"molecule_id","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.094","Br.095","C.","C.001","C.002","C.003","C.004","C.005","C.006","C.007","C.008","C.009","C.013","C.016","C.017","C.018","C.022","C.024","C.025","C.026","C.027","C.028","C.029","C.030","C.031","C.032","C.033","C.034","C.035","C.039","C.040","C.041","C.042","C.043","C.044","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AP","CATS2D_01_LL","CATS2D_01_PN","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AN","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_LL","CATS2D_02_PL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DP","CATS2D_03_LL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_PL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DP","CATS2D_05_LL","CATS2D_05_PL","CATS2D_05_PP","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AN","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DN","CATS2D_06_DP","CATS2D_06_LL","CATS2D_06_NL","CATS2D_06_PL","CATS2D_06_PN","CATS2D_06_PP","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_DN","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_PL","CATS2D_07_PN","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AN","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DN","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_PL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DN","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_PL","CATS2D_09_PP","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","Cl.090","CMC.80","cRo5","CSI","DBI","D.Dtr03","D.Dtr04","D.Dtr05","D.Dtr06","D.Dtr09","D.Dtr10","DECC","DELS","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.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","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.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","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.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","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.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.083","F.084","F.085","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.048","H.049","H.050","H.051","H.052","H.053","H.054","HDcpx","HNar","HVcpx","Hy","Hypertens.80","I.100","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.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.069","N.070","N.071","N.072","N.073","N.074","N.075","N.076","N.078","N.079","NaaaC","NaaCH","NaaN","NaasC","NaasN","nAB","nArCO","nArCONHR","nArCOOR","nArNH2","nArNHR","nArNO2","nArNR2","nArOH","nArOR","nArX","nAT","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCIC","nCIR","nCL","nCONN","nCp","nCq","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nDB","NddsN","NddssS","NdO","NdsCH","NdsN","NdssC","Neoplastic.80","nF","nH","nHAcc","nHDon","nHet","nHM","nI","nImidazoles","nN","nN.","nN.C.N.","nN.CO.2","NNRS","nO","nOHp","nOHs","nOxolanes","nPyridines","nPyrimidines","nPyrroles","nR03","nR04","nR05","nR06","nR10","nR.C.","nRCONHR","nR.Cs","nR.Ct","nRNH2","nROCON","nROH","nROR","NRS","nS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsNH2","nSO2N","nSO3","NsOH","NssCH2","NssNH","NssO","NsssCH","NsssN","NssssC","nTB","nTriazoles","NtsC","nX","O.","O.056","O.057","O.058","O.059","O.060","O.061","ON0","ON0V","ON1","ON1V","PCD","PCR","PDI","PHI","piID","piPC01","piPC02","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","PJI2","Pol","Psi_e_0","Psi_e_1","Psi_e_A","Psi_i_0","Psi_i_1","Psi_i_A","Psi_i_s","P_VSA_e_1","P_VSA_e_2","P_VSA_e_3","P_VSA_e_4","P_VSA_e_5","P_VSA_e_6","P_VSA_i_1","P_VSA_i_2","P_VSA_i_3","P_VSA_i_4","P_VSA_LogP_1","P_VSA_LogP_2","P_VSA_LogP_3","P_VSA_LogP_4","P_VSA_LogP_5","P_VSA_LogP_6","P_VSA_LogP_7","P_VSA_LogP_8","P_VSA_m_1","P_VSA_m_2","P_VSA_m_3","P_VSA_m_4","P_VSA_m_5","P_VSA_MR_1","P_VSA_MR_2","P_VSA_MR_3","P_VSA_MR_5","P_VSA_MR_6","P_VSA_MR_7","P_VSA_MR_8","P_VSA_p_1","P_VSA_p_2","P_VSA_p_3","P_VSA_p_4","P_VSA_s_1","P_VSA_s_2","P_VSA_s_3","P_VSA_s_4","P_VSA_s_5","P_VSA_s_6","P_VSA_v_1","P_VSA_v_2","P_VSA_v_3","P_VSA_v_4","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","Rbrid","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaasC","SaasN","SAdon","SAtot","SCBO","SddsN","SddssS","SdO","SdsCH","SdsN","SdssC","Se","Si","SIC0","SIC1","SIC2","SIC3","SIC4","SIC5","SM02_AEA.bo.","SM02_AEA.dm.","SM02_AEA.ed.","SM02_AEA.ri.","SM02_EA","SM02_EA.bo.","SM02_EA.dm.","SM02_EA.ed.","SM02_EA.ri.","SM03_AEA.bo.","SM03_AEA.dm.","SM03_AEA.ed.","SM03_AEA.ri.","SM03_EA","SM03_EA.bo.","SM03_EA.dm.","SM03_EA.ed.","SM03_EA.ri.","SM04_AEA.bo.","SM04_AEA.dm.","SM04_AEA.ed.","SM04_AEA.ri.","SM04_EA","SM04_EA.bo.","SM04_EA.dm.","SM04_EA.ed.","SM04_EA.ri.","SM05_AEA.bo.","SM05_AEA.dm.","SM05_AEA.ed.","SM05_AEA.ri.","SM05_EA","SM05_EA.bo.","SM05_EA.dm.","SM05_EA.ed.","SM05_EA.ri.","SM06_AEA.bo.","SM06_AEA.dm.","SM06_AEA.ed.","SM06_AEA.ri.","SM06_EA","SM06_EA.bo.","SM06_EA.dm.","SM06_EA.ed.","SM06_EA.ri.","SM07_AEA.bo.","SM07_AEA.dm.","SM07_AEA.ed.","SM07_AEA.ri.","SM07_EA","SM07_EA.bo.","SM07_EA.dm.","SM07_EA.ed.","SM07_EA.ri.","SM08_AEA.bo.","SM08_AEA.dm.","SM08_AEA.ed.","SM08_AEA.ri.","SM08_EA","SM08_EA.bo.","SM08_EA.dm.","SM08_EA.ed.","SM08_EA.ri.","SM09_AEA.bo.","SM09_AEA.dm.","SM09_AEA.ed.","SM09_AEA.ri.","SM09_EA","SM09_EA.bo.","SM09_EA.dm.","SM09_EA.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_AEA.ri.","SM10_EA","SM10_EA.bo.","SM10_EA.dm.","SM10_EA.ed.","SM10_EA.ri.","SM11_AEA.bo.","SM11_AEA.dm.","SM11_AEA.ed.","SM11_AEA.ri.","SM11_EA","SM11_EA.bo.","SM11_EA.dm.","SM11_EA.ed.","SM11_EA.ri.","SM12_AEA.bo.","SM12_AEA.dm.","SM12_AEA.ed.","SM12_AEA.ri.","SM12_EA","SM12_EA.bo.","SM12_EA.dm.","SM12_EA.ed.","SM12_EA.ri.","SM13_AEA.bo.","SM13_AEA.dm.","SM13_AEA.ed.","SM13_AEA.ri.","SM13_EA","SM13_EA.bo.","SM13_EA.dm.","SM13_EA.ed.","SM13_EA.ri.","SM14_AEA.bo.","SM14_AEA.dm.","SM14_AEA.ed.","SM14_AEA.ri.","SM14_EA","SM14_EA.bo.","SM14_EA.dm.","SM14_EA.ed.","SM14_EA.ri.","SM15_AEA.bo.","SM15_AEA.dm.","SM15_AEA.ed.","SM15_AEA.ri.","SM15_EA","SM15_EA.bo.","SM15_EA.dm.","SM15_EA.ed.","SM15_EA.ri.","SMTI","SMTIV","SNar","Sp","SpAD_AEA.bo.","SpAD_AEA.dm.","SpAD_AEA.ed.","SpAD_AEA.ri.","SpAD_EA","SpAD_EA.bo.","SpAD_EA.dm.","SpAD_EA.ed.","SpAD_EA.ri.","SpDiam_AEA.bo.","SpDiam_AEA.dm.","SpDiam_AEA.ed.","SpDiam_AEA.ri.","SpDiam_EA","SpDiam_EA.bo.","SpDiam_EA.dm.","SpDiam_EA.ed.","SpDiam_EA.ri.","SPI","SpMAD_AEA.bo.","SpMAD_AEA.dm.","SpMAD_AEA.ed.","SpMAD_AEA.ri.","SpMAD_EA","SpMAD_EA.bo.","SpMAD_EA.dm.","SpMAD_EA.ed.","SpMAD_EA.ri.","SpMax1_Bh.e.","SpMax1_Bh.i.","SpMax1_Bh.m.","SpMax1_Bh.p.","SpMax1_Bh.s.","SpMax1_Bh.v.","SpMax2_Bh.e.","SpMax2_Bh.i.","SpMax2_Bh.m.","SpMax2_Bh.p.","SpMax2_Bh.s.","SpMax2_Bh.v.","SpMax3_Bh.e.","SpMax3_Bh.i.","SpMax3_Bh.m.","SpMax3_Bh.p.","SpMax3_Bh.s.","SpMax3_Bh.v.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax4_Bh.m.","SpMax4_Bh.p.","SpMax4_Bh.s.","SpMax4_Bh.v.","SpMax5_Bh.e.","SpMax5_Bh.i.","SpMax5_Bh.m.","SpMax5_Bh.p.","SpMax5_Bh.s.","SpMax5_Bh.v.","SpMax6_Bh.e.","SpMax6_Bh.i.","SpMax6_Bh.m.","SpMax6_Bh.p.","SpMax6_Bh.s.","SpMax6_Bh.v.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMax7_Bh.m.","SpMax7_Bh.p.","SpMax7_Bh.s.","SpMax7_Bh.v.","SpMax8_Bh.e.","SpMax8_Bh.i.","SpMax8_Bh.m.","SpMax8_Bh.p.","SpMax8_Bh.s.","SpMax8_Bh.v.","SpMaxA_AEA.bo.","SpMaxA_AEA.dm.","SpMaxA_AEA.ed.","SpMaxA_AEA.ri.","SpMaxA_EA","SpMax_AEA.bo.","SpMaxA_EA.bo.","SpMax_AEA.dm.","SpMaxA_EA.dm.","SpMax_AEA.ed.","SpMaxA_EA.ed.","SpMax_AEA.ri.","SpMaxA_EA.ri.","SpMax_EA","SpMax_EA.bo.","SpMax_EA.dm.","SpMax_EA.ed.","SpMax_EA.ri.","SpMin1_Bh.e.","SpMin1_Bh.i.","SpMin1_Bh.m.","SpMin1_Bh.p.","SpMin1_Bh.s.","SpMin1_Bh.v.","SpMin2_Bh.e.","SpMin2_Bh.i.","SpMin2_Bh.m.","SpMin2_Bh.p.","SpMin2_Bh.s.","SpMin2_Bh.v.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.m.","SpMin3_Bh.p.","SpMin3_Bh.s.","SpMin3_Bh.v.","SpMin4_Bh.e.","SpMin4_Bh.i.","SpMin4_Bh.m.","SpMin4_Bh.p.","SpMin4_Bh.s.","SpMin4_Bh.v.","SpMin5_Bh.e.","SpMin5_Bh.i.","SpMin5_Bh.m.","SpMin5_Bh.p.","SpMin5_Bh.s.","SpMin5_Bh.v.","SpMin6_Bh.e.","SpMin6_Bh.i.","SpMin6_Bh.m.","SpMin6_Bh.p.","SpMin6_Bh.s.","SpMin6_Bh.v.","SpMin7_Bh.e.","SpMin7_Bh.i.","SpMin7_Bh.m.","SpMin7_Bh.p.","SpMin7_Bh.s.","SpMin7_Bh.v.","SpMin8_Bh.e.","SpMin8_Bh.i.","SpMin8_Bh.m.","SpMin8_Bh.p.","SpMin8_Bh.s.","SpMin8_Bh.v.","SRW02","SRW03","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsBr","SsCH3","SsCl","SsF","SsI","SsNH2","SsOH","SssCH2","SssNH","SssO","SsssCH","SsssN","SssssC","StsC","Sv","TIC0","TIC1","TIC2","TIC3","TIC4","TIC5","TIE","TPC","TPSA.NO.","TPSA.Tot.","TRS","TWC","Uc","Ui","Uindex","UNIP","VAR","Vindex","VvdwMG","VvdwZAZ","Vx","Wap","X.","X0","X0A","X0Av","X0sol","X0v","X1","X1A","X1Av","X1Kup","X1Mad","X1MulPer","X1Per","X1sol","X1v","X2","X2A","X2Av","X2sol","X2v","X3","X3A","X3Av","X3sol","X3v","X4","X4A","X4Av","X4sol","X4v","X5","X5A","X5Av","X5sol","X5v","Xindex","XMOD","Xt","Xu","Yindex","ZM1","ZM1Kup","ZM1Mad","ZM1MulPer","ZM1Per","ZM1V","ZM2","ZM2Kup","ZM2Mad","ZM2MulPer","ZM2Per","ZM2V","pXC50"
{1 2.061,2 12.594,3 -0.998,4 0.996,5 104.979,6 9.561,7 0.457,8 4.074,9 4.153,10 3.946,11 3.491,12 5.341,13 3.551,14 4.616,15 4.72,16 4.271,17 3.874,18 6.142,19 3.933,20 4.86,21 4.996,22 4.358,23 3.969,24 6.31,25 4.014,26 4.926,27 5.084,28 4.352,29 3.926,30 6.537,31 3.966,32 4.84,33 5.006,34 4.3,35 3.878,36 6.248,37 3.889,38 4.794,39 4.929,40 4.275,41 3.787,42 6.512,43 3.843,44 4.718,45 4.87,46 4.036,47 3.682,48 6.311,49 3.712,50 4.565,51 4.735,52 3.905,53 3.596,54 6.027,55 3.604,56 0.416,57 0.843,58 9.194,59 4.097,60 64.635,61 3.687,62 1.115,63 1.269,64 15.02,65 6.905,66 122.472,67 6.611,68 1.582,69 1.467,70 25.686,71 9.116,72 189.037,73 9.036,74 1.931,75 1.411,76 29.455,77 8.836,78 262.624,79 8.826,80 1.601,81 1.273,82 31.252,83 9.015,84 192.797,85 8.945,86 1.736,87 1.108,88 30.477,89 8.219,90 262.263,91 7.956,92 1.587,93 0.998,94 24.666,95 7.098,96 212.88,97 7.023,98 1.184,99 0.966,100 21.531,101 6.473,102 177.314,103 6.927,104 50,105 52,106 0.345,107 0.737,108 0.855,109 0.905,110 0.919,111 0.919,112 3.502,113 0.899,114 -2.47,115 -2.5,116 -2.45,119 34.7,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,160 1,162 1,163 5,165 1,166 4,168 3,169 1,170 1,171 4,172 1,173 1,175 2,177 6,178 5,180 2,181 4,183 2,187 3,188 4,190 4,192 1,197 1,198 6,200 1,201 5,202 1,211 5,212 4,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 4,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.189,254 11.847,255 21.462,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 22.802,263 5.543,264 18.191,265 3.554,266 1.21,267 0.505,268 0.204,269 0.122,270 0.122,271 4.188,275 1,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 74.438,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 75.5,295 403,296 4.705,297 4.474,298 6.924,299 4.244,300 3.303,301 4.581,302 1.579,303 11.611,304 3.208,305 4.641,306 3.589,307 6.764,308 4.206,309 3.232,310 4.489,311 1.041,312 11.104,313 3.041,314 4.278,315 3.568,316 6.528,317 3.939,318 2.998,319 3.899,320 0.98,321 10.114,322 2.84,323 4.14,324 3.128,325 6.341,326 3.865,327 2.882,328 3.324,330 9.48,331 2.8,332 3.661,333 2.876,334 5.891,335 3.314,336 2.388,337 2.92,339 7.931,340 2.203,341 3.357,342 2.595,343 5.237,344 2.92,345 1.942,346 2.592,347 5.876,348 1.888,349 3.058,350 2.244,351 4.867,352 2.82,353 1.882,354 2.324,355 5.162,356 1.747,357 3.03,358 1.969,359 4.783,360 2.483,361 1.59,362 2.112,363 4.71,364 1.415,365 2.861,366 1.664,367 4.144,368 2.444,369 1.542,370 2.015,371 3.671,372 1.386,373 2.733,374 1.549,375 4.069,376 2.381,377 1.414,378 1.763,379 3.07,380 1.353,381 2.55,382 1.469,383 3.894,384 2.051,385 1.048,386 1.512,387 2.926,388 1.045,389 2.413,390 1.315,391 3.605,392 1.945,393 1.038,394 1.386,395 2.615,396 0.937,397 2.101,398 1.239,399 3.439,400 1.666,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.898,407 3.303,408 1.553,409 0.69,410 0.728,411 1.679,412 0.589,413 1.1,414 0.75,415 2.937,416 0.829,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.352,422 0.449,423 1.082,424 0.034,425 41.75,426 1.305,427 19,428 0.594,429 22.75,430 0.711,431 26.071,432 0.815,433 36.648,434 0.748,435 37.722,436 1.179,437 8.421,438 0.263,439 6.755,440 0.211,441 0.164,442 0.058,443 0.376,445 1,447 0.822,448 1.408,449 0.726,450 1.37,451 0.811,452 0.903,453 0.795,454 0.957,455 0.803,456 0.936,457 0.662,458 0.916,459 1.029,460 1.178,461 0.988,462 1.135,463 0.942,464 1.061,465 1.101,466 0.894,467 1.053,468 0.926,469 1.027,470 0.987,471 1.055,472 0.907,473 1.137,474 1.077,475 1.05,476 0.968,477 1.059,478 0.932,479 1.273,480 1.248,481 1.054,482 1.027,483 1.168,484 0.712,485 1.215,486 0.905,487 1.2,488 1.05,489 1.152,490 1.037,491 1.121,492 1.111,493 1.202,494 1.116,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 56963,507 2.019,508 34.7,510 9,511 1,512 2,513 5,518 1.743,519 1.837,520 3.593,521 2.562,524 100.986,525 2.061,526 4.405,527 5.11,528 5.411,529 5.492,530 5.492,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 275.121,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.129,558 -0.254,559 0.15,560 -0.163,561 -0.185,562 0.032,563 0.083,564 0.078,565 -0.043,566 0.03,567 0.079,568 -0.035,569 -0.044,570 -0.2,571 -0.041,572 -0.122,573 -0.055,574 -0.096,575 -0.023,576 0.062,577 -0.047,578 0.025,579 0.039,580 -0.048,581 -0.058,582 -0.008,583 0.039,584 0.015,585 -0.099,586 0.042,587 0.062,588 -0.026,589 -0.09,590 -0.135,591 0.127,592 -0.062,593 -0.089,594 0.064,595 -0.205,596 0.024,597 -0.082,598 -0.118,599 -0.164,600 -0.121,601 -0.077,602 -0.099,603 -0.138,604 -0.1,605 5.598,606 5.653,607 0.625,608 32.086,609 1.057,610 1.147,611 1.245,612 1.55,613 0.661,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.671,626 468.47,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 12.2,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,665 1,666 49,667 19,668 1,669 35,671 52,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,698 1,699 1,700 17,701 13,702 5,703 15,704 1,706 1,707 6,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,737 1,739 32,740 1,742 1,743 2,744 1,745 1,746 2,747 4,753 1,754 14.3,755 2,757 3,758 2,761 17.417,762 8.26,763 6.833,764 2.459,765 2.842,766 1.364,767 0.927,768 6.09,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.606,783 6.326,784 8.477,785 21.16,786 17.701,787 2.977,788 95.25,789 141.253,790 90.444,791 101.558,793 174.37,794 14.96,795 7.511,796 82.933,797 315.623,798 116.518,800 20.997,801 163.68,802 177.941,803 24.968,804 29.059,805 105.94,807 141.253,808 184.491,809 189.33,810 7.511,812 156.213,813 69.458,814 104.912,815 43.993,816 90.141,817 57.868,819 156.213,820 275.928,821 90.444,823 7.511,824 141.253,825 27.791,826 57.041,827 16.405,828 272.584,829 141.253,830 290.888,831 90.444,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.115,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.479,850 8.67,851 4.454,852 0.469,853 288.989,854 7.223,855 11.849,856 -1.323,857 1.301,858 134.669,859 522.586,860 46,862 -4.681,863 36.131,866 -1.24,867 51.793,868 56.207,869 0.367,870 0.785,871 0.91,872 0.964,873 0.978,874 0.978,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.31,882 6.969,883 4.542,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.381,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.87,900 11.204,901 6.173,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.792,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.593,918 15.771,919 8.135,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.058,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.417,936 20.478,937 10.254,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.297,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.291,954 25.251,955 12.444,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.536,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.188,972 30.058,973 14.668,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.782,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.095,990 34.886,991 16.913,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.038,1001 13815,1002 27586,1003 22.482,1004 32.369,1005 53.801,1006 56.352,1007 56.379,1008 53.423,1009 53.442,1010 69.277,1011 7.2,1012 163.554,1013 50.28,1014 5.683,1015 6.474,1016 6.609,1017 5.36,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.208,1023 19.512,1024 1.537,1025 1.61,1026 1.611,1027 1.526,1028 1.527,1029 1.979,1030 0.206,1031 4.673,1032 1.437,1033 4.109,1034 4.157,1035 4.709,1036 3.924,1037 8.201,1038 3.948,1039 3.989,1040 3.982,1041 4.08,1042 3.874,1043 7.724,1044 3.865,1045 3.857,1046 3.851,1047 3.868,1048 3.764,1049 7.427,1050 3.689,1051 3.753,1052 3.743,1053 3.711,1054 3.578,1055 6.999,1056 3.57,1057 3.341,1058 3.42,1059 3.267,1060 3.088,1061 6.494,1062 3.12,1063 3.205,1064 3.228,1065 3.171,1066 2.985,1067 6.4,1068 3.008,1069 3.077,1070 3.107,1071 2.969,1072 2.854,1073 5.271,1074 2.857,1075 2.989,1076 3.091,1077 2.878,1078 2.733,1079 4.856,1080 2.734,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 4.474,1089 0.045,1090 6.924,1091 0.332,1092 4.244,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.208,1099 1.897,1100 1.881,1101 1.988,1102 2.008,1103 1.172,1104 2.006,1105 1.797,1106 1.751,1107 1.849,1108 2.005,1109 1.062,1110 1.965,1111 1.646,1112 1.676,1113 1.777,1114 1.858,1115 0.997,1116 1.868,1117 1.554,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.441,1124 1.418,1125 1.366,1126 1.682,1127 0.569,1128 1.679,1129 1.128,1130 1.079,1131 1.319,1132 1.427,1133 0.406,1134 1.399,1135 1.016,1136 1.013,1137 1.148,1138 1.262,1139 0.204,1140 1.232,1141 0.859,1142 0.804,1143 1.12,1144 1.222,1145 0.145,1146 1.208,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1159 13.653,1161 5.72,1162 20.636,1163 -0.752,1164 1.558,1165 10.23,1166 -5.526,1170 32.863,1171 100.986,1172 215.837,1173 250.366,1174 265.121,1175 269.121,1176 269.121,1177 97.192,1178 7.817,1179 191.78,1180 200.16,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 201.916,1190 351.51,1191 484.435,1192 28622,1193 2,1194 23.043,1195 0.72,1196 0.528,1197 22.423,1198 16.885,1199 15.176,1200 0.434,1201 0.3,1202 8.942,1203 13.417,1204 8.793,1205 7.153,1206 15.619,1207 10.492,1208 14.665,1209 0.282,1210 0.156,1211 15.447,1212 8.127,1213 12.209,1214 0.177,1215 0.081,1216 12.603,1217 5.604,1218 10.121,1219 0.112,1220 0.043,1221 10.508,1222 3.862,1223 7.362,1224 0.07,1225 0.024,1226 7.989,1227 2.504,1228 0.277,1229 107.431,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 744.174,1235 242.057,1236 685.683,1237 898.21,1238 630,1239 208,1240 607.286,1241 287.927,1242 634.244,1243 938.57,1244 593,1245 7.42}
{0 CHEMBL1162031,1 2.061,2 12.594,3 -0.539,4 0.29,5 109.567,6 9.896,7 0.457,8 4.071,9 4.147,10 3.972,11 3.519,12 5.309,13 3.564,14 4.613,15 4.713,16 4.309,17 3.912,18 6.111,19 3.951,20 4.854,21 4.984,22 4.411,23 4.026,24 6.261,25 4.039,26 4.919,27 5.07,28 4.415,29 3.976,30 6.458,31 3.991,32 4.835,33 4.998,34 4.351,35 3.922,36 6.226,37 3.904,38 4.788,39 4.918,40 4.348,41 3.815,42 6.406,43 3.863,44 4.716,45 4.867,46 4.06,47 3.705,48 6.3,49 3.723,50 4.559,51 4.723,52 3.937,53 3.64,54 5.995,55 3.622,56 0.387,57 0.778,58 8.499,59 4.178,60 57.053,61 3.628,62 1.073,63 1.164,64 14.238,65 7.004,66 113.831,67 6.622,68 1.484,69 1.312,70 26.246,71 9.639,72 166.729,73 9.373,74 1.771,75 1.29,76 31.685,77 9.448,78 221.329,79 9.122,80 1.516,81 1.198,82 34.906,83 9.703,84 165.414,85 9.32,86 1.554,87 1.096,88 31.738,89 8.776,90 211.54,91 7.848,92 1.55,93 1,94 23.992,95 7.471,96 200.761,97 6.974,98 1.09,99 0.907,100 23.064,101 6.957,102 153.337,103 7.252,104 50,105 52,106 0.345,107 0.737,108 0.855,109 0.905,110 0.919,111 0.919,112 3.502,113 0.932,114 -2.59,115 -2.61,116 -2.55,119 34.7,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,160 1,162 1,163 5,165 1,166 6,168 3,169 1,170 1,171 4,172 1,173 1,175 4,177 6,178 6,180 2,181 4,183 3,185 1,187 3,188 4,190 4,192 1,197 1,198 9,200 1,201 5,202 1,211 5,212 4,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 4,237 1,238 4,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.162,254 11.847,255 21.522,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 22.773,263 5.543,264 18.317,265 3.554,266 1.21,267 0.505,268 0.204,269 0.122,270 0.122,271 4.188,272 1,275 1,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 67.79,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 74.333,295 403,296 4.705,297 4.474,298 6.924,299 4.243,300 3.303,301 4.581,302 1.579,303 11.611,304 3.204,305 4.641,306 3.59,307 6.764,308 4.205,309 3.232,310 4.489,311 1.041,312 11.104,313 3.041,314 4.278,315 3.57,316 6.528,317 3.938,318 2.998,319 3.899,320 0.98,321 10.114,322 2.811,323 4.14,324 3.128,325 6.341,326 3.85,327 2.882,328 3.324,330 9.48,331 2.776,332 3.661,333 2.894,334 5.891,335 3.314,336 2.388,337 2.92,339 7.931,340 2.203,341 3.357,342 2.595,343 5.237,344 2.901,345 1.942,346 2.592,347 5.876,348 1.831,349 3.058,350 2.245,351 4.867,352 2.819,353 1.882,354 2.324,355 5.162,356 1.746,357 3.03,358 1.969,359 4.783,360 2.483,361 1.59,362 2.112,363 4.71,364 1.415,365 2.861,366 1.673,367 4.144,368 2.444,369 1.542,370 2.015,371 3.671,372 1.386,373 2.733,374 1.549,375 4.069,376 2.351,377 1.414,378 1.763,379 3.07,380 1.254,381 2.55,382 1.469,383 3.894,384 2.051,385 1.048,386 1.512,387 2.926,388 1.045,389 2.413,390 1.315,391 3.605,392 1.945,393 1.038,394 1.386,395 2.615,396 0.937,397 2.101,398 1.239,399 3.439,400 1.666,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.898,407 3.303,408 1.553,409 0.69,410 0.728,411 1.679,412 0.589,413 1.1,414 0.75,415 2.937,416 0.826,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.781,422 0.462,423 1.082,424 0.034,425 41.75,426 1.305,427 19,428 0.594,429 22.75,430 0.711,431 26.993,432 0.844,433 36.219,434 0.739,435 36.799,436 1.15,437 8.29,438 0.259,439 6.886,440 0.215,441 0.188,442 0.056,443 0.365,447 0.858,448 1.571,449 0.662,450 1.275,451 0.869,452 0.862,453 0.814,454 0.965,455 0.738,456 0.853,457 0.674,458 0.873,459 1.028,460 1.169,461 0.964,462 1.067,463 0.936,464 1.033,465 1.122,466 0.917,467 1.053,468 0.967,469 1.057,470 1.001,471 1.089,472 0.95,473 1.028,474 1.027,475 1.09,476 0.968,477 1.186,478 1.052,479 1.11,480 1.282,481 1.265,482 1.011,483 1.281,484 0.788,485 1.018,486 0.848,487 1.389,488 1.009,489 1.16,490 1.084,491 1.113,492 1.126,493 1.225,494 1.131,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 56963,507 2.019,508 34.7,510 9,511 1,512 2,513 5,518 1.743,519 1.837,520 3.593,521 2.562,524 100.986,525 2.061,526 4.405,527 5.11,528 5.411,529 5.492,530 5.492,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 275.121,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.135,558 -0.291,559 0.109,560 -0.151,561 -0.215,562 0.032,563 0.111,564 0.171,565 -0.035,566 0.072,567 0.106,568 -0.018,569 -0.023,570 -0.167,571 -0.042,572 -0.069,573 -0.041,574 -0.077,575 -0.03,576 0.038,577 -0.05,578 -0.008,579 0.026,580 -0.058,581 -0.046,582 0.022,583 0.044,584 0.053,585 -0.077,586 0.033,587 -0.004,588 -0.089,589 -0.028,590 -0.183,591 0.025,592 -0.055,593 -0.088,594 0.138,595 -0.157,596 0.069,597 -0.079,598 -0.096,599 -0.153,600 -0.147,601 -0.107,602 -0.117,603 -0.113,604 -0.118,605 5.49,606 5.15,607 0.625,608 32.086,609 1.053,610 1.139,611 1.363,612 1.858,613 0.679,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.68,626 484.92,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 12.2,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,665 1,666 49,667 19,668 1,669 35,671 52,672 17,673 11,674 2,675 4,676 1,677 4,678 5,679 1,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 17,701 12,702 5,703 15,704 2,706 1,707 6,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,736 1,739 32,740 1,742 1,743 2,744 1,745 1,746 2,747 4,753 1,754 14.3,755 2,757 3,758 2,761 17.417,762 8.26,763 6.833,764 2.459,765 2.842,766 1.364,767 0.927,768 6.33,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.478,783 6.142,784 8.355,785 21.3,786 17.809,787 2.855,788 91.361,789 141.253,790 84.824,791 101.558,792 39.149,793 174.37,795 7.511,796 77.313,797 354.772,798 101.558,800 20.997,801 163.68,802 177.941,803 19.348,804 14.099,805 105.94,806 39.149,807 141.253,808 178.871,809 174.37,810 46.66,812 141.253,813 69.458,814 104.912,815 43.993,816 84.521,817 97.017,819 141.253,820 275.928,821 123.973,823 7.511,824 141.253,825 22.171,826 57.041,827 16.405,828 296.772,829 141.253,830 275.928,831 123.973,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.115,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.817,850 8.877,851 4.582,852 0.511,853 274.029,854 8.338,855 11.904,856 0.099,857 1.328,858 134.669,859 541.154,860 46,862 -4.573,863 36.445,866 -0.997,867 51.604,868 55.811,869 0.367,870 0.785,871 0.91,872 0.964,873 0.978,874 0.978,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.31,882 6.969,883 4.529,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.358,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.87,900 11.204,901 6.155,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.767,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.593,918 15.771,919 8.113,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.032,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.417,936 20.478,937 10.228,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.269,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.291,954 25.251,955 12.415,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.506,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.188,972 30.058,973 14.638,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.751,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.095,990 34.886,991 16.881,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.006,1001 13815,1002 27586,1003 22.482,1004 33.29,1005 53.801,1006 56.386,1007 56.379,1008 53.525,1009 53.442,1010 69.277,1011 7.2,1012 163.554,1013 49.849,1014 5.683,1015 6.474,1016 6.609,1017 5.36,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.204,1023 19.512,1024 1.537,1025 1.611,1026 1.611,1027 1.529,1028 1.527,1029 1.979,1030 0.206,1031 4.673,1032 1.424,1033 4.109,1034 4.157,1035 4.71,1036 3.929,1037 7.725,1038 3.948,1039 3.987,1040 3.975,1041 4.081,1042 3.88,1043 7.427,1044 3.873,1045 3.854,1046 3.848,1047 4.005,1048 3.772,1049 6.999,1050 3.69,1051 3.753,1052 3.742,1053 3.711,1054 3.578,1055 6.494,1056 3.571,1057 3.341,1058 3.42,1059 3.312,1060 3.088,1061 6.4,1062 3.12,1063 3.205,1064 3.228,1065 3.266,1066 2.987,1067 5.271,1068 3.008,1069 3.076,1070 3.107,1071 3.169,1072 2.855,1073 4.915,1074 2.857,1075 2.989,1076 3.09,1077 2.969,1078 2.795,1079 4.856,1080 2.767,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 4.474,1089 0.045,1090 6.924,1091 0.332,1092 4.243,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.204,1099 1.9,1100 1.886,1101 1.978,1102 2.008,1103 1.172,1104 2,1105 1.797,1106 1.751,1107 1.849,1108 1.99,1109 1.075,1110 1.965,1111 1.646,1112 1.676,1113 1.777,1114 1.855,1115 0.997,1116 1.867,1117 1.554,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.441,1124 1.418,1125 1.366,1126 1.681,1127 0.569,1128 1.679,1129 1.128,1130 1.079,1131 1.319,1132 1.427,1133 0.406,1134 1.399,1135 1.016,1136 1.014,1137 1.148,1138 1.261,1139 0.204,1140 1.231,1141 0.868,1142 0.824,1143 1.11,1144 1.222,1145 0.152,1146 1.208,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1158 5.878,1161 5.735,1162 20.696,1163 -0.691,1164 1.713,1165 10.348,1166 -5.374,1170 33.307,1171 100.986,1172 215.837,1173 250.366,1174 265.121,1175 269.121,1176 269.121,1177 90.431,1178 7.817,1179 191.78,1180 200.16,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 209.051,1190 360.65,1191 501.844,1192 28622,1193 2,1194 23.043,1195 0.72,1196 0.551,1197 23.793,1198 17.641,1199 15.176,1200 0.434,1201 0.311,1202 8.997,1203 13.237,1204 8.793,1205 7.153,1206 16.319,1207 10.87,1208 14.665,1209 0.282,1210 0.164,1211 16.345,1212 8.534,1213 12.209,1214 0.177,1215 0.086,1216 13.416,1217 5.933,1218 10.121,1219 0.112,1220 0.045,1221 11.322,1222 4.084,1223 7.362,1224 0.07,1225 0.025,1226 8.293,1227 2.64,1228 0.277,1229 109.741,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 684.266,1235 253.745,1236 685.683,1237 898.21,1238 630,1239 208,1240 590.815,1241 296.145,1242 634.244,1243 938.57,1244 593,1245 4.742}
{0 CHEMBL1162032,1 2.074,2 12.697,3 -0.806,4 0.65,5 111.261,6 10.018,7 0.444,8 4.098,9 4.169,10 3.997,11 3.526,12 5.371,13 3.582,14 4.629,15 4.724,16 4.343,17 3.922,18 6.147,19 3.973,20 4.881,21 5.001,22 4.47,23 4.035,24 6.348,25 4.07,26 4.957,27 5.102,28 4.421,29 4.003,30 6.528,31 4.024,32 4.885,33 5.045,34 4.39,35 3.931,36 6.322,37 3.936,38 4.818,39 4.948,40 4.369,41 3.849,42 6.464,43 3.881,44 4.761,45 4.899,46 4.222,47 3.727,48 6.428,49 3.769,50 4.574,51 4.735,52 3.958,53 3.636,54 6.023,55 3.636,56 0.454,57 0.785,58 8.483,59 4.22,60 68.524,61 3.506,62 1.127,63 1.172,64 13.799,65 7.066,66 123.168,67 6.492,68 1.624,69 1.329,70 26.183,71 9.657,72 187.858,73 9.098,74 1.928,75 1.317,76 30.632,77 9.667,78 252.708,79 9.194,80 1.706,81 1.225,82 33.225,83 9.589,84 197.53,85 9.329,86 1.687,87 1.105,88 35.019,89 9.252,90 249.876,91 8.35,92 1.758,93 1,94 26.538,95 7.66,96 229.877,97 6.882,98 1.176,99 0.917,100 20.462,101 6.762,102 171.448,103 6.939,104 65,105 54,106 0.346,107 0.758,108 0.876,109 0.914,110 0.921,111 0.921,112 3.532,113 0.917,114 -2.67,115 -2.68,116 -2.61,119 34,125 1,127 3,128 1,134 3,135 1,136 2,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 3,159 7,160 1,162 1,163 5,165 2,166 3,168 3,169 1,170 1,171 4,172 1,173 4,175 3,177 6,178 4,180 2,181 5,182 1,183 2,185 1,187 3,188 5,190 4,192 2,197 1,198 3,200 1,201 8,202 1,211 5,212 7,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 2,237 1,238 5,240 2,246 1864,247 21.413,248 21.413,249 21.413,250 21.413,251 21.413,252 18.95,253 21.083,254 11.991,255 22.051,256 17.642,257 17.642,258 17.642,259 17.642,260 17.642,261 13.883,262 23.506,263 5.587,264 18.853,265 3.57,266 1.098,267 0.39,268 0.16,269 0.12,270 0.12,271 4.216,272 1,276 902,277 4.183,280 176.033,281 224.383,282 147.83,284 1.967,285 74.95,286 0.25,287 0.5,288 0.5,289 0.3,291 0.33,292 0.5,293 0.34,294 77.333,295 419,296 4.706,297 4.473,298 6.924,299 4.247,300 3.304,301 4.581,302 1.579,303 11.611,304 3.21,305 4.641,306 3.592,307 6.773,308 4.208,309 3.238,310 4.489,311 1.041,312 11.123,313 3.041,314 4.384,315 3.573,316 6.531,317 3.962,318 3.009,319 4.055,320 0.98,321 10.118,322 2.886,323 4.14,324 3.129,325 6.501,326 3.927,327 2.975,328 3.324,330 9.978,331 2.803,332 3.662,333 3.117,334 5.892,335 3.315,336 2.39,337 2.926,339 7.931,340 2.203,341 3.615,342 2.595,343 5.467,344 3.182,345 2.239,346 2.913,347 6.643,348 2.046,349 3.058,350 2.245,351 5.236,352 2.826,353 1.9,354 2.324,355 5.87,356 1.749,357 3.03,358 2.093,359 4.787,360 2.484,361 1.591,362 2.112,363 4.715,364 1.416,365 2.871,366 1.969,367 4.3,368 2.444,369 1.542,370 2.035,371 3.671,372 1.386,373 2.773,374 1.549,375 4.143,376 2.394,377 1.414,378 1.798,379 3.578,380 1.379,381 2.73,382 1.542,383 4.068,384 2.269,385 1.312,386 1.754,387 3.151,388 1.201,389 2.413,390 1.469,391 3.846,392 1.945,393 1.04,394 1.386,395 2.925,396 0.937,397 2.101,398 1.239,399 3.518,400 1.666,401 0.771,402 0.996,403 1.83,404 0.688,405 1.772,406 0.9,407 3.304,408 1.555,409 0.695,410 0.73,411 1.698,412 0.591,413 1.338,414 0.836,415 2.989,416 0.948,417 0.119,418 0.137,419 0.269,420 0.086,421 15.114,422 0.458,423 1.171,424 0.035,425 43,426 1.303,427 19.5,428 0.591,429 23.5,430 0.712,431 28.155,432 0.853,433 37.686,434 0.754,435 39.147,436 1.186,437 8.546,438 0.259,439 7.042,440 0.213,441 0.206,442 0.055,443 0.39,447 0.914,448 1.562,449 0.674,450 1.257,451 0.917,452 0.841,453 0.819,454 0.986,455 0.728,456 0.864,457 0.681,458 0.861,459 1.008,460 1.201,461 0.946,462 1.122,463 0.919,464 1.052,465 1.124,466 0.928,467 1.047,468 0.937,469 1.047,470 1.019,471 1.035,472 0.952,473 1.025,474 1.075,475 1.057,476 0.976,477 1.118,478 1.052,479 1.092,480 1.215,481 1.168,482 1.015,483 1.184,484 0.786,485 1.045,486 0.935,487 1.296,488 1.023,489 1.138,490 1.102,491 0.928,492 1.058,493 1.213,494 1.093,495 8,496 0.296,497 5.556,498 3.736,499 2.407,500 1.406,501 1.043,502 0.578,503 0.389,504 0.333,505 15646,506 64210,507 2.001,508 34,510 8,511 1,512 2,513 6,518 1.751,519 1.808,520 3.617,521 3.367,524 103.709,525 2.074,526 4.546,527 5.254,528 5.484,529 5.524,530 5.524,531 3.037,532 4.802,533 5.02,534 3.827,535 2020.52,536 8.778,537 30487.5,539 282.193,540 1.71,541 4.933,542 0.222,543 0.009,544 0.103,545 0.067,546 0.047,547 0.031,548 0.023,549 0.015,550 0.012,551 0.01,552 0.539,553 0.17,554 0.75,555 0.648,556 175.964,557 -0.176,558 -0.273,559 0.092,560 -0.12,561 -0.233,562 0.054,563 0.077,564 0.167,565 -0.032,566 0.073,567 0.084,568 -0.003,569 -0.019,570 -0.185,571 -0.035,572 -0.119,573 -0.027,574 -0.099,575 -0.062,576 0.033,577 -0.096,578 0.013,579 0.009,580 -0.076,581 -0.015,582 0.016,583 0.044,584 -0.004,585 -0.059,586 0.036,587 0.009,588 -0.077,589 -0.019,590 -0.088,591 0.056,592 -0.039,593 -0.004,594 0.129,595 -0.082,597 -0.02,598 -0.102,599 -0.157,600 -0.149,601 -0.034,602 -0.072,603 -0.128,604 -0.083,605 5.598,606 5.163,607 0.606,608 33.499,609 1.059,610 1.14,611 1.436,612 2.063,613 0.675,614 3.611,615 4.007,616 4.29,617 4.543,618 4.7,619 4.796,620 4.905,621 4.997,622 5.024,623 5.037,624 7.658,625 0.68,626 500.92,627 3.611,628 5.198,629 6.071,630 6.98,631 7.867,632 8.778,633 9.673,634 10.584,635 11.483,636 12.395,637 12,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,665 1,666 50,667 19,668 1,669 36,671 53,672 17,673 11,674 3,675 3,676 1,677 4,678 5,679 1,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 17,701 13,702 6,703 16,704 2,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,736 1,739 33,740 1,742 1,743 3,744 1,745 1,746 2,747 4,753 1,754 16,755 2,756 1,757 3,758 2,761 18.25,762 8.376,763 7.028,764 2.461,765 2.87,766 1.364,767 0.909,768 6.542,769 10.76,770 3.871,771 4.53,772 5.047,773 5.608,774 6.033,775 6.29,776 6.604,777 6.874,778 6.878,779 6.978,780 1,781 56,782 12.943,783 6.469,784 8.44,785 21.775,786 18.225,787 2.94,788 97.028,789 129.482,790 75.348,791 101.558,792 39.149,793 217.053,795 7.511,796 67.837,797 385.684,798 101.558,800 20.997,801 154.204,802 220.624,803 19.348,804 14.099,805 94.169,806 39.149,807 129.482,808 169.394,809 217.053,810 46.66,812 129.482,813 112.141,814 104.912,815 43.993,816 75.045,817 97.017,819 129.482,820 318.611,821 114.496,823 7.511,824 129.482,825 22.171,826 47.565,827 16.405,828 339.456,829 129.482,830 318.611,831 114.496,833 0.606,834 0.361,835 0.185,836 0.093,837 27,838 14,839 0.113,840 6,841 1,842 1.1,843 4.239,844 309.335,845 0.1,846 20,847 161.71,848 1,849 23.745,850 9.092,851 4.654,852 0.471,853 316.712,854 6.258,855 11.869,856 -1.054,857 1.305,858 177.352,859 562.59,860 47,862 -4.681,863 36.49,866 -1.192,867 52.931,868 57.02,869 0.368,870 0.805,871 0.931,872 0.972,873 0.979,874 0.979,875 5.159,876 1.591,877 6.125,878 5.87,879 4.691,880 5.218,881 2.31,882 7.02,883 4.563,884 6.417,885 1.542,886 7.753,887 4.715,888 4.575,889 5.38,891 8.209,892 4.418,893 7.782,894 1.414,895 9.484,896 3.671,897 6.418,898 7.544,899 2.87,900 11.262,901 6.198,902 9.186,903 1.312,904 11.272,905 3.578,906 7.074,907 8.496,909 13.199,910 6.824,911 10.621,912 1.04,913 13.093,914 3.151,915 8.463,916 10.228,917 3.593,918 15.826,919 8.162,920 12.078,921 0.771,922 14.937,923 2.925,924 9.424,925 11.496,927 18.042,928 9.089,929 13.551,930 0.695,931 16.795,932 1.83,933 10.661,934 13.083,935 4.417,936 20.532,937 10.283,938 3.304,939 0.119,940 18.665,941 1.698,942 11.743,943 14.483,945 22.86,946 11.328,947 3.238,948 11.611,949 20.543,950 0.269,951 12.93,952 16.016,953 5.291,954 25.301,955 12.475,956 3.009,957 11.123,958 22.427,959 4.581,960 14.061,961 17.473,963 27.679,964 13.568,965 2.975,966 10.118,967 24.316,968 4.489,969 15.233,970 18.987,971 6.188,972 30.105,973 14.701,974 2.39,975 9.978,976 26.209,977 4.055,978 16.385,979 20.47,981 32.505,982 15.815,983 2.239,984 7.931,985 28.105,986 3.324,987 17.553,988 21.978,989 7.095,990 34.928,991 16.946,992 1.9,993 6.643,994 30.004,995 2.926,996 18.715,997 23.473,999 37.342,1000 18.071,1001 14979,1002 30523,1003 22.887,1004 33.744,1005 55.306,1006 58.493,1007 58.581,1008 54.993,1009 55.08,1010 71.118,1011 7.2,1012 170.224,1013 51.244,1014 5.685,1015 6.473,1016 6.453,1017 5.363,1018 5.304,1019 7.581,1020 3.158,1021 19.32,1022 5.21,1023 21.408,1024 1.536,1025 1.625,1026 1.627,1027 1.528,1028 1.53,1029 1.975,1030 0.2,1031 4.728,1032 1.423,1033 4.109,1034 4.157,1035 4.71,1036 3.928,1037 7.725,1038 3.949,1039 3.989,1040 3.975,1041 4.081,1042 3.878,1043 7.428,1044 3.874,1045 3.858,1046 3.848,1047 4.01,1048 3.772,1049 6.999,1050 3.691,1051 3.754,1052 3.742,1053 3.711,1054 3.579,1055 6.495,1056 3.571,1057 3.341,1058 3.42,1059 3.42,1060 3.089,1061 6.468,1062 3.121,1063 3.209,1064 3.227,1065 3.265,1066 3.001,1067 6.4,1068 3.02,1069 3.078,1070 3.107,1071 3.054,1072 2.856,1073 5.271,1074 2.858,1075 2.989,1076 3.091,1077 2.967,1078 2.795,1079 4.857,1080 2.79,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.706,1087 0.127,1088 4.473,1089 0.044,1090 6.924,1091 0.323,1092 4.247,1093 0.089,1094 3.304,1095 4.581,1096 1.579,1097 11.611,1098 3.21,1099 1.892,1100 1.884,1101 1.952,1102 2.008,1103 1.172,1104 1.993,1105 1.797,1106 1.751,1107 1.849,1108 1.992,1109 1.062,1110 1.965,1111 1.645,1112 1.676,1113 1.777,1114 1.855,1115 0.997,1116 1.864,1117 1.554,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.44,1124 1.418,1125 1.362,1126 1.68,1127 0.567,1128 1.678,1129 1.127,1130 1.079,1131 1.31,1132 1.425,1133 0.405,1134 1.398,1135 1.013,1136 1.014,1137 1.148,1138 1.258,1139 0.174,1140 1.229,1141 0.864,1142 0.842,1143 1.077,1144 1.222,1145 0.124,1146 1.207,1147 4.29,1149 5.666,1150 3.045,1151 7.222,1152 5.476,1153 8.856,1154 7.627,1155 10.531,1158 5.707,1161 5.729,1162 30.506,1163 -0.747,1164 1.606,1165 10.286,1166 -5.524,1170 34.022,1171 103.709,1172 227.299,1173 262.683,1174 274.193,1175 276.193,1176 276.193,1177 101.872,1178 7.89,1179 212.01,1180 220.39,1181 22,1182 12.911,1183 4.322,1184 3.585,1185 54.559,1186 154,1187 129,1188 0.172,1189 213.047,1190 369.44,1191 511.595,1192 31509,1193 2,1194 23.913,1195 0.725,1196 0.546,1197 24.663,1198 18.011,1199 15.587,1200 0.433,1201 0.306,1202 9.122,1203 13.588,1204 8.927,1205 7.25,1206 16.729,1207 11.01,1208 15.17,1209 0.281,1210 0.161,1211 16.85,1212 8.69,1213 12.801,1214 0.178,1215 0.084,1216 14.056,1217 6.022,1218 10.357,1219 0.111,1220 0.044,1221 11.433,1222 4.09,1223 7.581,1224 0.07,1225 0.024,1226 8.527,1227 2.639,1228 0.275,1229 112.782,1230 0.209,1231 30.773,1232 0.461,1233 180,1234 724.416,1235 261.849,1236 721.942,1237 942.5,1238 662,1239 216,1240 620.845,1241 307.119,1242 663.375,1243 982.34,1244 620,1245 7.215}
{0 CHEMBL1162033,1 2.074,2 13.273,3 -0.806,4 0.65,5 111.261,6 10.018,7 0.444,8 4.098,9 4.169,10 3.997,11 3.526,12 5.37,13 3.582,14 4.629,15 4.724,16 4.343,17 3.922,18 6.153,19 3.973,20 4.88,21 5.001,22 4.428,23 4.034,24 6.319,25 4.064,26 4.955,27 5.102,28 4.43,29 3.988,30 6.546,31 4.016,32 4.881,33 5.045,34 4.336,35 3.93,36 6.273,37 3.928,38 4.819,39 4.948,40 4.36,41 3.832,42 6.507,43 3.881,44 4.756,45 4.9,46 4.168,47 3.741,48 6.337,49 3.756,50 4.584,51 4.734,52 4.11,53 3.644,54 6.138,55 3.661,56 0.454,57 0.785,58 8.483,59 4.22,60 68.413,61 3.506,62 1.127,63 1.172,64 13.799,65 7.066,66 122.171,67 6.492,68 1.61,69 1.329,70 26.528,71 9.677,72 187.236,73 9.096,74 1.936,75 1.324,76 30.06,77 9.559,78 252.453,79 9.198,80 1.678,81 1.229,82 32.316,83 9.604,84 195.917,85 9.327,86 1.708,87 1.109,88 32.618,89 8.983,90 248.467,91 8.355,92 1.697,93 0.996,94 28.031,95 7.824,96 228.762,97 6.876,98 1.244,99 0.913,100 22.279,101 6.853,102 175.972,103 6.941,104 65,105 54,106 0.346,107 0.758,108 0.876,109 0.914,110 0.921,111 0.921,112 3.532,113 0.917,114 -2.67,115 -2.68,116 -2.61,119 34,125 1,127 3,128 1,134 3,135 1,136 2,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 2,159 7,160 1,162 1,163 5,165 3,166 5,168 3,169 1,170 1,171 4,172 1,173 2,175 2,177 6,178 5,180 2,181 5,182 1,183 4,185 1,187 3,188 3,190 4,197 1,198 7,200 1,201 8,202 1,203 1,211 5,212 1,215 4,216 2,219 1,224 4,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 5,240 2,246 1883,247 21.361,248 21.361,249 21.361,250 21.361,251 21.361,252 18.925,253 22.319,254 11.98,255 22.028,256 17.668,257 17.668,258 17.668,259 17.668,260 17.668,261 13.91,262 24.965,263 5.616,264 18.903,265 3.57,266 1.098,267 0.39,268 0.16,269 0.12,270 0.12,271 4.216,272 1,276 945,277 4.183,280 177.16,281 224.859,282 148.583,284 1.978,285 74.677,286 0.25,287 0.5,288 0.5,289 0.3,291 0.33,292 0.5,293 0.34,294 77.333,295 438,296 4.705,297 4.473,298 6.924,299 4.245,300 3.303,301 4.581,302 1.579,303 11.611,304 3.209,305 4.641,306 3.586,307 6.765,308 4.206,309 3.233,310 4.489,311 1.041,312 11.105,313 3.041,314 4.319,315 3.556,316 6.528,317 3.941,318 2.999,319 3.972,320 0.98,321 10.114,322 2.867,323 4.14,324 3.128,325 6.355,326 3.896,327 2.917,328 3.324,330 9.548,331 2.802,332 3.662,333 2.976,334 5.891,335 3.314,336 2.389,337 2.984,339 7.931,340 2.203,341 3.633,342 2.595,343 5.238,344 3.169,345 2.25,346 2.92,347 6.244,348 2.02,349 3.098,350 2.462,351 5.146,352 2.828,353 1.903,354 2.324,355 5.87,356 1.75,357 3.058,358 2.244,359 4.788,360 2.644,361 1.707,362 2.248,363 4.724,364 1.535,365 3.029,366 1.969,367 4.629,368 2.483,369 1.59,370 2.111,371 4.565,372 1.415,373 2.734,374 1.549,375 4.144,376 2.444,377 1.542,378 1.764,379 3.671,380 1.386,381 2.663,382 1.474,383 4.069,384 2.166,385 1.175,386 1.686,387 3.008,388 1.142,389 2.413,390 1.467,391 3.936,392 1.945,393 1.04,394 1.386,395 2.925,396 0.937,397 2.101,398 1.239,399 3.499,400 1.666,401 0.771,402 0.996,403 1.83,404 0.688,405 1.773,406 0.899,407 3.303,408 1.556,409 0.695,410 0.73,411 1.695,412 0.592,413 1.261,414 0.756,415 2.981,416 0.877,417 -0.008,418 -0.009,419 -0.02,420 -0.007,421 15.114,422 0.458,423 1.188,424 0.036,425 43,426 1.303,427 19.5,428 0.591,429 23.5,430 0.712,431 27.996,432 0.848,433 37.686,434 0.754,435 39.078,436 1.184,437 8.531,438 0.259,439 7.04,440 0.213,441 0.206,442 0.055,443 0.39,447 0.914,448 1.562,449 0.674,450 1.257,451 0.917,452 0.841,453 0.819,454 0.986,455 0.728,456 0.864,457 0.671,458 0.861,459 1.063,460 1.201,461 1.02,462 1.127,463 0.965,464 1.082,465 1.06,466 0.934,467 0.95,468 0.945,469 0.999,470 1.01,471 1.088,472 0.94,473 1.024,474 1.022,475 1.108,476 0.962,477 1.046,478 1.067,479 1.109,480 1.291,481 1.085,482 1.013,483 1.325,484 0.772,485 1.026,486 0.809,487 1.436,488 1.024,489 0.993,490 1.116,491 0.931,492 1.181,493 1.093,494 1.112,495 8.5,496 0.304,497 5.333,498 3.736,499 2.327,500 1.517,501 0.92,502 0.641,503 0.413,504 0.325,505 15762,506 65138,507 2.001,508 34,510 8,511 1,512 2,513 6,518 1.75,519 1.808,520 3.655,521 3.367,524 103.709,525 2.074,526 4.546,527 5.254,528 5.484,529 5.524,530 5.524,531 3.086,532 4.802,533 5.019,534 3.851,535 2033.5,536 8.776,537 30707.1,539 282.193,540 1.71,541 4.933,542 0.236,543 0.01,544 0.099,545 0.068,546 0.046,547 0.034,548 0.02,549 0.017,550 0.012,551 0.01,552 0.551,553 0.17,554 0.75,555 0.648,556 176.187,557 -0.176,558 -0.273,559 0.092,560 -0.12,561 -0.233,562 0.054,563 0.077,564 0.167,565 -0.032,566 0.073,567 0.094,568 -0.003,569 -0.074,570 -0.185,571 -0.11,572 -0.125,573 -0.075,574 -0.13,575 -0.003,576 0.028,577 -0.035,578 -0.005,579 0.056,580 -0.067,581 -0.076,582 0.03,583 0.005,584 0.04,585 -0.113,586 0.05,587 0.082,588 -0.093,589 -0.036,590 -0.165,591 0.14,592 -0.037,593 -0.155,594 0.145,595 -0.111,596 0.116,597 -0.165,598 -0.103,599 0.008,600 -0.167,601 0.073,602 -0.171,603 -0.001,604 -0.102,605 5.585,606 5.152,607 0.606,608 34.127,609 1.059,610 1.14,611 1.436,612 2.063,613 0.675,614 3.611,615 4.007,616 4.277,617 4.543,618 4.7,619 4.82,620 4.875,621 5.024,622 5.011,623 5.03,624 7.727,625 0.68,626 500.92,627 3.611,628 5.198,629 6.066,630 6.976,631 7.86,632 8.772,633 9.662,634 10.576,635 11.471,636 12.385,637 12,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,665 1,666 50,667 19,668 1,669 36,671 53,672 17,673 11,674 3,675 3,676 1,677 4,678 5,679 1,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 17,701 13,702 6,703 16,704 2,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,736 1,739 33,740 1,742 1,743 3,744 1,745 1,746 2,747 4,753 1,754 16,755 2,756 1,757 3,758 2,761 18.25,762 8.376,763 7,764 2.454,765 2.863,766 1.363,767 0.909,768 6.542,769 10.753,770 3.871,771 4.53,772 5.038,773 5.608,774 6.033,775 6.323,776 6.567,777 6.901,778 6.857,779 6.975,780 0.889,781 55,782 12.926,783 6.444,784 8.44,785 21.775,786 18.22,787 2.94,788 97.028,789 129.482,790 75.348,791 101.558,792 39.149,793 217.053,795 7.511,796 67.837,797 385.684,798 101.558,800 20.997,801 154.204,802 220.624,803 19.348,804 14.099,805 94.169,806 39.149,807 129.482,808 169.394,809 217.053,810 46.66,812 129.482,813 112.141,814 104.912,815 43.993,816 75.045,817 97.017,819 129.482,820 318.611,821 114.496,823 7.511,824 129.482,825 22.171,826 47.565,827 16.405,828 339.456,829 129.482,830 318.611,831 114.496,833 0.606,834 0.355,835 0.185,836 0.093,837 27,838 14,839 0.113,840 6,841 1,842 1.1,843 4.255,844 308.358,845 0.1,846 20,847 164.465,848 1,849 23.745,850 9.092,851 4.79,852 0.473,853 316.712,854 5.926,855 11.87,856 -0.649,857 1.306,858 177.352,859 562.59,860 47,862 -4.668,863 36.442,866 -1.169,867 52.931,868 57.02,869 0.368,870 0.805,871 0.931,872 0.972,873 0.979,874 0.979,875 5.159,876 1.707,877 6.12,878 5.87,879 4.691,880 5.218,881 2.31,882 7.009,883 4.563,884 6.417,885 1.59,886 7.743,887 4.724,888 4.575,889 5.38,891 8.186,892 4.418,893 7.781,894 1.542,895 9.467,896 4.565,897 6.412,898 7.539,899 2.87,900 11.231,901 6.195,902 9.181,903 1.175,904 11.247,905 3.671,906 7.057,907 8.482,909 13.163,910 6.817,911 10.613,912 1.04,913 13.062,914 3.008,915 8.445,916 10.214,917 3.593,918 15.785,919 8.156,920 12.066,921 0.771,922 14.9,923 2.925,924 9.397,925 11.475,927 18.001,928 9.08,929 13.536,930 0.695,931 16.754,932 1.83,933 10.634,934 13.062,935 4.417,936 20.487,937 10.273,938 3.303,939 -0.008,940 18.62,941 1.695,942 11.711,943 14.458,945 22.817,946 11.317,947 3.233,948 11.611,949 20.495,950 -0.02,951 12.898,952 15.992,953 5.291,954 25.257,955 12.463,956 2.999,957 11.105,958 22.377,959 4.581,960 14.026,961 17.448,963 27.636,964 13.555,965 2.917,966 10.114,967 24.264,968 4.489,969 15.197,970 18.963,971 6.188,972 30.063,973 14.688,974 2.389,975 9.548,976 26.155,977 3.972,978 16.347,979 20.445,981 32.466,982 15.802,983 2.25,984 7.931,985 28.051,986 3.324,987 17.515,988 21.954,989 7.095,990 34.89,991 16.932,992 1.903,993 6.244,994 29.949,995 2.984,996 18.677,997 23.45,999 37.305,1000 18.058,1001 15088,1002 30846,1003 22.887,1004 33.744,1005 55.382,1006 58.12,1007 58.429,1008 55.105,1009 55.028,1010 71.028,1011 7.2,1012 169.685,1013 51.174,1014 5.683,1015 6.473,1016 6.453,1017 5.361,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.209,1023 21.498,1024 1.538,1025 1.614,1026 1.623,1027 1.531,1028 1.529,1029 1.973,1030 0.2,1031 4.713,1032 1.422,1033 4.109,1034 4.157,1035 4.709,1036 3.927,1037 7.725,1038 3.949,1039 3.989,1040 3.975,1041 4.081,1042 3.878,1043 7.428,1044 3.873,1045 3.858,1046 3.848,1047 4.003,1048 3.772,1049 6.999,1050 3.692,1051 3.754,1052 3.742,1053 3.711,1054 3.579,1055 6.495,1056 3.572,1057 3.341,1058 3.42,1059 3.466,1060 3.09,1061 6.468,1062 3.122,1063 3.213,1064 3.227,1065 3.265,1066 3.02,1067 6.4,1068 3.034,1069 3.08,1070 3.107,1071 2.988,1072 2.857,1073 5.271,1074 2.861,1075 2.989,1076 3.09,1077 2.929,1078 2.746,1079 4.882,1080 2.75,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.705,1087 0.127,1088 4.473,1089 0.044,1090 6.924,1091 0.323,1092 4.245,1093 0.089,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.209,1099 1.892,1100 1.884,1101 1.948,1102 2.008,1103 1.172,1104 1.993,1105 1.797,1106 1.751,1107 1.849,1108 1.993,1109 1.062,1110 1.965,1111 1.645,1112 1.676,1113 1.777,1114 1.855,1115 0.997,1116 1.864,1117 1.553,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.44,1124 1.418,1125 1.358,1126 1.679,1127 0.565,1128 1.677,1129 1.126,1130 1.08,1131 1.284,1132 1.424,1133 0.404,1134 1.397,1135 1.006,1136 1.015,1137 1.147,1138 1.246,1139 0.173,1140 1.218,1141 0.883,1142 0.839,1143 1.139,1144 1.22,1145 0.147,1146 1.198,1147 4.29,1149 5.666,1150 3.045,1151 7.217,1152 5.476,1153 8.847,1154 7.627,1155 10.518,1158 5.68,1161 5.728,1162 30.443,1163 -0.742,1164 1.614,1165 10.287,1166 -5.512,1170 34.022,1171 103.709,1172 227.299,1173 262.683,1174 274.193,1175 276.193,1176 276.193,1177 101.371,1178 7.89,1179 212.01,1180 220.39,1181 22,1182 12.901,1183 4.322,1184 3.585,1185 54.577,1186 155,1187 154,1188 0.171,1189 213.047,1190 369.44,1191 511.595,1192 31509,1193 2,1194 23.913,1195 0.725,1196 0.546,1197 24.663,1198 18.011,1199 15.57,1200 0.433,1201 0.306,1202 9.116,1203 13.547,1204 8.919,1205 7.241,1206 16.712,1207 11.004,1208 15.299,1209 0.283,1210 0.162,1211 17.016,1212 8.745,1213 12.529,1214 0.176,1215 0.083,1216 13.639,1217 5.925,1218 10.465,1219 0.113,1220 0.044,1221 11.585,1222 4.08,1223 7.494,1224 0.069,1225 0.024,1226 8.427,1227 2.653,1228 0.273,1229 112.681,1230 0.209,1231 30.824,1232 0.457,1233 180,1234 724.416,1235 261.849,1236 722.045,1237 941.86,1238 662,1239 215,1240 619.845,1241 303.187,1242 662.424,1243 978.51,1244 619,1245 7.921}
{0 CHEMBL1162034,1 2.074,2 12.697,3 -0.806,4 0.65,5 111.261,6 10.018,7 0.444,8 4.098,9 4.169,10 3.997,11 3.526,12 5.37,13 3.582,14 4.629,15 4.724,16 4.343,17 3.922,18 6.153,19 3.973,20 4.88,21 5.001,22 4.428,23 4.034,24 6.321,25 4.064,26 4.955,27 5.102,28 4.418,29 3.997,30 6.52,31 4.021,32 4.886,33 5.045,34 4.434,35 3.933,36 6.349,37 3.943,38 4.82,39 4.947,40 4.372,41 3.856,42 6.468,43 3.885,44 4.761,45 4.899,46 4.222,47 3.727,48 6.428,49 3.769,50 4.574,51 4.735,52 3.958,53 3.636,54 6.023,55 3.636,56 0.454,57 0.785,58 8.483,59 4.22,60 68.413,61 3.506,62 1.127,63 1.172,64 13.799,65 7.066,66 122.171,67 6.492,68 1.61,69 1.329,70 26.528,71 9.677,72 186.201,73 9.096,74 1.917,75 1.32,76 29.606,77 9.587,78 253,79 9.196,80 1.72,81 1.225,82 32.88,83 9.569,84 199.299,85 9.331,86 1.697,87 1.101,88 36.044,89 9.331,90 250.58,91 8.347,92 1.758,93 1,94 26.538,95 7.66,96 229.877,97 6.882,98 1.176,99 0.917,100 20.462,101 6.762,102 171.448,103 6.939,104 65,105 54,106 0.346,107 0.758,108 0.876,109 0.914,110 0.921,111 0.921,112 3.532,113 0.917,114 -2.67,115 -2.68,116 -2.61,119 34,125 1,127 3,128 1,134 3,135 1,136 2,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 2,159 7,160 1,162 1,163 5,165 3,166 4,168 3,169 1,170 1,171 4,172 1,173 3,175 4,177 6,178 4,180 2,181 5,182 1,183 1,187 3,188 5,190 4,192 3,197 1,198 3,200 1,201 8,202 1,211 5,212 7,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 2,237 1,238 5,240 2,246 1868,247 21.361,248 21.361,249 21.361,250 21.361,251 21.361,252 18.925,253 22.319,254 11.986,255 22.028,256 17.668,257 17.668,258 17.668,259 17.668,260 17.668,261 13.91,262 24.102,263 5.625,264 18.904,265 3.57,266 1.098,267 0.39,268 0.16,269 0.12,270 0.12,271 4.216,272 1,276 902,277 4.183,280 176.033,281 224.383,282 147.83,284 1.967,285 74.855,286 0.25,287 0.5,288 0.5,289 0.3,291 0.33,292 0.5,293 0.34,294 77.333,295 419,296 4.705,297 4.473,298 6.924,299 4.245,300 3.303,301 4.581,302 1.579,303 11.611,304 3.21,305 4.641,306 3.587,307 6.765,308 4.207,309 3.234,310 4.489,311 1.041,312 11.108,313 3.041,314 4.325,315 3.56,316 6.528,317 3.942,318 3,319 3.978,320 0.98,321 10.114,322 2.87,323 4.14,324 3.128,325 6.364,326 3.9,327 2.922,328 3.324,330 9.596,331 2.802,332 3.662,333 2.94,334 5.891,335 3.314,336 2.389,337 2.921,339 7.931,340 2.203,341 3.566,342 2.595,343 5.237,344 3.094,345 2.181,346 2.898,347 5.91,348 1.969,349 3.239,350 2.53,351 5.007,352 2.833,353 1.909,354 2.443,355 5.849,356 1.749,357 3.058,358 2.244,359 4.811,360 2.787,361 1.84,362 2.324,363 5.042,364 1.65,365 3.03,366 1.969,367 4.779,368 2.483,369 1.59,370 2.112,371 4.71,372 1.415,373 2.733,374 1.549,375 4.144,376 2.444,377 1.542,378 1.763,379 3.671,380 1.386,381 2.55,382 1.469,383 4.069,384 2.051,385 1.048,386 1.512,387 2.926,388 1.046,389 2.413,390 1.349,391 3.914,392 1.945,393 1.038,394 1.386,395 2.78,396 0.937,397 2.101,398 1.239,399 3.481,400 1.666,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.898,407 3.303,408 1.554,409 0.69,410 0.728,411 1.683,412 0.59,413 1.366,414 0.753,415 2.971,416 0.956,417 0.102,418 0.121,419 0.224,420 0.077,421 15.114,422 0.458,423 1.188,424 0.036,425 43,426 1.303,427 19.5,428 0.591,429 23.5,430 0.712,431 28.103,432 0.852,433 37.686,434 0.754,435 39.12,436 1.185,437 8.531,438 0.259,439 7.04,440 0.213,441 0.206,442 0.055,443 0.39,447 0.914,448 1.562,449 0.674,450 1.257,451 0.917,452 0.841,453 0.819,454 0.986,455 0.728,456 0.864,457 0.671,458 0.861,459 1.063,460 1.201,461 1.02,462 1.127,463 0.961,464 1.082,465 1.103,466 0.927,467 0.968,468 0.908,469 1.042,470 0.992,471 0.981,472 0.952,473 0.952,474 1.069,475 1.014,476 0.946,477 1.143,478 1.053,479 1.184,480 1.25,481 1.182,482 1.045,483 1.184,484 0.786,485 1.045,486 0.935,487 1.296,488 1.023,489 1.138,490 1.102,491 0.928,492 1.058,493 1.213,494 1.093,495 8.5,496 0.296,497 5.333,498 3.611,499 2.487,500 1.406,501 1.043,502 0.578,503 0.389,504 0.333,505 15654,506 64306,507 2.001,508 34,510 8,511 1,512 2,513 6,518 1.751,519 1.808,520 3.618,521 3.367,524 103.709,525 2.074,526 4.546,527 5.254,528 5.484,529 5.524,530 5.524,531 3.037,532 4.681,533 5.02,534 3.827,535 2020.77,536 8.779,537 30507.1,539 282.193,540 1.71,541 4.933,542 0.236,543 0.009,544 0.099,545 0.066,546 0.049,547 0.03,548 0.023,549 0.015,550 0.012,551 0.01,552 0.548,553 0.17,554 0.75,555 0.648,556 175.979,557 -0.176,558 -0.273,559 0.092,560 -0.12,561 -0.233,562 0.054,563 0.077,564 0.167,565 -0.032,566 0.073,567 0.094,568 -0.003,569 -0.074,570 -0.185,571 -0.11,572 -0.125,573 -0.071,574 -0.13,575 -0.047,576 0.035,577 -0.053,578 0.033,579 0.012,580 -0.049,581 0.039,582 0.016,583 0.119,584 0.001,585 -0.015,586 0.066,587 -0.009,588 -0.08,589 -0.068,590 -0.111,591 0.044,592 -0.07,593 -0.004,594 0.129,595 -0.082,597 -0.02,598 -0.102,599 -0.157,600 -0.149,601 -0.034,602 -0.072,603 -0.128,604 -0.083,605 5.598,606 5.163,607 0.606,608 33.631,609 1.059,610 1.14,611 1.436,612 2.063,613 0.675,614 3.611,615 4.007,616 4.277,617 4.543,618 4.718,619 4.796,620 4.898,621 4.997,622 5.024,623 5.037,624 7.66,625 0.68,626 500.92,627 3.611,628 5.198,629 6.066,630 6.976,631 7.861,632 8.772,633 9.665,634 10.576,635 11.474,636 12.386,637 12,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,665 1,666 50,667 19,668 1,669 36,671 53,672 17,673 11,674 3,675 3,676 1,677 4,678 5,679 1,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 17,701 13,702 6,703 16,704 2,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,736 1,739 33,740 1,742 1,743 3,744 1,745 1,746 2,747 4,753 1,754 16,755 2,756 1,757 3,758 2,761 18.25,762 8.376,763 7,764 2.454,765 2.87,766 1.364,767 0.909,768 6.542,769 10.76,770 3.871,771 4.53,772 5.038,773 5.608,774 6.049,775 6.29,776 6.594,777 6.874,778 6.878,779 6.978,780 1,781 55,782 12.938,783 6.458,784 8.44,785 21.775,786 18.22,787 2.94,788 97.028,789 129.482,790 75.348,791 101.558,792 39.149,793 217.053,795 7.511,796 67.837,797 385.684,798 101.558,800 20.997,801 154.204,802 220.624,803 19.348,804 14.099,805 94.169,806 39.149,807 129.482,808 169.394,809 217.053,810 46.66,812 129.482,813 112.141,814 104.912,815 43.993,816 75.045,817 97.017,819 129.482,820 318.611,821 114.496,823 7.511,824 129.482,825 22.171,826 47.565,827 16.405,828 339.456,829 129.482,830 318.611,831 114.496,833 0.606,834 0.355,835 0.185,836 0.098,837 27,838 14,839 0.113,840 6,841 1,842 1.1,843 4.245,844 308.97,845 0.1,846 20,847 161.71,848 1,849 23.745,850 9.092,851 4.79,852 0.471,853 316.712,854 5.948,855 11.869,856 -0.697,857 1.305,858 177.352,859 562.59,860 47,862 -4.681,863 36.49,866 -1.192,867 52.931,868 57.02,869 0.368,870 0.805,871 0.931,872 0.972,873 0.979,874 0.979,875 5.159,876 1.84,877 6.12,878 5.849,879 4.691,880 5.218,881 2.31,882 7.009,883 4.563,884 6.417,885 1.59,886 7.743,887 5.042,888 4.575,889 5.38,891 8.186,892 4.418,893 7.781,894 1.542,895 9.467,896 4.71,897 6.412,898 7.539,899 2.87,900 11.232,901 6.195,902 9.181,903 1.048,904 11.247,905 3.671,906 7.057,907 8.482,909 13.164,910 6.817,911 10.613,912 1.038,913 13.062,914 2.926,915 8.445,916 10.214,917 3.593,918 15.788,919 8.156,920 12.066,921 0.77,922 14.9,923 2.78,924 9.397,925 11.475,927 18.004,928 9.08,929 13.536,930 0.69,931 16.755,932 1.829,933 10.635,934 13.062,935 4.417,936 20.491,937 10.274,938 3.303,939 0.102,940 18.621,941 1.683,942 11.712,943 14.459,945 22.821,946 11.318,947 3.234,948 11.611,949 20.496,950 0.224,951 12.899,952 15.993,953 5.291,954 25.261,955 12.464,956 3,957 11.108,958 22.378,959 4.581,960 14.027,961 17.449,963 27.64,964 13.557,965 2.922,966 10.114,967 24.265,968 4.489,969 15.199,970 18.964,971 6.188,972 30.067,973 14.69,974 2.389,975 9.596,976 26.157,977 3.978,978 16.35,979 20.447,981 32.47,982 15.804,983 2.181,984 7.931,985 28.052,986 3.324,987 17.518,988 21.955,989 7.095,990 34.894,991 16.935,992 1.909,993 5.91,994 29.95,995 2.921,996 18.68,997 23.451,999 37.309,1000 18.06,1001 14986,1002 30550,1003 22.887,1004 33.744,1005 55.434,1006 58.387,1007 58.433,1008 55.089,1009 55.119,1010 71.147,1011 7.2,1012 169.967,1013 51.262,1014 5.684,1015 6.473,1016 6.453,1017 5.361,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.21,1023 21.432,1024 1.54,1025 1.622,1026 1.623,1027 1.53,1028 1.531,1029 1.976,1030 0.2,1031 4.721,1032 1.424,1033 4.109,1034 4.157,1035 4.71,1036 3.928,1037 7.725,1038 3.949,1039 3.989,1040 3.975,1041 4.081,1042 3.878,1043 7.428,1044 3.874,1045 3.858,1046 3.848,1047 4.005,1048 3.772,1049 6.999,1050 3.691,1051 3.754,1052 3.742,1053 3.711,1054 3.579,1055 6.495,1056 3.571,1057 3.341,1058 3.42,1059 3.442,1060 3.089,1061 6.468,1062 3.121,1063 3.209,1064 3.227,1065 3.265,1066 3.002,1067 6.4,1068 3.021,1069 3.079,1070 3.107,1071 3.083,1072 2.856,1073 5.271,1074 2.86,1075 2.989,1076 3.09,1077 2.967,1078 2.796,1079 4.888,1080 2.792,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.705,1087 0.127,1088 4.473,1089 0.044,1090 6.924,1091 0.323,1092 4.245,1093 0.089,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.21,1099 1.891,1100 1.884,1101 1.947,1102 2.008,1103 1.172,1104 1.993,1105 1.797,1106 1.751,1107 1.849,1108 1.993,1109 1.062,1110 1.965,1111 1.645,1112 1.676,1113 1.777,1114 1.855,1115 0.997,1116 1.864,1117 1.554,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.44,1124 1.418,1125 1.363,1126 1.68,1127 0.567,1128 1.678,1129 1.127,1130 1.079,1131 1.313,1132 1.425,1133 0.405,1134 1.398,1135 1.014,1136 1.015,1137 1.148,1138 1.256,1139 0.203,1140 1.228,1141 0.864,1142 0.842,1143 1.086,1144 1.222,1145 0.139,1146 1.207,1147 4.29,1149 5.666,1150 3.045,1151 7.217,1152 5.476,1153 8.847,1154 7.627,1155 10.518,1158 5.749,1161 5.729,1162 30.417,1163 -0.747,1164 1.606,1165 10.286,1166 -5.524,1170 34.022,1171 103.709,1172 227.299,1173 262.683,1174 274.193,1175 276.193,1176 276.193,1177 101.557,1178 7.89,1179 212.01,1180 220.39,1181 22,1182 12.903,1183 4.322,1184 3.585,1185 54.551,1186 154,1187 131,1188 0.172,1189 213.047,1190 369.44,1191 511.595,1192 31509,1193 2,1194 23.913,1195 0.725,1196 0.546,1197 24.663,1198 18.011,1199 15.57,1200 0.433,1201 0.306,1202 9.116,1203 13.547,1204 8.919,1205 7.241,1206 16.712,1207 11.004,1208 15.299,1209 0.283,1210 0.162,1211 17.016,1212 8.745,1213 12.552,1214 0.177,1215 0.083,1216 13.662,1217 5.924,1218 10.301,1219 0.111,1220 0.044,1221 11.371,1222 4.079,1223 7.874,1224 0.071,1225 0.024,1226 8.981,1227 2.716,1228 0.274,1229 112.681,1230 0.209,1231 30.778,1232 0.461,1233 180,1234 724.416,1235 261.849,1236 722.045,1237 941.86,1238 662,1239 215,1240 619.845,1241 303.187,1242 662.423,1243 978.5,1244 619,1245 7.699}
{0 CHEMBL1162035,1 2.074,2 13.273,3 -1.265,4 1.601,5 106.673,6 9.689,7 0.444,8 4.101,9 4.176,10 3.972,11 3.499,12 5.4,13 3.569,14 4.633,15 4.731,16 4.307,17 3.885,18 6.185,19 3.956,20 4.886,21 5.012,22 4.392,23 3.988,24 6.358,25 4.044,26 4.96,27 5.11,28 4.39,29 3.956,30 6.593,31 4,32 4.884,33 5.051,34 4.316,35 3.905,36 6.292,37 3.917,38 4.823,39 4.955,40 4.315,41 3.81,42 6.561,43 3.868,44 4.759,45 4.906,46 4.108,47 3.695,48 6.35,49 3.741,50 4.592,51 4.746,52 4.015,53 3.611,54 6.275,55 3.636,56 0.484,57 0.848,58 9.173,59 4.122,60 76.541,61 3.567,62 1.172,63 1.278,64 14.595,65 6.956,66 130.783,67 6.483,68 1.724,69 1.449,70 25.282,71 9.143,72 214.988,73 8.747,74 2.056,75 1.361,76 29.38,77 9.013,78 285.505,79 9.102,80 1.752,81 1.244,82 31.95,83 9.073,84 216.685,85 9.194,86 1.802,87 1.124,88 32.201,89 8.484,90 275.806,91 8.438,92 1.75,93 1.048,94 25.543,95 7.232,96 248.798,97 6.712,98 1.427,99 0.939,100 21.063,101 6.417,102 225.512,103 7.022,104 65,105 54,106 0.346,107 0.758,108 0.876,109 0.914,110 0.921,111 0.921,112 3.532,113 0.885,114 -2.55,115 -2.57,116 -2.51,119 34,125 1,127 3,128 1,134 3,135 1,136 2,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 2,159 7,160 1,162 1,163 5,165 3,166 3,168 3,169 1,170 1,171 4,172 1,173 2,175 1,177 6,178 5,180 2,181 5,182 1,183 3,187 3,188 3,190 4,197 1,198 6,200 1,201 8,202 1,211 5,212 1,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 5,240 2,246 1883,247 21.361,248 21.361,249 21.361,250 21.361,251 21.361,252 18.925,253 22.345,254 11.98,255 21.954,256 17.668,257 17.668,258 17.668,259 17.668,260 17.668,261 13.91,262 25.001,263 5.616,264 18.756,265 3.57,266 1.098,267 0.39,268 0.16,269 0.12,270 0.12,271 4.216,276 945,277 4.183,280 177.16,281 224.859,282 148.583,284 1.978,285 80.611,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 78.5,295 438,296 4.705,297 4.473,298 6.924,299 4.245,300 3.303,301 4.581,302 1.579,303 11.611,304 3.21,305 4.641,306 3.586,307 6.765,308 4.206,309 3.233,310 4.489,311 1.041,312 11.105,313 3.041,314 4.319,315 3.556,316 6.528,317 3.942,318 2.999,319 3.972,320 0.98,321 10.114,322 2.877,323 4.14,324 3.128,325 6.355,326 3.9,327 2.917,328 3.324,330 9.548,331 2.802,332 3.662,333 2.96,334 5.891,335 3.315,336 2.389,337 2.984,339 7.931,340 2.204,341 3.633,342 2.595,343 5.238,344 3.208,345 2.25,346 2.92,347 6.244,348 2.136,349 3.098,350 2.452,351 5.146,352 2.828,353 1.903,354 2.324,355 5.87,356 1.751,357 3.058,358 2.244,359 4.788,360 2.662,361 1.707,362 2.248,363 4.724,364 1.606,365 3.029,366 1.969,367 4.629,368 2.483,369 1.59,370 2.111,371 4.565,372 1.415,373 2.734,374 1.549,375 4.144,376 2.444,377 1.542,378 1.764,379 3.671,380 1.386,381 2.663,382 1.474,383 4.069,384 2.171,385 1.175,386 1.686,387 3.008,388 1.162,389 2.413,390 1.467,391 3.936,392 1.945,393 1.04,394 1.386,395 2.925,396 0.937,397 2.101,398 1.239,399 3.499,400 1.666,401 0.771,402 0.996,403 1.83,404 0.688,405 1.773,406 0.899,407 3.303,408 1.556,409 0.695,410 0.73,411 1.695,412 0.592,413 1.261,414 0.755,415 2.981,416 0.899,417 -0.008,418 -0.009,419 -0.02,420 -0.007,421 14.686,422 0.445,423 1.188,424 0.036,425 43,426 1.303,427 19.5,428 0.591,429 23.5,430 0.712,431 27.15,432 0.823,433 38.114,434 0.762,435 39.924,436 1.21,437 8.662,438 0.262,439 6.909,440 0.209,441 0.183,442 0.057,443 0.402,445 1,447 0.877,448 1.404,449 0.738,450 1.352,451 0.859,452 0.88,453 0.803,454 0.977,455 0.786,456 0.949,457 0.66,458 0.904,459 1.066,460 1.162,461 1.023,462 1.148,463 0.978,464 1.084,465 1.005,466 0.868,467 1.034,468 0.948,469 0.921,470 1.023,471 1.032,472 0.851,473 1.15,474 1.052,475 1.017,476 0.977,477 0.956,478 0.895,479 1.297,480 1.305,481 0.94,482 1.037,483 1.246,484 0.754,485 1.2,486 0.889,487 1.316,488 1.047,489 0.899,490 1.006,491 1.023,492 1.127,493 0.93,494 1.127,495 8.5,496 0.304,497 5.333,498 3.736,499 2.327,500 1.517,501 0.92,502 0.641,503 0.413,504 0.325,505 15762,506 65138,507 2.001,508 34,510 8,511 1,512 2,513 6,518 1.75,519 1.808,520 3.655,521 3.367,524 103.709,525 2.074,526 4.546,527 5.254,528 5.484,529 5.524,530 5.524,531 3.086,532 4.802,533 5.019,534 3.851,535 2033.5,536 8.776,537 30707.1,539 282.193,540 1.71,541 4.933,542 0.236,543 0.01,544 0.099,545 0.068,546 0.046,547 0.034,548 0.02,549 0.017,550 0.012,551 0.01,552 0.551,553 0.17,554 0.75,555 0.648,556 176.187,557 -0.167,558 -0.241,559 0.129,560 -0.133,561 -0.205,562 0.054,563 0.055,564 0.076,565 -0.038,566 0.032,567 0.075,568 -0.019,569 -0.095,570 -0.17,571 -0.09,572 -0.128,573 -0.094,574 -0.122,575 0.001,576 0.013,577 -0.042,578 0.001,579 0.06,580 -0.07,581 -0.081,582 0.001,583 0.021,584 0.03,585 -0.109,586 0.05,587 0.099,588 -0.026,589 -0.073,590 -0.152,591 0.161,592 -0.045,593 -0.153,594 0.064,595 -0.184,596 0.039,597 -0.176,598 -0.115,599 0.089,600 -0.075,601 0.014,602 -0.11,603 0.126,604 -0.114,605 5.646,606 5.104,607 0.606,608 34.127,609 1.062,610 1.148,611 1.318,612 1.738,613 0.656,614 3.611,615 4.007,616 4.277,617 4.543,618 4.7,619 4.82,620 4.875,621 5.024,622 5.011,623 5.03,624 7.727,625 0.672,626 484.47,627 3.611,628 5.198,629 6.066,630 6.976,631 7.86,632 8.772,633 9.662,634 10.576,635 11.471,636 12.385,637 12,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,665 1,666 50,667 19,668 1,669 36,671 53,672 17,673 11,674 3,675 3,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,699 1,700 17,701 14,702 6,703 16,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,737 1,739 33,740 1,742 1,743 3,744 1,745 1,746 2,747 4,753 1,754 16,755 2,756 1,757 3,758 2,761 18.25,762 8.376,763 7,764 2.454,765 2.863,766 1.363,767 0.908,768 6.302,769 10.753,770 3.871,771 4.53,772 5.038,773 5.608,774 6.033,775 6.323,776 6.567,777 6.901,778 6.857,779 6.975,780 0.889,781 55,782 13.02,783 6.584,784 8.558,785 21.636,786 18.112,787 3.058,788 100.917,789 129.482,790 80.968,791 101.558,793 217.053,794 14.96,795 7.511,796 73.457,797 346.535,798 116.518,800 20.997,801 154.204,802 220.624,803 24.968,804 29.059,805 94.169,807 129.482,808 175.015,809 232.013,810 7.511,812 144.442,813 112.141,814 104.912,815 43.993,816 80.665,817 57.868,819 144.442,820 318.611,821 80.968,823 7.511,824 129.482,825 27.791,826 47.565,827 16.405,828 315.267,829 129.482,830 333.571,831 80.968,833 0.606,834 0.355,835 0.185,836 0.093,837 27,838 14,839 0.113,840 6,841 1,842 1.1,843 4.255,844 308.358,845 0.1,846 20,847 164.465,848 1,849 23.406,850 8.886,851 4.662,852 0.441,853 331.672,854 4.788,855 11.827,856 -2.033,857 1.287,858 177.352,859 544.022,860 47,862 -4.729,863 36.267,866 -1.277,867 53.12,868 57.416,869 0.368,870 0.805,871 0.931,872 0.972,873 0.979,874 0.979,875 5.159,876 1.707,877 6.12,878 5.87,879 4.691,880 5.218,881 2.31,882 7.009,883 4.576,884 6.417,885 1.59,886 7.743,887 4.724,888 4.575,889 5.38,891 8.186,892 4.439,893 7.781,894 1.542,895 9.467,896 4.565,897 6.412,898 7.539,899 2.87,900 11.231,901 6.21,902 9.181,903 1.175,904 11.247,905 3.671,906 7.057,907 8.482,909 13.163,910 6.834,911 10.613,912 1.04,913 13.062,914 3.008,915 8.445,916 10.214,917 3.593,918 15.785,919 8.169,920 12.066,921 0.771,922 14.9,923 2.925,924 9.397,925 11.475,927 18.001,928 9.093,929 13.536,930 0.695,931 16.754,932 1.83,933 10.634,934 13.062,935 4.417,936 20.487,937 10.285,938 3.303,939 -0.008,940 18.62,941 1.695,942 11.711,943 14.458,945 22.817,946 11.327,947 3.233,948 11.611,949 20.495,950 -0.02,951 12.898,952 15.992,953 5.291,954 25.257,955 12.473,956 2.999,957 11.105,958 22.377,959 4.581,960 14.026,961 17.448,963 27.636,964 13.564,965 2.917,966 10.114,967 24.264,968 4.489,969 15.197,970 18.963,971 6.188,972 30.063,973 14.696,974 2.389,975 9.548,976 26.155,977 3.972,978 16.347,979 20.445,981 32.466,982 15.81,983 2.25,984 7.931,985 28.051,986 3.324,987 17.515,988 21.954,989 7.095,990 34.89,991 16.94,992 1.903,993 6.244,994 29.949,995 2.984,996 18.677,997 23.45,999 37.305,1000 18.065,1001 15088,1002 30846,1003 22.887,1004 32.824,1005 55.382,1006 58.09,1007 58.429,1008 55.007,1009 55.028,1010 71.028,1011 7.2,1012 169.685,1013 51.614,1014 5.683,1015 6.473,1016 6.453,1017 5.361,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.21,1023 21.498,1024 1.538,1025 1.614,1026 1.623,1027 1.528,1028 1.529,1029 1.973,1030 0.2,1031 4.713,1032 1.434,1033 4.109,1034 4.157,1035 4.709,1036 3.924,1037 8.201,1038 3.948,1039 3.99,1040 3.98,1041 4.08,1042 3.873,1043 7.725,1044 3.867,1045 3.861,1046 3.851,1047 3.882,1048 3.763,1049 7.428,1050 3.69,1051 3.754,1052 3.744,1053 3.711,1054 3.578,1055 6.999,1056 3.571,1057 3.341,1058 3.421,1059 3.268,1060 3.088,1061 6.495,1062 3.121,1063 3.219,1064 3.235,1065 3.219,1066 2.983,1067 6.467,1068 3.018,1069 3.083,1070 3.111,1071 2.971,1072 2.854,1073 6.4,1074 2.858,1075 2.989,1076 3.096,1077 2.878,1078 2.746,1079 5.271,1080 2.749,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.705,1087 0.127,1088 4.473,1089 0.044,1090 6.924,1091 0.323,1092 4.245,1093 0.089,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.21,1099 1.889,1100 1.878,1101 1.959,1102 2.008,1103 1.172,1104 1.999,1105 1.797,1106 1.751,1107 1.849,1108 2.005,1109 1.051,1110 1.965,1111 1.645,1112 1.675,1113 1.777,1114 1.858,1115 0.997,1116 1.866,1117 1.553,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.44,1124 1.418,1125 1.359,1126 1.683,1127 0.563,1128 1.678,1129 1.126,1130 1.076,1131 1.292,1132 1.427,1133 0.403,1134 1.398,1135 1.001,1136 1.007,1137 1.147,1138 1.265,1139 0.167,1140 1.223,1141 0.883,1142 0.839,1143 1.14,1144 1.222,1145 0.147,1146 1.204,1147 4.29,1149 5.666,1150 3.045,1151 7.217,1152 5.476,1153 8.847,1154 7.627,1155 10.518,1159 13.039,1161 5.716,1162 30.244,1163 -0.781,1164 1.535,1165 10.212,1166 -5.617,1170 33.578,1171 103.709,1172 227.299,1173 262.683,1174 274.193,1175 276.193,1176 276.193,1177 108.264,1178 7.89,1179 212.01,1180 220.39,1181 22,1182 12.901,1183 4.322,1184 3.585,1185 54.577,1186 155,1187 154,1188 0.171,1189 205.912,1190 360.3,1191 494.186,1192 31509,1193 2,1194 23.913,1195 0.725,1196 0.523,1197 23.293,1198 17.255,1199 15.57,1200 0.433,1201 0.295,1202 9.061,1203 13.737,1204 8.919,1205 7.241,1206 16.03,1207 10.626,1208 15.299,1209 0.283,1210 0.154,1211 15.974,1212 8.309,1213 12.529,1214 0.176,1215 0.08,1216 13.057,1217 5.69,1218 10.465,1219 0.113,1220 0.042,1221 10.972,1222 3.914,1223 7.494,1224 0.069,1225 0.023,1226 8.11,1227 2.531,1228 0.273,1229 110.372,1230 0.209,1231 30.824,1232 0.457,1233 180,1234 784.324,1235 250.16,1236 722.045,1237 941.86,1238 662,1239 215,1240 636.316,1241 296.338,1242 662.424,1243 978.51,1244 619,1245 7.921}
{0 CHEMBL1162036,1 2.074,2 13.273,3 -0.722,4 0.522,5 114.079,6 10.907,7 0.444,8 4.097,9 4.168,10 4.063,11 3.541,12 5.359,13 3.587,14 4.628,15 4.722,16 4.435,17 3.942,18 6.141,19 3.98,20 4.877,21 4.998,22 4.519,23 4.058,24 6.305,25 4.072,26 4.953,27 5.1,28 4.531,29 4.005,30 6.529,31 4.023,32 4.88,33 5.044,34 4.387,35 3.943,36 6.266,37 3.933,38 4.817,39 4.946,40 4.472,41 3.843,42 6.488,43 3.887,44 4.754,45 4.898,46 4.314,47 3.764,48 6.333,49 3.763,50 4.58,51 4.731,52 4.327,53 3.662,54 6.085,55 3.671,56 0.439,57 0.793,58 6.386,59 4.379,60 65.714,61 3.484,62 1.106,63 1.196,64 11.071,65 7.349,66 119.52,67 6.506,68 1.555,69 1.371,70 29.968,71 10.409,72 178.152,73 9.284,74 1.877,75 1.364,76 31.539,77 10.168,78 241.08,79 9.256,80 1.642,81 1.263,82 33.359,83 10.119,84 188.971,85 9.403,86 1.66,87 1.143,88 33.104,89 9.364,90 238.667,91 8.317,92 1.671,93 1.034,94 34.663,95 8.609,96 222.029,97 6.97,98 1.15,99 0.941,100 24.445,101 7.346,102 158.252,103 6.9,104 65,105 54,106 0.346,107 0.758,108 0.876,109 0.914,110 0.921,111 0.921,112 3.532,113 0.952,114 -2.78,115 -2.8,116 -2.71,117 1,119 34,125 1,127 3,128 1,134 3,135 1,136 2,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 2,159 7,160 1,162 1,163 5,165 3,166 5,168 3,169 1,170 1,171 4,172 1,173 2,175 2,177 6,178 5,180 2,181 5,182 1,183 4,185 1,187 3,188 3,190 4,197 1,198 7,200 1,201 8,202 1,203 1,211 5,212 1,215 4,216 2,219 1,224 4,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 5,240 2,246 1883,247 21.361,248 21.361,249 21.361,250 21.361,251 21.361,252 18.925,253 22.362,254 11.98,255 22.056,256 17.668,257 17.668,258 17.668,259 17.668,260 17.668,261 13.91,262 25.023,263 5.616,264 18.959,265 3.57,266 1.098,267 0.39,268 0.16,269 0.12,270 0.12,271 4.216,276 945,277 4.183,280 177.16,281 224.859,282 148.583,284 1.978,285 72.601,286 0.25,287 0.5,288 0.5,289 0.3,291 0.33,292 0.5,293 0.34,294 76.75,295 438,296 4.705,297 4.473,298 6.924,299 4.245,300 3.303,301 4.581,302 1.579,303 11.611,304 3.209,305 4.641,306 3.586,307 6.765,308 4.206,309 3.233,310 4.489,311 1.041,312 11.105,313 3.041,314 4.319,315 3.556,316 6.528,317 3.941,318 2.999,319 3.972,320 0.98,321 10.114,322 2.865,323 4.14,324 3.128,325 6.355,326 3.895,327 2.917,328 3.324,330 9.548,331 2.802,332 3.662,333 2.95,334 5.891,335 3.314,336 2.389,337 2.984,339 7.931,340 2.203,341 3.633,342 2.595,343 5.238,344 3.158,345 2.25,346 2.92,347 6.244,348 1.987,349 3.098,350 2.446,351 5.146,352 2.828,353 1.903,354 2.324,355 5.87,356 1.749,357 3.058,358 2.244,359 4.788,360 2.638,361 1.707,362 2.248,363 4.724,364 1.502,365 3.029,366 1.969,367 4.629,368 2.483,369 1.59,370 2.111,371 4.565,372 1.415,373 2.734,374 1.549,375 4.144,376 2.444,377 1.542,378 1.764,379 3.671,380 1.386,381 2.663,382 1.474,383 4.069,384 2.164,385 1.175,386 1.686,387 3.008,388 1.131,389 2.413,390 1.467,391 3.936,392 1.945,393 1.04,394 1.386,395 2.925,396 0.937,397 2.101,398 1.239,399 3.499,400 1.666,401 0.771,402 0.996,403 1.83,404 0.688,405 1.773,406 0.899,407 3.303,408 1.556,409 0.695,410 0.73,411 1.695,412 0.591,413 1.261,414 0.755,415 2.981,416 0.871,417 -0.008,418 -0.009,419 -0.02,420 -0.007,421 15.733,422 0.477,423 1.188,424 0.036,425 42.75,426 1.295,427 19.5,428 0.591,429 23.25,430 0.705,431 29.603,432 0.897,433 37.067,434 0.741,435 37.472,436 1.136,437 8.259,438 0.25,439 7.311,440 0.222,441 0.237,442 0.053,443 0.375,447 0.923,448 1.528,449 0.541,450 1.121,451 0.922,452 0.816,453 0.822,454 0.957,455 0.613,456 0.79,457 0.671,458 0.837,459 1.055,460 1.187,461 0.959,462 1.087,463 0.955,464 1.077,465 1.079,466 0.93,467 0.746,468 0.903,469 1.013,470 0.996,471 1.103,472 0.929,473 0.69,474 0.937,475 1.115,476 0.943,477 1.082,478 1.076,479 0.701,480 1.186,481 1.119,482 0.991,483 1.347,484 0.757,485 0.675,486 0.736,487 1.444,488 1.003,489 1.043,490 1.131,491 0.822,492 1.167,493 1.152,494 1.1,495 8.5,496 0.304,497 5.333,498 3.736,499 2.327,500 1.517,501 0.92,502 0.641,503 0.413,504 0.325,505 15762,506 65138,507 2.001,508 34,510 8,511 1,512 2,513 6,518 1.75,519 1.808,520 3.655,521 3.367,524 103.709,525 2.074,526 4.546,527 5.254,528 5.484,529 5.524,530 5.524,531 3.086,532 4.802,533 5.019,534 3.851,535 2033.5,536 8.776,537 30707.1,539 282.193,540 1.71,541 4.933,542 0.236,543 0.01,544 0.099,545 0.068,546 0.046,547 0.034,548 0.02,549 0.017,550 0.012,551 0.01,552 0.551,553 0.17,554 0.75,555 0.648,556 176.187,557 -0.176,558 -0.262,559 0.026,560 -0.1,561 -0.235,562 0.052,563 0.088,564 0.183,565 -0.015,566 0.082,567 0.098,568 0.004,569 -0.061,570 -0.176,571 -0.093,572 -0.11,573 -0.064,574 -0.131,575 -0.005,576 0.03,577 -0.017,578 -0.007,579 0.052,580 -0.065,581 -0.071,582 0.037,583 -0.011,584 0.04,585 -0.11,586 0.049,587 0.07,588 -0.107,589 0.011,590 -0.15,591 0.124,592 -0.033,593 -0.151,594 0.159,595 -0.004,596 0.137,597 -0.153,598 -0.096,599 -0.039,600 -0.184,601 0.093,602 -0.179,603 -0.055,604 -0.096,605 5.564,606 5.169,607 0.606,608 34.127,609 1.057,610 1.138,611 1.553,612 2.412,613 0.685,614 3.611,615 4.007,616 4.277,617 4.543,618 4.7,619 4.82,620 4.875,621 5.024,622 5.011,623 5.03,624 7.727,625 0.684,626 545.37,627 3.611,628 5.198,629 6.066,630 6.976,631 7.86,632 8.772,633 9.662,634 10.576,635 11.471,636 12.385,637 12,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,665 1,666 50,667 19,668 1,669 36,670 1,671 53,672 17,673 11,674 3,675 3,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 17,701 13,702 6,703 16,704 2,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,734 1,739 33,740 1,742 1,743 3,744 1,745 1,746 2,747 4,753 1,754 16,755 2,756 1,757 3,758 2,761 18.25,762 8.376,763 7,764 2.454,765 2.863,766 1.363,767 0.915,768 6.678,769 10.753,770 3.871,771 4.53,772 5.038,773 5.608,774 6.033,775 6.323,776 6.567,777 6.901,778 6.857,779 6.975,780 0.889,781 55,782 12.917,783 6.406,784 8.399,785 21.885,786 18.306,787 2.899,788 95.667,789 129.482,790 74.902,791 147.512,793 217.053,795 7.511,796 113.345,797 346.535,798 101.558,800 20.997,801 154.204,802 220.624,803 18.903,804 14.099,805 94.169,806 45.954,807 129.482,808 168.949,809 217.053,810 7.511,811 45.954,812 129.482,813 112.141,814 104.912,815 43.993,816 74.599,817 57.868,818 45.954,819 129.482,820 318.611,821 120.856,823 7.511,824 129.482,825 21.725,826 47.565,827 62.359,828 300.307,829 129.482,830 318.611,831 120.856,833 0.606,834 0.355,835 0.185,836 0.093,837 27,838 14,839 0.113,840 6,841 1,842 1.1,843 4.255,844 308.358,845 0.1,846 20,847 164.465,848 1,849 23.934,850 9.207,851 4.863,852 0.485,853 316.712,854 6.324,855 11.884,856 -0.165,857 1.313,858 177.352,859 568.95,860 47,862 -4.647,863 36.504,866 -1.132,867 52.836,868 56.918,869 0.368,870 0.805,871 0.931,872 0.972,873 0.979,874 0.979,875 5.159,876 1.707,877 6.12,878 5.87,879 4.691,880 5.218,881 2.31,882 7.009,883 4.559,884 6.417,885 1.59,886 7.743,887 4.724,888 4.575,889 5.38,891 8.186,892 4.41,893 7.781,894 1.542,895 9.467,896 4.565,897 6.412,898 7.539,899 2.87,900 11.231,901 6.191,902 9.181,903 1.175,904 11.247,905 3.671,906 7.057,907 8.482,909 13.163,910 6.812,911 10.613,912 1.04,913 13.062,914 3.008,915 8.445,916 10.214,917 3.593,918 15.785,919 8.152,920 12.066,921 0.771,922 14.9,923 2.925,924 9.397,925 11.475,927 18.001,928 9.076,929 13.536,930 0.695,931 16.754,932 1.83,933 10.634,934 13.062,935 4.417,936 20.487,937 10.271,938 3.303,939 -0.008,940 18.62,941 1.695,942 11.711,943 14.458,945 22.817,946 11.314,947 3.233,948 11.611,949 20.495,950 -0.02,951 12.898,952 15.992,953 5.291,954 25.257,955 12.461,956 2.999,957 11.105,958 22.377,959 4.581,960 14.026,961 17.448,963 27.636,964 13.553,965 2.917,966 10.114,967 24.264,968 4.489,969 15.197,970 18.963,971 6.188,972 30.063,973 14.686,974 2.389,975 9.548,976 26.155,977 3.972,978 16.347,979 20.445,981 32.466,982 15.8,983 2.25,984 7.931,985 28.051,986 3.324,987 17.515,988 21.954,989 7.095,990 34.89,991 16.93,992 1.903,993 6.244,994 29.949,995 2.984,996 18.677,997 23.45,999 37.305,1000 18.056,1001 15088,1002 30846,1003 22.887,1004 34.239,1005 55.382,1006 58.072,1007 58.429,1008 55.142,1009 55.028,1010 71.028,1011 7.2,1012 169.685,1013 51.009,1014 5.683,1015 6.473,1016 6.453,1017 5.361,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.209,1023 21.498,1024 1.538,1025 1.613,1026 1.623,1027 1.532,1028 1.529,1029 1.973,1030 0.2,1031 4.713,1032 1.417,1033 4.109,1034 4.157,1035 6.88,1036 3.932,1037 7.725,1038 3.949,1039 3.988,1040 3.974,1041 4.709,1042 3.883,1043 7.428,1044 3.877,1045 3.857,1046 3.848,1047 4.08,1048 3.78,1049 6.999,1050 3.693,1051 3.754,1052 3.741,1053 3.793,1054 3.579,1055 6.495,1056 3.572,1057 3.341,1058 3.42,1059 3.711,1060 3.098,1061 6.468,1062 3.123,1063 3.21,1064 3.225,1065 3.266,1066 3.056,1067 6.4,1068 3.044,1069 3.079,1070 3.106,1071 3.1,1072 2.86,1073 5.271,1074 2.862,1075 2.989,1076 3.088,1077 2.965,1078 2.746,1079 4.856,1080 2.75,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.705,1087 0.127,1088 4.473,1089 0.044,1090 6.924,1091 0.323,1092 4.245,1093 0.089,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.209,1099 1.893,1100 1.885,1101 1.937,1102 2.008,1103 1.172,1104 1.992,1105 1.797,1106 1.751,1107 1.849,1108 1.989,1109 1.073,1110 1.965,1111 1.645,1112 1.676,1113 1.777,1114 1.853,1115 0.997,1116 1.863,1117 1.554,1118 1.531,1119 1.651,1120 1.803,1121 0.757,1122 1.774,1123 1.44,1124 1.419,1125 1.357,1126 1.678,1127 0.567,1128 1.677,1129 1.127,1130 1.082,1131 1.277,1132 1.424,1133 0.405,1134 1.397,1135 1.009,1136 1.018,1137 1.147,1138 1.242,1139 0.181,1140 1.217,1141 0.883,1142 0.839,1143 1.139,1144 1.219,1145 0.147,1146 1.195,1147 4.29,1149 5.666,1150 3.045,1151 7.217,1152 5.476,1153 8.847,1154 7.627,1155 10.518,1156 3.104,1161 5.733,1162 30.512,1163 -0.729,1164 1.642,1165 10.313,1166 -5.475,1170 34.22,1171 103.709,1172 227.299,1173 262.683,1174 274.193,1175 276.193,1176 276.193,1177 99.718,1178 7.89,1179 212.01,1180 220.39,1181 22,1182 12.901,1183 4.322,1184 3.585,1185 54.577,1186 155,1187 154,1188 0.171,1189 216.628,1190 373.51,1191 520.332,1192 31509,1193 2,1194 23.913,1195 0.725,1196 0.571,1197 25.163,1198 18.841,1199 15.57,1200 0.433,1201 0.317,1202 9.134,1203 13.283,1204 8.919,1205 7.241,1206 17.001,1207 11.419,1208 15.299,1209 0.283,1210 0.171,1211 17.424,1212 9.224,1213 12.529,1214 0.176,1215 0.087,1216 13.902,1217 6.183,1218 10.465,1219 0.113,1220 0.046,1221 11.854,1222 4.263,1223 7.494,1224 0.069,1225 0.026,1226 8.61,1227 2.787,1228 0.273,1229 117.877,1230 0.209,1231 30.824,1232 0.457,1233 180,1234 716.867,1235 312.2,1236 722.045,1237 941.86,1238 662,1239 215,1240 616.716,1241 321.692,1242 662.424,1243 978.51,1244 619,1245 7.678}
{0 CHEMBL1162037,1 1.935,2 13.273,3 -0.984,4 0.969,5 111.498,6 9.066,7 0.444,8 4.14,9 4.222,10 3.966,11 3.552,12 5.382,13 3.601,14 4.677,15 4.79,16 4.295,17 3.944,18 6.152,19 3.988,20 4.915,21 5.044,22 4.382,23 4.063,24 6.319,25 4.087,26 5.024,27 5.192,28 4.379,29 4.037,30 6.544,31 4.049,32 4.945,33 5.12,34 4.316,35 3.964,36 6.31,37 3.956,38 4.857,39 5,40 4.299,41 3.86,42 6.489,43 3.899,44 4.81,45 4.963,46 4.092,47 3.758,48 6.38,49 3.78,50 4.631,51 4.795,52 3.986,53 3.695,54 6.068,55 3.685,56 0.403,57 0.832,58 11.339,59 4.404,60 60.281,61 4.432,62 1.095,63 1.249,64 18.615,65 7.474,66 119.592,67 8.018,68 1.452,69 1.434,70 27.638,71 9.681,72 164.585,73 10.438,74 1.851,75 1.435,76 34.584,77 9.981,78 237.846,79 11.46,80 1.667,81 1.303,82 36.132,83 9.69,84 194.033,85 10.648,86 1.61,87 1.171,88 34.897,89 8.927,90 232.944,91 9.594,92 1.716,93 1.069,94 27.976,95 7.384,96 229.312,97 7.548,98 1.043,99 0.991,100 26.837,101 7.416,102 152.308,103 8.387,104 65,105 54,106 0.319,107 0.733,108 0.869,109 0.905,110 0.911,111 0.911,112 3.532,113 0.911,114 -2.4,115 -2.43,116 -2.38,119 34,120 1,125 1,127 3,128 1,134 3,135 2,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 5,159 7,160 1,162 1,163 5,165 3,166 6,168 3,169 1,170 1,171 4,172 1,173 3,175 3,177 6,178 5,180 2,181 5,182 1,183 4,185 1,187 3,188 4,190 4,192 1,197 1,198 7,200 1,201 8,202 1,203 1,211 5,212 4,215 4,216 2,219 1,224 4,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 5,240 2,246 1883,247 21.361,248 21.361,249 21.361,250 21.361,251 21.361,252 18.925,253 23.143,254 11.98,255 21.892,256 17.668,257 17.668,258 17.668,259 17.668,260 17.668,261 13.91,262 26.239,263 5.616,264 18.634,265 3.793,266 1.281,267 0.458,268 0.241,269 0.203,270 0.203,271 4.216,276 945,277 4.183,280 177.16,281 224.859,282 148.583,284 1.978,285 72.087,286 0.5,287 0.5,288 0.67,289 0.6,291 0.5,292 0.5,293 0.47,294 77,295 438,296 4.705,297 4.473,298 6.924,299 4.245,300 3.303,301 4.581,302 1.579,303 11.611,304 3.21,305 4.641,306 3.586,307 6.765,308 4.206,309 3.233,310 4.489,311 1.041,312 11.105,313 3.041,314 4.319,315 3.554,316 6.528,317 3.943,318 2.999,319 3.972,320 0.98,321 10.114,322 2.892,323 4.14,324 3.128,325 6.355,326 3.904,327 2.917,328 3.324,330 9.548,331 2.803,332 3.662,333 2.8,334 5.891,335 3.315,336 2.389,337 2.984,339 7.931,340 2.263,341 3.633,342 2.595,343 5.238,344 3.256,345 2.25,346 2.92,347 6.244,348 2.201,349 3.098,350 2.248,351 5.146,352 2.829,353 1.903,354 2.324,355 5.87,356 1.753,357 3.058,358 2.236,359 4.788,360 2.68,361 1.707,362 2.248,363 4.724,364 1.645,365 3.029,366 1.969,367 4.629,368 2.483,369 1.59,370 2.111,371 4.565,372 1.415,373 2.734,374 1.549,375 4.144,376 2.444,377 1.542,378 1.764,379 3.671,380 1.386,381 2.663,382 1.471,383 4.069,384 2.177,385 1.175,386 1.686,387 3.008,388 1.172,389 2.413,390 1.464,391 3.936,392 1.945,393 1.04,394 1.386,395 2.925,396 0.937,397 2.101,398 1.239,399 3.499,400 1.666,401 0.771,402 0.996,403 1.83,404 0.688,405 1.773,406 0.899,407 3.303,408 1.556,409 0.695,410 0.73,411 1.695,412 0.592,413 1.261,414 0.753,415 2.981,416 0.934,417 -0.008,418 -0.009,419 -0.02,420 -0.007,421 14.9,422 0.452,423 1.188,424 0.036,425 42.75,426 1.295,427 19.5,428 0.591,429 23.25,430 0.705,431 28.101,432 0.852,433 37.9,434 0.715,435 38.973,436 1.181,437 8.498,438 0.258,439 7.072,440 0.214,441 0.195,442 0.056,443 0.396,447 0.895,448 1.565,449 0.763,450 1.358,451 0.907,452 0.915,453 0.782,454 0.966,455 0.772,456 0.912,457 0.65,458 0.87,459 1.007,460 1.245,461 1,462 1.196,463 0.939,464 1.122,465 1.022,466 0.95,467 0.988,468 0.971,469 0.963,470 1.008,471 1.139,472 0.926,473 1.141,474 1.033,475 1.166,476 0.954,477 1.088,478 1.1,479 1.271,480 1.319,481 1.107,482 1.004,483 1.45,484 0.74,485 1.26,486 0.811,487 1.58,488 1.002,489 1.097,490 1.208,491 1.289,492 1.385,493 1.141,494 1.14,495 8.5,496 0.304,497 5.333,498 3.736,499 2.327,500 1.517,501 0.92,502 0.641,503 0.413,504 0.325,505 15762,506 57314,507 2.001,508 37.7,509 3,510 8,511 1,512 2,513 6,518 1.75,519 1.808,520 3.655,521 3.336,524 102.573,525 1.935,526 4.447,527 5.27,528 5.487,529 5.525,530 5.525,531 3.086,532 4.802,533 5.019,534 3.851,535 2033.5,536 8.776,537 30707.1,539 303.58,540 1.71,541 4.933,542 0.236,543 0.01,544 0.099,545 0.068,546 0.046,547 0.034,548 0.02,549 0.017,550 0.012,551 0.01,552 0.551,553 0.17,554 0.75,555 0.648,556 176.187,557 -0.143,558 -0.264,559 0.15,560 -0.128,561 -0.226,562 0.045,563 0.136,564 0.184,565 0.024,566 0.081,567 0.117,568 0.043,569 -0.015,570 -0.197,571 -0.079,572 -0.162,573 -0.054,574 -0.163,575 0.038,576 0.008,577 0.006,578 -0.016,579 0.076,580 -0.052,581 -0.07,582 0.033,583 0.021,584 0.041,585 -0.123,586 0.036,587 0.077,588 -0.122,589 -0.042,590 -0.166,591 0.138,592 -0.03,593 -0.183,594 0.186,595 -0.243,596 0.104,597 -0.186,598 -0.119,599 -0.106,600 -0.21,601 -0.1,602 -0.219,603 -0.048,604 -0.112,605 5.552,606 5.181,607 0.606,608 34.127,609 1.047,610 1.141,611 1.168,612 1.365,613 0.654,614 3.611,615 4.007,616 4.277,617 4.543,618 4.7,619 4.82,620 4.875,621 5.024,622 5.011,623 5.03,624 7.727,625 0.655,626 480.51,627 3.611,628 5.198,629 6.066,630 6.976,631 7.86,632 8.772,633 9.662,634 10.576,635 11.471,636 12.385,637 11.3,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,666 53,667 19,668 1,669 36,671 56,672 18,673 11,674 3,675 3,676 1,677 4,678 5,681 1,683 3,686 3,688 12,689 6,691 3,693 1,694 3,697 1,700 20,701 13,702 6,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,735 1,739 33,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 15.1,755 2,756 1,757 3,758 2,761 18.25,762 9.233,763 7,764 2.668,765 2.863,766 1.363,767 0.907,768 6.346,769 10.753,770 3.871,771 4.53,772 5.038,773 5.608,774 6.033,775 6.323,776 6.567,777 6.901,778 6.857,779 6.975,780 0.889,781 55,782 12.921,783 6.39,784 8.376,785 21.989,786 18.386,787 2.876,788 94.917,789 164.795,790 83.858,791 101.558,793 217.053,795 7.511,796 76.347,797 381.849,798 101.558,799 8.825,800 20.997,801 154.204,802 220.624,803 19.033,804 14.099,805 129.482,807 164.795,808 177.905,809 217.053,810 7.511,812 164.795,813 112.141,814 104.912,815 52.818,816 74.73,817 57.868,819 164.795,820 318.611,821 83.858,823 7.511,824 164.795,825 21.856,826 56.39,827 16.405,828 300.307,829 164.795,830 318.611,831 83.858,833 0.606,834 0.355,835 0.185,836 0.093,837 27,838 14,839 0.107,840 6,841 1,842 1.1,843 4.255,844 308.358,845 0.1,846 20,847 164.465,848 1,849 23.469,850 8.924,851 4.685,852 0.491,853 316.712,854 6.543,855 11.893,856 0.102,857 1.317,858 177.352,859 567.265,860 47,862 -4.635,863 36.538,866 -1.111,867 55.491,868 60.491,869 0.338,870 0.776,871 0.92,872 0.958,873 0.965,874 0.965,875 5.159,876 1.707,877 6.12,878 5.87,879 4.691,880 5.218,881 2.31,882 7.009,883 4.588,884 6.417,885 1.59,886 7.743,887 4.724,888 4.575,889 5.38,891 8.186,892 4.46,893 7.781,894 1.542,895 9.467,896 4.565,897 6.412,898 7.539,899 2.87,900 11.231,901 6.228,902 9.181,903 1.175,904 11.247,905 3.671,906 7.057,907 8.482,909 13.163,910 6.855,911 10.613,912 1.04,913 13.062,914 3.008,915 8.445,916 10.214,917 3.593,918 15.785,919 8.187,920 12.066,921 0.771,922 14.9,923 2.925,924 9.397,925 11.475,927 18.001,928 9.111,929 13.536,930 0.695,931 16.754,932 1.83,933 10.634,934 13.062,935 4.417,936 20.487,937 10.301,938 3.303,939 -0.008,940 18.62,941 1.695,942 11.711,943 14.458,945 22.817,946 11.343,947 3.233,948 11.611,949 20.495,950 -0.02,951 12.898,952 15.992,953 5.291,954 25.257,955 12.487,956 2.999,957 11.105,958 22.377,959 4.581,960 14.026,961 17.448,963 27.636,964 13.578,965 2.917,966 10.114,967 24.264,968 4.489,969 15.197,970 18.963,971 6.188,972 30.063,973 14.709,974 2.389,975 9.548,976 26.155,977 3.972,978 16.347,979 20.445,981 32.466,982 15.823,983 2.25,984 7.931,985 28.051,986 3.324,987 17.515,988 21.954,989 7.095,990 34.89,991 16.952,992 1.903,993 6.244,994 29.949,995 2.984,996 18.677,997 23.45,999 37.305,1000 18.077,1001 15088,1002 28968,1003 22.887,1004 34.648,1005 55.382,1006 57.933,1007 58.429,1008 54.931,1009 55.028,1010 71.028,1011 7.2,1012 169.685,1013 51.994,1014 5.683,1015 6.473,1016 6.453,1017 5.361,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.21,1023 21.498,1024 1.538,1025 1.609,1026 1.623,1027 1.526,1028 1.529,1029 1.973,1030 0.2,1031 4.713,1032 1.444,1033 4.11,1034 4.158,1035 4.709,1036 3.932,1037 7.725,1038 3.95,1039 3.995,1040 3.991,1041 4.08,1042 3.882,1043 7.428,1044 3.885,1045 3.87,1046 3.857,1047 3.882,1048 3.779,1049 6.999,1050 3.695,1051 3.756,1052 3.75,1053 3.711,1054 3.579,1055 6.495,1056 3.574,1057 3.348,1058 3.424,1059 3.27,1060 3.141,1061 6.468,1062 3.151,1063 3.294,1064 3.328,1065 3.243,1066 3.078,1067 6.4,1068 3.1,1069 3.106,1070 3.162,1071 2.973,1072 2.864,1073 5.271,1074 2.872,1075 2.99,1076 3.102,1077 2.879,1078 2.746,1079 4.856,1080 2.75,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.705,1087 0.127,1088 4.473,1089 0.044,1090 6.924,1091 0.323,1092 4.245,1093 0.089,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.21,1099 1.921,1100 1.906,1101 2.02,1102 2.021,1103 1.172,1104 2.024,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.132,1110 1.965,1111 1.649,1112 1.682,1113 1.777,1114 1.864,1115 0.998,1116 1.877,1117 1.557,1118 1.532,1119 1.651,1120 1.805,1121 0.758,1122 1.777,1123 1.45,1124 1.422,1125 1.555,1126 1.693,1127 0.655,1128 1.687,1129 1.232,1130 1.202,1131 1.353,1132 1.465,1133 0.514,1134 1.475,1135 1.108,1136 1.052,1137 1.225,1138 1.392,1139 0.392,1140 1.384,1141 0.883,1142 0.839,1143 1.147,1144 1.225,1145 0.151,1146 1.213,1147 4.29,1149 5.666,1150 3.045,1151 7.217,1152 5.476,1153 8.847,1154 7.627,1155 10.518,1157 1.685,1161 5.735,1162 30.551,1163 -0.721,1164 1.657,1165 10.327,1166 -5.455,1170 34.721,1171 102.573,1172 235.666,1173 279.315,1174 290.825,1175 292.825,1176 292.825,1177 99.377,1178 7.89,1179 212.01,1180 220.39,1181 22,1182 12.901,1183 4.322,1184 3.585,1185 54.577,1186 155,1187 154,1188 0.171,1189 214.306,1190 371.53,1191 514.668,1192 31509,1194 23.913,1195 0.725,1196 0.542,1197 24.163,1198 17.877,1199 15.57,1200 0.433,1201 0.304,1202 9.397,1203 13.856,1204 9.163,1205 7.499,1206 16.424,1207 10.937,1208 15.299,1209 0.283,1210 0.161,1211 16.608,1212 8.668,1213 12.529,1214 0.176,1215 0.083,1216 13.377,1217 5.883,1218 10.465,1219 0.113,1220 0.044,1221 11.316,1222 4.05,1223 7.494,1224 0.069,1225 0.024,1226 8.243,1227 2.631,1228 0.273,1229 109.506,1230 0.209,1231 30.824,1232 0.457,1233 180,1234 698.213,1235 246.33,1236 668.809,1237 883.06,1238 614,1239 215,1240 602.983,1241 293.428,1242 637.631,1243 941.37,1244 595,1245 7.854}
{0 CHEMBL1162038,1 2.165,2 14.167,3 -0.528,4 0.279,5 112.43,6 10.085,7 0.41,8 4.164,9 4.237,10 4.047,11 3.547,12 5.481,13 3.632,14 4.724,15 4.821,16 4.446,17 3.938,18 6.537,19 4.028,20 4.937,21 5.057,22 4.489,23 4.056,24 6.453,25 4.124,26 5.063,27 5.217,28 4.494,29 4.028,30 6.694,31 4.098,32 4.98,33 5.14,34 4.451,35 3.957,36 6.593,37 3.999,38 4.88,39 5.015,40 4.363,41 3.855,42 6.561,43 3.928,44 4.841,45 4.98,46 4.264,47 3.753,48 6.669,49 3.818,50 4.66,51 4.813,52 4.193,53 3.686,54 6.129,55 3.726,56 0.619,57 1.007,58 8.339,59 4.464,60 108.764,61 3.583,62 1.731,63 1.832,64 14.921,65 7.656,66 248.556,67 6.567,68 1.941,69 1.655,70 23.414,71 9.764,72 250.782,73 9.115,74 2.525,75 1.675,76 31.131,77 10.136,78 364.901,79 9.347,80 2.358,81 1.394,82 33.488,83 9.76,84 337.461,85 9.394,86 2.03,87 1.216,88 32.901,89 8.954,90 319.279,91 8.465,92 2.187,93 1.102,94 24.594,95 7.366,96 333.997,97 6.885,98 1.465,99 1.152,100 24.965,101 7.586,102 257.851,103 7.068,104 102,105 60,106 0.357,107 0.759,108 0.869,109 0.905,110 0.911,111 0.911,112 3.615,113 0.866,114 -3.01,115 -3.01,116 -2.91,119 34,125 1,127 3,128 1,129 1,134 3,135 2,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,160 1,162 1,163 5,165 3,166 4,168 3,169 1,170 1,171 4,172 1,173 3,175 2,177 6,178 5,180 2,181 5,182 1,183 3,187 3,188 4,190 4,192 1,197 1,198 6,200 1,201 8,202 1,211 5,212 4,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 5,240 2,246 2366,247 22.833,248 22.833,249 22.833,250 22.833,251 22.833,252 20.488,253 25.173,254 12.621,255 23.615,256 19.142,257 19.142,258 19.142,259 19.142,260 19.142,261 15.448,262 28.922,263 5.903,264 20.595,265 3.562,266 1.125,267 0.458,268 0.241,269 0.203,270 0.203,271 4.296,276 1091,277 4.848,280 201.712,281 250.955,282 169.046,284 2.176,285 99.013,286 0.25,287 0.5,288 0.5,289 0.3,291 0.33,292 0.5,293 0.34,294 87.5,295 510,296 4.706,297 4.474,298 7.119,299 4.253,300 3.334,301 4.581,302 3.825,303 11.706,304 3.212,305 4.641,306 4.461,307 6.924,308 4.216,309 3.302,310 4.489,311 1.579,312 11.611,313 3.041,314 4.492,315 3.586,316 6.763,317 4.174,318 3.224,319 4.046,320 1.041,321 11.1,322 2.972,323 4.168,324 3.552,325 6.528,326 3.937,327 2.997,328 3.457,329 0.98,330 10.114,331 2.805,332 4.139,333 3.128,334 6.337,335 3.817,336 2.848,337 3.324,339 9.47,340 2.685,341 3.661,342 2.704,343 5.891,344 3.314,345 2.388,346 2.92,347 7.931,348 2.203,349 3.316,350 2.594,351 5.237,352 2.906,353 1.946,354 2.48,355 5.878,356 1.833,357 3.058,358 2.244,359 4.953,360 2.82,361 1.885,362 2.324,363 5.538,364 1.745,365 3.03,366 1.969,367 4.786,368 2.483,369 1.591,370 2.112,371 4.714,372 1.415,373 2.883,374 1.88,375 4.48,376 2.445,377 1.542,378 2.012,379 4.158,380 1.386,381 2.733,382 1.549,383 4.144,384 2.442,385 1.507,386 1.763,387 3.671,388 1.382,389 2.598,390 1.47,391 4.069,392 2.114,393 1.123,394 1.583,395 2.99,396 1.098,397 2.413,398 1.451,399 3.936,400 1.945,401 1.04,402 1.386,403 2.924,404 0.937,405 2.101,406 1.239,407 3.502,408 1.666,409 0.771,410 0.996,411 1.83,412 0.688,413 1.772,414 0.899,415 3.303,416 1.555,417 0.693,418 0.729,419 1.692,420 0.591,421 15.757,422 0.438,423 1.476,424 0.041,425 45,426 1.25,427 19.5,428 0.542,429 25.5,430 0.708,431 31.488,432 0.875,433 42.443,434 0.801,435 45.616,436 1.267,437 9.137,438 0.254,439 7.644,440 0.212,441 0.207,442 0.085,443 0.374,444 3,447 0.828,448 1.241,449 0.71,450 1.35,451 0.825,452 0.888,453 0.665,454 0.758,455 0.735,456 0.905,457 0.544,458 0.886,459 0.889,460 1.026,461 0.946,462 1.19,463 0.774,464 1.124,465 1.098,466 0.939,467 1.082,468 0.968,469 1.013,470 1.043,471 0.943,472 0.814,473 1.129,474 1.022,475 0.906,476 0.987,477 0.99,478 0.878,479 1.315,480 1.301,481 0.956,482 1.063,483 0.961,484 0.55,485 1.134,486 0.8,487 0.978,488 1.035,489 0.999,490 1.03,491 1.112,492 1.381,493 1.079,494 1.18,495 10.5,496 0.32,497 6.222,498 4.111,499 2.687,500 1.761,501 1.124,502 0.641,503 0.611,504 0.365,505 20073,506 91823,507 1.963,508 32.1,510 8,511 1,512 2,513 6,518 1.771,519 1.756,520 3.743,521 3.289,524 114.77,525 2.165,526 4.602,527 5.27,528 5.487,529 5.525,530 5.525,531 3.216,532 4.628,533 5.144,534 3.983,535 2509.26,536 9.021,537 40875.1,539 303.58,540 1.802,541 5.041,542 0.269,543 0.009,544 0.104,545 0.067,546 0.047,547 0.035,548 0.022,549 0.015,550 0.017,551 0.009,552 0.594,553 0.17,554 0.75,555 0.801,556 198.374,557 -0.158,558 -0.197,559 0.104,560 -0.127,561 -0.194,562 0.054,563 0.208,564 0.303,565 0.004,566 0.09,567 0.254,568 -0.005,569 -0.065,570 -0.196,571 -0.055,572 -0.166,573 -0.037,574 -0.134,575 -0.138,576 -0.068,577 -0.092,578 -0.019,579 -0.078,580 -0.065,581 -0.01,582 -0.001,583 0.028,584 0.04,585 -0.008,586 0.049,587 -0.058,588 -0.106,589 -0.12,590 -0.163,591 -0.011,592 -0.039,593 0.032,594 0.181,595 -0.135,596 0.104,597 0.051,598 -0.108,599 -0.124,600 -0.197,601 0.068,602 -0.228,603 -0.173,604 -0.106,605 6.047,606 5.158,607 0.556,608 40.287,609 1.076,610 1.161,611 1.783,612 3.179,613 0.65,614 3.689,615 4.111,616 4.357,617 4.605,618 4.779,619 4.913,620 5.024,621 5.063,622 5.124,623 5.069,624 8.427,625 0.677,626 534.48,627 3.689,628 5.293,629 6.159,630 7.077,631 7.961,632 8.878,633 9.769,634 10.685,635 11.581,636 12.496,637 11.3,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,666 53,667 19,668 1,669 39,671 56,672 18,673 11,674 3,675 3,676 1,677 4,678 5,681 1,683 3,685 1,686 3,688 12,689 6,691 3,693 1,694 3,697 1,699 3,700 17,701 16,702 6,703 18,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,737 3,739 36,740 1,742 1,743 3,744 1,745 1,746 2,747 4,749 1,753 3,754 15.1,755 2,756 1,757 3,758 2,761 20.5,762 8.912,763 7.5,764 2.588,765 2.908,766 1.36,767 0.909,768 6.934,769 10.991,770 3.932,771 4.593,772 5.095,773 5.657,774 6.096,775 6.41,776 6.724,777 6.922,778 6.958,779 6.994,780 1,781 61,782 14.953,783 8.193,784 8.782,785 23.237,786 19.48,787 3.282,788 118.167,789 129.482,790 82.792,791 101.558,793 217.053,794 44.88,795 7.511,796 75.281,797 346.535,798 146.438,800 20.997,801 154.204,802 220.624,803 63.913,804 14.099,805 94.169,806 7.76,807 129.482,808 176.839,809 261.934,810 7.511,812 129.482,813 157.022,814 104.912,815 51.753,816 74.73,817 57.868,819 174.362,820 318.611,821 82.792,823 7.511,824 137.242,825 21.856,826 47.565,827 16.405,828 345.187,829 129.482,830 363.491,831 82.792,833 0.615,834 0.352,835 0.176,836 0.091,837 30,838 16,839 0.107,840 6,841 1,842 1.1,843 4.435,844 346.498,845 0.1,846 20,847 179.362,848 1,849 26.188,850 9.532,851 5.308,852 0.357,853 361.592,854 3.667,855 11.755,856 -3.088,857 1.241,858 177.352,859 575.766,860 50,862 -4.886,863 36.465,866 -1.478,867 57.029,868 61.511,869 0.378,870 0.804,871 0.92,872 0.958,873 0.965,874 0.965,875 5.242,876 1.885,877 6.244,878 5.878,879 4.796,880 5.281,881 3.398,882 7.16,883 4.658,884 6.515,885 1.591,886 7.89,887 5.538,888 4.796,889 5.485,890 3.903,891 8.46,892 4.579,893 7.891,894 1.542,895 9.642,896 4.714,897 6.575,898 7.601,899 5.491,900 11.467,901 6.316,902 9.302,903 1.507,904 11.452,905 4.158,906 7.307,907 8.562,908 6.69,909 13.481,910 6.969,911 10.743,912 1.123,913 13.296,914 3.671,915 8.674,916 10.273,917 8.069,918 16.096,919 8.29,920 12.203,921 1.04,922 15.163,923 2.99,924 9.681,925 11.538,926 9.388,927 18.362,928 9.225,929 13.679,930 0.771,931 17.044,932 2.924,933 10.918,934 13.114,935 10.736,936 20.855,937 10.41,938 3.334,939 0.693,940 18.937,941 1.83,942 12.028,943 14.509,944 12.074,945 23.219,946 11.454,947 3.302,948 11.706,949 20.838,950 1.692,951 13.223,952 16.036,953 13.417,954 25.672,955 12.595,956 3.224,957 11.611,958 22.745,959 4.581,960 14.374,961 17.488,962 14.758,963 28.077,964 13.685,965 2.997,966 11.1,967 24.657,968 4.489,969 15.557,970 18.999,971 16.1,972 30.518,973 14.813,974 2.848,975 10.114,976 26.574,977 4.046,978 16.725,979 20.478,980 17.441,981 32.941,982 15.924,983 2.388,984 9.47,985 28.493,986 3.457,987 17.906,988 21.984,989 18.783,990 35.38,991 17.051,992 1.946,993 7.931,994 30.415,995 3.324,996 19.083,997 23.477,998 20.124,999 37.813,1000 18.172,1001 19339,1002 41586,1003 24.274,1004 34.46,1005 60.962,1006 62.45,1007 63.639,1008 60.48,1009 60.386,1010 76.404,1011 14.851,1012 190.653,1013 55.984,1014 5.684,1015 6.474,1016 6.648,1017 5.369,1018 5.334,1019 7.581,1020 5.405,1021 19.415,1022 5.212,1023 25.718,1024 1.563,1025 1.601,1026 1.632,1027 1.551,1028 1.548,1029 1.959,1030 0.381,1031 4.889,1032 1.435,1033 4.11,1034 4.158,1035 4.709,1036 3.932,1037 8.513,1038 3.95,1039 4,1040 3.998,1041 4.081,1042 3.882,1043 7.999,1044 3.889,1045 3.88,1046 3.86,1047 3.917,1048 3.779,1049 7.999,1050 3.696,1051 3.758,1052 3.753,1053 3.711,1054 3.579,1055 7.725,1056 3.575,1057 3.398,1058 3.434,1059 3.435,1060 3.136,1061 7.428,1062 3.182,1063 3.332,1064 3.39,1065 3.265,1066 3.077,1067 6.999,1068 3.108,1069 3.123,1070 3.176,1071 3.032,1072 2.864,1073 6.495,1074 2.877,1075 2.997,1076 3.102,1077 2.96,1078 2.746,1079 6.468,1080 2.751,1081 0.121,1082 0.115,1083 0.183,1084 0.109,1085 0.085,1086 4.706,1087 0.117,1088 4.474,1089 0.098,1090 7.119,1091 0.3,1092 4.253,1093 0.082,1094 3.334,1095 4.581,1096 3.825,1097 11.706,1098 3.212,1099 1.913,1100 1.901,1101 1.98,1102 2.023,1103 1.172,1104 2.014,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.101,1110 1.965,1111 1.648,1112 1.681,1113 1.777,1114 1.864,1115 0.997,1116 1.872,1117 1.556,1118 1.532,1119 1.651,1120 1.805,1121 0.757,1122 1.776,1123 1.446,1124 1.421,1125 1.368,1126 1.695,1127 0.577,1128 1.683,1129 1.17,1130 1.164,1131 1.324,1132 1.476,1133 0.41,1134 1.413,1135 1.094,1136 1.049,1137 1.148,1138 1.398,1139 0.239,1140 1.345,1141 0.883,1142 0.839,1143 1.142,1144 1.225,1145 0.147,1146 1.212,1147 4.369,1149 5.765,1150 3.045,1151 7.33,1152 5.476,1153 8.968,1154 7.627,1155 10.645,1159 38.091,1161 5.704,1162 30.365,1163 -0.875,1164 1.415,1165 10.127,1166 -5.896,1168 -4.797,1170 35.871,1171 114.77,1172 243.931,1173 279.315,1174 290.825,1175 292.825,1176 292.825,1177 132.34,1178 8.083,1179 212.01,1180 220.39,1181 22,1182 13.011,1183 4.322,1184 3.585,1185 62.482,1186 186,1187 160,1188 0.164,1189 217.901,1190 389.74,1191 523.439,1192 40740,1193 5.7,1194 26.413,1195 0.734,1196 0.514,1197 24.163,1198 18.511,1199 16.782,1200 0.43,1201 0.289,1202 9.638,1203 14.771,1204 9.526,1205 7.702,1206 16.424,1207 11.254,1208 17.256,1209 0.288,1210 0.148,1211 16.608,1212 8.877,1213 13.492,1214 0.175,1215 0.079,1216 13.377,1217 6.055,1218 10.983,1219 0.111,1220 0.042,1221 11.316,1222 4.117,1223 8.118,1224 0.069,1225 0.023,1226 8.243,1227 2.676,1228 0.263,1229 119.023,1230 0.203,1231 33.209,1232 0.432,1233 198,1234 974.546,1235 281.347,1236 848.463,1237 1090.54,1238 776,1239 236,1240 726.983,1241 324.905,1242 740.731,1243 1113.84,1244 691,1245 5.359}
{0 CHEMBL1162039,1 1.973,2 13.273,3 -2.217,4 4.916,5 111.157,6 9.26,7 0.444,8 4.132,9 4.219,10 3.968,11 3.522,12 5.406,13 3.584,14 4.654,15 4.76,16 4.298,17 3.916,18 6.161,19 3.972,20 4.905,21 5.037,22 4.385,23 4.031,24 6.332,25 4.067,26 5.003,27 5.168,28 4.382,29 4.006,30 6.56,31 4.028,32 4.925,33 5.099,34 4.316,35 3.941,36 6.304,37 3.94,38 4.846,39 4.987,40 4.304,41 3.84,42 6.514,43 3.885,44 4.793,45 4.946,46 4.096,47 3.73,48 6.37,49 3.763,50 4.618,51 4.782,52 3.994,53 3.663,54 6.142,55 3.662,56 0.44,57 0.826,58 10.863,59 4.02,60 69.117,61 3.959,62 1.103,63 1.226,64 16.876,65 7.011,66 121.345,67 7.33,68 1.523,69 1.394,70 26.824,71 9.068,72 179.477,73 9.735,74 1.902,75 1.367,76 32.928,77 9.34,78 252.732,79 10.631,80 1.69,81 1.247,82 34.774,83 9.224,84 201.023,85 10.108,86 1.659,87 1.12,88 34.038,89 8.638,90 246.664,91 9.227,92 1.721,93 1.021,94 27.134,95 6.883,96 234.816,97 7.194,98 1.13,99 0.944,100 25.004,101 6.845,102 175.186,103 7.947,104 65,105 54,106 0.326,107 0.74,108 0.862,109 0.911,110 0.918,111 0.918,112 3.532,113 0.894,114 -1.73,115 -1.79,116 -1.81,119 32.7,125 1,127 3,128 1,134 3,135 1,136 2,138 1,139 1,140 1,147 1,149 1,150 1,152 2,153 2,154 2,157 2,159 7,160 1,162 1,163 5,165 5,166 3,167 2,168 3,169 1,170 1,171 4,172 1,173 3,175 1,176 1,177 6,178 5,180 2,181 5,182 2,183 4,184 1,186 1,187 3,188 3,190 4,197 1,198 6,200 2,201 9,202 2,205 1,211 5,212 1,215 4,216 2,219 1,224 1,226 3,227 5,228 1,229 1,231 1,234 6,235 3,237 1,238 5,240 2,246 1883,247 21.361,248 21.361,249 21.361,250 21.361,251 21.361,252 18.925,253 23.88,254 11.98,255 21.912,256 17.668,257 17.668,258 17.668,259 17.668,260 17.668,261 13.91,262 27.666,263 5.616,264 18.673,265 3.728,266 1.226,267 0.491,268 0.192,269 0.154,270 0.154,271 4.216,276 945,277 4.183,280 177.16,281 224.859,282 148.583,284 1.978,285 74.508,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 77.5,295 438,296 4.705,297 4.473,298 6.924,299 4.245,300 3.303,301 4.581,302 1.579,303 11.611,304 3.21,305 4.641,306 3.586,307 6.765,308 4.206,309 3.233,310 4.489,311 1.041,312 11.105,313 3.041,314 4.319,315 3.554,316 6.528,317 3.942,318 2.999,319 3.972,320 0.98,321 10.114,322 2.886,323 4.14,324 3.128,325 6.355,326 3.902,327 2.917,328 3.324,330 9.548,331 2.803,332 3.662,333 2.776,334 5.891,335 3.315,336 2.389,337 2.984,339 7.931,340 2.224,341 3.633,342 2.595,343 5.238,344 3.239,345 2.25,346 2.92,347 6.244,348 2.199,349 3.098,350 2.245,351 5.146,352 2.829,353 1.903,354 2.324,355 5.87,356 1.752,357 3.058,358 2.167,359 4.788,360 2.674,361 1.707,362 2.248,363 4.724,364 1.634,365 3.029,366 1.969,367 4.629,368 2.483,369 1.59,370 2.111,371 4.565,372 1.415,373 2.734,374 1.549,375 4.144,376 2.444,377 1.542,378 1.764,379 3.671,380 1.386,381 2.663,382 1.471,383 4.069,384 2.175,385 1.175,386 1.686,387 3.008,388 1.169,389 2.413,390 1.462,391 3.936,392 1.945,393 1.04,394 1.386,395 2.925,396 0.937,397 2.101,398 1.239,399 3.499,400 1.666,401 0.771,402 0.996,403 1.83,404 0.688,405 1.773,406 0.899,407 3.303,408 1.556,409 0.695,410 0.73,411 1.695,412 0.592,413 1.261,414 0.752,415 2.981,416 0.92,417 -0.008,418 -0.009,419 -0.02,420 -0.007,421 14.8,422 0.448,423 1.188,424 0.036,425 43.5,426 1.318,427 20,428 0.606,429 23.5,430 0.712,431 27.028,432 0.819,433 38,434 0.731,435 40.046,436 1.214,437 8.68,438 0.263,439 6.89,440 0.209,441 0.189,442 0.056,443 0.399,447 0.948,448 1.548,449 0.774,450 1.325,451 0.955,452 0.865,453 0.807,454 1.036,455 0.785,456 0.955,457 0.664,458 0.903,459 1.035,460 1.25,461 1.006,462 1.19,463 0.957,464 1.112,465 1.031,466 0.942,467 1.003,468 0.972,469 0.962,470 1.018,471 1.129,472 0.936,473 1.146,474 1.056,475 1.142,476 0.967,477 1.063,478 1.047,479 1.282,480 1.332,481 1.072,482 1.022,483 1.414,484 0.775,485 1.244,486 0.856,487 1.528,488 1.023,489 1.027,490 1.134,491 1.205,492 1.303,493 1.071,494 1.141,495 8.5,496 0.304,497 5.333,498 3.736,499 2.327,500 1.517,501 0.92,502 0.641,503 0.413,504 0.325,505 15762,506 59922,507 2.001,508 36.5,510 8,511 1,512 2,513 8,518 1.75,519 1.808,520 3.655,521 5.114,524 102.574,525 1.973,526 4.475,527 5.21,528 5.508,529 5.547,530 5.547,531 3.086,532 4.802,533 5.019,534 3.851,535 2033.5,536 8.776,537 30707.1,539 296.423,540 1.71,541 4.933,542 0.236,543 0.01,544 0.099,545 0.068,546 0.046,547 0.034,548 0.02,549 0.017,550 0.012,551 0.01,552 0.551,553 0.17,554 0.63,555 0.648,556 176.187,557 -0.193,558 -0.229,559 0.131,560 -0.094,561 -0.258,562 0.082,563 0.106,564 0.133,565 -0.01,566 0.051,567 0.103,568 0.004,569 -0.045,570 -0.205,571 -0.082,572 -0.154,573 -0.071,574 -0.15,575 0.029,576 0.009,577 -0.007,578 -0.01,579 0.076,580 -0.058,581 -0.078,582 0.015,583 0.022,584 0.036,585 -0.124,586 0.041,587 0.091,588 -0.076,589 -0.052,590 -0.162,591 0.154,592 -0.037,593 -0.182,594 0.132,595 -0.227,596 0.072,597 -0.193,598 -0.122,599 -0.032,600 -0.15,601 -0.066,602 -0.178,603 0.019,604 -0.117,605 5.583,606 5.154,607 0.606,608 34.127,609 1.052,610 1.146,611 0.498,612 0.248,613 0.652,614 3.611,615 4.007,616 4.277,617 4.543,618 4.7,619 4.82,620 4.875,621 5.024,622 5.011,623 5.03,624 7.727,625 0.658,626 481.5,627 3.611,628 5.198,629 6.066,630 6.976,631 7.86,632 8.772,633 9.662,634 10.576,635 11.471,636 12.385,637 13.5,640 2,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 2,663 1,666 52,667 19,668 1,669 36,671 55,672 17,673 11,674 3,675 3,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 19,701 14,702 8,703 16,704 1,706 1,707 7,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 33,740 2,742 1,743 3,744 1,745 1,746 2,747 4,754 15.4,755 2,756 1,757 3,758 2,761 18.25,762 8.567,763 7,764 2.501,765 2.863,766 1.363,767 0.914,768 6.32,769 10.753,770 3.871,771 4.53,772 5.038,773 5.608,774 6.033,775 6.323,776 6.567,777 6.901,778 6.857,779 6.975,780 0.889,781 55,782 12.925,783 6.44,784 8.437,785 21.782,786 18.226,787 2.937,788 96.917,789 129.482,790 74.604,791 134.455,793 217.053,795 7.511,796 67.093,797 346.535,798 134.455,800 20.997,801 187.101,802 220.624,803 18.604,804 14.099,805 94.169,807 129.482,808 201.548,809 217.053,810 7.511,812 129.482,813 112.141,814 104.912,815 43.993,816 107.198,817 57.868,819 129.482,820 351.508,821 74.604,823 7.511,824 129.482,825 21.427,826 47.565,827 16.405,828 333.204,829 129.482,830 351.508,831 74.604,833 0.606,834 0.355,835 0.185,836 0.093,837 27,838 14,839 0.109,840 6,841 1,842 1.1,843 4.255,844 308.358,845 0.1,846 20,847 164.465,848 1,849 23.432,850 8.901,851 4.671,852 0.474,853 349.609,854 5.958,855 11.871,856 -0.61,857 1.307,858 210.249,859 555.594,860 47,862 -4.667,863 36.448,866 -1.166,867 54.709,868 59.575,869 0.346,870 0.785,871 0.914,872 0.966,873 0.973,874 0.973,875 5.159,876 1.707,877 6.12,878 5.87,879 4.691,880 5.218,881 2.31,882 7.009,883 4.584,884 6.417,885 1.59,886 7.743,887 4.724,888 4.575,889 5.38,891 8.186,892 4.453,893 7.781,894 1.542,895 9.467,896 4.565,897 6.412,898 7.539,899 2.87,900 11.231,901 6.222,902 9.181,903 1.175,904 11.247,905 3.671,906 7.057,907 8.482,909 13.163,910 6.847,911 10.613,912 1.04,913 13.062,914 3.008,915 8.445,916 10.214,917 3.593,918 15.785,919 8.18,920 12.066,921 0.771,922 14.9,923 2.925,924 9.397,925 11.475,927 18.001,928 9.104,929 13.536,930 0.695,931 16.754,932 1.83,933 10.634,934 13.062,935 4.417,936 20.487,937 10.295,938 3.303,939 -0.008,940 18.62,941 1.695,942 11.711,943 14.458,945 22.817,946 11.337,947 3.233,948 11.611,949 20.495,950 -0.02,951 12.898,952 15.992,953 5.291,954 25.257,955 12.482,956 2.999,957 11.105,958 22.377,959 4.581,960 14.026,961 17.448,963 27.636,964 13.573,965 2.917,966 10.114,967 24.264,968 4.489,969 15.197,970 18.963,971 6.188,972 30.063,973 14.704,974 2.389,975 9.548,976 26.155,977 3.972,978 16.347,979 20.445,981 32.466,982 15.818,983 2.25,984 7.931,985 28.051,986 3.324,987 17.515,988 21.954,989 7.095,990 34.89,991 16.948,992 1.903,993 6.244,994 29.949,995 2.984,996 18.677,997 23.45,999 37.305,1000 18.072,1001 15088,1002 29594,1003 22.887,1004 33.892,1005 55.382,1006 57.969,1007 58.429,1008 54.954,1009 55.028,1010 71.028,1011 7.2,1012 169.685,1013 51.873,1014 5.683,1015 6.473,1016 6.453,1017 5.361,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.21,1023 21.498,1024 1.538,1025 1.61,1026 1.623,1027 1.526,1028 1.529,1029 1.973,1030 0.2,1031 4.713,1032 1.441,1033 4.109,1034 4.158,1035 4.709,1036 3.926,1037 7.725,1038 3.949,1039 3.991,1040 3.986,1041 4.08,1042 3.875,1043 7.428,1044 3.871,1045 3.864,1046 3.854,1047 3.877,1048 3.767,1049 6.999,1050 3.691,1051 3.755,1052 3.747,1053 3.711,1054 3.579,1055 6.495,1056 3.572,1057 3.343,1058 3.422,1059 3.268,1060 3.09,1061 6.468,1062 3.123,1063 3.25,1064 3.281,1065 3.224,1066 3.02,1067 6.4,1068 3.046,1069 3.094,1070 3.144,1071 2.971,1072 2.858,1073 5.271,1074 2.863,1075 2.99,1076 3.102,1077 2.878,1078 2.746,1079 5.088,1080 2.75,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.705,1087 0.127,1088 4.473,1089 0.044,1090 6.924,1091 0.323,1092 4.245,1093 0.089,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.21,1099 1.9,1100 1.886,1101 1.98,1102 2.015,1103 1.172,1104 2.012,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.065,1110 1.965,1111 1.646,1112 1.677,1113 1.777,1114 1.862,1115 0.997,1116 1.872,1117 1.554,1118 1.531,1119 1.651,1120 1.805,1121 0.757,1122 1.776,1123 1.443,1124 1.419,1125 1.379,1126 1.689,1127 0.567,1128 1.682,1129 1.138,1130 1.097,1131 1.338,1132 1.439,1133 0.405,1134 1.409,1135 1.062,1136 1.033,1137 1.153,1138 1.349,1139 0.185,1140 1.332,1141 0.883,1142 0.839,1143 1.144,1144 1.224,1145 0.147,1146 1.212,1147 4.29,1149 5.666,1150 3.045,1151 7.217,1152 5.476,1153 8.847,1154 7.627,1155 10.518,1161 11.198,1162 30.449,1163 -0.741,1164 1.617,1165 10.289,1166 -5.509,1170 34.216,1171 102.574,1172 232.674,1173 270.913,1174 286.423,1175 288.423,1176 288.423,1177 101.202,1178 7.89,1179 238.03,1180 246.41,1181 22,1182 12.901,1183 4.322,1184 3.585,1185 54.577,1186 155,1187 154,1188 0.171,1189 211.508,1190 365.23,1191 507.841,1192 31509,1194 23.913,1195 0.725,1196 0.529,1197 24.163,1198 17.454,1199 15.57,1200 0.433,1201 0.298,1202 9.176,1203 13.818,1204 9.01,1205 7.344,1206 16.424,1207 10.726,1208 15.299,1209 0.283,1210 0.156,1211 16.608,1212 8.424,1213 12.529,1214 0.176,1215 0.081,1216 13.377,1217 5.752,1218 10.465,1219 0.113,1220 0.043,1221 11.316,1222 3.957,1223 7.494,1224 0.069,1225 0.024,1226 8.243,1227 2.563,1228 0.273,1229 109.794,1230 0.209,1231 30.824,1232 0.457,1233 180,1234 707.525,1235 247.356,1236 678.554,1237 894.58,1238 622,1239 215,1240 611.828,1241 294.261,1242 645.823,1243 952.95,1244 603,1245 7.398}
{0 CHEMBL1162040,1 2.074,2 12.667,3 -1.265,4 1.601,5 106.673,6 9.689,7 0.444,8 4.101,9 4.176,10 3.972,11 3.499,12 5.4,13 3.569,14 4.633,15 4.731,16 4.307,17 3.885,18 6.18,19 3.956,20 4.886,21 5.012,22 4.408,23 3.988,24 6.36,25 4.049,26 4.969,27 5.115,28 4.435,29 3.955,30 6.682,31 4.011,32 4.891,33 5.056,34 4.352,35 3.903,36 6.303,37 3.923,38 4.829,39 4.957,40 4.345,41 3.81,42 6.638,43 3.873,44 4.754,45 4.903,46 4.063,47 3.697,48 6.353,49 3.737,50 4.586,51 4.746,52 3.936,53 3.61,54 6.065,55 3.63,56 0.484,57 0.848,58 9.173,59 4.122,60 76.652,61 3.567,62 1.172,63 1.278,64 14.595,65 6.956,66 131.989,67 6.483,68 1.708,69 1.479,70 25.255,71 9.147,72 213.615,73 8.777,74 2.155,75 1.43,76 29.426,77 9.027,78 305.721,79 9.052,80 1.804,81 1.312,82 32.114,83 9.148,84 233.415,85 8.809,86 1.92,87 1.118,88 32.238,89 8.507,90 299.324,91 8.438,92 1.73,93 1.001,94 25.418,95 7.174,96 238.254,97 6.94,98 1.293,99 0.967,100 21.066,101 6.435,102 197.774,103 6.633,104 65,105 54,106 0.346,107 0.758,108 0.876,109 0.914,110 0.921,111 0.921,112 3.532,113 0.886,114 -2.55,115 -2.57,116 -2.51,119 34,125 1,127 3,128 1,134 3,135 1,136 2,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 2,159 7,160 1,162 1,163 5,165 3,166 3,168 3,170 1,171 4,172 1,173 1,175 1,177 6,178 5,180 2,181 5,182 1,183 3,187 3,188 1,190 4,192 1,197 1,198 6,200 1,201 8,202 1,211 5,212 4,215 4,216 2,219 1,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 5,240 1,246 1849,247 21.413,248 21.413,249 21.413,250 21.413,251 21.413,252 18.95,253 22.345,254 12.017,255 21.995,256 17.658,257 17.658,258 17.658,259 17.658,260 17.658,261 13.892,262 25.487,263 5.598,264 18.732,265 3.57,266 1.098,267 0.39,268 0.16,269 0.12,270 0.12,271 4.216,276 900,277 4.183,280 175.045,281 223.949,282 147.147,284 1.939,285 81.872,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 78.5,295 418,296 4.709,297 4.474,298 6.924,299 4.253,300 3.304,301 4.581,302 1.579,303 11.611,304 3.218,305 4.641,306 3.621,307 6.805,308 4.211,309 3.247,310 4.491,311 1.041,312 11.202,313 3.041,314 4.41,315 3.58,316 6.596,317 3.993,318 3.022,319 4.082,320 0.98,321 10.358,322 2.942,323 4.14,324 3.128,325 6.526,326 3.931,327 2.983,328 3.324,330 10.108,331 2.803,332 3.662,333 2.937,334 5.891,335 3.314,336 2.389,337 2.92,339 7.931,340 2.203,341 3.371,342 2.595,343 5.237,344 2.943,345 1.95,346 2.601,347 5.877,348 1.926,349 3.232,350 2.39,351 4.876,352 2.821,353 1.882,354 2.481,355 5.182,356 1.748,357 3.058,358 2.244,359 4.841,360 2.801,361 1.879,362 2.324,363 5.104,364 1.712,365 3.03,366 1.969,367 4.782,368 2.483,369 1.59,370 2.112,371 4.709,372 1.415,373 2.734,374 1.549,375 4.144,376 2.444,377 1.542,378 1.764,379 3.671,380 1.386,381 2.663,382 1.469,383 4.069,384 2.171,385 1.177,386 1.687,387 2.926,388 1.162,389 2.413,390 1.349,391 3.822,392 1.945,393 1.04,394 1.386,395 2.741,396 0.937,397 2.101,398 1.239,399 3.487,400 1.666,401 0.771,402 0.996,403 1.83,404 0.688,405 1.773,406 0.9,407 3.303,408 1.557,409 0.697,410 0.73,411 1.701,412 0.593,413 1.179,414 0.791,415 2.989,416 0.875,417 -0.009,418 -0.01,419 -0.023,420 -0.008,421 14.686,422 0.445,423 1.171,424 0.035,425 43,426 1.303,427 19.5,428 0.591,429 23.5,430 0.712,431 27.331,432 0.828,433 38.114,434 0.762,435 40.162,436 1.217,437 8.677,438 0.263,439 6.91,440 0.209,441 0.183,442 0.057,443 0.402,445 1,447 0.877,448 1.404,449 0.738,450 1.352,451 0.858,452 0.88,453 0.803,454 0.977,455 0.786,456 0.949,457 0.667,458 0.904,459 1.055,460 1.2,461 0.988,462 1.151,463 0.972,464 1.06,465 0.988,466 0.911,467 1.004,468 0.95,469 0.907,470 1.006,471 1.118,472 0.926,473 1.143,474 1.056,475 1.144,476 0.984,477 0.892,478 0.944,479 1.269,480 1.305,481 0.881,482 1.03,483 1.205,484 0.702,485 1.241,486 0.885,487 1.228,488 1.047,489 1.191,490 1.057,491 1.167,492 1.13,493 1.232,494 1.154,495 8,496 0.316,497 5.333,498 4.111,499 2.247,500 1.573,501 0.961,502 0.547,503 0.413,504 0.333,505 15538,506 63378,507 2.001,508 34,510 8,511 1,512 2,513 6,518 1.751,519 1.808,520 3.586,521 3.367,524 103.709,525 2.074,526 4.546,527 5.254,528 5.484,529 5.524,530 5.524,531 3.017,532 4.62,533 5.02,534 3.81,535 2011.45,536 8.781,537 30284.1,539 282.193,540 1.71,541 4.933,542 0.222,543 0.01,544 0.099,545 0.073,546 0.042,547 0.035,548 0.02,549 0.015,550 0.013,551 0.01,552 0.539,553 0.17,554 0.75,555 0.648,556 175.747,557 -0.167,558 -0.241,559 0.129,560 -0.133,561 -0.204,562 0.054,563 0.055,564 0.076,565 -0.038,566 0.032,567 0.067,568 -0.019,569 -0.083,570 -0.208,571 -0.055,572 -0.131,573 -0.087,574 -0.098,575 0.07,576 0.048,577 -0.01,578 0.002,579 0.141,580 -0.066,581 -0.114,582 0.008,583 0.03,584 0.03,585 -0.17,586 0.029,587 0.195,588 -0.03,589 -0.043,590 -0.15,591 0.258,592 -0.045,593 -0.142,594 0.068,595 -0.226,596 0.042,597 -0.126,598 -0.107,599 -0.209,600 -0.128,601 -0.133,602 -0.113,603 -0.181,604 -0.141,605 5.725,606 5.754,607 0.606,608 33.003,609 1.062,610 1.148,611 1.318,612 1.738,613 0.656,614 3.611,615 4.007,616 4.29,617 4.564,618 4.691,619 4.812,620 4.875,621 5.004,622 5.017,623 5.056,624 7.596,625 0.672,626 484.47,627 3.611,628 5.198,629 6.071,630 6.984,631 7.87,632 8.785,633 9.677,634 10.594,635 11.489,636 12.406,637 12,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,665 1,666 50,667 19,668 1,669 36,671 53,672 17,673 11,674 3,675 3,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,699 1,700 17,701 14,702 6,703 16,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,737 1,739 33,740 1,742 1,743 3,744 1,745 1,746 2,747 4,753 1,754 16,755 2,756 1,757 3,758 2,761 18.25,762 8.376,763 7.028,764 2.461,765 2.893,766 1.367,767 0.908,768 6.302,769 10.783,770 3.871,771 4.53,772 5.047,773 5.625,774 6.02,775 6.3,776 6.57,777 6.892,778 6.861,779 7.008,780 1,781 56,782 13.119,783 6.715,784 8.558,785 21.636,786 18.117,787 3.058,788 100.917,789 129.482,790 80.968,791 101.558,793 217.053,794 14.96,795 7.511,796 73.457,797 346.535,798 116.518,800 20.997,801 154.204,802 220.624,803 24.968,804 29.059,805 94.169,807 129.482,808 175.015,809 232.013,810 7.511,812 144.442,813 112.141,814 104.912,815 43.993,816 80.665,817 57.868,819 144.442,820 318.611,821 80.968,823 7.511,824 129.482,825 27.791,826 47.565,827 16.405,828 315.267,829 129.482,830 333.571,831 80.968,833 0.605,834 0.36,835 0.191,836 0.091,837 27,838 14,839 0.113,840 6,841 1,842 1.1,843 4.228,844 310.182,845 0.1,846 20,847 164.465,848 1,849 23.406,850 8.886,851 4.528,852 0.425,853 331.672,854 5.379,855 11.812,856 -2.75,857 1.276,858 177.352,859 544.022,860 47,862 -4.809,863 36.251,866 -1.474,867 53.12,868 57.416,869 0.368,870 0.805,871 0.931,872 0.972,873 0.979,874 0.979,875 5.159,876 1.879,877 6.125,878 5.182,879 4.691,880 5.218,881 2.31,882 7.024,883 4.576,884 6.417,885 1.59,886 7.753,887 5.104,888 4.575,889 5.38,891 8.222,892 4.439,893 7.782,894 1.542,895 9.485,896 4.709,897 6.418,898 7.544,899 2.87,900 11.279,901 6.216,902 9.186,903 1.177,904 11.274,905 3.671,906 7.074,907 8.496,909 13.233,910 6.849,911 10.621,912 1.04,913 13.098,914 2.926,915 8.465,916 10.229,917 3.593,918 15.863,919 8.187,920 12.079,921 0.771,922 14.945,923 2.741,924 9.429,925 11.5,927 18.093,928 9.121,929 13.554,930 0.697,931 16.808,932 1.83,933 10.67,934 13.087,935 4.417,936 20.584,937 10.317,938 3.304,939 -0.009,940 18.682,941 1.701,942 11.755,943 14.49,945 22.921,946 11.368,947 3.247,948 11.611,949 20.564,950 -0.023,951 12.945,952 16.024,953 5.291,954 25.364,955 12.518,956 3.022,957 11.202,958 22.453,959 4.581,960 14.079,961 17.482,963 27.747,964 13.615,965 2.983,966 10.358,967 24.347,968 4.491,969 15.253,970 18.997,971 6.188,972 30.174,973 14.751,974 2.389,975 10.108,976 26.245,977 4.082,978 16.407,979 20.48,981 32.577,982 15.869,983 1.95,984 7.931,985 28.146,986 3.324,987 17.577,988 21.988,989 7.095,990 35.001,991 17.002,992 1.882,993 5.877,994 30.049,995 2.92,996 18.741,997 23.483,999 37.415,1000 18.13,1001 14877,1002 30227,1003 22.887,1004 32.824,1005 55.318,1006 58.226,1007 58.607,1008 54.932,1009 54.947,1010 70.957,1011 7.2,1012 169.902,1013 51.551,1014 5.688,1015 6.474,1016 6.47,1017 5.369,1018 5.304,1019 7.581,1020 3.158,1021 19.32,1022 5.218,1023 21.335,1024 1.537,1025 1.617,1026 1.628,1027 1.526,1028 1.526,1029 1.971,1030 0.2,1031 4.72,1032 1.432,1033 4.109,1034 4.157,1035 4.709,1036 3.924,1037 8.201,1038 3.948,1039 3.992,1040 3.982,1041 4.08,1042 3.873,1043 7.725,1044 3.868,1045 3.861,1046 3.851,1047 3.886,1048 3.763,1049 7.427,1050 3.689,1051 3.754,1052 3.743,1053 3.711,1054 3.578,1055 6.999,1056 3.57,1057 3.341,1058 3.421,1059 3.267,1060 3.088,1061 6.495,1062 3.12,1063 3.205,1064 3.228,1065 3.171,1066 2.985,1067 6.467,1068 3.008,1069 3.077,1070 3.107,1071 2.969,1072 2.854,1073 6.4,1074 2.857,1075 2.989,1076 3.091,1077 2.905,1078 2.743,1079 5.271,1080 2.767,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.709,1087 0.127,1088 4.474,1089 0.044,1090 6.924,1091 0.323,1092 4.253,1093 0.089,1094 3.304,1095 4.581,1096 1.579,1097 11.611,1098 3.218,1099 1.888,1100 1.878,1101 1.96,1102 2.008,1103 1.172,1104 1.998,1105 1.797,1106 1.751,1107 1.849,1108 2.006,1109 1.048,1110 1.965,1111 1.645,1112 1.675,1113 1.777,1114 1.858,1115 0.997,1116 1.867,1117 1.554,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.441,1124 1.418,1125 1.366,1126 1.683,1127 0.569,1128 1.679,1129 1.128,1130 1.079,1131 1.317,1132 1.427,1133 0.406,1134 1.399,1135 1.015,1136 1.014,1137 1.148,1138 1.263,1139 0.166,1140 1.233,1141 0.857,1142 0.824,1143 1.079,1144 1.222,1145 0.11,1146 1.208,1147 4.29,1149 5.666,1150 3.045,1151 7.222,1152 5.476,1153 8.858,1154 7.627,1155 10.537,1159 13.754,1161 5.713,1162 30.238,1163 -0.815,1164 1.439,1165 10.167,1166 -5.691,1170 33.578,1171 103.709,1172 227.299,1173 262.683,1174 274.193,1175 276.193,1176 276.193,1177 108.379,1178 7.89,1179 212.01,1180 220.39,1181 22,1182 12.921,1183 4.322,1184 3.585,1185 54.541,1186 153,1187 127,1188 0.174,1189 205.912,1190 360.3,1191 494.186,1192 31509,1193 2,1194 23.913,1195 0.725,1196 0.523,1197 23.293,1198 17.255,1199 15.587,1200 0.433,1201 0.295,1202 9.067,1203 13.761,1204 8.928,1205 7.25,1206 16.03,1207 10.632,1208 15.202,1209 0.282,1210 0.153,1211 15.974,1212 8.281,1213 12.591,1214 0.175,1215 0.079,1216 13.057,1217 5.704,1218 10.745,1219 0.113,1220 0.041,1221 10.972,1222 3.942,1223 7.4,1224 0.069,1225 0.023,1226 8.11,1227 2.52,1228 0.276,1229 110.473,1230 0.209,1231 30.73,1232 0.466,1233 180,1234 784.324,1235 250.16,1236 721.909,1237 942.48,1238 662,1239 216,1240 637.316,1241 297.92,1242 663.288,1243 982.18,1244 620,1245 8.137}
{0 CHEMBL1162041,1 1.975,2 12.697,3 -1.738,4 3.021,5 108.151,6 9.46,7 0.444,8 4.12,9 4.193,10 3.969,11 3.508,12 5.412,13 3.577,14 4.64,15 4.735,16 4.301,17 3.898,18 6.165,19 3.964,20 4.897,21 5.019,22 4.406,23 4.009,24 6.389,25 4.06,26 4.986,27 5.135,28 4.382,29 3.983,30 6.559,31 4.022,32 4.913,33 5.08,34 4.34,35 3.929,36 6.367,37 3.936,38 4.845,39 4.98,40 4.314,41 3.827,42 6.485,43 3.879,44 4.779,45 4.919,46 4.126,47 3.72,48 6.483,49 3.76,50 4.613,51 4.773,52 3.933,53 3.629,54 6.071,55 3.641,56 0.483,57 0.799,58 10.159,59 4.124,60 75.331,61 3.736,62 1.135,63 1.194,64 15.529,65 6.96,66 126.567,67 6.815,68 1.656,69 1.358,70 26.037,71 9.126,72 202.159,73 9.342,74 1.997,75 1.346,76 31.009,77 9.134,78 268.693,79 9.481,80 1.766,81 1.247,82 33.521,83 9.276,84 215.63,85 9.986,86 1.743,87 1.119,88 33.366,89 8.447,90 264.324,91 8.481,92 1.817,93 1.012,94 27.592,95 7.407,96 254.589,97 7.52,98 1.262,99 0.923,100 22.61,101 6.472,102 188.31,103 7.111,104 65,105 54,106 0.328,107 0.74,108 0.865,109 0.909,110 0.922,111 0.922,112 3.532,113 0.889,114 -1.73,115 -1.79,116 -1.81,119 33.3,125 1,127 3,128 1,134 3,135 1,136 2,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 3,159 7,160 1,162 1,163 5,165 3,166 2,168 3,169 1,170 1,171 4,172 2,173 5,175 1,177 6,178 4,180 2,181 5,182 1,183 3,187 3,188 4,190 5,191 1,192 1,197 1,198 3,200 1,201 8,202 1,211 5,212 4,215 7,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 2,237 1,238 5,240 2,246 1864,247 21.413,248 21.413,249 21.413,250 21.413,251 21.413,252 18.95,253 21.48,254 11.991,255 21.971,256 17.642,257 17.642,258 17.642,259 17.642,260 17.642,261 13.883,262 23.942,263 5.587,264 18.678,265 3.698,266 1.218,267 0.461,268 0.196,269 0.118,270 0.118,271 4.216,276 902,277 4.183,280 176.033,281 224.383,282 147.83,284 1.967,285 77.966,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 78,295 419,296 4.706,297 4.473,298 6.924,299 4.247,300 3.304,301 4.581,302 1.579,303 11.611,304 3.213,305 4.641,306 3.588,307 6.773,308 4.208,309 3.238,310 4.489,311 1.041,312 11.123,313 3.041,314 4.384,315 3.566,316 6.531,317 3.973,318 3.009,319 4.055,320 0.98,321 10.118,322 2.924,323 4.14,324 3.128,325 6.501,326 3.929,327 2.975,328 3.324,330 9.978,331 2.803,332 3.662,333 2.971,334 5.892,335 3.315,336 2.39,337 2.926,339 7.931,340 2.208,341 3.615,342 2.595,343 5.467,344 3.222,345 2.239,346 2.913,347 6.643,348 2.18,349 3.058,350 2.245,351 5.236,352 2.826,353 1.9,354 2.324,355 5.87,356 1.75,357 3.03,358 1.969,359 4.787,360 2.484,361 1.591,362 2.112,363 4.715,364 1.416,365 2.871,366 1.905,367 4.3,368 2.444,369 1.542,370 2.035,371 3.671,372 1.387,373 2.773,374 1.549,375 4.143,376 2.394,377 1.414,378 1.798,379 3.578,380 1.382,381 2.73,382 1.542,383 4.068,384 2.299,385 1.312,386 1.754,387 3.151,388 1.278,389 2.413,390 1.469,391 3.846,392 1.945,393 1.04,394 1.386,395 2.925,396 0.937,397 2.101,398 1.239,399 3.518,400 1.666,401 0.771,402 0.996,403 1.83,404 0.688,405 1.772,406 0.899,407 3.304,408 1.556,409 0.695,410 0.73,411 1.698,412 0.592,413 1.338,414 0.769,415 2.989,416 1.014,417 0.119,418 0.137,419 0.269,420 0.105,421 14.733,422 0.446,423 1.171,424 0.035,425 43.5,426 1.318,427 20,428 0.606,429 23.5,430 0.712,431 26.991,432 0.818,433 38.067,434 0.746,435 40.312,436 1.222,437 8.713,438 0.264,439 6.874,440 0.208,441 0.186,442 0.057,443 0.4,447 0.961,448 1.558,449 0.768,450 1.337,451 0.956,452 0.868,453 0.813,454 1.018,455 0.791,456 0.96,457 0.678,458 0.907,459 0.994,460 1.228,461 0.974,462 1.17,463 0.903,464 1.081,465 1.125,466 0.942,467 1.065,468 0.958,469 1.055,470 1.026,471 0.991,472 0.948,473 1.107,474 1.066,475 0.991,476 0.978,477 1.122,478 1.042,479 1.299,480 1.287,481 1.169,482 1.017,483 1.136,484 0.803,485 1.265,486 0.963,487 1.19,488 1.045,489 1.207,490 1.081,491 1.138,492 1.104,493 1.262,494 1.116,495 8,496 0.296,497 5.556,498 3.736,499 2.407,500 1.406,501 1.043,502 0.578,503 0.389,504 0.333,505 15646,506 61834,507 2.001,508 35.3,510 8,511 1,512 2,513 7,518 1.751,519 1.808,520 3.617,521 4.222,524 100.709,525 1.975,526 4.454,527 5.211,528 5.476,529 5.555,530 5.555,531 3.037,532 4.802,533 5.02,534 3.827,535 2020.52,536 8.778,537 30487.5,539 289.294,540 1.71,541 4.933,542 0.222,543 0.009,544 0.103,545 0.067,546 0.047,547 0.031,548 0.023,549 0.015,550 0.012,551 0.01,552 0.539,553 0.17,554 0.63,555 0.648,556 175.964,557 -0.201,558 -0.259,559 0.125,560 -0.105,561 -0.249,562 0.072,563 0.075,564 0.152,565 -0.032,566 0.036,567 0.076,568 -0.015,569 -0.011,570 -0.196,571 -0.045,572 -0.141,573 -0.015,574 -0.12,575 -0.068,576 0.018,577 -0.075,578 -0.005,579 -0.012,580 -0.081,581 0.009,582 0.017,583 0.063,584 0.023,585 -0.025,586 0.042,587 -0.006,588 -0.07,589 -0.068,590 -0.134,591 0.024,592 -0.034,593 0.028,594 0.124,595 -0.197,596 0.017,597 0.049,598 -0.116,599 -0.203,600 -0.14,601 -0.1,602 -0.09,603 -0.168,604 -0.106,605 5.637,606 5.134,607 0.606,608 33.499,609 1.058,610 1.143,611 0.498,612 0.248,613 0.654,614 3.611,615 4.007,616 4.29,617 4.543,618 4.7,619 4.796,620 4.905,621 4.997,622 5.024,623 5.037,624 7.658,625 0.665,626 482.48,627 3.611,628 5.198,629 6.071,630 6.98,631 7.867,632 8.778,633 9.673,634 10.584,635 11.483,636 12.395,637 11.8,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 2,666 51,667 19,668 1,669 36,671 54,672 17,673 11,674 3,675 3,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 18,701 14,702 7,703 16,704 1,706 1,707 6,711 0.75,712 9,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 33,740 1,742 1,743 4,744 1,745 1,746 2,747 4,754 17.6,755 2,756 2,757 3,758 2,761 18.25,762 8.433,763 7.028,764 2.475,765 2.87,766 1.364,767 0.89,768 6.32,769 10.76,770 3.871,771 4.53,772 5.047,773 5.608,774 6.033,775 6.29,776 6.604,777 6.874,778 6.878,779 6.978,780 1,781 56,782 12.993,783 6.55,784 8.497,785 21.69,786 18.159,787 2.997,788 98.917,789 129.482,790 71.847,791 101.558,793 259.737,795 7.511,796 64.336,797 389.219,798 101.558,800 20.997,801 154.204,802 263.307,803 15.847,804 14.099,805 94.169,807 129.482,808 165.894,809 259.737,810 7.511,812 129.482,813 154.825,814 104.912,815 43.993,816 71.544,817 57.868,819 129.482,820 361.294,821 71.847,823 7.511,824 129.482,825 18.67,826 47.565,827 16.405,828 342.99,829 129.482,830 361.294,831 71.847,833 0.606,834 0.361,835 0.185,836 0.093,837 27,838 14,839 0.111,840 6,841 1,842 1.1,843 4.239,844 309.335,845 0.1,846 20,847 164.465,848 1,849 23.432,850 8.901,851 4.537,852 0.453,853 359.395,854 5.837,855 11.845,856 -1.861,857 1.294,858 220.036,859 562.624,860 47,862 -4.72,863 36.378,866 -1.267,867 53.935,868 58.286,869 0.348,870 0.785,871 0.919,872 0.965,873 0.979,874 0.979,875 5.159,876 1.591,877 6.125,878 5.87,879 4.691,880 5.218,881 2.31,882 7.02,883 4.58,884 6.417,885 1.542,886 7.753,887 4.715,888 4.575,889 5.38,891 8.209,892 4.446,893 7.782,894 1.414,895 9.484,896 3.671,897 6.418,898 7.544,899 2.87,900 11.262,901 6.221,902 9.186,903 1.312,904 11.272,905 3.578,906 7.074,907 8.496,909 13.199,910 6.854,911 10.621,912 1.04,913 13.093,914 3.151,915 8.463,916 10.228,917 3.593,918 15.826,919 8.189,920 12.078,921 0.771,922 14.937,923 2.925,924 9.424,925 11.496,927 18.042,928 9.119,929 13.551,930 0.695,931 16.795,932 1.83,933 10.661,934 13.083,935 4.417,936 20.532,937 10.312,938 3.304,939 0.119,940 18.665,941 1.698,942 11.743,943 14.483,945 22.86,946 11.358,947 3.238,948 11.611,949 20.543,950 0.269,951 12.93,952 16.016,953 5.291,954 25.301,955 12.505,956 3.009,957 11.123,958 22.427,959 4.581,960 14.061,961 17.473,963 27.679,964 13.599,965 2.975,966 10.118,967 24.316,968 4.489,969 15.233,970 18.987,971 6.188,972 30.105,973 14.732,974 2.39,975 9.978,976 26.209,977 4.055,978 16.385,979 20.47,981 32.505,982 15.847,983 2.239,984 7.931,985 28.105,986 3.324,987 17.553,988 21.978,989 7.095,990 34.928,991 16.978,992 1.9,993 6.643,994 30.004,995 2.926,996 18.715,997 23.473,999 37.342,1000 18.104,1001 14979,1002 29949,1003 22.887,1004 33.341,1005 55.306,1006 58.183,1007 58.581,1008 54.965,1009 55.08,1010 71.118,1011 7.2,1012 170.224,1013 51.809,1014 5.685,1015 6.473,1016 6.453,1017 5.363,1018 5.304,1019 7.581,1020 3.158,1021 19.32,1022 5.213,1023 21.408,1024 1.536,1025 1.616,1026 1.627,1027 1.527,1028 1.53,1029 1.975,1030 0.2,1031 4.728,1032 1.439,1033 4.109,1034 4.157,1035 4.709,1036 3.924,1037 7.725,1038 3.948,1039 3.989,1040 3.976,1041 4.08,1042 3.873,1043 7.428,1044 3.865,1045 3.859,1046 3.848,1047 3.874,1048 3.762,1049 6.999,1050 3.689,1051 3.754,1052 3.742,1053 3.711,1054 3.578,1055 6.529,1056 3.571,1057 3.341,1058 3.421,1059 3.267,1060 3.088,1061 6.494,1062 3.12,1063 3.214,1064 3.23,1065 3.193,1066 2.986,1067 6.401,1068 3.014,1069 3.08,1070 3.108,1071 2.969,1072 2.854,1073 6.4,1074 2.858,1075 2.989,1076 3.093,1077 2.878,1078 2.755,1079 5.271,1080 2.776,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.706,1087 0.127,1088 4.473,1089 0.044,1090 6.924,1091 0.323,1092 4.247,1093 0.089,1094 3.304,1095 4.581,1096 1.579,1097 11.611,1098 3.213,1099 1.889,1100 1.88,1101 1.965,1102 2.008,1103 1.172,1104 1.999,1105 1.797,1106 1.751,1107 1.849,1108 2.005,1109 1.053,1110 1.965,1111 1.645,1112 1.676,1113 1.777,1114 1.859,1115 0.997,1116 1.867,1117 1.553,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.44,1124 1.418,1125 1.364,1126 1.684,1127 0.566,1128 1.679,1129 1.128,1130 1.08,1131 1.313,1132 1.427,1133 0.405,1134 1.399,1135 1.015,1136 1.016,1137 1.148,1138 1.271,1139 0.172,1140 1.235,1141 0.88,1142 0.855,1143 1.091,1144 1.223,1145 0.122,1146 1.209,1147 4.29,1149 5.666,1150 3.045,1151 7.222,1152 5.476,1153 8.856,1154 7.627,1155 10.531,1161 5.722,1162 39.796,1163 -0.771,1164 1.554,1165 10.241,1166 -5.585,1170 33.91,1171 100.709,1172 227.155,1173 265.784,1174 279.294,1175 283.294,1176 283.294,1177 104.634,1178 7.89,1179 232.24,1180 240.62,1181 22,1182 12.911,1183 4.322,1184 3.585,1185 54.559,1186 154,1187 129,1188 0.172,1189 208.71,1190 363.02,1191 501.013,1192 31509,1194 23.913,1195 0.725,1196 0.525,1197 24.163,1198 17.324,1199 15.587,1200 0.433,1201 0.296,1202 9.111,1203 13.81,1204 8.961,1205 7.289,1206 16.441,1207 10.667,1208 15.17,1209 0.281,1210 0.154,1211 16.48,1212 8.32,1213 12.801,1214 0.178,1215 0.08,1216 13.649,1217 5.745,1218 10.357,1219 0.111,1220 0.042,1221 11.208,1222 3.931,1223 7.581,1224 0.07,1225 0.023,1226 8.325,1227 2.539,1228 0.275,1229 110.184,1230 0.209,1231 30.773,1232 0.461,1233 180,1234 730.362,1235 248.433,1236 696.146,1237 914.78,1238 638,1239 216,1240 623.013,1241 296.864,1242 654.904,1243 968.66,1244 612,1245 6.863}
{0 CHEMBL1162042,1 1.975,2 13.303,3 -1.738,4 3.021,5 108.151,6 9.46,7 0.444,8 4.12,9 4.193,10 3.969,11 3.508,12 5.412,13 3.577,14 4.64,15 4.735,16 4.301,17 3.898,18 6.169,19 3.964,20 4.897,21 5.019,22 4.392,23 4.008,24 6.389,25 4.054,26 4.979,27 5.137,28 4.341,29 3.977,30 6.486,31 4.006,32 4.89,33 5.061,34 4.306,35 3.919,36 6.344,37 3.922,38 4.825,39 4.96,40 4.287,41 3.815,42 6.42,43 3.869,44 4.771,45 4.909,46 4.158,47 3.719,48 6.467,49 3.76,50 4.627,51 4.785,52 4.002,53 3.639,54 6.226,55 3.651,56 0.483,57 0.799,58 10.159,59 4.124,60 75.22,61 3.736,62 1.135,63 1.194,64 15.529,65 6.96,66 125.984,67 6.815,68 1.665,69 1.358,70 25.959,71 9.132,72 201.811,73 9.318,74 1.946,75 1.34,76 31.501,77 9.13,78 257.378,79 9.558,80 1.693,81 1.233,82 33.361,83 9.302,84 199.752,85 10.276,86 1.654,87 1.106,88 31.314,89 8.148,90 246.855,91 8.086,92 1.779,93 1.013,94 26.715,95 7.238,96 254.101,97 7.311,98 1.351,99 0.932,100 24.278,101 6.745,102 206.94,103 7.694,104 65,105 54,106 0.328,107 0.74,108 0.859,109 0.903,110 0.916,111 0.922,112 3.532,113 0.888,114 -1.22,115 -1.31,116 -1.38,119 33.3,125 1,127 3,128 1,134 3,135 1,136 2,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 3,159 7,160 1,162 1,163 5,165 3,166 2,168 3,169 2,170 1,171 4,172 2,173 6,175 1,177 6,178 4,180 2,181 4,183 3,187 3,188 6,190 5,191 1,197 1,198 3,200 1,201 6,202 2,211 5,212 1,215 7,216 2,219 1,224 2,227 5,228 1,229 1,231 1,234 6,235 2,237 1,238 4,240 3,246 1898,247 21.361,248 21.361,249 21.361,250 21.361,251 21.361,252 18.925,253 21.48,254 11.946,255 21.926,256 17.652,257 17.652,258 17.652,259 17.652,260 17.652,261 13.901,262 23.298,263 5.598,264 18.696,265 3.698,266 1.218,267 0.5,268 0.235,269 0.157,270 0.118,271 4.216,276 947,277 4.183,280 178.148,281 225.293,282 149.266,284 2.009,285 77.073,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 78,295 439,296 4.703,297 4.473,298 6.924,299 4.241,300 3.303,301 4.581,302 1.579,303 11.611,304 3.203,305 4.641,306 3.584,307 6.754,308 4.203,309 3.226,310 4.488,311 1.041,312 11.076,313 3.04,314 4.272,315 3.524,316 6.528,317 3.937,318 2.997,319 3.929,320 0.98,321 10.113,322 2.826,323 4.14,324 3.128,325 6.101,326 3.852,327 2.872,328 3.324,330 8.823,331 2.799,332 3.797,333 2.988,334 5.892,335 3.418,336 2.44,337 3.157,339 7.931,340 2.366,341 3.661,342 2.595,343 5.728,344 3.312,345 2.384,346 2.92,347 7.457,348 2.202,349 3.058,350 2.245,351 5.236,352 2.827,353 1.901,354 2.324,355 5.872,356 1.751,357 3.03,358 1.969,359 4.787,360 2.485,361 1.592,362 2.112,363 4.716,364 1.416,365 2.827,366 1.904,367 4.213,368 2.444,369 1.542,370 1.953,371 3.671,372 1.387,373 2.785,374 1.707,375 4.142,376 2.372,377 1.414,378 1.807,379 3.616,380 1.348,381 2.73,382 1.549,383 4.068,384 2.295,385 1.289,386 1.755,387 3.403,388 1.281,389 2.413,390 1.469,391 4.024,392 1.945,393 1.04,394 1.386,395 2.925,396 0.937,397 2.101,398 1.239,399 3.504,400 1.666,401 0.771,402 0.996,403 1.83,404 0.688,405 1.772,406 0.899,407 3.303,408 1.555,409 0.693,410 0.729,411 1.69,412 0.591,413 1.364,414 0.752,415 2.97,416 1.012,417 0.101,418 0.12,419 0.222,420 0.09,421 14.733,422 0.446,423 1.188,424 0.036,425 43.5,426 1.318,427 20,428 0.606,429 23.5,430 0.712,431 26.843,432 0.813,433 38.067,434 0.746,435 40.041,436 1.213,437 8.698,438 0.264,439 6.872,440 0.208,441 0.186,442 0.057,443 0.4,447 0.961,448 1.558,449 0.768,450 1.337,451 0.956,452 0.868,453 0.813,454 1.018,455 0.791,456 0.96,457 0.672,458 0.907,459 1.003,460 1.228,461 1.003,462 1.174,463 0.907,464 1.108,465 1.157,466 0.929,467 1.087,468 0.944,469 1.089,470 1.022,471 0.918,472 0.961,473 1.105,474 1.085,475 0.882,476 0.967,477 1.203,478 1.047,479 1.269,480 1.25,481 1.252,482 1.029,483 1.109,484 0.814,485 1.21,486 0.971,487 1.203,488 1.049,489 0.969,490 1.086,491 1.105,492 1.167,493 1.016,494 1.091,495 8.5,496 0.284,497 5.556,498 3.361,499 2.487,500 1.351,501 1.002,502 0.672,503 0.389,504 0.325,505 15870,506 63154,507 2.001,508 35.3,510 8,511 1,512 2,513 7,518 1.75,519 1.808,520 3.675,521 4.222,524 100.709,525 1.975,526 4.454,527 5.172,528 5.437,529 5.516,530 5.555,531 3.106,532 4.741,533 5.018,534 3.865,535 2040.68,536 8.774,537 30911,539 289.294,540 1.71,541 4.933,542 0.236,543 0.009,544 0.103,545 0.061,546 0.051,547 0.029,548 0.022,549 0.017,550 0.011,551 0.01,552 0.551,553 0.17,554 0.63,555 0.648,556 176.403,557 -0.201,558 -0.259,559 0.125,560 -0.105,561 -0.25,562 0.072,563 0.075,564 0.152,565 -0.032,566 0.036,567 0.083,568 -0.015,569 -0.021,570 -0.196,571 -0.075,572 -0.145,573 -0.02,574 -0.148,575 -0.122,576 0.026,577 -0.087,578 0.011,579 -0.075,580 -0.064,581 0.052,582 0.008,583 0.072,584 0.017,585 0.039,586 0.07,587 -0.093,588 -0.074,589 -0.089,590 -0.131,591 -0.066,592 -0.058,593 0.046,594 0.126,595 -0.147,596 0.009,597 0.03,598 -0.127,599 0.035,600 -0.139,601 -0.004,602 -0.105,603 0.077,604 -0.065,605 5.581,606 5.122,607 0.606,608 34.623,609 1.058,610 1.143,611 -0.013,613 0.654,614 3.611,615 4.007,616 4.277,617 4.522,618 4.71,619 4.804,620 4.905,621 5.017,622 5.017,623 5.011,624 7.788,625 0.665,626 482.48,627 3.611,628 5.198,629 6.066,630 6.973,631 7.857,632 8.765,633 9.658,634 10.566,635 11.463,636 12.373,637 11.8,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 2,666 51,667 19,668 1,669 36,671 54,672 17,673 11,674 3,675 3,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 18,701 14,702 7,703 16,704 1,706 1,707 6,711 0.75,712 9,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 33,740 1,742 1,743 4,744 1,745 1,746 2,747 4,754 17.6,755 2,756 2,757 3,758 2,761 18.25,762 8.433,763 7,764 2.468,765 2.839,766 1.36,767 0.89,768 6.32,769 10.729,770 3.871,771 4.53,772 5.038,773 5.592,774 6.046,775 6.313,776 6.601,777 6.884,778 6.874,779 6.944,780 0.889,781 55,782 12.932,783 6.469,784 8.497,785 21.69,786 18.155,787 2.997,788 98.917,789 129.482,790 71.847,791 101.558,793 259.737,795 7.511,796 64.336,797 389.219,798 101.558,800 20.997,801 154.204,802 263.307,803 15.847,804 14.099,805 94.169,807 129.482,808 165.894,809 259.737,810 7.511,812 129.482,813 154.825,814 104.912,815 43.993,816 71.544,817 57.868,819 129.482,820 361.294,821 71.847,823 7.511,824 129.482,825 18.67,826 47.565,827 16.405,828 342.99,829 129.482,830 361.294,831 71.847,833 0.607,834 0.357,835 0.178,836 0.094,837 27,838 14,839 0.111,840 6,841 1,842 1.1,843 4.265,844 307.51,845 0.1,846 20,847 164.465,848 1,849 23.432,850 8.901,851 4.671,852 0.463,853 359.395,854 5.383,855 11.854,856 -1.29,857 1.3,858 220.036,859 562.624,860 47,862 -4.665,863 36.323,866 -1.141,867 53.935,868 58.286,869 0.348,870 0.785,871 0.912,872 0.959,873 0.972,874 0.979,875 5.159,876 1.592,877 6.12,878 5.872,879 4.691,880 5.218,881 2.31,882 7.006,883 4.58,884 6.417,885 1.542,886 7.743,887 4.716,888 4.575,889 5.38,891 8.176,892 4.446,893 7.781,894 1.414,895 9.466,896 3.671,897 6.412,898 7.539,899 2.87,900 11.214,901 6.215,902 9.181,903 1.289,904 11.245,905 3.616,906 7.057,907 8.482,909 13.136,910 6.837,911 10.613,912 1.04,913 13.058,914 3.403,915 8.442,916 10.212,917 3.593,918 15.753,919 8.168,920 12.065,921 0.771,922 14.892,923 2.925,924 9.391,925 11.472,927 17.963,928 9.085,929 13.534,930 0.693,931 16.742,932 1.83,933 10.626,934 13.057,935 4.417,936 20.447,937 10.273,938 3.303,939 0.101,940 18.603,941 1.69,942 11.699,943 14.451,945 22.775,946 11.309,947 3.226,948 11.611,949 20.474,950 0.222,951 12.882,952 15.984,953 5.291,954 25.216,955 12.451,956 2.997,957 11.076,958 22.351,959 4.581,960 14.007,961 17.439,963 27.596,964 13.537,965 2.872,966 10.113,967 24.234,968 4.488,969 15.176,970 18.953,971 6.188,972 30.024,973 14.665,974 2.44,975 8.823,976 26.122,977 3.929,978 16.325,979 20.435,981 32.428,982 15.775,983 2.384,984 7.931,985 28.013,986 3.324,987 17.491,988 21.944,989 7.095,990 34.854,991 16.903,992 1.901,993 7.457,994 29.909,995 3.157,996 18.651,997 23.44,999 37.272,1000 18.025,1001 15190,1002 30468,1003 22.887,1004 33.341,1005 55.425,1006 58.143,1007 58.407,1008 55.041,1009 55.13,1010 71.159,1011 7.2,1012 169.911,1013 51.851,1014 5.68,1015 6.473,1016 6.453,1017 5.357,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.203,1023 21.571,1024 1.54,1025 1.615,1026 1.622,1027 1.529,1028 1.531,1029 1.977,1030 0.2,1031 4.72,1032 1.44,1033 4.109,1034 4.157,1035 4.709,1036 3.924,1037 7.725,1038 3.948,1039 3.988,1040 3.976,1041 4.08,1042 3.873,1043 7.427,1044 3.865,1045 3.859,1046 3.848,1047 3.871,1048 3.762,1049 6.999,1050 3.689,1051 3.755,1052 3.743,1053 3.711,1054 3.578,1055 6.53,1056 3.571,1057 3.342,1058 3.421,1059 3.268,1060 3.088,1061 6.494,1062 3.121,1063 3.232,1064 3.237,1065 3.224,1066 2.989,1067 6.402,1068 3.026,1069 3.086,1070 3.112,1071 2.97,1072 2.855,1073 6.4,1074 2.86,1075 2.989,1076 3.097,1077 2.878,1078 2.746,1079 5.271,1080 2.748,1081 0.131,1082 0.124,1083 0.192,1084 0.118,1085 0.092,1086 4.703,1087 0.127,1088 4.473,1089 0.044,1090 6.924,1091 0.323,1092 4.241,1093 0.089,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.203,1099 1.89,1100 1.881,1101 1.964,1102 2.008,1103 1.172,1104 2,1105 1.797,1106 1.751,1107 1.849,1108 2.005,1109 1.055,1110 1.965,1111 1.645,1112 1.675,1113 1.777,1114 1.859,1115 0.997,1116 1.866,1117 1.553,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.44,1124 1.418,1125 1.359,1126 1.684,1127 0.56,1128 1.678,1129 1.127,1130 1.082,1131 1.294,1132 1.429,1133 0.402,1134 1.399,1135 1.011,1136 1.02,1137 1.148,1138 1.287,1139 0.176,1140 1.24,1141 0.883,1142 0.839,1143 1.136,1144 1.223,1145 0.143,1146 1.21,1147 4.29,1149 5.666,1150 3.045,1151 7.217,1152 5.476,1153 8.845,1154 7.627,1155 10.512,1161 5.723,1162 39.373,1163 -0.748,1164 1.611,1165 10.263,1166 -5.535,1170 33.91,1171 100.709,1172 227.155,1173 263.784,1174 277.294,1175 281.294,1176 283.294,1177 104.058,1178 7.89,1179 232.24,1180 240.62,1181 22,1182 12.891,1183 4.322,1184 3.585,1185 54.593,1186 156,1187 152,1188 0.17,1189 208.71,1190 363.02,1191 501.013,1192 31509,1194 23.913,1195 0.725,1196 0.525,1197 24.163,1198 17.324,1199 15.57,1200 0.433,1201 0.296,1202 9.105,1203 13.789,1204 8.952,1205 7.281,1206 16.424,1207 10.661,1208 15.267,1209 0.283,1210 0.155,1211 16.576,1212 8.351,1213 12.744,1214 0.179,1215 0.081,1216 13.592,1217 5.723,1218 10.052,1219 0.11,1220 0.043,1221 10.911,1222 3.893,1223 7.709,1224 0.07,1225 0.023,1226 8.444,1227 2.552,1228 0.271,1229 110.083,1230 0.209,1231 30.865,1232 0.452,1233 180,1234 730.362,1235 248.433,1236 696.324,1237 914.2,1238 638,1239 215,1240 622.013,1241 295.532,1242 654.149,1243 965.47,1244 611,1245 4}
{0 CHEMBL1162043,1 2,2 12.594,3 -3.397,4 11.539,5 106.066,6 9.54,7 0.286,8 4.08,9 4.162,10 3.948,11 3.468,12 5.344,13 3.537,14 4.621,15 4.725,16 4.272,17 3.858,18 6.147,19 3.922,20 4.86,21 4.992,22 4.353,23 3.96,24 6.302,25 4.008,26 4.925,27 5.079,28 4.346,29 3.923,30 6.525,31 3.962,32 4.839,33 5.003,34 4.296,35 3.869,36 6.244,37 3.884,38 4.795,39 4.927,40 4.27,41 3.779,42 6.499,43 3.835,44 4.718,45 4.87,46 4.034,47 3.676,48 6.31,49 3.708,50 4.566,51 4.734,52 3.903,53 3.585,54 6.023,55 3.597,56 0.423,57 0.792,58 9.387,59 3.742,60 63.183,61 3.508,62 1.127,63 1.17,64 15.271,65 6.454,66 120.401,67 6.451,68 1.564,69 1.302,70 25.613,71 8.562,72 184.651,73 8.887,74 1.875,75 1.258,76 29.165,77 8.428,78 252.998,79 8.802,80 1.581,81 1.162,82 30.914,83 8.311,84 187.037,85 8.809,86 1.674,87 1.052,88 30.393,89 7.838,90 249.855,91 7.983,92 1.587,93 0.956,94 24.704,95 6.866,96 210.846,97 7.018,98 1.167,99 0.881,100 21.44,101 5.991,102 172.151,103 6.725,104 50,105 52,106 0.335,107 0.746,108 0.875,109 0.912,110 0.919,111 0.919,112 3.502,113 0.893,114 -1.11,115 -1.21,116 -1.29,119 32.7,125 1,127 3,128 1,130 2,131 1,132 1,138 1,139 1,140 1,147 2,149 1,150 1,152 1,153 1,154 1,157 2,159 7,160 2,162 1,163 6,165 3,166 1,168 3,169 2,170 1,171 4,172 1,173 2,177 7,178 5,180 2,181 6,182 1,183 1,187 3,188 3,190 4,197 4,198 3,200 1,201 8,202 1,211 5,212 1,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 7,235 2,237 1,238 5,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.723,253 24.5,254 11.847,255 21.451,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.698,262 27.703,263 5.543,264 18.121,265 3.615,266 1.156,267 0.383,268 0.163,269 0.122,270 0.122,271 4.188,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 72.473,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 75.5,295 403,296 4.705,297 4.474,298 6.924,299 4.245,300 3.303,301 4.581,302 1.579,303 11.611,304 3.213,305 4.641,306 3.707,307 6.764,308 4.206,309 3.232,310 4.487,311 1.058,312 11.104,313 3.041,314 4.274,315 3.582,316 6.528,317 3.941,318 2.998,319 3.69,320 1.041,321 10.114,322 2.904,323 4.14,324 3.277,325 6.341,326 3.888,327 2.882,328 3.324,329 0.98,330 9.48,331 2.803,332 3.661,333 3.127,334 5.891,335 3.314,336 2.388,337 2.92,339 7.931,340 2.203,341 3.346,342 2.595,343 5.237,344 2.94,345 1.942,346 2.472,347 5.876,348 1.93,349 3.058,350 2.245,351 4.867,352 2.821,353 1.882,354 2.324,355 5.162,356 1.748,357 3.03,358 1.969,359 4.783,360 2.483,361 1.59,362 2.111,363 4.71,364 1.425,365 3,366 1.85,367 4.144,368 2.444,369 1.542,370 2,371 3.671,372 1.415,373 2.733,374 1.549,375 4.069,376 2.427,377 1.414,378 1.762,379 3.07,380 1.386,381 2.585,382 1.478,383 3.894,384 2.02,385 1.048,386 1.394,387 2.926,388 1.011,389 2.413,390 1.468,391 3.605,392 1.945,393 1.038,394 1.384,395 2.615,396 0.937,397 2.101,398 1.239,399 3.439,400 1.666,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.899,407 3.303,408 1.553,409 0.69,410 0.727,411 1.679,412 0.589,413 1.23,414 0.761,415 2.937,416 0.861,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.3,422 0.447,423 1.082,424 0.034,425 40.75,426 1.273,427 17.5,428 0.547,429 23.25,430 0.727,431 26.248,432 0.82,433 36.7,434 0.749,435 37.544,436 1.173,437 8.288,438 0.259,439 6.888,440 0.215,441 0.168,442 0.058,443 0.378,447 0.889,448 1.668,449 0.742,450 1.406,451 0.836,452 0.9,453 0.808,454 1.015,455 0.812,456 0.937,457 0.662,458 0.916,459 1.042,460 1.221,461 0.99,462 1.157,463 0.945,464 1.072,465 1.093,466 0.858,467 1.049,468 0.921,469 1.029,470 0.992,471 1.082,472 0.981,473 1.141,474 1.121,475 1.07,476 0.983,477 1.077,478 0.997,479 1.285,480 1.257,481 1.093,482 1.036,483 1.246,484 0.822,485 1.229,486 0.942,487 1.261,488 1.072,489 1.184,490 1.086,491 1.121,492 1.116,493 1.219,494 1.113,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 56957,507 2.019,508 34.7,510 7,511 2,512 2,513 6,518 1.743,519 1.837,520 3.593,521 3.415,524 97.982,525 2,526 4.459,527 5.232,528 5.451,529 5.492,530 5.492,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 275.121,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.169,558 -0.349,559 0.149,560 -0.177,561 -0.201,562 0.035,563 0.102,564 0.138,565 -0.045,566 0.041,567 0.091,568 -0.032,569 -0.048,570 -0.211,571 -0.042,572 -0.129,573 -0.055,574 -0.098,575 -0.013,576 0.089,577 -0.045,578 0.036,579 0.041,580 -0.047,581 -0.058,582 -0.018,583 0.042,584 -0.005,585 -0.099,586 0.038,587 0.079,588 -0.039,589 -0.095,590 -0.126,591 0.121,592 -0.066,593 -0.098,594 0.086,595 -0.208,596 0.013,597 -0.086,598 -0.128,599 -0.183,600 -0.15,601 -0.075,602 -0.098,603 -0.141,604 -0.094,605 5.584,606 5.081,607 0.625,608 32.086,609 1.058,610 1.146,611 -0.118,612 0.014,613 0.656,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.667,626 467.47,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 14.3,640 1,643 2,644 1,646 3,650 2,651 2,652 3,653 1,654 1,655 10,659 1,666 49,667 16,669 35,671 52,672 16,673 5,676 6,677 4,678 5,683 3,686 3,688 11,689 5,691 6,693 1,694 4,695 3,697 3,700 17,701 14,702 6,703 16,704 1,706 1,707 7,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,725 1,726 2,727 1,730 2,731 1,732 3,733 1,739 32,740 1,742 1,743 2,744 1,745 2,746 2,747 4,754 16.3,755 2,757 4,758 2,761 17.417,762 8.2,763 6.833,764 2.417,765 2.584,766 1.331,767 0.923,768 6.064,769 10.401,770 3.85,771 4.469,772 4.962,773 5.505,774 5.903,775 6.193,776 6.497,777 6.834,778 6.791,779 6.952,780 1,781 53,782 12.565,783 6.279,784 8.461,785 21.11,786 17.609,787 2.961,788 94.75,789 129.482,790 76.123,791 119.569,793 199.515,795 7.511,796 68.612,797 328.997,798 119.569,800 48.056,801 144.728,802 207.79,803 15.847,804 25.87,805 82.398,807 129.482,808 188.18,809 199.515,810 7.511,812 129.482,813 94.603,814 104.912,815 62.004,816 56.867,817 76.82,819 129.482,820 319.083,821 76.123,823 7.511,824 129.482,825 23.375,826 47.136,827 34.416,828 282.769,829 129.482,830 319.083,831 76.123,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.115,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 156,848 1,849 22.441,850 8.647,851 4.44,852 0.474,853 317.184,854 2.454,855 11.856,856 0.098,857 1.305,858 152.68,859 524.689,860 46,862 -4.667,863 47.77,864 3.737,866 -2.446,867 51.825,868 56.159,869 0.356,870 0.794,871 0.932,872 0.971,873 0.978,874 0.978,875 5.139,876 1.59,877 6.08,878 5.162,879 4.654,880 5.156,881 2.511,882 6.969,883 4.552,884 6.386,885 1.542,886 7.701,887 4.71,888 4.511,889 5.301,891 8.155,892 4.409,893 7.747,894 1.414,895 9.427,896 3.671,897 6.372,898 7.45,899 3.003,900 11.204,901 6.191,902 9.144,903 1.048,904 11.211,905 3.07,906 7.013,907 8.407,909 13.149,910 6.826,911 10.575,912 1.038,913 13.031,914 2.926,915 8.411,916 10.122,917 3.667,918 15.771,919 8.162,920 12.029,921 0.77,922 14.874,923 2.615,924 9.365,925 11.402,927 17.992,928 9.097,929 13.499,930 0.69,931 16.732,932 1.829,933 10.607,934 12.979,935 4.454,936 20.478,937 10.289,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.391,945 22.81,946 11.34,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.92,953 5.309,954 25.251,955 12.486,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.387,963 27.631,964 13.583,965 2.882,966 10.114,967 24.253,968 4.487,969 15.177,970 18.901,971 6.197,972 30.058,973 14.715,974 2.388,975 9.48,976 26.146,977 3.69,978 16.329,979 20.392,981 32.461,982 15.832,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.903,989 7.099,990 34.886,991 16.963,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.404,999 37.301,1000 18.09,1001 13815,1002 27585,1003 22.482,1004 32.131,1005 54.12,1006 57.105,1007 56.379,1008 53.305,1009 53.442,1010 68.347,1011 9.317,1012 163.554,1013 50.585,1014 5.689,1015 6.474,1016 6.609,1017 5.361,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.154,1023 19.512,1024 1.546,1025 1.632,1026 1.611,1027 1.523,1028 1.527,1029 1.953,1030 0.266,1031 4.673,1032 1.445,1033 4.108,1034 4.157,1035 4.709,1036 3.915,1037 7.725,1038 3.946,1039 3.972,1040 3.952,1041 4.08,1042 3.848,1043 7.444,1044 3.799,1045 3.821,1046 3.835,1047 3.808,1048 3.687,1049 7.413,1050 3.664,1051 3.747,1052 3.735,1053 3.711,1054 3.576,1055 6.999,1056 3.561,1057 3.341,1058 3.421,1059 3.267,1060 3.088,1061 6.494,1062 3.12,1063 3.216,1064 3.242,1065 3.176,1066 3,1067 6.4,1068 3.019,1069 3.085,1070 3.118,1071 2.97,1072 2.858,1073 5.271,1074 2.863,1075 2.989,1076 3.099,1077 2.903,1078 2.679,1079 4.856,1080 2.719,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 4.474,1089 0.045,1090 6.924,1091 0.332,1092 4.245,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.213,1099 1.814,1100 1.802,1101 1.9,1102 2.008,1103 1.172,1104 1.97,1105 1.797,1106 1.751,1107 1.849,1108 1.981,1109 0.999,1110 1.965,1111 1.639,1112 1.657,1113 1.777,1114 1.854,1115 0.94,1116 1.857,1117 1.551,1118 1.529,1119 1.651,1120 1.804,1121 0.756,1122 1.774,1123 1.437,1124 1.416,1125 1.37,1126 1.682,1127 0.563,1128 1.678,1129 1.131,1130 1.085,1131 1.329,1132 1.429,1133 0.406,1134 1.401,1135 1.046,1136 1.029,1137 1.148,1138 1.285,1139 0.215,1140 1.261,1141 0.82,1142 0.768,1143 1.082,1144 1.223,1145 0.135,1146 1.211,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1161 5.722,1162 20.644,1163 -0.744,1164 3.809,1165 10.245,1166 -5.506,1170 32.689,1171 97.982,1172 218.492,1173 256.366,1174 267.121,1175 269.121,1176 269.121,1177 94.117,1178 7.817,1179 224.64,1180 233.02,1181 22,1182 12.863,1183 4.087,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 201.916,1190 358.83,1191 484.435,1192 28622,1194 23.043,1195 0.72,1196 0.526,1197 23.293,1198 16.838,1199 15.176,1200 0.434,1201 0.298,1202 8.867,1203 13.392,1204 8.725,1205 7.101,1206 16.03,1207 10.423,1208 14.665,1209 0.282,1210 0.155,1211 15.974,1212 8.06,1213 12.209,1214 0.177,1215 0.08,1216 13.057,1217 5.548,1218 10.121,1219 0.112,1220 0.042,1221 10.972,1222 3.817,1223 7.362,1224 0.07,1225 0.023,1226 8.11,1227 2.466,1228 0.277,1229 107.597,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 714.131,1235 242.161,1236 679.408,1237 893.54,1238 624,1239 208,1240 606.56,1241 288.094,1242 637.725,1243 943,1244 596,1245 5.432}
{0 CHEMBL1162044,1 2.099,2 12.594,3 -1.767,4 3.123,5 103.837,6 9.78,7 0.457,8 4.063,9 4.143,10 3.951,11 3.456,12 5.349,13 3.53,14 4.605,15 4.711,16 4.277,17 3.837,18 6.161,19 3.909,20 4.831,21 4.963,22 4.359,23 3.932,24 6.295,25 3.989,26 4.91,27 5.067,28 4.355,29 3.897,30 6.546,31 3.947,32 4.817,33 4.98,34 4.303,35 3.85,36 6.231,37 3.872,38 4.783,39 4.918,40 4.281,41 3.757,42 6.535,43 3.824,44 4.686,45 4.838,46 4.033,47 3.659,48 6.281,49 3.692,50 4.56,51 4.733,52 3.908,53 3.567,54 6.031,55 3.587,56 0.442,57 0.835,58 8.504,59 3.789,60 67.818,61 3.327,62 1.156,63 1.24,64 14.229,65 6.318,66 127.316,67 5.992,68 1.584,69 1.396,70 23.732,71 8.429,72 187.55,73 8.261,74 1.972,75 1.342,76 28.129,77 8.371,78 268.365,79 8.191,80 1.604,81 1.217,82 29.922,83 8.442,84 193.311,85 8.451,86 1.788,87 1.047,88 28.303,89 7.634,90 267.118,91 7.491,92 1.534,93 0.954,94 22.965,95 6.791,96 204.772,97 6.83,98 1.248,99 0.924,100 21.189,101 6.07,102 184.14,103 6.473,104 50,105 52,106 0.353,107 0.754,108 0.879,109 0.91,110 0.917,111 0.917,112 3.502,113 0.887,114 -1.53,115 -1.6,116 -1.64,119 33.3,125 1,127 3,128 1,134 2,135 1,137 1,138 1,139 2,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 2,159 7,160 3,162 1,163 5,165 1,166 1,168 3,169 2,170 1,171 4,172 1,173 1,177 7,178 4,180 2,181 5,183 1,187 3,188 3,190 4,197 4,198 3,200 1,201 5,202 1,211 5,212 1,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 7,235 2,237 1,238 4,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.189,254 11.847,255 21.536,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 22.802,263 5.543,264 18.303,265 3.485,266 1.096,267 0.349,268 0.167,269 0.125,270 0.125,271 4.188,275 1,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 74.425,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 76,295 403,296 4.705,297 4.474,298 6.924,299 4.244,300 3.303,301 4.581,302 1.579,303 11.611,304 3.206,305 4.641,306 3.589,307 6.764,308 4.205,309 3.232,310 4.489,311 1.041,312 11.104,313 3.041,314 4.278,315 3.568,316 6.528,317 3.938,318 2.998,319 3.899,320 0.98,321 10.114,322 2.821,323 4.14,324 3.128,325 6.341,326 3.855,327 2.882,328 3.324,330 9.48,331 2.794,332 3.661,333 2.876,334 5.891,335 3.314,336 2.388,337 2.92,339 7.931,340 2.203,341 3.357,342 2.595,343 5.237,344 2.893,345 1.942,346 2.592,347 5.876,348 1.83,349 3.058,350 2.244,351 4.867,352 2.817,353 1.882,354 2.324,355 5.162,356 1.745,357 3.03,358 1.969,359 4.783,360 2.483,361 1.59,362 2.112,363 4.71,364 1.415,365 2.861,366 1.664,367 4.144,368 2.444,369 1.542,370 2.015,371 3.671,372 1.386,373 2.733,374 1.549,375 4.069,376 2.37,377 1.414,378 1.763,379 3.07,380 1.335,381 2.55,382 1.469,383 3.894,384 2.019,385 1.048,386 1.512,387 2.926,388 1.01,389 2.413,390 1.315,391 3.605,392 1.945,393 1.038,394 1.386,395 2.615,396 0.937,397 2.101,398 1.239,399 3.439,400 1.666,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.898,407 3.303,408 1.553,409 0.69,410 0.728,411 1.679,412 0.589,413 1.1,414 0.75,415 2.937,416 0.828,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.252,422 0.445,423 1.082,424 0.034,425 42.25,426 1.32,427 19,428 0.594,429 23.25,430 0.727,431 25.772,432 0.805,433 36.748,434 0.766,435 38.021,436 1.188,437 8.503,438 0.266,439 6.674,440 0.209,441 0.165,442 0.058,443 0.379,446 1,447 0.849,448 1.49,449 0.722,450 1.415,451 0.82,452 0.911,453 0.794,454 0.901,455 0.801,456 0.907,457 0.658,458 0.89,459 1.015,460 1.185,461 0.982,462 1.162,463 0.908,464 1.074,465 1.1,466 0.842,467 1.067,468 0.902,469 1.03,470 0.983,471 1.037,472 0.943,473 1.135,474 1.142,475 1.024,476 1.002,477 1.007,478 0.88,479 1.204,480 1.176,481 1.034,482 1.03,483 1.085,484 0.751,485 1.187,486 0.961,487 1.11,488 1.092,489 1.18,490 1.024,491 1.138,492 1.093,493 1.213,494 1.105,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 59077,507 2.019,508 33.3,510 7,511 1,512 3,513 5,518 1.743,519 1.837,520 3.593,521 2.593,524 100.775,525 2.099,526 4.489,527 5.236,528 5.418,529 5.46,530 5.46,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 268.078,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.153,558 -0.321,559 0.146,560 -0.197,561 -0.19,562 0.018,563 0.085,564 0.137,565 -0.044,566 0.056,567 0.088,568 -0.018,569 -0.055,570 -0.241,571 -0.04,572 -0.141,573 -0.049,574 -0.102,575 -0.024,576 0.104,577 -0.056,578 0.053,579 0.039,580 -0.036,581 -0.053,582 -0.046,583 0.049,584 -0.024,585 -0.093,586 0.033,587 0.108,588 0.01,589 -0.065,590 -0.096,591 0.143,592 -0.064,593 -0.053,594 0.027,595 -0.175,596 -0.01,597 -0.048,598 -0.127,599 -0.192,600 -0.121,601 -0.077,602 -0.08,603 -0.154,604 -0.073,605 5.625,606 5.542,607 0.625,608 32.086,609 1.063,610 1.152,611 0.299,612 0.089,613 0.659,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.674,626 469.46,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 14.6,640 1,643 1,644 1,646 4,650 2,651 5,652 4,653 3,654 1,655 16,659 1,665 1,666 48,667 19,669 35,671 51,672 16,673 10,676 1,677 4,678 5,683 3,686 3,688 11,689 5,691 3,693 1,694 3,697 1,699 1,700 16,701 14,702 5,703 16,704 1,706 1,707 7,711 0.75,712 7,714 2,715 1,716 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,737 1,739 32,740 1,742 1,743 2,744 1,745 1,746 2,747 4,753 1,754 14.6,755 2,757 3,758 2,761 17.417,762 8.126,763 6.833,764 2.382,765 2.842,766 1.364,767 0.923,768 6.046,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.613,783 6.344,784 8.508,785 21.03,786 17.508,787 3.008,788 96.25,789 129.482,790 80.111,791 118.343,793 174.37,794 14.96,795 7.511,796 72.599,797 303.852,798 133.304,800 20.997,801 144.728,802 206.497,803 39.855,804 22.791,805 82.398,807 129.482,808 190.943,809 189.33,810 7.511,812 129.482,813 69.458,814 119.872,815 53.041,816 70.76,817 74.653,819 144.442,820 292.713,821 80.111,823 7.511,824 129.482,825 27.362,826 47.136,827 16.405,828 289.369,829 129.482,830 307.673,831 80.111,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.118,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.416,850 8.631,851 4.431,852 0.458,853 305.774,854 5.798,855 15.084,856 -1.688,857 1.294,858 134.669,859 517.266,860 46,862 -4.709,863 36.05,866 -1.302,867 51.011,868 55.29,869 0.376,870 0.804,871 0.938,872 0.97,873 0.978,874 0.978,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.31,882 6.969,883 4.532,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.375,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.87,900 11.204,901 6.158,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.784,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.593,918 15.771,919 8.12,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.048,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.417,936 20.478,937 10.239,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.285,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.291,954 25.251,955 12.429,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.522,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.188,972 30.058,973 14.653,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.768,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.095,990 34.886,991 16.897,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.023,1001 13815,1002 28102,1003 22.482,1004 31.614,1005 53.801,1006 56.352,1007 56.379,1008 53.412,1009 53.442,1010 69.277,1011 7.2,1012 163.554,1013 49.998,1014 5.683,1015 6.474,1016 6.609,1017 5.36,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.146,1023 19.512,1024 1.537,1025 1.61,1026 1.611,1027 1.526,1028 1.527,1029 1.979,1030 0.206,1031 4.673,1032 1.429,1033 4.109,1034 4.157,1035 4.709,1036 3.916,1037 8.203,1038 3.946,1039 3.98,1040 3.971,1041 4.08,1042 3.855,1043 7.724,1044 3.822,1045 3.838,1046 3.845,1047 3.849,1048 3.715,1049 7.427,1050 3.674,1051 3.75,1052 3.739,1053 3.711,1054 3.577,1055 6.999,1056 3.564,1057 3.34,1058 3.42,1059 3.266,1060 3.087,1061 6.494,1062 3.119,1063 3.193,1064 3.221,1065 3.157,1066 2.957,1067 6.4,1068 2.984,1069 3.073,1070 3.106,1071 2.969,1072 2.852,1073 5.271,1074 2.855,1075 2.989,1076 3.087,1077 2.878,1078 2.679,1079 4.856,1080 2.716,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 4.474,1089 0.045,1090 6.924,1091 0.332,1092 4.244,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.206,1099 1.841,1100 1.823,1101 1.915,1102 2.008,1103 1.172,1104 1.982,1105 1.797,1106 1.751,1107 1.849,1108 1.993,1109 0.999,1110 1.965,1111 1.641,1112 1.662,1113 1.777,1114 1.855,1115 0.951,1116 1.859,1117 1.551,1118 1.529,1119 1.651,1120 1.804,1121 0.756,1122 1.774,1123 1.436,1124 1.416,1125 1.361,1126 1.679,1127 0.557,1128 1.676,1129 1.124,1130 1.07,1131 1.304,1132 1.425,1133 0.402,1134 1.398,1135 0.998,1136 0.995,1137 1.148,1138 1.254,1139 0.163,1140 1.223,1141 0.816,1142 0.744,1143 1.076,1144 1.221,1145 0.113,1146 1.205,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1159 13.542,1161 5.716,1162 20.621,1163 -0.767,1164 1.518,1165 10.199,1166 -5.564,1170 32.358,1171 100.775,1172 215.449,1173 251.323,1174 260.078,1175 262.078,1176 262.078,1177 94.735,1178 7.817,1179 204.67,1180 213.05,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 199.118,1190 345.21,1191 477.608,1192 28622,1193 2.1,1194 23.043,1195 0.72,1196 0.524,1197 22.423,1198 16.755,1199 15.176,1200 0.434,1201 0.296,1202 8.785,1203 13.351,1204 8.651,1205 7.033,1206 15.619,1207 10.351,1208 14.665,1209 0.282,1210 0.154,1211 15.447,1212 7.989,1213 12.209,1214 0.177,1215 0.08,1216 12.603,1217 5.489,1218 10.121,1219 0.112,1220 0.042,1221 10.508,1222 3.772,1223 7.362,1224 0.07,1225 0.023,1226 7.989,1227 2.432,1228 0.277,1229 107.885,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 763.819,1235 243.971,1236 702.998,1237 920.69,1238 646,1239 208,1240 623.75,1241 289.592,1242 650.013,1243 962.07,1244 607,1245 5.538}
{0 CHEMBL1162045,1 2.099,2 12.594,3 -1.48,4 2.191,5 108.472,6 10.123,7 0.457,8 4.06,9 4.137,10 3.977,11 3.485,12 5.318,13 3.542,14 4.601,15 4.702,16 4.318,17 3.868,18 6.122,19 3.925,20 4.826,21 4.954,22 4.41,23 3.984,24 6.253,25 4.014,26 4.902,27 5.052,28 4.418,29 3.948,30 6.467,31 3.972,32 4.812,33 4.971,34 4.354,35 3.896,36 6.209,37 3.888,38 4.777,39 4.907,40 4.354,41 3.786,42 6.431,43 3.844,44 4.684,45 4.835,46 4.057,47 3.683,48 6.271,49 3.703,50 4.554,51 4.721,52 3.939,53 3.612,54 6,55 3.605,56 0.412,57 0.774,58 7.79,59 3.909,60 60.127,61 3.267,62 1.108,63 1.14,64 13.641,65 6.413,66 117.589,67 5.904,68 1.507,69 1.266,70 23.174,71 8.921,72 170.045,73 8.419,74 1.816,75 1.23,76 30.295,77 8.985,78 228.068,79 8.468,80 1.52,81 1.145,82 33.567,83 9.164,84 165.765,85 8.815,86 1.615,87 1.043,88 29.393,89 8.185,90 218.909,91 7.373,92 1.497,93 0.954,94 22.253,95 7.16,96 192.881,97 6.785,98 1.153,99 0.872,100 22.749,101 6.592,102 159.966,103 6.788,104 50,105 52,106 0.353,107 0.754,108 0.879,109 0.91,110 0.917,111 0.917,112 3.502,113 0.92,114 -1.65,115 -1.72,116 -1.75,119 33.3,125 1,127 3,128 1,134 2,135 1,137 1,138 1,139 2,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 2,159 7,160 4,162 1,163 5,165 1,166 2,168 3,169 2,170 1,171 4,172 1,173 1,175 1,177 7,178 5,180 2,181 5,183 2,185 1,187 3,188 3,190 4,197 4,198 6,200 1,201 5,202 1,211 5,212 1,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 7,235 3,237 1,238 4,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.162,254 11.847,255 21.599,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 22.773,263 5.543,264 18.438,265 3.485,266 1.096,267 0.349,268 0.167,269 0.125,270 0.125,271 4.188,273 1,275 1,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 68.641,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 74.833,295 403,296 4.705,297 4.474,298 6.924,299 4.243,300 3.303,301 4.581,302 1.579,303 11.611,304 3.204,305 4.641,306 3.59,307 6.764,308 4.205,309 3.232,310 4.489,311 1.041,312 11.104,313 3.04,314 4.278,315 3.57,316 6.528,317 3.938,318 2.998,319 3.899,320 0.98,321 10.114,322 2.808,323 4.14,324 3.128,325 6.341,326 3.84,327 2.882,328 3.324,330 9.48,331 2.759,332 3.661,333 2.894,334 5.891,335 3.314,336 2.388,337 2.92,339 7.931,340 2.203,341 3.357,342 2.595,343 5.237,344 2.875,345 1.942,346 2.592,347 5.876,348 1.78,349 3.058,350 2.245,351 4.867,352 2.814,353 1.882,354 2.324,355 5.162,356 1.737,357 3.03,358 1.969,359 4.783,360 2.483,361 1.59,362 2.112,363 4.71,364 1.415,365 2.861,366 1.673,367 4.144,368 2.444,369 1.542,370 2.015,371 3.671,372 1.386,373 2.733,374 1.549,375 4.069,376 2.339,377 1.414,378 1.763,379 3.07,380 1.234,381 2.55,382 1.469,383 3.894,384 2.018,385 1.048,386 1.512,387 2.926,388 1.007,389 2.413,390 1.315,391 3.605,392 1.945,393 1.038,394 1.386,395 2.615,396 0.937,397 2.101,398 1.239,399 3.439,400 1.665,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.898,407 3.303,408 1.553,409 0.69,410 0.728,411 1.679,412 0.589,413 1.1,414 0.75,415 2.937,416 0.826,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.681,422 0.459,423 1.082,424 0.034,425 42.25,426 1.32,427 19,428 0.594,429 23.25,430 0.727,431 26.675,432 0.834,433 36.319,434 0.757,435 37.117,436 1.16,437 8.376,438 0.262,439 6.8,440 0.213,441 0.189,442 0.057,443 0.368,447 0.886,448 1.666,449 0.659,450 1.314,451 0.879,452 0.869,453 0.83,454 0.989,455 0.731,456 0.86,457 0.682,458 0.858,459 1.045,460 1.205,461 0.899,462 1.056,463 0.949,464 1.021,465 1.118,466 0.845,467 1.068,468 0.946,469 1.058,470 0.998,471 1.066,472 0.989,473 1.027,474 1.086,475 1.055,476 1.002,477 1.125,478 0.982,479 1.054,480 1.213,481 1.24,482 1.014,483 1.184,484 0.832,485 0.995,486 0.898,487 1.278,488 1.048,489 1.19,490 1.064,491 1.127,492 1.108,493 1.238,494 1.122,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 59077,507 2.019,508 33.3,510 7,511 1,512 3,513 5,518 1.743,519 1.837,520 3.593,521 2.593,524 100.775,525 2.099,526 4.489,527 5.236,528 5.418,529 5.46,530 5.46,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 268.078,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.161,558 -0.371,559 0.105,560 -0.181,561 -0.22,562 0.019,563 0.096,564 0.149,565 -0.03,566 0.06,567 0.103,568 -0.012,569 -0.044,570 -0.196,571 -0.02,572 -0.059,573 -0.048,574 -0.065,575 -0.029,576 0.095,577 -0.059,578 0.019,579 0.028,580 -0.047,581 -0.04,582 -0.026,583 0.052,584 0.016,585 -0.069,586 0.023,587 0.049,588 -0.039,589 -0.007,590 -0.146,591 0.045,592 -0.056,593 -0.049,594 0.088,595 -0.131,596 0.036,597 -0.041,598 -0.104,599 -0.183,600 -0.141,601 -0.107,602 -0.097,603 -0.13,604 -0.092,605 5.517,606 5.13,607 0.625,608 32.086,609 1.059,610 1.144,611 0.42,612 0.176,613 0.678,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.683,626 485.91,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 14.6,640 1,643 1,644 1,646 4,650 2,651 5,652 4,653 3,654 1,655 16,659 1,665 1,666 48,667 19,669 35,671 51,672 16,673 10,676 1,677 4,678 5,679 1,683 3,686 3,688 11,689 5,691 3,693 1,694 3,697 1,700 16,701 13,702 5,703 16,704 2,706 1,707 7,711 0.75,712 7,714 2,715 1,716 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,736 1,739 32,740 1,742 1,743 2,744 1,745 1,746 2,747 4,753 1,754 14.6,755 2,757 3,758 2,761 17.417,762 8.126,763 6.833,764 2.382,765 2.842,766 1.364,767 0.924,768 6.285,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.481,783 6.156,784 8.386,785 21.17,786 17.617,787 2.886,788 92.361,789 129.482,790 74.49,791 118.343,792 39.149,793 174.37,795 7.511,796 66.979,797 343.001,798 118.343,800 20.997,801 144.728,802 206.497,803 24.895,804 56.319,805 82.398,807 129.482,808 185.322,809 174.37,810 46.66,812 129.482,813 69.458,814 104.912,815 53.041,816 65.14,817 74.653,818 39.149,819 129.482,820 292.713,821 113.639,823 7.511,824 129.482,825 21.742,826 47.136,827 16.405,828 313.558,829 129.482,830 292.713,831 113.639,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.118,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.754,850 8.839,851 4.558,852 0.5,853 290.814,854 6.48,855 15.571,856 -0.267,857 1.321,858 134.669,859 535.834,860 46,862 -4.601,863 36.364,866 -1.059,867 50.822,868 54.894,869 0.376,870 0.804,871 0.938,872 0.97,873 0.978,874 0.978,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.31,882 6.969,883 4.52,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.355,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.87,900 11.204,901 6.142,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.762,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.593,918 15.771,919 8.101,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.025,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.417,936 20.478,937 10.217,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.261,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.291,954 25.251,955 12.405,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.497,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.188,972 30.058,973 14.628,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.742,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.095,990 34.886,991 16.872,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 17.997,1001 13815,1002 28102,1003 22.482,1004 32.534,1005 53.801,1006 56.386,1007 56.379,1008 53.511,1009 53.442,1010 69.277,1011 7.2,1012 163.554,1013 49.575,1014 5.683,1015 6.474,1016 6.609,1017 5.359,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.144,1023 19.512,1024 1.537,1025 1.611,1026 1.611,1027 1.529,1028 1.527,1029 1.979,1030 0.206,1031 4.673,1032 1.416,1033 4.108,1034 4.157,1035 4.71,1036 3.918,1037 7.725,1038 3.946,1039 3.978,1040 3.965,1041 4.081,1042 3.859,1043 7.427,1044 3.828,1045 3.835,1046 3.842,1047 3.99,1048 3.728,1049 6.999,1050 3.677,1051 3.749,1052 3.737,1053 3.711,1054 3.577,1055 6.494,1056 3.565,1057 3.34,1058 3.42,1059 3.312,1060 3.087,1061 6.4,1062 3.119,1063 3.192,1064 3.221,1065 3.266,1066 2.964,1067 5.271,1068 2.986,1069 3.073,1070 3.105,1071 3.156,1072 2.855,1073 5.023,1074 2.856,1075 2.989,1076 3.085,1077 2.968,1078 2.68,1079 4.856,1080 2.716,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 4.474,1089 0.045,1090 6.924,1091 0.332,1092 4.243,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.204,1099 1.844,1100 1.828,1101 1.907,1102 2.008,1103 1.172,1104 1.976,1105 1.797,1106 1.751,1107 1.849,1108 1.979,1109 0.999,1110 1.965,1111 1.641,1112 1.663,1113 1.777,1114 1.851,1115 0.961,1116 1.857,1117 1.551,1118 1.529,1119 1.651,1120 1.803,1121 0.756,1122 1.774,1123 1.436,1124 1.416,1125 1.361,1126 1.678,1127 0.557,1128 1.676,1129 1.124,1130 1.07,1131 1.303,1132 1.425,1133 0.403,1134 1.398,1135 0.999,1136 0.997,1137 1.148,1138 1.253,1139 0.168,1140 1.222,1141 0.816,1142 0.744,1143 1.076,1144 1.221,1145 0.119,1146 1.204,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1158 5.767,1161 5.731,1162 20.68,1163 -0.706,1164 1.673,1165 10.318,1166 -5.413,1170 32.802,1171 100.775,1172 215.449,1173 251.323,1174 260.078,1175 262.078,1176 262.078,1177 89.294,1178 7.817,1179 204.67,1180 213.05,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 206.253,1190 354.35,1191 495.017,1192 28622,1193 2.1,1194 23.043,1195 0.72,1196 0.547,1197 23.793,1198 17.511,1199 15.176,1200 0.434,1201 0.307,1202 8.841,1203 13.181,1204 8.651,1205 7.033,1206 16.319,1207 10.729,1208 14.665,1209 0.282,1210 0.161,1211 16.345,1212 8.347,1213 12.209,1214 0.177,1215 0.084,1216 13.416,1217 5.79,1218 10.121,1219 0.112,1220 0.044,1221 11.322,1222 3.977,1223 7.362,1224 0.07,1225 0.024,1226 8.293,1227 2.558,1228 0.277,1229 110.195,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 703.911,1235 256.116,1236 702.998,1237 920.69,1238 646,1239 208,1240 607.28,1241 297.81,1242 650.013,1243 962.07,1244 607,1245 6.757}
{0 CHEMBL1162046,1 1.96,2 12.516,3 -2.978,4 8.869,5 102.134,6 8.837,7 0.294,8 4.131,9 4.222,10 3.944,11 3.46,12 5.296,13 3.525,14 4.723,15 4.857,16 4.259,17 3.86,18 6.132,19 3.916,20 4.947,21 5.109,22 4.323,23 3.987,24 6.252,25 4.009,26 5.004,27 5.185,28 4.304,29 3.973,30 6.434,31 3.974,32 4.933,33 5.123,34 4.266,35 3.919,36 6.263,37 3.897,38 4.858,39 5.006,40 4.218,41 3.798,42 6.338,43 3.841,44 4.794,45 4.944,46 4.051,47 3.673,48 6.398,49 3.707,50 4.597,51 4.792,52 3.889,53 3.599,54 5.944,55 3.581,56 0.414,57 0.784,58 12.082,59 3.732,60 54.833,61 4.602,62 1.301,63 1.159,64 22.216,65 6.662,66 121.11,67 8.111,68 1.67,69 1.292,70 33.001,71 8.341,72 164.528,73 10.948,74 1.889,75 1.251,76 35.841,77 8.668,78 221.791,79 11.364,80 1.727,81 1.144,82 40.081,83 9.099,84 183.268,85 11.405,86 1.654,87 0.999,88 38.119,89 7.725,90 223.459,91 8.986,92 1.914,93 0.9,94 28.376,95 6.305,96 225.555,97 7.764,98 1.048,99 0.849,100 24.395,101 5.866,102 133.674,103 8.439,104 37,105 50,106 0.328,107 0.682,108 0.824,109 0.864,110 0.87,111 0.87,112 3.472,113 0.94,114 -0.55,115 -0.68,116 -0.82,119 28.8,125 5,127 3,128 1,138 1,139 1,140 1,148 1,149 1,150 1,152 1,153 1,154 1,159 8,162 1,163 6,168 4,170 1,171 4,172 1,177 9,180 2,181 4,187 4,190 5,197 1,200 1,201 5,202 1,211 9,215 4,216 2,219 1,227 3,228 1,231 1,234 7,237 1,238 5,246 1623,247 20.413,248 20.413,249 20.413,250 20.413,251 20.413,252 18.768,253 24.154,254 11.69,255 21.189,256 16.717,257 16.717,258 16.717,259 16.717,260 16.717,261 14.088,262 28.353,263 5.502,264 18.027,265 3.74,266 1.622,267 0.774,268 0.538,269 0.5,270 0.5,271 4.16,275 1,276 842,277 4.062,280 163.108,281 209.16,282 136.586,284 1.919,285 67.021,286 0.75,287 0.67,288 0.83,289 0.8,290 1,291 0.67,292 0.5,293 0.75,294 73.5,295 388,296 4.699,297 4.475,298 6.924,299 4.238,300 3.303,301 4.581,302 1.678,303 11.611,304 3.189,305 4.641,306 3.644,307 6.753,308 4.199,309 3.224,310 4.484,311 1.579,312 11.074,313 3.04,314 4.14,315 3.581,316 6.528,317 3.936,318 2.996,319 3.324,320 1.041,321 10.113,322 2.805,323 3.885,324 3.128,325 5.971,326 3.643,327 2.7,328 3.044,329 0.86,330 8.389,331 2.537,332 3.661,333 2.596,334 5.89,335 3.313,336 2.388,337 2.92,338 0.527,339 7.929,340 2.202,341 3.058,342 2.553,343 5.236,344 2.83,345 1.904,346 2.324,347 5.872,348 1.752,349 3.031,350 2.245,351 4.787,352 2.674,353 1.745,354 2.112,355 4.717,356 1.605,357 2.911,358 1.969,359 4.288,360 2.483,361 1.59,362 1.902,363 4.033,364 1.415,365 2.733,366 1.931,367 4.143,368 2.444,369 1.542,370 1.761,371 3.671,372 1.386,373 2.413,374 1.549,375 4.068,376 1.956,377 1.056,378 1.386,379 2.926,380 0.946,381 2.184,382 1.469,383 3.624,384 1.952,385 1.039,386 1.128,387 2.533,388 0.94,389 2.101,390 1.256,391 3.355,392 1.942,393 1,394 1,395 2.136,396 0.929,397 2,398 1.239,399 3.301,400 1.665,401 0.77,402 0.995,403 1.829,404 0.687,405 1.772,406 0.899,407 3.247,408 1.55,409 0.688,410 0.725,411 1.671,412 0.587,413 1.1,414 0.752,415 2.9,416 0.822,417 -0.034,418 -0.035,419 -0.079,420 -0.028,421 13.8,422 0.445,423 0.992,424 0.032,425 36.25,426 1.169,427 13,428 0.419,429 23.25,430 0.75,431 27.761,432 0.896,433 37.2,434 0.715,435 32.503,436 1.048,437 7.249,438 0.234,439 7.517,440 0.242,441 0.15,442 0.06,443 0.348,447 0.898,448 1.949,449 0.752,450 1.598,451 0.848,452 1.051,453 0.923,454 0.974,455 0.851,456 0.891,457 0.655,458 0.896,459 1.016,460 1.189,461 0.98,462 1.117,463 0.891,464 1.054,465 1.019,466 0.932,467 1.007,468 0.954,469 1.094,470 1.025,471 0.972,472 0.949,473 1.204,474 1.147,475 1.074,476 0.944,477 1.412,478 1.114,479 1.463,480 1.404,481 1.547,482 1.045,483 1.292,484 0.754,485 1.175,486 0.796,487 1.55,488 1.039,489 0.897,490 1.24,491 0.95,492 1.212,493 0.992,494 1.123,495 7,496 0.243,497 4.667,498 3.111,499 2.024,500 1.24,501 0.88,502 0.547,503 0.364,504 0.293,505 13420,506 48931,507 2.038,508 40.4,510 13,511 1,512 2,513 5,518 1.735,519 1.869,520 3.59,521 2.637,524 101.929,525 1.96,526 4.079,527 4.926,528 5.162,529 5.2,530 5.2,531 3.039,532 4.632,533 4.927,534 3.777,535 1756.12,536 8.596,537 25230.4,539 296.423,540 1.663,541 4.859,542 0.206,543 0.009,544 0.093,545 0.062,546 0.044,547 0.029,548 0.021,549 0.016,550 0.012,551 0.01,552 0.502,553 0.17,554 0.88,555 0.618,556 161.969,557 -0.146,558 -0.528,559 0.177,560 -0.273,561 -0.184,562 -0.026,563 0.054,564 0.186,565 -0.021,566 0.091,567 0.118,568 0.026,569 -0.028,570 -0.148,571 -0.034,572 -0.088,573 -0.024,574 -0.07,575 0.005,576 0.043,577 -0.03,578 0.01,579 0.003,580 -0.065,581 0.037,582 0.033,583 0.024,584 0.032,585 -0.032,586 0.081,587 -0.215,588 -0.12,589 -0.205,590 -0.186,591 -0.158,592 -0.072,593 -0.008,594 0.146,595 -0.221,596 0.079,597 -0.069,598 -0.168,599 -0.002,600 -0.245,601 0.056,602 -0.168,603 0.021,604 -0.09,605 5.398,606 5.093,607 0.645,608 31.099,609 1.05,610 1.154,611 -0.676,612 0.457,613 0.628,614 3.555,615 3.932,616 4.205,617 4.466,618 4.635,619 4.718,620 4.844,621 4.963,622 4.977,623 4.977,624 7.349,625 0.63,626 459.5,627 3.555,628 5.13,629 5.994,630 6.897,631 7.779,632 8.685,633 9.576,634 10.485,635 11.381,636 12.292,637 13.5,640 1,643 2,644 1,646 3,650 2,651 2,652 3,653 1,654 1,655 10,659 1,666 52,667 13,669 34,671 55,672 15,673 5,677 4,678 5,680 1,683 3,686 3,688 6,689 9,691 3,693 1,694 3,697 1,700 21,701 14,702 5,703 16,704 1,706 1,707 7,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 2,732 3,733 1,739 31,740 1,742 1,743 2,744 5,745 1,746 3,747 4,748 1,754 15.4,755 2,757 3,758 3,761 16.583,762 8.65,763 6.639,764 2.715,765 2.096,766 1.271,767 0.908,768 6.382,769 9.835,770 3.761,771 4.36,772 4.819,773 5.37,774 5.765,775 6.083,776 6.43,777 6.771,778 6.74,779 6.886,780 1,781 50,782 12.102,783 5.904,784 8.32,785 20.936,786 17.54,787 2.82,788 87.417,789 188.338,790 53.2,791 104.682,793 185.37,795 7.511,796 45.689,797 373.707,798 104.682,800 37.518,801 125.775,802 184.236,803 12.662,804 18.375,805 153.024,807 188.338,808 150.371,809 185.37,810 7.511,812 188.338,813 69.458,814 115.912,815 60.514,816 39.501,817 57.868,819 188.338,820 290.052,821 53.2,823 7.511,824 188.338,825 28.452,826 22.261,827 16.405,828 268.624,829 188.338,830 290.052,831 53.2,833 0.598,834 0.351,835 0.184,836 0.095,837 25,838 12,839 0.091,840 5,841 1,842 1.1,843 4.159,844 282.157,845 0.1,846 20,847 147.58,848 1,849 22.253,850 8.891,851 4.641,852 0.539,853 288.153,854 2.511,855 11.92,856 0.124,857 1.343,858 134.669,859 531.59,860 42,862 -4.481,863 36.219,866 -0.851,867 54.593,868 59.99,869 0.344,870 0.716,871 0.864,872 0.906,873 0.912,874 0.912,875 5.053,876 1.59,877 6.033,878 4.717,879 4.615,880 5.047,881 2.692,882 6.913,883 4.473,884 6.278,885 1.542,886 7.646,887 4.033,888 4.443,889 5.207,890 1.305,891 8.091,892 4.296,893 7.632,894 1.056,895 9.366,896 3.671,897 6.323,898 7.327,899 3.312,900 11.136,901 6.073,902 9.026,903 1.039,904 11.145,905 2.926,906 6.948,907 8.318,908 2.419,909 13.082,910 6.693,911 10.456,912 1,913 12.962,914 2.533,915 8.355,916 10.02,917 4.119,918 15.702,919 8.019,920 11.911,921 0.77,922 14.802,923 2.136,924 9.301,925 11.326,926 3.517,927 17.927,928 8.946,929 13.383,930 0.688,931 16.659,932 1.829,933 10.547,934 12.901,935 5.013,936 20.414,937 10.13,938 3.303,939 -0.034,940 18.527,941 1.671,942 11.623,943 14.33,944 4.595,945 22.751,946 11.176,947 3.224,948 11.611,949 20.404,950 -0.079,951 12.814,952 15.864,953 5.949,954 25.195,955 12.315,956 2.996,957 11.074,958 22.288,959 4.581,960 13.944,961 17.341,962 5.656,963 27.58,964 13.409,965 2.7,966 10.113,967 24.176,968 4.484,969 15.118,970 18.861,971 6.905,972 30.011,973 14.538,974 2.388,975 8.389,976 26.07,977 3.324,978 16.271,979 20.358,980 6.706,981 32.418,982 15.652,983 1.904,984 7.929,985 27.966,986 3.044,987 17.441,988 21.874,989 7.874,990 34.846,991 16.781,992 1.745,993 5.872,994 29.866,995 2.92,996 18.605,997 23.38,998 7.75,999 37.265,1000 17.907,1001 12767,1002 24552,1003 22.076,1004 32.653,1005 51.873,1006 54.571,1007 53.88,1008 51.79,1009 51.889,1010 63.373,1011 11.37,1012 157.006,1013 48.04,1014 5.699,1015 6.475,1016 6.726,1017 5.355,1018 5.303,1019 7.581,1020 3.257,1021 19.32,1022 5.097,1023 17.579,1024 1.526,1025 1.605,1026 1.585,1027 1.523,1028 1.526,1029 1.864,1030 0.334,1031 4.618,1032 1.413,1033 4.108,1034 4.157,1035 4.709,1036 3.911,1037 7.725,1038 3.945,1039 3.959,1040 3.937,1041 4.08,1042 3.828,1043 7.428,1044 3.738,1045 3.787,1046 3.821,1047 3.711,1048 3.584,1049 6.999,1050 3.602,1051 3.729,1052 3.724,1053 3.684,1054 3.53,1055 6.494,1056 3.517,1057 3.34,1058 3.42,1059 3.266,1060 3.085,1061 6.4,1062 3.117,1063 3.195,1064 3.223,1065 3.145,1066 2.941,1067 5.271,1068 2.926,1069 3.111,1070 3.206,1071 2.968,1072 2.886,1073 4.856,1074 2.91,1075 3.072,1076 3.106,1077 2.878,1078 2.797,1079 4.617,1080 2.824,1081 0.138,1082 0.132,1083 0.204,1084 0.125,1085 0.097,1086 4.699,1087 0.135,1088 4.475,1089 0.049,1090 6.924,1091 0.341,1092 4.238,1093 0.094,1094 3.303,1095 4.581,1096 1.678,1097 11.611,1098 3.189,1099 1.797,1100 1.751,1101 1.917,1102 2.008,1103 1.193,1104 1.978,1105 1.732,1106 1.725,1107 1.849,1108 1.989,1109 1.171,1110 1.965,1111 1.631,1112 1.614,1113 1.777,1114 1.856,1115 0.998,1116 1.863,1117 1.549,1118 1.526,1119 1.651,1120 1.804,1121 0.825,1122 1.775,1123 1.433,1124 1.415,1125 1.513,1126 1.684,1127 0.757,1128 1.679,1129 1.153,1130 1.064,1131 1.359,1132 1.429,1133 0.568,1134 1.429,1135 1.12,1136 1.062,1137 1.288,1138 1.376,1139 0.404,1140 1.399,1141 0.929,1142 0.925,1143 1.147,1144 1.283,1145 0.239,1146 1.238,1147 4.234,1149 5.595,1150 3.045,1151 7.136,1152 5.476,1153 8.756,1154 7.627,1155 10.417,1161 5.735,1162 20.667,1163 0.438,1164 1.781,1165 15.468,1166 -5.264,1167 1.267,1170 32.743,1171 101.929,1172 212.1,1173 256.158,1174 268.423,1175 270.423,1176 270.423,1177 84.651,1178 7.739,1179 204.25,1180 212.63,1181 22,1182 12.81,1183 3.807,1184 3.17,1185 49.593,1186 137,1187 137,1188 0.175,1189 201.106,1190 349.45,1191 482.458,1192 25745,1194 22.173,1195 0.715,1196 0.545,1197 22.423,1198 16.882,1199 14.766,1200 0.434,1201 0.313,1202 9.066,1203 12.877,1204 8.932,1205 7.213,1206 15.619,1207 10.659,1208 14.137,1209 0.283,1210 0.164,1211 15.447,1212 8.223,1213 11.755,1214 0.178,1215 0.087,1216 12.603,1217 5.768,1218 9.65,1219 0.112,1220 0.046,1221 10.508,1222 3.992,1223 7.248,1224 0.071,1225 0.026,1226 7.989,1227 2.63,1228 0.278,1229 105.676,1230 0.213,1231 29.278,1232 0.47,1233 168,1234 681.444,1235 237.685,1236 638.941,1237 840.93,1238 590,1239 200,1240 565.405,1241 282.146,1242 593.211,1243 880.4,1244 554,1245 4}
{0 CHEMBL1162047,1 1.907,2 11.833,3 -1.197,4 1.434,5 101.191,6 8.51,7 0.303,8 4.112,9 4.206,10 3.903,11 3.509,12 5.244,13 3.542,14 4.711,15 4.846,16 4.225,17 3.937,18 6.081,19 3.95,20 4.986,21 5.17,22 4.272,23 4.027,24 6.247,25 4.006,26 5.001,27 5.198,28 4.272,29 3.952,30 6.402,31 3.948,32 4.882,33 5.057,34 4.22,35 3.904,36 6.215,37 3.88,38 4.841,39 4.99,40 4.161,41 3.801,42 6.325,43 3.832,44 4.768,45 4.935,46 3.948,47 3.692,48 6.289,49 3.691,50 4.607,51 4.805,52 3.853,53 3.634,54 5.929,55 3.596,56 0.332,57 0.807,58 12.877,59 4.266,60 50.756,61 5.165,62 1.066,63 1.239,64 22.147,65 7.861,66 120.125,67 9.692,68 1.491,69 1.368,70 36.038,71 9.961,72 169.071,73 13.127,74 1.757,75 1.277,76 39.605,77 9.022,78 224.695,79 11.765,80 1.504,81 1.171,82 37.829,83 8.977,84 169.086,85 10.559,86 1.493,87 1.047,88 37.019,89 8.078,90 213.172,91 9.376,92 1.603,93 0.953,94 28.867,95 6.82,96 207.336,97 8.417,98 0.931,99 0.902,100 25.404,101 6.539,102 132.036,103 9.024,104 37,105 49,106 0.319,107 0.668,108 0.816,109 0.864,110 0.87,111 0.87,112 3.44,113 0.985,114 -1.8,115 -1.86,116 -1.88,119 30.8,121 4,122 1,125 1,127 3,128 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 5,159 7,160 1,162 1,163 5,165 1,166 5,168 3,169 2,170 1,171 4,172 1,173 2,177 6,178 5,180 2,181 4,183 2,187 3,188 6,190 4,197 1,198 6,200 1,201 5,202 1,211 5,212 1,215 4,216 2,219 1,224 2,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 4,240 3,246 1476,247 19.706,248 19.706,249 19.706,250 19.706,251 19.706,252 18.061,253 20.292,254 11.19,255 20.204,256 16.217,257 16.217,258 16.217,259 16.217,260 16.217,261 13.588,262 23.645,263 5.252,264 17.117,265 3.794,266 1.709,267 0.822,268 0.538,269 0.5,270 0.5,271 4.126,275 1,276 771,277 4.062,280 254.659,281 86.874,282 131.124,284 1.844,285 63.745,286 0.75,287 0.83,288 0.83,289 0.9,290 1,291 0.67,292 0.5,293 0.78,294 70,295 355,296 4.699,297 4.476,298 6.924,299 4.24,300 3.303,301 4.581,302 1.886,303 11.611,304 3.202,305 4.641,306 3.667,307 6.753,308 4.202,309 3.224,310 4.484,311 1.579,312 11.074,313 3.04,314 4.14,315 3.581,316 6.528,317 3.936,318 2.996,319 3.324,320 1.041,321 10.113,322 2.807,323 3.894,324 3.128,325 5.975,326 3.722,327 2.713,328 3.051,330 8.402,331 2.732,332 3.661,333 2.595,334 5.89,335 3.313,336 2.388,337 2.92,339 7.929,340 2.203,341 3.058,342 2.25,343 5.236,344 2.831,345 1.904,346 2.324,347 5.872,348 1.758,349 3.031,350 2.223,351 4.787,352 2.701,353 1.688,354 2.112,355 4.717,356 1.698,357 2.897,358 1.969,359 4.301,360 2.483,361 1.589,362 1.884,363 4.037,364 1.415,365 2.732,366 1.549,367 4.143,368 2.444,369 1.542,370 1.761,371 3.671,372 1.386,373 2.413,374 1.469,375 4.068,376 1.945,377 1.04,378 1.386,379 2.926,380 0.937,381 2.101,382 1.239,383 3.58,384 1.802,385 0.819,386 0.996,387 1.977,388 0.797,389 1.895,390 1.127,391 3.305,392 1.664,393 0.765,394 0.842,395 1.824,396 0.686,397 1.771,398 0.898,399 3.195,400 1.618,401 0.665,402 0.712,403 1.598,404 0.618,405 1.618,406 0.744,407 3,408 1.545,409 0.618,410 0.618,411 1.372,412 0.579,413 1.1,414 0.618,415 2.835,416 0.821,417 -0.035,418 -0.037,419 -0.082,420 -0.029,421 13.567,422 0.452,423 0.992,424 0.033,425 34.5,426 1.15,427 13,428 0.433,429 21.5,430 0.717,431 28.305,432 0.943,433 35.633,434 0.685,435 29.328,436 0.978,437 6.285,438 0.21,439 7.98,440 0.266,441 0.152,442 0.061,443 0.361,447 0.83,448 1.72,449 0.77,450 1.481,451 0.824,452 1.022,453 0.728,454 1.076,455 0.811,456 1.028,457 0.597,458 1.023,459 0.902,460 1.198,461 0.923,462 1.136,463 0.844,464 1.083,465 1.127,466 0.862,467 1.006,468 0.876,469 1.104,470 0.859,471 1.216,472 0.969,473 1.338,474 1.165,475 1.237,476 0.977,477 1.47,478 1.099,479 1.442,480 1.341,481 1.542,482 1.035,483 1.411,484 0.763,485 1.189,486 0.811,487 1.515,488 1.031,489 0.965,490 1.165,491 0.965,492 1.168,493 0.986,494 1.095,495 7,496 0.231,497 4.667,498 2.951,499 2.083,500 1.118,501 0.902,502 0.489,503 0.349,504 0.289,505 12200,506 40411,507 2.04,508 42.3,509 8,510 5,511 1,512 2,513 5,514 1,518 1.727,519 1.865,520 3.52,521 2.617,524 99.154,525 1.907,526 3.991,527 4.878,528 5.162,529 5.2,530 5.2,531 2.949,532 4.574,533 4.88,534 3.72,535 1618.34,536 8.503,537 22601.9,539 296.423,540 1.679,541 4.809,542 0.212,543 0.009,544 0.095,545 0.063,546 0.046,547 0.027,548 0.022,549 0.015,550 0.012,551 0.01,552 0.512,553 0.17,554 0.88,555 0.628,556 154.751,557 -0.096,558 -0.324,559 0.182,560 -0.167,561 -0.163,562 0.023,563 0.183,564 0.106,565 0.004,567 0.158,568 -0.049,569 0.069,570 -0.205,571 0.034,572 -0.126,573 0.018,574 -0.081,575 -0.015,576 0.074,577 0.045,578 0.085,579 0.005,580 0.083,581 -0.083,582 0.048,583 -0.095,584 0.008,585 -0.117,586 -0.003,587 -0.174,588 -0.113,589 -0.215,590 -0.182,591 -0.129,592 -0.088,593 -0.107,594 0.152,595 -0.228,596 0.071,597 -0.098,598 -0.148,599 -0.022,600 -0.19,601 0.039,602 -0.137,603 0.019,604 -0.08,605 5.303,606 5.065,607 0.633,608 28.76,609 1.039,610 1.148,611 0.573,612 0.329,613 0.634,614 3.526,615 3.912,616 4.19,617 4.454,618 4.575,619 4.7,620 4.812,621 4.949,622 4.934,623 4.963,624 7.103,625 0.626,626 442.51,627 3.526,628 5.106,629 5.974,630 6.88,631 7.765,632 8.674,633 9.567,634 10.478,635 11.376,636 12.288,637 11.5,640 1,643 1,644 1,646 3,650 2,651 2,652 3,653 1,654 1,655 10,659 1,666 52,667 13,669 33,671 55,672 16,673 5,677 4,678 5,683 7,684 1,686 7,688 6,689 10,690 1,691 3,693 1,694 3,697 1,698 1,700 22,701 12,702 5,703 14,704 1,706 1,707 6,711 0.75,712 7,714 2,715 1,717 1,721 3,722 1,730 2,731 1,732 3,733 1,739 30,740 1,742 1,743 2,744 5,745 1,746 2,747 5,754 13.5,755 2,757 3,758 2,761 16.083,762 8.617,763 6.389,764 2.965,765 2.111,766 1.276,767 0.911,768 5.939,769 9.766,770 3.738,771 4.347,772 4.811,773 5.365,774 5.746,775 6.078,776 6.42,777 6.769,778 6.729,779 6.884,780 0.875,781 47,782 11.718,783 5.762,784 8.275,785 20.561,786 17.716,787 2.775,788 83.25,789 200.109,790 50.371,791 101.558,793 174.37,795 7.511,796 42.86,797 374.479,798 101.558,800 31.136,801 125.775,802 177.941,803 12.662,804 14.099,805 164.795,807 200.109,808 144.418,809 174.37,810 7.511,812 200.109,813 69.458,814 104.912,815 54.131,816 39.93,817 57.868,819 200.109,820 275.928,821 50.371,823 7.511,824 200.109,825 25.623,826 19.136,827 16.405,828 257.624,829 200.109,830 275.928,831 50.371,833 0.601,834 0.354,835 0.185,836 0.089,837 25,838 12,839 0.109,840 6,841 1,842 1.105,843 4.075,844 271.221,845 0.105,846 19,847 141.207,848 1,849 21.365,850 8.339,851 4.305,852 0.566,853 274.029,854 2.534,855 11.939,856 0.135,857 1.359,858 134.669,859 526.407,860 41,862 -4.387,863 36.14,866 -0.611,867 54.047,868 59.697,869 0.335,870 0.7,871 0.856,872 0.906,873 0.912,874 0.912,875 5.034,876 1.589,877 6.019,878 4.717,879 4.595,880 5.034,881 2.631,882 6.905,883 4.49,884 6.265,885 1.542,886 7.637,887 4.037,888 4.443,889 5.207,890 1.593,891 8.091,892 4.327,893 7.623,894 1.04,895 9.36,896 3.671,897 6.312,898 7.323,899 3.472,900 11.135,901 6.122,902 9.021,903 0.819,904 11.142,905 2.926,906 6.957,907 8.32,908 2.98,909 13.084,910 6.752,911 10.454,912 0.765,913 12.96,914 1.977,915 8.351,916 10.019,917 4.462,918 15.702,919 8.084,920 11.91,921 0.665,922 14.802,923 1.824,924 9.309,925 11.327,926 4.33,927 17.928,928 9.015,929 13.384,930 0.618,931 16.659,932 1.598,933 10.547,934 12.901,935 5.54,936 20.415,937 10.202,938 3.303,939 -0.035,940 18.527,941 1.372,942 11.628,943 14.33,944 5.648,945 22.752,946 11.249,947 3.224,948 11.611,949 20.404,950 -0.082,951 12.816,952 15.864,953 6.675,954 25.195,955 12.39,956 2.996,957 11.074,958 22.288,959 4.581,960 13.948,961 17.341,962 6.944,963 27.58,964 13.484,965 2.713,966 10.113,967 24.177,968 4.484,969 15.12,970 18.861,971 7.847,972 30.011,973 14.614,974 2.388,975 8.402,976 26.07,977 3.324,978 16.274,979 20.359,980 8.228,981 32.418,982 15.729,983 1.904,984 7.929,985 27.967,986 3.051,987 17.444,988 21.874,989 9.047,990 34.846,991 16.858,992 1.688,993 5.872,994 29.867,995 2.92,996 18.608,997 23.38,998 9.506,999 37.265,1000 17.983,1001 11599,1002 21319,1003 21.383,1004 32.955,1005 50.315,1006 52.802,1007 52.221,1008 50.504,1009 50.508,1010 61.988,1011 9.012,1012 154.246,1013 47.716,1014 5.699,1015 6.476,1016 6.521,1017 5.357,1018 5.303,1019 7.581,1020 3.465,1021 19.32,1022 5.145,1023 17.201,1024 1.525,1025 1.6,1026 1.582,1027 1.53,1028 1.531,1029 1.878,1030 0.273,1031 4.674,1032 1.446,1033 4.109,1034 4.158,1035 4.709,1036 3.917,1037 7.725,1038 3.946,1039 3.979,1040 3.98,1041 4.08,1042 3.855,1043 7.426,1044 3.807,1045 3.835,1046 3.848,1047 3.751,1048 3.72,1049 6.999,1050 3.669,1051 3.75,1052 3.741,1053 3.711,1054 3.578,1055 6.494,1056 3.564,1057 3.34,1058 3.421,1059 3.266,1060 3.087,1061 6.4,1062 3.119,1063 3.204,1064 3.236,1065 3.132,1066 2.954,1067 5.271,1068 2.976,1069 3.077,1070 3.111,1071 2.967,1072 2.85,1073 4.856,1074 2.85,1075 2.989,1076 3.097,1077 2.878,1078 2.679,1079 4.575,1080 2.716,1081 0.142,1082 0.136,1083 0.21,1084 0.128,1085 0.1,1086 4.699,1087 0.139,1088 4.476,1089 0.057,1090 6.924,1091 0.352,1092 4.24,1093 0.097,1094 3.303,1095 4.581,1096 1.886,1097 11.611,1098 3.202,1099 1.797,1100 1.751,1101 1.86,1102 2.008,1103 1.232,1104 1.965,1105 1.72,1106 1.735,1107 1.857,1108 1.922,1109 1.211,1110 1.934,1111 1.608,1112 1.574,1113 1.849,1114 1.817,1115 1.171,1116 1.806,1117 1.577,1118 1.507,1119 1.777,1120 1.782,1121 0.997,1122 1.793,1123 1.53,1124 1.505,1125 1.65,1126 1.751,1127 0.757,1128 1.759,1129 1.4,1130 1.398,1131 1.354,1132 1.621,1133 0.553,1134 1.641,1135 1.113,1136 1.055,1137 1.213,1138 1.411,1139 0.398,1140 1.39,1141 0.829,1142 0.766,1143 1.146,1144 1.225,1145 0.148,1146 1.213,1147 4.205,1149 5.572,1150 3.434,1151 7.111,1152 5.778,1153 8.727,1154 7.861,1155 10.387,1161 5.737,1162 20.65,1163 2.407,1164 1.883,1165 10.406,1166 -5.509,1170 32.534,1171 99.154,1172 207.555,1173 253.668,1174 268.423,1175 270.423,1176 270.423,1177 84.991,1178 7.655,1179 191.78,1180 200.16,1181 21,1182 12.805,1183 3.807,1184 3.17,1185 47.182,1186 128,1187 118,1188 0.179,1189 199.908,1190 346.96,1191 479.535,1192 22695,1194 21.466,1195 0.716,1196 0.553,1197 21.716,1198 16.604,1199 14.266,1200 0.432,1201 0.328,1202 9.306,1203 12.619,1204 9.145,1205 7.442,1206 15.119,1207 10.83,1208 13.784,1209 0.281,1210 0.177,1211 15.093,1212 8.664,1213 11.505,1214 0.177,1215 0.096,1216 12.353,1217 6.235,1218 9.473,1219 0.111,1220 0.053,1221 10.331,1222 4.519,1223 6.636,1224 0.069,1225 0.028,1226 7.377,1227 2.658,1228 0.283,1229 101.101,1230 0.216,1231 28.433,1232 0.483,1233 164,1234 614.063,1235 228.226,1236 585.004,1237 772.37,1238 538,1239 196,1240 522.952,1241 272.435,1242 553.727,1243 820.84,1244 518,1245 4.303}
{0 CHEMBL1162048,1 1.878,2 12.516,3 -0.741,4 0.549,5 105.792,6 8.301,7 0.294,8 4.158,9 4.256,10 3.926,11 3.56,12 5.271,13 3.585,14 4.76,15 4.901,16 4.245,17 3.988,18 6.102,19 3.991,20 5.054,21 5.245,22 4.318,23 4.114,24 6.278,25 4.082,26 5.096,27 5.304,28 4.299,29 4.058,30 6.439,31 4.026,32 4.978,33 5.174,34 4.26,35 3.968,36 6.269,37 3.934,38 4.893,39 5.044,40 4.209,41 3.862,42 6.363,43 3.879,44 4.832,45 4.996,46 4.03,47 3.762,48 6.344,49 3.761,50 4.689,51 4.882,52 3.888,53 3.686,54 6.023,55 3.653,56 0.319,57 0.846,58 13.996,59 4.578,60 48.673,61 5.715,62 1.063,63 1.302,64 24.147,65 8.424,66 119.93,67 10.659,68 1.481,69 1.488,70 39.033,71 10.923,72 167.237,73 14.682,74 1.775,75 1.417,76 43.573,77 10.355,78 227.068,79 13.98,80 1.567,81 1.26,82 42.641,83 9.799,84 175.396,85 12.284,86 1.529,87 1.119,88 39.513,89 8.566,90 218.111,91 9.997,92 1.626,93 1.019,94 33.088,95 7.606,96 211.872,97 9.296,98 1.049,99 0.95,100 28.138,101 6.891,102 149.09,103 9.415,104 37,105 50,106 0.311,107 0.646,108 0.792,109 0.85,110 0.872,111 0.872,112 3.472,113 1,114 -2.05,115 -2.1,116 -2.08,119 30.9,121 5,122 1,125 1,127 3,128 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 6,159 7,160 1,162 1,163 5,165 1,166 6,168 3,169 2,170 1,171 4,172 1,173 2,175 3,177 6,178 5,180 2,181 4,183 2,187 3,188 7,190 4,192 1,197 1,198 6,200 1,201 5,202 1,211 5,212 4,215 4,216 2,219 1,224 2,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 4,240 3,246 1623,247 20.413,248 20.413,249 20.413,250 20.413,251 20.413,252 18.768,253 20.292,254 11.69,255 20.911,256 16.717,257 16.717,258 16.717,259 16.717,260 16.717,261 14.088,262 23.645,263 5.502,264 17.617,265 3.903,266 1.879,267 0.995,268 0.646,269 0.509,270 0.509,271 4.16,275 1,276 842,277 4.062,280 163.108,281 209.16,282 136.586,284 1.919,285 64.66,286 0.75,287 0.67,288 0.83,289 0.9,290 1,291 0.67,292 0.5,293 0.76,294 72,295 388,296 4.699,297 4.476,298 6.924,299 4.24,300 3.303,301 4.581,302 1.886,303 11.611,304 3.202,305 4.641,306 3.666,307 6.753,308 4.201,309 3.224,310 4.484,311 1.579,312 11.074,313 3.04,314 4.14,315 3.581,316 6.528,317 3.936,318 2.996,319 3.324,320 1.041,321 10.113,322 2.807,323 3.885,324 3.128,325 5.971,326 3.71,327 2.7,328 3.044,330 8.389,331 2.72,332 3.661,333 2.595,334 5.89,335 3.313,336 2.388,337 2.92,339 7.929,340 2.203,341 3.058,342 2.248,343 5.236,344 2.833,345 1.904,346 2.324,347 5.872,348 1.774,349 3.031,350 2.208,351 4.787,352 2.754,353 1.745,354 2.112,355 4.717,356 1.737,357 2.911,358 1.969,359 4.288,360 2.483,361 1.59,362 1.902,363 4.033,364 1.415,365 2.733,366 1.549,367 4.143,368 2.444,369 1.542,370 1.761,371 3.671,372 1.386,373 2.413,374 1.469,375 4.068,376 2.061,377 1.056,378 1.386,379 2.926,380 1.055,381 2.184,382 1.382,383 3.624,384 2,385 1.039,386 1.128,387 2.533,388 1,389 2.101,390 1.239,391 3.355,392 1.945,393 1,394 1,395 2.136,396 0.937,397 2,398 1,399 3.301,400 1.665,401 0.77,402 0.995,403 1.829,404 0.687,405 1.772,406 0.898,407 3.247,408 1.552,409 0.688,410 0.725,411 1.671,412 0.588,413 1.1,414 0.749,415 2.9,416 0.823,417 -0.034,418 -0.035,419 -0.079,420 -0.028,421 14.067,422 0.454,423 0.992,424 0.032,425 35,426 1.129,427 13,428 0.419,429 22,430 0.71,431 30.405,432 0.981,433 36.933,434 0.672,435 29.859,436 0.963,437 6.285,438 0.203,439 8.48,440 0.274,441 0.147,442 0.059,443 0.348,447 0.82,448 1.712,449 0.779,450 1.481,451 0.816,452 1.041,453 0.716,454 1.095,455 0.819,456 1.051,457 0.589,458 1.046,459 0.867,460 1.169,461 0.896,462 1.111,463 0.815,464 1.056,465 1.051,466 0.909,467 0.997,468 0.936,469 1.032,470 0.938,471 1.157,472 0.943,473 1.228,474 1.095,475 1.197,476 0.905,477 1.546,478 1.078,479 1.495,480 1.32,481 1.646,482 1.027,483 1.465,484 0.834,485 1.306,486 0.961,487 1.587,488 1.034,489 1.191,490 1.097,491 1.042,492 1.092,493 1.241,494 1.062,495 7,496 0.243,497 4.667,498 3.111,499 2.024,500 1.24,501 0.88,502 0.547,503 0.364,504 0.293,505 13420,506 42709,507 2.038,508 43.6,509 10,510 5,511 1,512 2,513 5,514 1,518 1.735,519 1.869,520 3.59,521 2.573,524 103.288,525 1.878,526 3.902,527 4.786,528 5.136,529 5.272,530 5.272,531 3.039,532 4.632,533 4.927,534 3.777,535 1756.12,536 8.596,537 25230.4,539 317.975,540 1.663,541 4.859,542 0.206,543 0.009,544 0.093,545 0.062,546 0.044,547 0.029,548 0.021,549 0.016,550 0.012,551 0.01,552 0.502,553 0.17,554 0.88,555 0.618,556 161.969,557 -0.082,558 -0.309,559 0.183,560 -0.16,561 -0.154,562 0.021,563 0.197,564 0.092,565 0.009,566 -0.013,567 0.165,568 -0.058,569 0.087,570 -0.167,571 0.054,572 -0.094,573 0.032,574 -0.047,575 0.02,576 0.033,577 0.032,578 0.029,579 0.032,580 0.021,581 -0.034,582 0.036,583 0.003,584 0.038,585 -0.084,586 0.074,587 -0.196,588 -0.073,589 -0.218,590 -0.138,591 -0.147,592 -0.086,593 -0.102,594 0.108,595 -0.239,596 0.008,597 -0.089,598 -0.14,599 -0.12,600 -0.142,601 -0.03,602 -0.084,603 -0.064,604 -0.079,605 5.315,606 5.162,607 0.645,608 31.099,609 1.035,610 1.147,611 0.816,612 0.667,613 0.631,614 3.555,615 3.932,616 4.205,617 4.466,618 4.635,619 4.718,620 4.844,621 4.963,622 4.977,623 4.977,624 7.349,625 0.619,626 456.54,627 3.555,628 5.13,629 5.994,630 6.897,631 7.779,632 8.685,633 9.576,634 10.485,635 11.381,636 12.292,637 10.9,640 1,643 1,644 1,646 3,650 2,651 2,652 3,653 1,654 1,655 10,659 1,666 55,667 13,669 34,671 58,672 17,673 5,677 4,678 5,683 8,684 1,686 8,688 6,689 11,690 1,691 3,693 1,694 3,697 1,698 1,700 24,701 12,702 5,703 14,704 1,706 1,707 6,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 31,740 1,742 1,743 2,744 6,745 1,746 2,747 5,754 12.7,755 2,757 3,758 2,761 16.583,762 9.117,763 6.639,764 3.215,765 2.096,766 1.271,767 0.91,768 6.438,769 9.835,770 3.761,771 4.36,772 4.819,773 5.37,774 5.765,775 6.083,776 6.43,777 6.771,778 6.74,779 6.886,780 1,781 50,782 12.11,783 5.918,784 8.234,785 21.377,786 18.383,787 2.734,788 84.75,789 223.651,790 52.906,791 101.558,793 174.37,795 7.511,796 45.394,797 398.021,798 101.558,800 33.67,801 125.775,802 177.941,803 12.662,804 14.099,805 188.338,807 223.651,808 146.952,809 174.37,810 7.511,812 223.651,813 69.458,814 104.912,815 56.666,816 39.93,817 57.868,819 223.651,820 275.928,821 52.906,823 7.511,824 223.651,825 28.157,826 19.136,827 16.405,828 257.624,829 223.651,830 275.928,831 52.906,833 0.598,834 0.351,835 0.184,836 0.095,837 25,838 12,839 0.103,840 6,841 1,842 1.1,843 4.159,844 282.157,845 0.1,846 20,847 147.58,848 1,849 22.328,850 8.938,851 4.67,852 0.568,853 274.029,854 2.538,855 11.957,856 0.136,857 1.362,858 134.669,859 552.484,860 42,862 -4.399,863 36.464,866 -0.604,867 56.931,868 63.112,869 0.325,870 0.675,871 0.828,872 0.888,873 0.912,874 0.912,875 5.053,876 1.59,877 6.033,878 4.717,879 4.615,880 5.047,881 2.631,882 6.913,883 4.512,884 6.278,885 1.542,886 7.646,887 4.033,888 4.443,889 5.207,890 1.593,891 8.091,892 4.327,893 7.632,894 1.056,895 9.366,896 3.671,897 6.323,898 7.327,899 3.472,900 11.136,901 6.135,902 9.026,903 1.039,904 11.145,905 2.926,906 6.948,907 8.318,908 2.98,909 13.082,910 6.74,911 10.456,912 1,913 12.962,914 2.533,915 8.355,916 10.02,917 4.462,918 15.702,919 8.09,920 11.911,921 0.77,922 14.802,923 2.136,924 9.301,925 11.326,926 4.33,927 17.927,928 9.005,929 13.383,930 0.688,931 16.659,932 1.829,933 10.547,934 12.901,935 5.54,936 20.414,937 10.203,938 3.303,939 -0.034,940 18.527,941 1.671,942 11.623,943 14.33,944 5.648,945 22.751,946 11.241,947 3.224,948 11.611,949 20.404,950 -0.079,951 12.814,952 15.864,953 6.675,954 25.195,955 12.388,956 2.996,957 11.074,958 22.288,959 4.581,960 13.944,961 17.341,962 6.944,963 27.58,964 13.477,965 2.7,966 10.113,967 24.176,968 4.484,969 15.118,970 18.861,971 7.847,972 30.011,973 14.61,974 2.388,975 8.389,976 26.07,977 3.324,978 16.271,979 20.358,980 8.228,981 32.418,982 15.723,983 1.904,984 7.929,985 27.966,986 3.044,987 17.441,988 21.874,989 9.047,990 34.846,991 16.853,992 1.745,993 5.872,994 29.866,995 2.92,996 18.605,997 23.38,998 9.506,999 37.265,1000 17.978,1001 12767,1002 23026,1003 22.076,1004 34.716,1005 51.873,1006 54.406,1007 53.88,1008 51.838,1009 51.889,1010 63.373,1011 9.012,1012 157.006,1013 49.099,1014 5.699,1015 6.476,1016 6.726,1017 5.356,1018 5.303,1019 7.581,1020 3.465,1021 19.32,1022 5.202,1023 17.579,1024 1.526,1025 1.6,1026 1.585,1027 1.525,1028 1.526,1029 1.864,1030 0.265,1031 4.618,1032 1.444,1033 4.109,1034 4.158,1035 4.709,1036 3.917,1037 7.725,1038 3.946,1039 3.976,1040 3.977,1041 4.08,1042 3.852,1043 7.426,1044 3.802,1045 3.835,1046 3.85,1047 3.744,1048 3.722,1049 6.999,1050 3.67,1051 3.753,1052 3.748,1053 3.711,1054 3.578,1055 6.494,1056 3.567,1057 3.347,1058 3.424,1059 3.268,1060 3.112,1061 6.4,1062 3.132,1063 3.286,1064 3.317,1065 3.213,1066 3.07,1067 5.271,1068 3.081,1069 3.111,1070 3.206,1071 2.971,1072 2.941,1073 4.856,1074 2.91,1075 3.097,1076 3.148,1077 2.878,1078 2.861,1079 4.575,1080 2.866,1081 0.138,1082 0.132,1083 0.204,1084 0.125,1085 0.097,1086 4.699,1087 0.135,1088 4.476,1089 0.055,1090 6.924,1091 0.341,1092 4.24,1093 0.094,1094 3.303,1095 4.581,1096 1.886,1097 11.611,1098 3.202,1099 1.889,1100 1.846,1101 2.097,1102 2.038,1103 1.484,1104 2.062,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.172,1110 1.965,1111 1.648,1112 1.675,1113 1.777,1114 1.866,1115 0.998,1116 1.882,1117 1.557,1118 1.532,1119 1.651,1120 1.805,1121 0.85,1122 1.777,1123 1.451,1124 1.421,1125 1.542,1126 1.698,1127 0.825,1128 1.69,1129 1.208,1130 1.178,1131 1.513,1132 1.459,1133 0.755,1134 1.454,1135 1.153,1136 1.064,1137 1.351,1138 1.376,1139 0.533,1140 1.429,1141 1.101,1142 1.048,1143 1.163,1144 1.37,1145 0.392,1146 1.371,1147 4.234,1149 5.595,1150 3.045,1151 7.136,1152 5.476,1153 8.756,1154 7.627,1155 10.417,1161 5.746,1162 20.708,1163 3.434,1164 1.91,1165 10.454,1166 -5.524,1170 34.06,1171 103.288,1172 214.614,1173 263.246,1174 282.465,1175 289.975,1176 289.975,1177 89.74,1178 7.739,1179 191.78,1180 200.16,1181 22,1182 12.81,1183 3.807,1184 3.17,1185 49.593,1186 137,1187 137,1188 0.175,1189 209.5,1190 364.26,1191 502.94,1192 25745,1194 22.173,1195 0.715,1196 0.558,1197 22.423,1198 17.311,1199 14.766,1200 0.434,1201 0.333,1202 9.806,1203 13.119,1204 9.635,1205 7.859,1206 15.619,1207 11.33,1208 14.137,1209 0.283,1210 0.18,1211 15.447,1212 9.017,1213 11.755,1214 0.178,1215 0.098,1216 12.603,1217 6.485,1218 9.65,1219 0.112,1220 0.055,1221 10.508,1222 4.696,1223 7.248,1224 0.071,1225 0.032,1226 7.989,1227 3.271,1228 0.278,1229 104.101,1230 0.213,1231 29.278,1232 0.47,1233 168,1234 618.063,1235 232.226,1236 589.165,1237 778.13,1238 542,1239 200,1240 526.952,1241 276.435,1242 557.888,1243 826.6,1244 522,1245 4.762}
{0 CHEMBL1162049,1 2.007,2 10.154,3 -2.868,4 8.223,5 84.59,6 9.248,7 0.357,8 3.92,9 4.005,10 3.785,11 3.263,12 5.15,13 3.33,14 4.479,15 4.599,16 4.095,17 3.639,18 6.002,19 3.706,20 4.693,21 4.829,22 4.145,23 3.739,24 6.118,25 3.781,26 4.753,27 4.917,28 4.099,29 3.735,30 6.261,31 3.762,32 4.705,33 4.883,34 3.979,35 3.667,36 6.069,37 3.671,38 4.564,39 4.721,40 3.952,41 3.572,42 6.061,43 3.601,44 4.57,45 4.755,46 3.828,47 3.476,48 6.129,49 3.482,50 4.375,51 4.558,52 3.68,53 3.327,54 5.849,55 3.326,56 0.368,57 0.639,58 9.43,59 3.047,60 56.34,61 3.375,62 1.051,63 0.923,64 16.052,65 5.381,66 114.613,67 6.096,68 1.44,69 1.002,70 24.118,71 6.608,72 170.216,73 7.426,74 1.545,75 0.98,76 29.594,77 7.038,78 198.862,79 8.369,80 1.532,81 0.896,82 27.014,83 6.478,84 172.878,85 7.971,86 1.16,87 0.815,88 23.526,89 5.798,90 163.648,91 7.242,92 1.37,93 0.741,94 23.138,95 5.459,96 177.203,97 7.039,98 0.997,99 0.64,100 19.911,101 4.489,102 136.679,103 5.92,104 55,105 42,106 0.352,107 0.734,108 0.864,109 0.893,110 0.901,111 0.901,112 3.304,113 0.935,114 -0.76,115 -0.88,116 -0.99,119 28.6,120 1,125 1,127 3,128 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,159 7,160 1,162 1,163 5,165 1,168 3,170 1,171 4,172 1,177 6,178 3,180 2,181 4,187 3,190 4,197 1,200 1,201 5,202 1,211 5,212 1,215 4,216 2,219 1,227 2,228 1,229 1,231 1,234 6,235 1,237 1,238 4,240 1,246 970,247 16.637,248 16.637,249 16.637,250 16.637,251 16.637,252 14.915,253 17.867,254 9.381,255 17.124,256 13.756,257 13.756,258 13.756,259 13.756,260 13.756,261 11.079,262 20.725,263 4.392,264 14.649,265 3.385,266 1.209,267 0.465,268 0.304,269 0.256,270 0.256,271 3.974,275 1,276 554,277 4,280 130.141,281 71.597,282 108.141,284 1.692,285 57.546,286 0.75,287 0.83,288 0.83,289 0.9,291 0.67,292 0.5,293 0.64,294 62,295 264,296 4.694,297 4.473,298 6.924,299 4.233,300 3.302,301 4.581,302 1.886,303 11.611,304 3.181,305 4.641,306 3.584,307 6.735,308 4.189,309 3.206,310 4.483,311 1.579,312 11.009,313 3.04,314 4.14,315 3.472,316 6.527,317 3.935,318 2.995,319 3.324,320 1.041,321 10.112,322 2.804,323 3.662,324 3.128,325 5.892,326 3.315,327 2.389,328 2.92,330 7.931,331 2.205,332 3.44,333 2.595,334 5.237,335 3.054,336 2.029,337 2.597,339 5.877,340 2.065,341 3.058,342 2.245,343 4.79,344 2.822,345 1.889,346 2.324,347 4.846,348 1.747,349 3.03,350 1.969,351 4.576,352 2.483,353 1.59,354 2.111,355 4.684,356 1.415,357 2.733,358 1.549,359 4.143,360 2.444,361 1.542,362 1.762,363 3.671,364 1.386,365 2.413,366 1.469,367 4.068,368 1.945,369 1.04,370 1.386,371 2.926,372 0.937,373 2.101,374 1.239,375 3.492,376 1.666,377 0.772,378 0.996,379 1.831,380 0.688,381 1.773,382 0.9,383 3.303,384 1.559,385 0.699,386 0.731,387 1.708,388 0.595,389 1.1,390 0.769,391 2.882,392 0.827,393 -0.031,394 -0.032,395 -0.072,396 -0.026,397 1,398 0.546,399 2.657,400 0.619,401 -0.313,402 -0.391,403 -0.72,404 -0.283,405 1,406 0.232,407 2.515,408 0.568,409 -0.395,410 -0.467,411 -1.103,412 -0.387,413 0.978,414 -0.161,415 2.367,416 0.184,417 -0.733,418 -0.85,419 -2,420 -0.666,421 11.567,422 0.445,423 0.979,424 0.038,425 32,426 1.231,427 13,428 0.5,429 19,430 0.731,431 21.316,432 0.82,433 31.033,434 0.739,435 27.193,436 1.046,437 6.37,438 0.245,439 5.824,440 0.224,441 0.222,442 0.072,443 0.38,447 0.9,448 1.864,449 0.763,450 1.565,451 0.89,452 0.998,453 0.824,454 1.022,455 0.778,456 0.919,457 0.654,458 0.877,459 1.139,460 1.163,461 1.063,462 1.095,463 1.049,464 1.057,465 1.046,466 0.953,467 1.151,468 1.089,469 0.903,470 1.023,471 1.127,472 0.846,473 1.033,474 0.855,475 1.089,476 0.971,477 0.959,478 1.163,479 1.084,480 1.276,481 0.957,482 1.135,483 0.976,484 0.781,485 0.995,486 0.831,487 1.022,488 1.002,489 1.125,490 1.151,491 1.07,492 1.136,493 1.108,494 1.097,495 7,496 0.161,497 4,498 2.924,499 1.593,500 0.92,501 0.817,502 0.479,503 0.331,504 0.2,505 7288,506 31081,507 1.961,508 38.1,510 5,511 1,512 2,513 5,514 3,518 1.691,519 1.763,520 3.306,521 2.824,524 84.297,525 2.007,526 4.183,527 4.928,528 5.089,529 5.136,530 5.136,531 2.757,532 4.056,533 4.671,534 3.499,535 1137.32,536 8.098,537 14033.7,539 226.477,540 1.75,541 4.579,542 0.25,543 0.011,544 0.095,545 0.071,546 0.041,547 0.028,548 0.025,549 0.017,550 0.014,551 0.011,552 0.563,553 0.17,554 0.88,555 1.594,556 126.672,557 -0.164,558 -0.464,559 0.178,560 -0.241,561 -0.226,562 0.004,563 0.119,564 0.133,565 0.027,566 0.066,567 0.133,568 0.039,569 -0.103,570 -0.127,571 -0.117,572 -0.068,573 -0.112,574 -0.109,575 -0.026,576 0.03,577 -0.123,578 -0.064,579 0.052,580 -0.052,581 -0.09,582 0.067,583 -0.06,584 0.086,585 -0.132,586 0.005,587 0.015,588 -0.149,589 -0.076,590 -0.217,591 0.018,592 -0.139,593 0.072,594 0.107,595 -0.034,596 0.052,597 0.045,598 -0.05,599 -0.136,600 -0.221,601 -0.017,602 -0.116,603 -0.059,604 -0.088,605 5.266,606 4.508,607 0.538,608 22.763,609 1.057,610 1.154,611 -0.468,612 0.219,613 0.635,614 3.367,615 3.761,616 4.007,617 4.29,618 4.419,619 4.564,620 4.71,621 4.844,622 4.828,623 4.812,624 6.157,625 0.642,626 388.41,627 3.367,628 4.949,629 5.808,630 6.723,631 7.603,632 8.522,633 9.414,634 10.334,635 11.233,636 12.153,637 14.3,640 1,643 1,644 1,646 3,650 2,651 2,652 3,653 1,654 1,655 10,659 1,666 42,667 13,669 28,671 44,672 12,673 5,677 3,678 4,681 1,683 3,686 3,688 6,689 6,691 3,693 1,694 3,697 1,700 16,701 12,702 5,703 14,704 1,706 1,707 6,711 0.667,712 7,714 2,715 1,717 1,721 2,722 1,730 2,731 1,732 2,733 1,735 1,739 26,740 1,742 1,743 2,744 1,745 1,746 2,747 4,754 16.7,755 2,757 3,758 2,761 14.75,762 7.283,763 5.528,764 2.049,765 2.195,766 1.303,767 0.889,768 5.115,769 9.433,770 3.611,771 4.252,772 4.699,773 5.292,774 5.68,775 6.031,776 6.394,777 6.748,778 6.712,779 6.863,780 0.857,781 41,782 10.102,783 4.934,784 8.497,785 17.136,786 14.179,787 2.997,788 77.917,789 129.482,790 49.058,791 101.558,793 174.37,795 7.511,796 41.547,797 303.852,798 101.558,799 8.825,800 20.997,801 125.775,802 177.941,803 12.662,804 14.099,805 94.169,807 129.482,808 143.105,809 174.37,810 7.511,812 129.482,813 69.458,814 104.912,815 52.818,816 39.93,817 57.868,819 129.482,820 275.928,821 49.058,823 7.511,824 129.482,825 15.484,826 27.961,827 16.405,828 257.624,829 129.482,830 275.928,831 49.058,833 0.603,834 0.34,835 0.181,836 0.085,837 21,838 11,839 0.114,840 5,841 1,842 1.143,843 3.617,844 220.071,845 0.143,846 14,847 120.211,848 1,849 18.907,850 7.034,851 3.808,852 0.548,853 274.029,854 2.502,855 11.835,856 0.128,857 1.337,858 134.669,859 454.468,860 36,862 -4.349,863 33.825,866 -0.835,867 44.396,868 48.452,869 0.372,870 0.776,871 0.914,872 0.944,873 0.953,874 0.953,875 4.902,876 1.542,877 5.872,878 4.684,879 4.443,880 4.938,881 2.631,882 6.77,883 4.319,884 6.159,885 1.04,886 7.499,887 3.671,888 4.369,889 5.173,890 1.593,891 7.999,892 4.244,893 7.529,894 0.772,895 9.231,896 2.926,897 6.176,898 7.271,899 3.472,900 11.032,901 5.953,902 8.937,903 0.699,904 11.02,905 1.831,906 6.858,907 8.288,908 2.98,909 13.007,910 6.624,911 10.377,912 -0.031,913 12.845,914 1.708,915 8.235,916 9.99,917 4.462,918 15.628,919 7.925,920 11.84,921 -0.313,922 14.693,923 -0.072,924 9.213,925 11.307,926 4.33,927 17.871,928 8.878,929 13.319,930 -0.395,931 16.557,932 -0.72,933 10.45,934 12.885,935 5.54,936 20.362,937 10.056,938 3.302,939 -0.733,940 18.432,941 -1.103,942 11.544,943 14.319,944 5.648,945 22.709,946 11.116,947 3.206,948 11.611,949 20.316,950 -2,951 12.735,952 15.855,953 6.675,954 25.155,955 12.256,956 2.995,957 11.009,958 22.206,959 4.581,960 13.875,961 17.334,962 6.944,963 27.545,964 13.358,965 2.389,966 10.112,967 24.101,968 4.483,969 15.051,970 18.856,971 7.847,972 29.977,973 14.489,974 2.029,975 7.931,976 26,977 3.324,978 16.21,979 20.354,980 8.228,981 32.386,982 15.609,983 1.889,984 5.877,985 27.902,986 2.92,987 17.383,988 21.87,989 9.047,990 34.814,991 16.739,992 1.59,993 4.846,994 29.806,995 2.597,996 18.55,997 23.376,998 9.506,999 37.234,1000 17.867,1001 7301,1002 15187,1003 17.512,1004 26.67,1005 43.084,1006 45.213,1007 45.376,1008 42.782,1009 42.908,1010 54.429,1011 9.012,1012 132.41,1013 40.128,1014 5.663,1015 6.473,1016 6.453,1017 5.349,1018 5.302,1019 7.581,1020 3.465,1021 19.32,1022 5.088,1023 17.166,1024 1.539,1025 1.615,1026 1.621,1027 1.528,1028 1.532,1029 1.944,1030 0.322,1031 4.729,1032 1.433,1033 4.107,1034 4.156,1035 4.709,1036 3.91,1037 7.725,1038 3.944,1039 3.947,1040 3.904,1041 4.079,1042 3.827,1043 7.428,1044 3.728,1045 3.766,1046 3.778,1047 3.711,1048 3.581,1049 6.999,1050 3.587,1051 3.428,1052 3.458,1053 3.366,1054 3.203,1055 6.494,1056 3.204,1057 3.33,1058 3.396,1059 3.264,1060 3.079,1061 6.4,1062 3.105,1063 3.099,1064 3.149,1065 2.971,1066 2.859,1067 5.271,1068 2.864,1069 2.989,1070 3.101,1071 2.878,1072 2.679,1073 4.856,1074 2.716,1075 2.769,1076 2.82,1077 2.613,1078 2.378,1079 4.575,1080 2.418,1081 0.168,1082 0.16,1083 0.247,1084 0.151,1085 0.118,1086 4.694,1087 0.164,1088 4.473,1089 0.067,1090 6.924,1091 0.415,1092 4.233,1093 0.114,1094 3.302,1095 4.581,1096 1.886,1097 11.611,1098 3.181,1099 1.797,1100 1.751,1101 1.849,1102 2.008,1103 1.172,1104 1.965,1105 1.675,1106 1.711,1107 1.778,1108 1.904,1109 0.998,1110 1.917,1111 1.573,1112 1.54,1113 1.717,1114 1.81,1115 0.773,1116 1.786,1117 1.482,1118 1.437,1119 1.649,1120 1.747,1121 0.742,1122 1.725,1123 1.271,1124 1.263,1125 1.351,1126 1.528,1127 0.49,1128 1.545,1129 1.101,1130 1.049,1131 1.15,1132 1.389,1133 0.373,1134 1.378,1135 0.818,1136 0.745,1137 1.104,1138 1.224,1139 0.141,1140 1.212,1141 0.788,1142 0.66,1143 1.029,1144 1.107,1146 1.095,1147 4.043,1149 5.416,1150 3.045,1151 6.959,1152 5.476,1153 8.582,1154 7.627,1155 10.25,1157 0.999,1161 5.692,1162 20.334,1163 -0.624,1164 1.604,1165 10.087,1166 -5.165,1170 26.953,1171 84.297,1172 175.683,1173 206.968,1174 213.722,1175 215.722,1176 215.722,1177 72.611,1178 7.238,1179 191.78,1180 200.16,1181 16,1182 12.666,1183 3.807,1184 3.17,1185 44.362,1186 96,1187 94,1188 0.232,1189 168.932,1190 290.12,1191 403.953,1192 12345,1194 19.06,1195 0.733,1196 0.546,1197 19.31,1198 14.198,1199 12.193,1200 0.435,1201 0.312,1202 7.201,1203 10.528,1204 7.015,1205 5.718,1206 13.047,1207 8.725,1208 12.156,1209 0.289,1210 0.164,1211 13.465,1212 6.874,1213 9.387,1214 0.174,1215 0.086,1216 10.278,1217 4.638,1218 8.013,1219 0.111,1220 0.045,1221 8.905,1222 3.239,1223 5.541,1224 0.068,1225 0.023,1226 6.019,1227 1.883,1228 0.36,1229 88.666,1230 0.239,1231 24.913,1232 0.645,1233 140,1234 590.063,1235 204.226,1236 560.668,1237 733.79,1238 514,1239 166,1240 490.952,1241 241.437,1242 521.576,1243 768.8,1244 486,1245 4}
{0 CHEMBL1162050,1 2.019,2 10.889,3 -2.224,4 4.948,5 86.213,6 9.405,7 0.345,8 3.952,9 4.03,10 3.823,11 3.259,12 5.204,13 3.346,14 4.51,15 4.622,16 4.127,17 3.633,18 6.057,19 3.714,20 4.683,21 4.809,22 4.192,23 3.736,24 6.115,25 3.797,26 4.793,27 4.948,28 4.164,29 3.74,30 6.357,31 3.782,32 4.694,33 4.871,34 4.051,35 3.706,36 6.047,37 3.704,38 4.666,39 4.816,40 3.992,41 3.585,42 6.184,43 3.64,44 4.556,45 4.714,46 3.869,47 3.473,48 6.15,49 3.499,50 4.419,51 4.602,52 3.759,53 3.334,54 5.902,55 3.353,56 0.421,57 0.63,58 9.222,59 3.014,60 58.938,61 3.27,62 1.226,63 0.908,64 16.655,65 5.317,66 123.64,67 5.812,68 1.432,69 0.989,70 23.206,71 6.499,72 161.169,73 7.388,74 1.843,75 0.982,76 26.931,77 6.504,78 222.576,79 7.77,80 1.409,81 0.917,82 29.112,83 7.077,84 149.455,85 8.731,86 1.536,87 0.806,88 26.799,89 5.81,90 207.717,91 6.867,92 1.426,93 0.729,94 20.789,95 5.184,96 173.899,97 6.325,98 1.127,99 0.63,100 20.876,101 4.536,102 147.436,103 6.215,104 56,105 43,106 0.352,107 0.741,108 0.868,109 0.896,110 0.904,111 0.904,112 3.34,113 0.914,114 -0.46,115 -0.59,116 -0.74,119 27.9,124 1,125 1,127 3,128 1,138 1,139 1,140 1,148 1,149 1,150 1,152 1,153 1,154 1,159 8,162 1,163 6,168 3,170 1,171 4,172 1,177 9,180 2,181 4,187 3,190 4,197 1,200 1,201 5,202 1,211 6,215 4,216 2,219 1,227 3,228 1,231 1,234 7,237 1,238 5,246 1063,247 17.508,248 17.508,249 17.508,250 17.508,251 17.508,252 15.837,253 18.783,254 9.86,255 18.199,256 14.167,257 14.167,258 14.167,259 14.167,260 14.167,261 11.486,262 21.064,263 4.545,264 15.255,265 3.408,266 1.181,267 0.454,268 0.297,269 0.25,270 0.25,271 4.01,275 1,276 617,277 4.123,280 137.835,281 75.775,282 114.474,284 1.687,285 59.464,286 0.75,287 0.83,288 0.83,289 0.6,290 0.5,291 0.67,292 0.5,293 0.67,294 65,295 294,296 4.695,297 4.475,298 6.924,299 4.234,300 3.302,301 4.581,302 2.172,303 11.611,304 3.177,305 4.641,306 3.596,307 6.738,308 4.189,309 3.209,310 4.483,311 1.579,312 11.025,313 3.04,314 4.14,315 3.574,316 6.528,317 3.935,318 2.995,319 3.324,320 1.041,321 10.112,322 2.804,323 3.662,324 3.128,325 5.892,326 3.315,327 2.39,328 2.92,329 0.262,330 7.931,331 2.204,332 3.541,333 2.595,334 5.238,335 3.124,336 2.174,337 2.712,339 5.89,340 2.032,341 3.058,342 2.245,343 4.918,344 2.823,345 1.896,346 2.324,347 5.589,348 1.747,349 3.03,350 1.969,351 4.782,352 2.483,353 1.59,354 2.111,355 4.71,356 1.415,357 2.733,358 1.549,359 4.144,360 2.444,361 1.542,362 1.762,363 3.671,364 1.386,365 2.413,366 1.472,367 4.068,368 1.945,369 1.04,370 1.386,371 2.926,372 0.937,373 2.101,374 1.459,375 3.575,376 1.667,377 0.773,378 0.996,379 1.833,380 0.689,381 1.774,382 1.239,383 3.304,384 1.567,385 0.71,386 0.738,387 1.729,388 0.603,389 1.502,390 0.898,391 3.005,392 1.227,393 0.367,394 0.391,395 0.519,396 0.311,397 1.1,398 0.747,399 2.712,400 0.817,401 -0.037,402 -0.04,403 -0.087,404 -0.032,405 1,406 0.448,407 2.549,408 0.594,409 -0.316,410 -0.402,411 -0.722,412 -0.285,413 1,414 0.112,415 2.367,416 0.542,417 -0.485,418 -0.623,419 -1.256,420 -0.489,421 11.9,422 0.441,423 0.941,424 0.035,425 33,426 1.222,427 13,428 0.481,429 20,430 0.741,431 21.86,432 0.81,433 32.5,434 0.756,435 29.061,436 1.076,437 6.741,438 0.25,439 5.991,440 0.222,441 0.216,442 0.07,443 0.37,447 0.941,448 1.935,449 0.756,450 1.626,451 0.9,452 1.016,453 0.868,454 0.896,455 0.808,456 0.814,457 0.665,458 0.811,459 1.025,460 1.314,461 0.993,462 1.24,463 0.948,464 1.108,465 1.017,466 0.832,467 1.019,468 0.843,469 1.027,470 0.985,471 0.859,472 1.036,473 1.128,474 1.194,475 0.824,476 1.046,477 1.274,478 1.019,479 1.201,480 1.107,481 1.308,482 1.052,483 0.997,484 0.846,485 1.075,486 0.9,487 1.092,488 1.108,489 0.992,490 1.173,491 0.977,492 1.149,493 1.053,494 1.06,495 7,496 0.161,497 4.222,498 2.924,499 1.753,500 0.92,501 0.817,502 0.479,503 0.356,504 0.244,505 8181,506 35966,507 1.963,508 37.2,510 8,511 1,512 2,513 5,518 1.701,519 1.77,520 3.392,521 2.804,524 86.8,525 2.019,526 4.245,527 4.973,528 5.13,529 5.176,530 5.176,531 2.908,532 4.31,533 4.725,534 3.572,535 1253.7,536 8.204,537 15990.4,539 233.329,540 1.74,541 4.637,542 0.241,543 0.009,544 0.098,545 0.068,546 0.044,547 0.026,548 0.024,549 0.017,550 0.014,551 0.011,552 0.552,553 0.17,554 0.88,555 1.738,556 133.694,557 -0.192,558 -0.527,559 0.172,560 -0.291,561 -0.231,562 -0.018,563 0.107,564 0.241,565 0.007,566 0.164,567 0.136,568 0.09,569 -0.054,570 -0.236,571 -0.06,572 -0.172,573 -0.062,574 -0.133,575 0.018,576 0.126,577 -0.086,578 0.072,579 0.016,580 -0.055,581 0.042,582 -0.027,583 -0.018,584 -0.067,585 0.015,586 0.009,587 -0.197,588 -0.081,589 -0.174,590 -0.097,591 -0.147,592 -0.087,593 0.045,594 0.092,595 -0.141,597 0.006,598 -0.178,599 -0.027,600 -0.255,601 0.09,602 -0.134,603 -0.012,604 -0.028,605 5.403,606 4.587,607 0.519,608 24.532,609 1.063,610 1.155,611 -0.767,612 0.589,613 0.631,614 3.401,615 3.784,616 4.043,617 4.304,618 4.454,619 4.575,620 4.718,621 4.86,622 4.852,623 4.844,624 6.426,625 0.643,626 404.41,627 3.401,628 4.977,629 5.838,630 6.746,631 7.629,632 8.543,633 9.436,634 10.352,635 11.252,636 12.17,637 14,640 1,643 1,644 1,646 3,650 2,651 2,652 3,653 1,654 1,655 10,659 1,666 43,667 13,669 29,671 45,672 12,673 5,677 3,678 4,683 3,686 3,688 6,689 6,691 3,693 1,694 3,697 1,700 16,701 13,702 5,703 15,704 1,706 1,707 6,711 0.667,712 8,714 2,715 1,717 1,721 2,722 1,729 1,730 2,731 1,732 2,733 1,735 1,739 27,740 1,742 1,743 2,744 1,745 1,746 3,747 4,754 18.6,755 2,757 3,758 2,759 1,761 15.25,762 7.45,763 5.861,764 2.007,765 2.181,766 1.299,767 0.881,768 5.591,769 9.481,770 3.638,771 4.266,772 4.726,773 5.297,774 5.697,775 6.033,776 6.395,777 6.751,778 6.715,779 6.868,780 1,781 43,782 10.521,783 5.138,784 8.515,785 17.67,786 14.423,787 3.015,788 81.417,789 129.482,790 53.174,791 101.558,793 185.37,795 7.511,796 45.662,797 314.852,798 101.558,799 10.883,800 20.997,801 125.775,802 173.236,803 23.662,804 20.862,805 94.169,807 129.482,808 147.22,809 185.37,810 7.511,812 129.482,813 80.458,814 104.912,815 43.993,816 52.871,817 57.868,819 129.482,820 286.928,821 53.174,823 7.511,824 129.482,825 17.542,826 30.019,827 16.405,828 268.624,829 129.482,830 286.928,831 53.174,833 0.599,834 0.349,835 0.177,836 0.09,837 21,838 11,839 0.133,840 6,841 1,842 1.143,843 3.713,844 230.298,845 0.143,846 14,847 126.382,848 1,849 19.842,850 7.608,851 4.018,852 0.521,853 285.029,854 2.481,855 11.823,856 0.117,857 1.322,858 134.669,859 469.584,860 37,862 -4.486,863 34.128,866 -1.247,867 45.724,868 49.661,869 0.372,870 0.782,871 0.916,872 0.945,873 0.954,874 0.954,875 4.924,876 1.542,877 5.894,878 4.71,879 4.466,880 4.952,881 2.795,882 6.788,883 4.324,884 6.173,885 1.04,886 7.52,887 3.671,888 4.369,889 5.173,890 1.784,891 8.011,892 4.225,893 7.541,894 0.773,895 9.25,896 2.926,897 6.196,898 7.28,899 3.844,900 11.044,901 5.951,902 8.948,903 0.71,904 11.037,905 1.833,906 6.868,907 8.293,908 3.553,909 13.014,910 6.615,911 10.388,912 0.367,913 12.86,914 1.729,915 8.249,916 9.995,917 5.099,918 15.635,919 7.92,920 11.85,921 -0.037,922 14.706,923 0.519,924 9.223,925 11.31,926 5.235,927 17.876,928 8.871,929 13.328,930 -0.316,931 16.568,932 -0.087,933 10.46,934 12.888,935 6.471,936 20.367,937 10.049,938 3.302,939 -0.485,940 18.441,941 -0.722,942 11.552,943 14.321,944 6.865,945 22.713,946 11.108,947 3.209,948 11.611,949 20.324,950 -1.256,951 12.742,952 15.856,953 7.914,954 25.16,955 12.248,956 2.995,957 11.025,958 22.212,959 4.581,960 13.881,961 17.336,962 8.462,963 27.55,964 13.349,965 2.39,966 10.112,967 24.107,968 4.483,969 15.057,970 18.857,971 9.4,972 29.982,973 14.48,974 2.174,975 7.931,976 26.005,977 3.324,978 16.216,979 20.355,980 10.041,981 32.392,982 15.598,983 1.896,984 5.89,985 27.906,986 2.92,987 17.389,988 21.871,989 10.913,990 34.821,991 16.728,992 1.59,993 5.589,994 29.81,995 2.712,996 18.556,997 23.377,998 11.609,999 37.24,1000 17.855,1001 8187,1002 17289,1003 18.205,1004 27.125,1005 43.96,1006 46.698,1007 47.059,1008 43.809,1009 43.982,1010 55.457,1011 10.108,1012 135.092,1013 40.692,1014 5.669,1015 6.475,1016 6.473,1017 5.35,1018 5.302,1019 7.581,1020 3.872,1021 19.32,1022 5.084,1023 17.621,1024 1.516,1025 1.61,1026 1.623,1027 1.511,1028 1.517,1029 1.912,1030 0.349,1031 4.658,1032 1.403,1033 4.106,1034 4.156,1035 4.709,1036 3.909,1037 7.725,1038 3.944,1039 3.943,1040 3.896,1041 4.08,1042 3.82,1043 7.433,1044 3.72,1045 3.764,1046 3.77,1047 3.711,1048 3.58,1049 6.999,1050 3.581,1051 3.411,1052 3.437,1053 3.371,1054 3.093,1055 6.494,1056 3.134,1057 3.331,1058 3.39,1059 3.265,1060 3.051,1061 6.4,1062 3.086,1063 3.109,1064 3.167,1065 2.972,1066 2.862,1067 5.271,1068 2.868,1069 2.99,1070 3.102,1071 2.878,1072 2.68,1073 4.856,1074 2.717,1075 2.909,1076 2.942,1077 2.719,1078 2.592,1079 4.577,1080 2.61,1081 0.162,1082 0.154,1083 0.239,1084 0.146,1085 0.114,1086 4.695,1087 0.158,1088 4.475,1089 0.075,1090 6.924,1091 0.4,1092 4.234,1093 0.11,1094 3.302,1095 4.581,1096 2.172,1097 11.611,1098 3.177,1099 1.797,1100 1.751,1101 1.849,1102 2.008,1103 1.172,1104 1.965,1105 1.658,1106 1.698,1107 1.777,1108 1.893,1109 0.998,1110 1.901,1111 1.561,1112 1.535,1113 1.651,1114 1.809,1115 0.757,1116 1.781,1117 1.455,1118 1.425,1119 1.609,1120 1.734,1121 0.606,1122 1.706,1123 1.227,1124 1.196,1125 1.355,1126 1.551,1127 0.534,1128 1.557,1129 1.109,1130 1.051,1131 1.227,1132 1.407,1133 0.396,1134 1.389,1135 0.831,1136 0.767,1137 1.146,1138 1.225,1139 0.144,1140 1.213,1141 0.79,1142 0.717,1143 1.067,1144 1.166,1146 1.131,1147 4.078,1149 5.442,1150 3.045,1151 6.984,1152 5.476,1153 8.604,1154 7.627,1155 10.269,1157 0.974,1161 5.693,1162 20.374,1163 -0.676,1164 1.468,1165 14.214,1166 -5.288,1170 27.668,1171 86.8,1172 182.535,1173 213.82,1174 220.574,1175 222.574,1176 222.574,1177 73.902,1178 7.3,1179 201.01,1180 209.39,1181 16,1182 12.683,1183 3.807,1184 3.17,1185 47.038,1186 105,1187 111,1188 0.225,1189 172.928,1190 298.91,1191 413.704,1192 13503,1194 19.767,1195 0.732,1196 0.541,1197 20.017,1198 14.606,1199 12.731,1200 0.439,1201 0.305,1202 7.271,1203 10.931,1204 7.109,1205 5.803,1206 13.585,1207 8.838,1208 12.275,1209 0.285,1210 0.158,1211 13.585,1212 6.81,1213 10.024,1214 0.179,1215 0.083,1216 10.885,1217 4.643,1218 7.996,1219 0.11,1220 0.043,1221 8.879,1222 3.142,1223 5.902,1224 0.069,1225 0.023,1226 6.56,1227 1.984,1228 0.352,1229 93.009,1230 0.234,1231 25.813,1232 0.622,1233 144,1234 637.799,1235 211.436,1236 598.73,1237 781.99,1238 550,1239 171,1240 521.498,1241 249.817,1242 551.913,1243 814.16,1244 512,1245 5.602}
{0 CHEMBL1162051,1 1.919,2 13.281,3 -1.168,4 1.365,5 109.312,6 8.933,7 0.457,8 4.114,9 4.2,10 3.939,11 3.545,12 5.317,13 3.583,14 4.661,15 4.777,16 4.248,17 3.931,18 6.109,19 3.96,20 4.905,21 5.054,22 4.301,23 4.032,24 6.25,25 4.033,26 4.966,27 5.145,28 4.276,29 3.997,30 6.39,31 3.99,32 4.909,33 5.09,34 4.241,35 3.927,36 6.265,37 3.917,38 4.801,39 4.951,40 4.247,41 3.853,42 6.312,43 3.87,44 4.807,45 4.968,46 4.113,47 3.765,48 6.374,49 3.777,50 4.632,51 4.795,52 3.937,53 3.649,54 6.087,55 3.651,56 0.338,57 0.826,58 11.378,59 4.379,60 50.461,61 4.548,62 1.034,63 1.24,64 18.553,65 7.441,66 110.35,67 8.123,68 1.411,69 1.41,70 29.564,71 9.652,72 159.326,73 10.777,74 1.594,75 1.392,76 35.554,77 9.953,78 200.269,79 11.593,80 1.559,81 1.277,82 33.599,83 9.169,84 170.813,85 10.38,86 1.283,87 1.175,88 32.321,89 8.675,90 174.676,91 9.189,92 1.591,93 1.084,94 31.117,95 8.086,96 202.451,97 8.494,98 1.101,99 0.96,100 25.517,101 6.89,102 153.611,103 7.644,104 37,105 51,106 0.317,107 0.703,108 0.831,109 0.877,110 0.892,111 0.892,112 3.502,113 0.929,114 -2.06,115 -2.11,116 -2.09,119 34.6,121 1,125 1,127 3,128 1,134 5,135 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 7,159 7,160 1,162 1,163 5,165 1,166 8,168 3,169 1,170 1,171 4,172 1,173 1,175 5,177 6,178 5,180 2,181 4,183 2,185 1,187 3,188 5,190 4,192 2,197 1,198 7,200 1,201 5,202 1,203 1,211 5,212 7,215 4,216 2,219 1,224 4,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 4,240 2,246 1812,247 21.068,248 21.068,249 21.068,250 21.068,251 21.068,252 18.647,253 21.443,254 12.163,255 21.563,256 17.239,257 17.239,258 17.239,259 17.239,260 17.239,261 13.563,262 25.692,263 5.761,264 18.136,265 3.782,266 1.452,267 0.675,268 0.399,269 0.308,270 0.308,271 4.19,275 1,276 922,277 4.183,280 171.768,281 221.05,282 143.679,284 2.049,285 63.836,286 0.75,287 0.67,288 0.83,289 0.7,291 0.67,292 0.5,293 0.59,294 74,295 425,296 4.696,297 4.474,298 6.924,299 4.235,300 3.302,301 4.581,302 1.969,303 11.611,304 3.187,305 4.641,306 3.59,307 6.739,308 4.193,309 3.211,310 4.484,311 1.579,312 11.029,313 3.04,314 4.14,315 3.568,316 6.528,317 3.935,318 2.995,319 3.471,320 1.041,321 10.112,322 2.805,323 3.946,324 3.128,325 5.892,326 3.588,327 2.583,328 3.324,329 0.219,330 7.932,331 2.593,332 3.662,333 2.609,334 5.467,335 3.314,336 2.389,337 2.92,339 7.338,340 2.204,341 3.455,342 2.593,343 5.237,344 3.038,345 2.02,346 2.668,347 5.878,348 2.044,349 3.058,350 2.244,351 4.8,352 2.823,353 1.892,354 2.324,355 5.274,356 1.748,357 3.03,358 1.969,359 4.748,360 2.483,361 1.59,362 2.112,363 4.709,364 1.416,365 2.852,366 1.561,367 4.144,368 2.444,369 1.542,370 1.987,371 3.671,372 1.397,373 2.733,374 1.549,375 4.068,376 2.397,377 1.394,378 1.762,379 3.002,380 1.384,381 2.5,382 1.469,383 3.646,384 2,385 1.04,386 1.5,387 2.925,388 1,389 2.413,390 1.239,391 3.492,392 1.945,393 1,394 1.386,395 2.136,396 0.937,397 2.101,398 1,399 3.304,400 1.666,401 0.772,402 0.996,403 1.832,404 0.688,405 1.773,406 0.9,407 3.247,408 1.561,409 0.701,410 0.733,411 1.72,412 0.597,413 1.186,414 0.779,415 3.005,416 0.932,417 -0.01,418 -0.01,419 -0.025,420 -0.009,421 14.567,422 0.455,423 1.009,424 0.032,425 41.5,426 1.297,427 19,428 0.594,429 22.5,430 0.703,431 26.389,432 0.825,433 36.433,434 0.701,435 36.052,436 1.127,437 8.293,438 0.259,439 6.955,440 0.217,441 0.142,442 0.057,443 0.336,447 0.842,448 1.573,449 0.754,450 1.375,451 0.856,452 0.936,453 0.784,454 0.999,455 0.83,456 0.963,457 0.66,458 0.961,459 1.027,460 1.138,461 1.032,462 1.115,463 0.977,464 1.093,465 1.018,466 0.96,467 1.074,468 1.042,469 0.945,470 1.008,471 1.184,472 0.888,473 1.059,474 0.905,475 1.211,476 0.913,477 1.201,478 1.13,479 1.298,480 1.331,481 1.242,482 1.031,483 1.377,484 0.795,485 1.285,486 0.953,487 1.474,488 0.966,489 1.385,490 1.082,491 1.221,492 1.15,493 1.435,494 1.072,495 7.5,496 0.238,497 4.222,498 3.236,499 1.904,500 1.205,501 1.04,502 0.53,503 0.405,504 0.27,505 15033,506 52357,507 2.037,508 38.5,510 10,511 1,512 2,513 5,514 2,518 1.742,519 1.873,520 3.663,521 2.531,524 99.764,525 1.919,526 4.248,527 5.025,528 5.301,529 5.393,530 5.393,531 3.102,532 4.688,533 4.971,534 3.862,535 1915.78,536 8.682,537 28564.7,539 296.423,540 1.646,541 4.907,542 0.214,543 0.009,544 0.083,545 0.065,546 0.041,547 0.028,548 0.024,549 0.014,550 0.013,551 0.009,552 0.498,553 0.17,554 0.75,555 0.609,556 169.803,557 -0.104,558 -0.281,559 0.17,560 -0.157,561 -0.201,562 0.026,563 0.167,564 0.14,565 -0.029,566 0.017,567 0.122,568 -0.055,569 0.002,570 -0.128,571 -0.078,572 -0.104,573 -0.055,574 -0.131,575 0.04,576 -0.002,577 -0.026,578 -0.045,579 0.068,580 -0.035,581 -0.06,582 0.047,583 0.028,584 0.094,585 -0.11,586 0.052,587 -0.046,588 -0.123,589 -0.068,590 -0.171,591 0.006,592 -0.065,593 -0.071,594 0.129,595 -0.153,596 0.051,597 -0.047,598 -0.05,599 -0.218,600 -0.144,601 -0.125,602 -0.109,603 -0.135,604 -0.105,605 5.386,606 5.099,607 0.625,608 34.516,609 1.042,610 1.14,611 0.827,612 0.684,613 0.658,614 3.584,615 3.951,616 4.205,617 4.477,618 4.625,619 4.727,620 4.852,621 4.977,622 4.97,623 4.99,624 7.751,625 0.654,626 464.51,627 3.584,628 5.153,629 6.009,630 6.909,631 7.782,632 8.687,633 9.57,634 10.479,635 11.369,636 12.28,637 11.5,640 1,643 1,644 1,646 3,650 2,651 7,652 3,653 2,654 1,655 16,659 1,666 52,667 19,668 1,669 35,671 55,672 18,673 11,674 1,675 5,677 4,678 5,683 3,686 4,688 12,689 6,691 3,693 1,694 3,697 1,698 1,700 20,701 12,702 5,703 14,704 1,706 1,707 6,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,740 1,742 1,743 2,744 2,745 1,746 2,747 4,754 13.5,755 2,757 3,758 2,761 17.083,762 8.7,763 6.861,764 2.66,765 2.753,766 1.354,767 0.925,768 6.39,769 10.534,770 3.85,771 4.474,772 4.946,773 5.523,774 5.932,775 6.178,776 6.518,777 6.858,778 6.811,779 6.977,780 0.889,781 50,782 12.434,783 6.024,784 8.284,785 21.555,786 17.992,787 2.784,788 89.083,789 176.567,790 93.334,791 101.558,793 174.37,795 7.511,796 85.823,797 350.936,798 101.558,800 23.532,801 173.156,802 177.941,803 15.847,804 14.099,805 141.253,807 176.567,808 187.381,809 174.37,810 7.511,812 176.567,813 69.458,814 104.912,815 46.528,816 90.497,817 57.868,819 176.567,820 275.928,821 93.334,823 7.511,824 176.567,825 21.205,826 66.518,827 16.405,828 257.624,829 176.567,830 275.928,831 93.334,833 0.595,834 0.342,835 0.182,836 0.092,837 25,838 12,839 0.127,840 7,841 1,842 1.1,843 4.283,844 290.655,845 0.1,846 20,847 154,848 1,849 22.541,850 9.072,851 4.912,852 0.539,853 274.029,854 11.074,855 11.93,856 0.747,857 1.345,858 134.669,859 545.829,860 46,862 -4.469,863 36.174,866 -0.788,867 54.164,868 59.282,869 0.337,870 0.745,871 0.882,872 0.93,873 0.946,874 0.946,875 5.118,876 1.59,877 6.043,878 5.274,879 4.635,880 5.162,881 2.695,882 6.909,883 4.533,884 6.354,885 1.542,886 7.644,887 4.709,888 4.443,889 5.247,890 1.593,891 8.063,892 4.327,893 7.703,894 1.394,895 9.352,896 3.671,897 6.326,898 7.449,899 3.587,900 11.106,901 6.138,902 9.09,903 1.04,904 11.122,905 3.002,906 6.929,907 8.352,908 3.123,909 13.044,910 6.714,911 10.512,912 1,913 12.93,914 2.925,915 8.34,916 10.108,917 4.649,918 15.664,919 8.068,920 11.958,921 0.772,922 14.764,923 2.136,924 9.272,925 11.355,926 4.586,927 17.892,928 8.962,929 13.422,930 0.701,931 16.616,932 1.832,933 10.521,934 12.957,935 5.808,936 20.381,937 10.161,938 3.302,939 -0.01,940 18.481,941 1.72,942 11.591,943 14.352,944 6.005,945 22.722,946 11.188,947 3.211,948 11.611,949 20.356,950 -0.025,951 12.783,952 15.897,953 7.03,954 25.167,955 12.335,956 2.995,957 11.029,958 22.24,959 4.581,960 13.91,961 17.356,962 7.398,963 27.554,964 13.419,965 2.583,966 10.112,967 24.129,968 4.484,969 15.085,970 18.88,971 8.295,972 29.986,973 14.55,974 2.389,975 7.932,976 26.023,977 3.471,978 16.237,979 20.368,980 8.774,981 32.395,982 15.659,983 2.02,984 7.338,985 27.921,986 3.324,987 17.408,988 21.884,989 9.591,990 34.823,991 16.788,992 1.892,993 5.878,994 29.823,995 2.92,996 18.572,997 23.385,998 10.141,999 37.243,1000 17.911,1001 14284,1002 26861,1003 22.77,1004 34.193,1005 53.199,1006 55.473,1007 55.051,1008 52.765,1009 52.867,1010 68.494,1011 9.616,1012 158.335,1013 50.083,1014 5.677,1015 6.474,1016 6.726,1017 5.351,1018 5.302,1019 7.581,1020 3.548,1021 19.32,1022 5.187,1023 18.015,1024 1.52,1025 1.585,1026 1.573,1027 1.508,1028 1.51,1029 1.957,1030 0.275,1031 4.524,1032 1.431,1033 4.109,1034 4.157,1035 4.709,1036 3.922,1037 7.725,1038 3.948,1039 3.975,1040 3.974,1041 4.08,1042 3.87,1043 7.427,1044 3.859,1045 3.877,1046 3.867,1047 3.84,1048 3.795,1049 6.999,1050 3.708,1051 3.762,1052 3.764,1053 3.711,1054 3.58,1055 6.494,1056 3.582,1057 3.385,1058 3.434,1059 3.333,1060 3.198,1061 6.4,1062 3.201,1063 3.324,1064 3.368,1065 3.264,1066 3.08,1067 5.271,1068 3.107,1069 3.1,1070 3.149,1071 2.972,1072 2.862,1073 4.856,1074 2.869,1075 2.99,1076 3.102,1077 2.878,1078 2.735,1079 4.746,1080 2.717,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.696,1087 0.131,1088 4.474,1089 0.056,1090 6.924,1091 0.332,1092 4.235,1093 0.091,1094 3.302,1095 4.581,1096 1.969,1097 11.611,1098 3.187,1099 1.918,1100 1.892,1101 2.043,1102 2.01,1103 1.173,1104 2.025,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.162,1110 1.965,1111 1.66,1112 1.696,1113 1.777,1114 1.875,1115 0.998,1116 1.89,1117 1.565,1118 1.537,1119 1.652,1120 1.807,1121 0.763,1122 1.78,1123 1.468,1124 1.43,1125 1.587,1126 1.717,1127 0.732,1128 1.702,1129 1.253,1130 1.246,1131 1.35,1132 1.484,1133 0.501,1134 1.481,1135 1.103,1136 1.05,1137 1.181,1138 1.378,1139 0.38,1140 1.372,1141 0.886,1142 0.821,1143 1.15,1144 1.224,1145 0.218,1146 1.212,1147 4.263,1149 5.617,1150 3.045,1151 7.148,1152 5.476,1153 8.757,1154 7.627,1155 10.409,1161 5.74,1162 20.693,1163 -0.808,1164 1.789,1165 10.38,1166 -5.264,1170 34.007,1171 99.764,1172 220.897,1173 261.303,1174 275.668,1175 280.423,1176 280.423,1177 86.655,1178 7.781,1179 191.78,1180 200.16,1181 22,1182 12.799,1183 4.322,1184 3.585,1185 52.096,1186 149,1187 154,1188 0.168,1189 210.31,1190 362.74,1191 504.917,1192 27813,1194 22.88,1195 0.715,1196 0.54,1197 23.13,1198 17.292,1199 15.249,1200 0.436,1201 0.31,1202 9.318,1203 13.596,1204 9.127,1205 7.453,1206 16.102,1207 10.843,1208 14.607,1209 0.286,1210 0.165,1211 15.916,1212 8.404,1213 11.788,1214 0.179,1215 0.087,1216 12.649,1217 5.756,1218 9.927,1219 0.114,1220 0.046,1221 10.779,1222 4.019,1223 7.24,1224 0.072,1225 0.025,1226 7.875,1227 2.561,1228 0.269,1229 107,1230 0.21,1231 30.24,1232 0.446,1233 172,1234 654.063,1235 236.226,1236 627.825,1237 830,1238 578,1239 203,1240 562.952,1241 278.936,1242 597.071,1243 878.88,1244 558,1245 4}
{0 CHEMBL1162052,1 2.265,2 14.711,3 -0.528,4 0.697,5 114.081,6 11.048,7 0.39,8 4.147,9 4.22,10 4.095,11 3.516,12 5.591,13 3.628,14 4.674,15 4.765,16 4.446,17 3.897,18 6.319,19 4.02,20 4.942,21 5.055,22 4.633,23 4.005,24 6.697,25 4.139,26 5.031,27 5.167,28 4.67,29 3.98,30 6.951,31 4.113,32 4.959,33 5.107,34 4.626,35 3.93,36 6.851,37 4.023,38 4.876,39 4.995,40 4.552,41 3.822,42 6.846,43 3.948,44 4.796,45 4.926,46 4.345,47 3.721,48 6.734,49 3.819,50 4.651,51 4.804,52 4.172,53 3.651,54 6.313,55 3.723,56 0.703,57 1.079,58 5.292,59 4.08,60 119.486,61 2.547,62 1.494,63 1.674,64 9.559,65 6.881,66 205.861,67 4.829,68 2.413,69 2.177,70 19.035,71 9.058,72 361.937,73 6.747,74 2.696,75 2.032,76 23.019,77 8.851,78 429.49,79 7.039,80 2.469,81 1.775,82 26.961,83 9.18,84 418.448,85 7.765,86 2.299,87 1.24,88 25.795,89 8.399,90 419.869,91 6.673,92 2.197,93 1.019,94 18.722,95 6.903,96 350.718,97 5.866,98 1.71,99 1.052,100 17.966,101 6.469,102 286.123,103 5.852,104 124,105 62,106 0.373,107 0.761,108 0.849,109 0.883,110 0.89,111 0.89,112 3.668,113 0.833,114 -2.47,115 -2.5,116 -2.45,119 33.3,125 1,127 3,128 1,135 1,136 5,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,156 1,158 1,159 7,160 1,161 1,162 1,163 5,165 1,168 3,170 1,171 4,172 1,177 6,178 4,180 2,181 4,187 3,190 4,195 1,197 2,200 1,201 6,202 1,207 1,211 5,212 1,214 1,215 4,216 2,219 2,223 3,225 1,227 2,228 1,229 1,230 1,231 1,234 6,235 1,237 4,238 4,240 1,246 2666,247 24.543,248 24.543,249 24.543,250 24.543,251 24.543,252 21.47,253 24.368,254 13.709,255 25.238,256 20.011,257 20.011,258 20.011,259 20.011,260 20.011,261 15.572,262 25.581,263 6.269,264 21.361,265 3.407,266 1.054,267 0.525,268 0.314,269 0.275,270 0.275,271 4.347,276 1192,277 4.583,280 213.5,281 265.611,282 179.528,284 2.109,285 115.081,286 0.5,287 0.67,288 0.67,289 0.2,291 0.5,292 0.5,293 0.43,294 93.5,295 559,296 4.736,297 4.474,298 7.017,299 4.308,300 3.342,301 4.581,302 1.579,303 11.805,304 3.24,305 4.643,306 3.771,307 6.924,308 4.224,309 3.299,310 4.511,311 1.041,312 11.61,313 3.081,314 4.635,315 3.583,316 6.731,317 4.152,318 3.178,319 4.42,320 0.98,321 10.975,322 3.038,323 4.14,324 3.361,325 6.528,326 3.935,327 2.995,328 3.361,330 10.112,331 2.804,332 3.937,333 3.128,334 6.189,335 3.544,336 2.567,337 3.324,339 8.85,340 2.494,341 3.661,342 3.006,343 5.891,344 3.313,345 2.388,346 3,347 7.931,348 2.202,349 3.637,350 2.598,351 5.791,352 3.2,353 2.303,354 2.92,355 7.292,356 2.033,357 3.252,358 2.587,359 5.237,360 2.831,361 1.905,362 2.424,363 5.875,364 1.754,365 3.058,366 2.244,367 4.852,368 2.685,369 1.708,370 2.324,371 4.834,372 1.644,373 3.03,374 1.969,375 4.781,376 2.482,377 1.589,378 2.112,379 4.691,380 1.415,381 2.934,382 1.86,383 4.144,384 2.444,385 1.542,386 1.965,387 3.671,388 1.386,389 2.732,390 1.613,391 4.069,392 2.17,393 1.197,394 1.761,395 2.926,396 1.154,397 2.413,398 1.549,399 3.858,400 1.945,401 1.04,402 1.386,403 2.404,404 0.937,405 2.101,406 1.469,407 3.618,408 1.666,409 0.772,410 0.996,411 1.83,412 0.688,413 1.781,414 1.239,415 3.505,416 1.559,417 0.699,418 0.732,419 1.706,420 0.595,421 16.41,422 0.432,423 1.384,424 0.036,425 48.25,426 1.27,427 21.5,428 0.566,429 26.75,430 0.704,431 33.879,432 0.892,433 44.19,434 0.866,435 50.706,436 1.334,437 10.107,438 0.266,439 7.766,440 0.204,441 0.22,442 0.051,443 0.451,445 4,447 0.811,448 1.166,449 0.686,450 1.362,451 0.747,452 0.867,453 0.847,454 0.972,455 0.765,456 0.954,457 0.699,458 0.865,459 0.984,460 1.097,461 0.944,462 1.173,463 0.871,464 1.062,465 0.92,466 0.837,467 0.961,468 0.958,469 0.842,470 1.001,471 0.812,472 0.748,473 1.013,474 1.083,475 0.78,476 1.022,477 0.847,478 0.847,479 1.125,480 1.28,481 0.826,482 1.106,483 0.77,484 0.658,485 1.069,486 0.898,487 0.765,488 1.12,489 1.007,490 0.892,491 1.187,492 1.182,493 0.982,494 1.22,495 9,496 0.373,497 6.444,498 4.924,499 3.5,500 1.886,501 1.287,502 0.734,503 0.488,504 0.425,505 22351,506 109983,507 1.956,508 25.5,510 5,511 1,512 2,513 5,518 1.786,519 1.747,520 3.774,521 2.501,524 115.52,525 2.265,526 4.618,527 5.148,528 5.359,529 5.398,530 5.398,531 3.242,532 4.702,533 5.223,534 3.986,535 2802.24,536 9.186,537 46802.7,539 289.294,540 1.703,541 5.122,542 0.22,543 0.009,544 0.104,545 0.071,546 0.052,547 0.032,548 0.023,549 0.016,550 0.012,551 0.01,552 0.549,553 0.17,554 0.75,555 0.932,556 211.838,557 -0.146,558 -0.152,559 0.096,560 -0.157,561 -0.119,562 0.038,563 -0.047,564 -0.045,565 -0.052,566 0.034,567 0.012,568 0.027,569 -0.024,570 -0.126,571 -0.003,572 -0.131,573 0.009,574 -0.07,575 0.085,576 0.074,577 0.066,578 0.014,579 0.129,580 -0.001,581 0.176,582 0.145,583 0.218,584 0.028,585 0.178,586 0.081,587 0.149,588 -0.012,589 0.087,590 -0.145,591 0.179,592 -0.045,593 0.185,594 0.05,595 -0.008,596 0.048,597 0.172,598 -0.088,599 -0.115,600 -0.113,601 -0.026,602 -0.121,603 -0.084,604 -0.085,605 6.154,606 6.125,607 0.526,608 40.964,609 1.095,610 1.174,611 1.242,612 1.542,613 0.66,614 3.738,615 4.143,616 4.454,617 4.727,618 4.89,619 4.997,620 5.069,621 5.142,622 5.142,623 5.153,624 8.462,625 0.706,626 563.46,627 3.738,628 5.333,629 6.217,630 7.136,631 8.036,632 8.958,633 9.864,634 10.786,635 11.695,636 12.616,637 17.6,640 1,643 1,644 1,646 3,648 1,649 1,650 2,651 2,652 3,653 7,654 1,655 16,659 1,665 4,666 51,667 21,668 1,669 41,671 54,672 17,673 11,674 6,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 5,693 1,694 3,696 1,697 1,699 4,700 13,701 18,702 5,703 21,704 1,706 1,707 9,708 1,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,737 4,739 38,740 1,742 1,743 2,744 1,745 1,746 2,747 4,753 4,754 13.7,755 2,757 3,758 2,761 21.75,762 8.971,763 8.222,764 2.521,765 3.173,766 1.387,767 0.918,768 7.433,769 11.372,770 4.007,771 4.68,772 5.221,773 5.816,774 6.27,775 6.578,776 6.869,777 7.138,778 7.066,779 7.155,780 0.9,781 69,782 16.119,783 9.173,784 8.919,785 24.053,786 19.943,787 3.419,788 129.917,789 94.169,790 82.659,791 165.086,793 174.37,794 59.84,795 7.511,796 75.148,797 268.539,798 224.926,800 20.997,801 163.68,802 220.624,803 15.847,804 14.901,805 151.894,807 94.169,808 240.234,809 234.21,810 7.511,812 164.795,813 112.141,814 104.912,815 46.528,816 83.777,817 74.653,819 154.009,820 339.455,821 82.659,823 7.511,824 94.169,825 57.911,826 19.136,827 16.405,828 380.992,829 94.169,830 399.296,831 82.659,833 0.604,834 0.371,835 0.198,836 0.102,837 30,838 17,839 0.13,840 7,841 1,842 1.1,843 4.506,844 378.121,845 0.1,846 20,847 189.421,848 1,849 27.45,850 10.29,851 4.98,852 0.243,853 382.082,854 2.252,855 11.648,856 -12.932,857 1.173,858 134.669,859 576.124,860 54,862 -5.237,863 36.397,865 2.434,866 -2.182,867 55.869,868 59.89,869 0.399,870 0.814,871 0.908,872 0.945,873 0.952,874 0.952,875 5.303,876 1.905,877 6.279,878 7.292,879 4.828,880 5.368,881 2.31,882 7.2,883 4.698,884 6.572,885 1.708,886 7.925,887 5.875,888 4.745,889 5.551,891 8.409,892 4.584,893 7.946,894 1.589,895 9.672,896 4.834,897 6.575,898 7.713,899 2.87,900 11.496,901 6.348,902 9.356,903 1.542,904 11.474,905 4.691,906 7.259,907 8.678,909 13.442,910 6.996,911 10.798,912 1.197,913 13.309,914 3.671,915 8.641,916 10.406,917 3.593,918 16.104,919 8.326,920 12.26,921 1.04,922 15.164,923 2.926,924 9.624,925 11.686,927 18.331,928 9.269,929 13.739,930 0.772,931 17.034,932 2.404,933 10.864,934 13.273,935 4.417,936 20.853,937 10.463,938 3.342,939 0.699,940 18.914,941 1.83,942 11.965,943 14.683,945 23.198,946 11.521,947 3.299,948 11.805,949 20.803,950 1.706,951 13.161,952 16.219,953 5.291,954 25.669,955 12.673,956 3.178,957 11.61,958 22.698,959 4.581,960 14.309,961 17.684,963 28.067,964 13.778,965 2.995,966 10.975,967 24.598,968 4.511,969 15.492,970 19.202,971 6.188,972 30.521,973 14.919,974 2.567,975 10.112,976 26.503,977 4.42,978 16.66,979 20.691,981 32.943,982 16.044,983 2.388,984 8.85,985 28.411,986 3.361,987 17.843,988 22.202,989 7.095,990 35.391,991 17.184,992 2.303,993 7.931,994 30.322,995 3.324,996 19.02,997 23.701,999 37.827,1000 18.32,1001 21627,1002 48285,1003 25.49,1004 33.676,1005 63.531,1006 67.444,1007 68.23,1008 62.811,1009 62.86,1010 81.74,1011 7.2,1012 197.115,1013 58.403,1014 5.715,1015 6.474,1016 6.776,1017 5.424,1018 5.342,1019 7.581,1020 3.158,1021 19.805,1022 5.24,1023 27.591,1024 1.55,1025 1.645,1026 1.664,1027 1.532,1028 1.533,1029 1.994,1030 0.176,1031 4.808,1032 1.424,1033 4.111,1034 4.158,1035 4.71,1036 3.926,1037 8.253,1038 3.95,1039 4.012,1040 4.016,1041 4.081,1042 3.876,1043 8.225,1044 3.889,1045 3.887,1046 3.864,1047 3.978,1048 3.768,1049 8.166,1050 3.695,1051 3.758,1052 3.755,1053 3.711,1054 3.579,1055 8.156,1056 3.573,1057 3.391,1058 3.467,1059 3.404,1060 3.096,1061 7.724,1062 3.143,1063 3.332,1064 3.413,1065 3.265,1066 3.055,1067 7.427,1068 3.098,1069 3.14,1070 3.194,1071 3.106,1072 2.862,1073 6.999,1074 2.878,1075 3.039,1076 3.103,1077 3.047,1078 2.724,1079 6.727,1080 2.787,1081 0.116,1082 0.109,1083 0.171,1084 0.105,1085 0.082,1086 4.736,1087 0.112,1088 4.474,1089 0.039,1090 7.017,1091 0.288,1092 4.308,1093 0.079,1094 3.342,1095 4.581,1096 1.579,1097 11.805,1098 3.24,1099 1.876,1100 1.87,1101 1.864,1102 2.025,1103 1.172,1104 1.988,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.017,1110 1.965,1111 1.645,1112 1.675,1113 1.777,1114 1.865,1115 0.995,1116 1.865,1117 1.554,1118 1.531,1119 1.651,1120 1.805,1121 0.756,1122 1.775,1123 1.442,1124 1.419,1125 1.359,1126 1.697,1127 0.558,1128 1.681,1129 1.157,1130 1.118,1131 1.294,1132 1.524,1133 0.401,1134 1.436,1135 1.093,1136 1.044,1137 1.148,1138 1.412,1139 0.148,1140 1.377,1141 0.835,1142 0.766,1143 1.078,1144 1.227,1145 0.007,1146 1.213,1147 4.419,1149 5.802,1150 3.045,1151 7.371,1152 5.476,1153 9.027,1154 7.627,1155 10.73,1159 56.033,1161 5.683,1162 20.637,1163 -1.051,1164 1.028,1165 9.904,1166 -6.337,1170 36.024,1171 115.52,1172 235.519,1173 262.539,1174 273.294,1175 275.294,1176 275.294,1177 150.559,1178 8.199,1179 240.54,1180 248.92,1181 22,1182 13.126,1183 4.459,1184 3.807,1185 67.884,1186 198,1187 194,1188 0.168,1189 220.039,1190 397.44,1191 528.654,1192 46647,1193 7.8,1194 27.938,1195 0.735,1196 0.502,1197 24.707,1198 19.065,1199 17.874,1200 0.436,1201 0.278,1202 9.721,1203 15.611,1204 9.645,1205 7.797,1206 17.051,1207 11.383,1208 17.206,1209 0.278,1210 0.142,1211 16.618,1212 8.83,1213 14.803,1214 0.174,1215 0.072,1216 13.542,1217 6.11,1218 12.25,1219 0.109,1220 0.037,1221 11.259,1222 4.168,1223 8.944,1224 0.068,1225 0.02,1226 8.53,1227 2.661,1228 0.268,1229 127.626,1230 0.198,1231 34.497,1232 0.446,1233 206,1234 1121.73,1235 289.074,1236 965.205,1237 1230.76,1238 882,1239 250,1240 820.109,1241 347.238,1242 826.624,1243 1224.92,1244 770,1245 4}
{0 CHEMBL1162053,1 1.902,2 14.029,3 -1.682,4 2.83,5 117.137,6 8.659,7 0.432,8 4.196,9 4.295,10 3.986,11 3.614,12 5.395,13 3.649,14 4.743,15 4.869,16 4.301,17 4.009,18 6.159,19 4.03,20 5.01,21 5.174,22 4.375,23 4.127,24 6.356,25 4.118,26 5.09,27 5.281,28 4.357,29 4.108,30 6.471,31 4.089,32 5.031,33 5.221,34 4.341,35 4.067,36 6.407,37 4.039,38 4.996,39 5.167,40 4.296,41 3.975,42 6.458,43 3.983,44 4.894,45 5.07,46 4.204,47 3.886,48 6.412,49 3.871,50 4.8,51 4.984,52 4.097,53 3.783,54 6.234,55 3.774,56 0.353,57 0.899,58 13.166,59 4.608,60 54.696,61 5.219,62 1.059,63 1.348,64 21.366,65 8.047,66 117.601,67 9.409,68 1.468,69 1.548,70 33.961,71 10.55,72 172.259,73 12.801,74 1.758,75 1.542,76 40.83,77 10.518,78 229.016,79 13.217,80 1.585,81 1.45,82 41.625,83 10.796,84 183.612,85 13.242,86 1.646,87 1.322,88 38.538,89 9.444,90 229.557,91 10.988,92 1.539,93 1.208,94 34.266,95 8.858,96 193.6,97 10.297,98 1.249,99 1.08,100 33.311,101 8.159,102 175.31,103 9.75,104 50,105 54,106 0.309,107 0.701,108 0.843,109 0.884,110 0.897,111 0.897,112 3.56,113 0.934,114 -1.58,115 -1.66,116 -1.69,119 33.3,121 1,125 1,127 4,128 1,134 5,135 1,138 1,139 1,140 1,147 1,149 1,150 1,152 2,153 2,154 2,157 7,159 7,162 1,163 5,165 1,166 8,167 1,168 3,169 1,170 2,171 5,172 2,173 2,174 1,175 5,176 1,177 6,178 1,180 2,181 4,183 3,185 1,186 2,187 3,188 5,189 3,190 7,192 4,195 2,197 1,198 5,200 1,201 5,202 1,203 3,208 1,211 5,212 7,215 4,216 2,217 1,219 1,224 7,226 1,227 3,228 1,231 1,234 6,235 4,237 1,238 4,239 1,240 1,242 1,246 2098,247 22.275,248 22.275,249 22.275,250 22.275,251 22.275,252 19.879,253 22.22,254 12.79,255 22.789,256 18.19,257 18.19,258 18.19,259 18.19,260 18.19,261 14.521,262 24.149,263 6.041,264 19.122,265 3.931,266 1.525,267 0.651,268 0.399,269 0.316,270 0.316,271 4.247,276 1031,277 4.528,280 188.161,281 241.388,282 157.179,284 2.151,285 68.453,286 0.5,287 0.5,288 0.67,289 0.6,291 0.5,292 0.5,293 0.47,294 78.5,295 477,296 4.699,297 4.476,298 6.924,299 4.239,300 3.303,301 4.581,302 1.934,303 11.611,304 3.197,305 4.641,306 3.678,307 6.751,308 4.2,309 3.222,310 4.484,311 1.579,312 11.064,313 3.04,314 4.14,315 3.581,316 6.528,317 3.936,318 2.996,319 3.465,320 1.041,321 10.113,322 2.806,323 3.98,324 3.128,325 5.896,326 3.713,327 2.716,328 3.324,329 0.148,330 8.096,331 2.703,332 3.722,333 2.727,334 5.874,335 3.355,336 2.391,337 2.965,339 7.926,340 2.353,341 3.661,342 2.595,343 5.278,344 3.31,345 2.344,346 2.919,347 6.634,348 2.202,349 3.058,350 2.245,351 5.235,352 2.827,353 1.901,354 2.324,355 5.87,356 1.75,357 3.03,358 1.969,359 4.787,360 2.502,361 1.592,362 2.112,363 4.715,364 1.499,365 2.922,366 1.93,367 4.145,368 2.481,369 1.542,370 2.08,371 3.671,372 1.415,373 2.733,374 1.549,375 4.07,376 2.444,377 1.495,378 1.762,379 3.33,380 1.386,381 2.5,382 1.47,383 4.008,384 2.055,385 1.066,386 1.5,387 2.926,388 1.044,389 2.413,390 1.462,391 3.592,392 2,393 1.039,394 1.386,395 2.618,396 1,397 2.354,398 1.239,399 3.387,400 1.945,401 1,402 1.258,403 2.136,404 0.937,405 2.101,406 1,407 3.302,408 1.665,409 0.77,410 0.995,411 1.828,412 0.687,413 1.772,414 0.898,415 3.247,416 1.55,417 0.686,418 0.725,419 1.666,420 0.586,421 15.467,422 0.455,423 1.098,424 0.032,425 42.75,426 1.257,427 19,428 0.559,429 23.75,430 0.699,431 29.889,432 0.879,433 39.133,434 0.687,435 38.674,436 1.137,437 8.501,438 0.25,439 7.659,440 0.225,441 0.159,442 0.054,443 0.349,447 0.869,448 1.554,449 0.778,450 1.351,451 0.896,452 0.936,453 0.781,454 1.056,455 0.831,456 0.999,457 0.669,458 0.984,459 0.95,460 1.141,461 0.988,462 1.132,463 0.908,464 1.097,465 1.088,466 0.935,467 1.062,468 0.98,469 1.073,470 0.989,471 0.967,472 1.012,473 1.169,474 1.152,475 0.962,476 0.996,477 1.42,478 1.018,479 1.214,480 1.082,481 1.522,482 0.994,483 1.202,484 0.904,485 1.238,486 1.054,487 1.296,488 1.017,489 1.345,490 1.033,491 1.197,492 1.142,493 1.421,494 0.961,495 8,496 0.235,497 4.889,498 3.236,499 2.384,500 1.205,501 1.062,502 0.675,503 0.422,504 0.346,505 17787,506 60217,507 2.018,508 40.4,510 11,511 1,512 2,513 7,515 2,518 1.757,519 1.846,520 3.745,521 4.14,524 108.419,525 1.902,526 4.308,527 5.182,528 5.434,529 5.517,530 5.517,531 3.22,532 4.617,533 5.059,534 3.945,535 2213.21,536 8.857,537 34736.8,539 332.475,540 1.667,541 4.989,542 0.216,543 0.008,544 0.091,545 0.06,546 0.048,547 0.025,548 0.023,549 0.016,550 0.011,551 0.01,552 0.508,553 0.17,554 0.75,555 0.619,556 184.344,557 -0.12,558 -0.223,559 0.157,560 -0.114,561 -0.22,562 0.051,563 0.168,564 0.108,565 -0.017,566 0.01,567 0.116,568 -0.049,569 0.062,570 -0.117,571 -0.037,572 -0.113,573 0.001,574 -0.122,575 -0.006,576 0.024,577 -0.027,578 0.004,579 -0.005,580 -0.026,581 0.084,582 -0.032,583 0.001,584 -0.048,585 0.047,586 0.002,587 -0.163,588 -0.08,589 -0.095,590 -0.048,591 -0.144,592 -0.053,593 0.007,594 0.061,595 -0.089,596 -0.007,597 0.018,598 -0.077,599 -0.152,600 -0.11,601 -0.001,602 -0.047,603 -0.082,604 0.024,605 5.483,606 5.21,607 0.588,608 38.318,609 1.038,610 1.144,611 0.354,612 0.125,613 0.648,614 3.638,615 4.007,616 4.263,617 4.511,618 4.682,619 4.745,620 4.883,621 5.011,622 5.004,623 5.011,624 8.18,625 0.641,626 493.56,627 3.638,628 5.209,629 6.066,630 6.963,631 7.839,632 8.74,633 9.625,634 10.529,635 11.421,636 12.327,637 12.3,638 1,640 1,643 1,644 1,646 3,650 2,651 7,652 3,653 2,654 1,655 16,659 1,666 57,667 19,668 1,669 37,671 60,672 19,673 11,674 1,675 5,677 4,678 5,683 3,686 5,688 12,689 7,691 3,693 1,694 3,697 1,700 23,701 13,702 7,703 15,704 1,706 1,707 7,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,728 1,730 2,731 1,732 3,733 1,739 34,740 2,742 1,743 2,744 2,745 1,746 2,747 5,754 12.3,755 2,757 3,758 2,761 18.417,762 9.367,763 7.306,764 2.896,765 2.707,766 1.344,767 0.923,768 7.109,769 10.569,770 3.892,771 4.508,772 4.981,773 5.527,774 5.952,775 6.171,776 6.517,777 6.857,778 6.832,779 6.957,780 1,781 54,782 13.255,783 6.452,784 8.277,785 22.921,786 19.17,787 2.777,788 94.417,789 188.338,790 93.334,791 134.455,793 174.37,795 7.511,796 85.823,797 362.707,798 134.455,800 56.429,801 173.156,802 177.941,803 15.847,804 14.099,805 153.024,807 188.338,808 220.278,809 174.37,810 7.511,812 164.795,813 93,814 104.912,815 79.425,816 90.497,817 57.868,819 188.338,820 308.825,821 93.334,823 7.511,824 188.338,825 21.205,826 66.518,827 16.405,828 290.521,829 188.338,830 308.825,831 93.334,833 0.597,834 0.347,835 0.178,836 0.094,837 26,838 13,839 0.133,840 8,841 1,842 1.1,843 4.422,844 314.433,845 0.1,846 20,847 166.974,848 1,849 24.437,850 9.891,851 5.369,852 0.516,853 306.926,854 11.334,855 11.931,856 0.869,857 1.333,858 167.566,859 590.497,860 48,862 -4.567,863 36.606,866 -0.961,867 59.149,868 65.196,869 0.326,870 0.739,871 0.888,872 0.932,873 0.946,874 0.946,875 5.165,876 1.592,877 6.103,878 5.87,879 4.691,880 5.196,881 2.669,882 6.969,883 4.592,884 6.399,885 1.542,886 7.708,887 4.715,888 4.511,889 5.278,890 1.593,891 8.118,892 4.396,893 7.745,894 1.495,895 9.419,896 3.671,897 6.385,898 7.471,899 3.538,900 11.16,901 6.203,902 9.131,903 1.066,904 11.19,905 3.33,906 6.995,907 8.373,908 3.067,909 13.086,910 6.787,911 10.551,912 1.039,913 12.998,914 2.926,915 8.399,916 10.122,917 4.569,918 15.705,919 8.136,920 11.995,921 1,922 14.83,923 2.618,924 9.331,925 11.367,926 4.483,927 17.922,928 9.033,929 13.457,930 0.77,931 16.679,932 2.136,933 10.574,934 12.965,935 5.694,936 20.409,937 10.228,938 3.303,939 0.686,940 18.541,941 1.828,942 11.641,943 14.358,944 5.86,945 22.744,946 11.254,947 3.222,948 11.611,949 20.413,950 1.666,951 12.83,952 15.901,953 6.88,954 25.188,955 12.398,956 2.996,957 11.064,958 22.293,959 4.581,960 13.954,961 17.36,962 7.213,963 27.573,964 13.48,965 2.716,966 10.113,967 24.178,968 4.484,969 15.126,970 18.882,971 8.107,972 30.004,973 14.609,974 2.391,975 8.096,976 26.069,977 3.465,978 16.276,979 20.37,980 8.552,981 32.411,982 15.717,983 2.344,984 7.926,985 27.964,986 3.324,987 17.445,988 21.886,989 9.363,990 34.84,991 16.845,992 1.901,993 6.634,994 29.862,995 2.965,996 18.607,997 23.387,998 9.882,999 37.259,1000 17.967,1001 16938,1002 31396,1003 23.868,1004 36.96,1005 56.537,1006 58.753,1007 58.481,1008 56.063,1009 56.126,1010 71.762,1011 9.405,1012 168.407,1013 53.21,1014 5.684,1015 6.476,1016 6.726,1017 5.355,1018 5.303,1019 7.581,1020 3.513,1021 19.32,1022 5.197,1023 20.306,1024 1.528,1025 1.588,1026 1.581,1027 1.515,1028 1.517,1029 1.94,1030 0.254,1031 4.552,1032 1.438,1033 4.109,1034 4.158,1035 4.709,1036 3.922,1037 7.725,1038 3.948,1039 3.975,1040 3.981,1041 4.08,1042 3.869,1043 7.427,1044 3.862,1045 3.894,1046 3.881,1047 3.849,1048 3.811,1049 6.999,1050 3.721,1051 3.766,1052 3.779,1053 3.711,1054 3.582,1055 6.494,1056 3.59,1057 3.541,1058 3.569,1059 3.491,1060 3.37,1061 6.4,1062 3.36,1063 3.335,1064 3.415,1065 3.265,1066 3.083,1067 5.271,1068 3.113,1069 3.117,1070 3.173,1071 2.978,1072 2.872,1073 4.988,1074 2.885,1075 2.992,1076 3.102,1077 2.893,1078 2.795,1079 4.856,1080 2.797,1081 0.127,1082 0.121,1083 0.187,1084 0.115,1085 0.089,1086 4.699,1087 0.124,1088 4.476,1089 0.052,1090 6.924,1091 0.314,1092 4.239,1093 0.086,1094 3.303,1095 4.581,1096 1.934,1097 11.611,1098 3.197,1099 1.925,1100 1.896,1101 2.055,1102 2.021,1103 1.222,1104 2.035,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.171,1110 1.965,1111 1.679,1112 1.711,1113 1.778,1114 1.894,1115 0.998,1116 1.907,1117 1.583,1118 1.546,1119 1.736,1120 1.811,1121 0.878,1122 1.788,1123 1.507,1124 1.462,1125 1.65,1126 1.763,1127 0.756,1128 1.74,1129 1.374,1130 1.372,1131 1.353,1132 1.606,1133 0.547,1134 1.62,1135 1.113,1136 1.055,1137 1.256,1138 1.409,1139 0.401,1140 1.388,1141 0.926,1142 0.885,1143 1.181,1144 1.225,1145 0.218,1146 1.213,1147 4.317,1149 5.673,1150 3.045,1151 7.206,1152 5.476,1153 8.814,1154 7.627,1155 10.465,1161 11.533,1162 20.763,1163 -0.567,1164 1.736,1165 10.394,1166 -6.503,1170 36.555,1171 108.419,1172 245.565,1173 295.355,1174 309.72,1175 314.475,1176 314.475,1177 98.875,1178 7.862,1179 217.8,1180 226.18,1181 22,1182 12.848,1183 4.322,1184 3.585,1185 57.172,1186 169,1187 170,1188 0.163,1189 226.697,1190 391.04,1191 544.9,1192 31203,1194 24.457,1195 0.719,1196 0.543,1197 24.707,1198 18.446,1199 16.16,1200 0.437,1201 0.311,1202 9.984,1203 14.478,1204 9.787,1205 8,1206 17.013,1207 11.52,1208 15.456,1209 0.286,1210 0.166,1211 16.765,1212 8.978,1213 12.702,1214 0.181,1215 0.088,1216 13.55,1217 6.144,1218 10.162,1219 0.113,1220 0.047,1221 11.037,1222 4.269,1223 7.774,1224 0.073,1225 0.026,1226 8.527,1227 2.789,1228 0.262,1229 112.753,1230 0.205,1231 31.844,1232 0.431,1233 182,1234 673.375,1235 247.253,1236 647.883,1237 856.6,1238 596,1239 215,1240 582.586,1241 292.517,1242 617.125,1243 909.05,1244 577,1245 4.438}
{0 CHEMBL1627105,1 1.806,2 16.705,3 1.668,4 2.781,5 153.857,6 8.838,7 0.571,8 4.4,9 4.482,10 4.194,11 3.916,12 5.616,13 3.936,14 4.919,15 5.023,16 4.531,17 4.31,18 6.329,19 4.322,20 5.188,21 5.334,22 4.626,23 4.429,24 6.509,25 4.423,26 5.258,27 5.424,28 4.634,29 4.409,30 6.697,31 4.401,32 5.22,33 5.39,34 4.641,35 4.41,36 6.525,37 4.39,38 5.222,39 5.375,40 4.641,41 4.385,42 6.714,43 4.387,44 5.217,45 5.388,46 4.511,47 4.328,48 6.635,49 4.323,50 5.114,51 5.285,52 4.446,53 4.293,54 6.432,55 4.278,56 0.347,57 1.077,58 13.98,59 6.303,60 51.251,61 6.147,62 1.024,63 1.69,64 21.906,65 10.395,66 106.34,67 10.907,68 1.391,69 2.064,70 36.312,71 14.014,72 153.071,73 15.175,74 1.794,75 2.154,76 41.195,77 13.938,78 227.328,79 15.187,80 1.528,81 2.111,82 42.416,83 14.109,84 165.246,85 15.233,86 1.666,87 2.096,88 43.751,89 13.903,90 231.752,91 14.702,92 1.759,93 2.031,94 40.05,95 12.774,96 216.261,97 13.828,98 1.194,99 1.892,100 34.788,101 12.087,102 160.02,103 13.557,104 50,105 72,106 0.277,107 0.616,108 0.738,109 0.842,110 0.897,111 0.909,112 3.81,113 0.899,114 -4.58,115 -4.51,116 -4.24,119 41.4,125 1,127 3,128 1,134 13,135 4,136 1,138 1,139 1,141 1,147 1,149 1,150 1,152 1,153 1,154 1,157 17,159 7,160 3,162 1,163 5,165 3,166 20,168 3,169 5,170 1,171 4,172 1,173 3,175 16,177 6,178 10,180 2,181 5,182 1,183 4,185 10,186 1,187 3,188 11,190 4,192 3,194 8,195 2,197 1,198 15,200 1,201 8,202 1,203 2,206 4,208 2,211 5,212 14,215 4,216 2,217 3,219 1,220 1,221 2,224 9,227 2,228 1,229 6,231 1,233 2,234 6,235 10,237 1,238 5,240 8,244 2,246 4420,247 29.361,248 29.361,249 29.361,250 29.361,251 29.361,252 25.628,253 20.718,254 16.882,255 29.869,256 24.144,257 24.144,258 24.144,259 24.144,260 24.144,261 18.462,262 23.461,263 7.988,264 25.105,265 4.323,266 2.113,267 1.314,268 0.638,269 0.279,270 0.2,271 4.516,276 1613,277 4.359,280 234.785,281 588.571,282 194.792,284 2.718,285 78.996,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 99,295 735,296 4.705,297 4.473,298 6.935,299 4.252,300 3.318,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.218,309 3.235,310 4.489,311 1.041,312 11.105,313 3.071,314 4.311,315 3.552,316 6.557,317 4.008,318 3.059,319 3.964,320 0.98,321 10.252,322 2.928,323 4.278,324 3.181,325 6.341,326 3.891,327 2.905,328 3.899,330 9.482,331 2.857,332 4.153,333 2.923,334 6.247,335 3.87,336 2.881,337 3.53,339 9.415,340 2.812,341 3.955,342 2.681,343 6.013,344 3.586,345 2.615,346 3.286,347 8.585,348 2.54,349 3.648,350 2.671,351 5.865,352 3.294,353 2.359,354 2.926,355 7.867,356 2.193,357 3.384,358 2.511,359 5.246,360 2.928,361 1.943,362 2.794,363 5.917,364 1.908,365 3.357,366 2.244,367 4.868,368 2.889,369 1.904,370 2.592,371 5.163,372 1.874,373 3.044,374 1.969,375 4.794,376 2.819,377 1.88,378 2.226,379 4.984,380 1.747,381 2.992,382 1.903,383 4.651,384 2.494,385 1.587,386 2.117,387 4.749,388 1.475,389 2.861,390 1.543,391 4.261,392 2.474,393 1.518,394 2.015,395 3.891,396 1.404,397 2.75,398 1.519,399 4.142,400 2.392,401 1.414,402 1.817,403 3.07,404 1.377,405 2.678,406 1.469,407 3.894,408 2.182,409 1.22,410 1.73,411 2.997,412 1.17,413 2.55,414 1.311,415 3.688,416 2.051,417 1.047,418 1.512,419 2.773,420 1.045,421 20.4,422 0.464,423 1.321,424 0.03,425 61.25,426 1.392,427 31.5,428 0.716,429 29.75,430 0.676,431 38.174,432 0.868,433 47.4,434 0.677,435 59.123,436 1.344,437 12.205,438 0.277,439 8.904,440 0.202,441 0.118,442 0.041,443 0.363,447 0.834,448 1.29,449 0.746,450 1.162,451 0.878,452 0.843,453 0.738,454 1.001,455 0.813,456 0.962,457 0.646,458 0.944,459 0.945,460 1.145,461 0.954,462 1.078,463 0.891,464 1.023,465 1.039,466 0.963,467 0.998,468 0.919,469 0.987,470 0.957,471 1.016,472 1.023,473 1.052,474 1.001,475 1.031,476 0.926,477 1.024,478 1.13,479 1.211,480 1.182,481 1.031,482 1.011,483 1.191,484 0.93,485 1.109,486 0.882,487 1.192,488 0.971,489 1.107,490 1.115,491 1.022,492 1.04,493 1.042,494 1.041,495 9.5,496 0.454,497 6.222,498 3.924,499 2.74,500 2.104,501 1.234,502 0.853,503 0.738,504 0.522,505 36571,506 116681,507 2.089,508 37.1,510 18,511 1,512 1,513 6,518 1.822,519 1.934,520 3.987,521 2.933,524 126.447,525 1.806,526 4.016,527 4.815,528 5.492,529 5.851,530 5.929,531 3.489,532 5.232,533 5.428,534 4.187,535 3961.17,536 9.611,537 74311.6,539 429.05,540 1.585,541 5.377,542 0.194,543 0.008,544 0.086,545 0.052,546 0.038,547 0.03,548 0.017,549 0.013,550 0.012,551 0.009,552 0.459,554 0.63,555 0.546,556 256.985,557 -0.085,558 -0.116,559 0.138,560 -0.057,561 -0.21,562 0.06,563 0.186,564 0.102,565 -0.029,566 -0.002,567 0.113,568 -0.063,569 0.053,570 -0.132,571 -0.012,572 -0.085,573 -0.011,574 -0.07,575 0.063,576 0.051,577 -0.01,578 0.032,579 0.077,580 -0.022,581 0.007,582 0.011,583 0.044,584 0.037,585 -0.06,586 0.041,587 0.085,588 -0.085,589 -0.088,590 -0.125,591 0.113,592 -0.069,593 -0.04,594 0.084,595 -0.134,596 0.035,597 -0.042,598 -0.053,599 -0.12,600 -0.106,601 -0.068,602 -0.083,603 -0.064,604 -0.081,605 5.602,606 5.398,607 0.727,608 62.905,609 1.031,610 1.125,611 3.353,612 11.245,613 0.685,614 3.912,615 4.29,616 4.585,617 4.868,618 5.088,619 5.22,620 5.398,621 5.572,622 5.717,623 5.852,624 9.563,625 0.676,626 618.68,627 3.912,628 5.493,629 6.365,630 7.269,631 8.156,632 9.065,633 9.959,634 10.871,635 11.771,636 12.684,637 8.6,640 1,643 1,644 1,646 3,650 2,651 14,652 3,653 7,654 1,655 28,659 1,663 1,666 70,667 31,668 3,669 49,671 75,672 29,673 23,674 5,675 13,676 1,677 6,678 7,683 3,686 3,688 24,689 5,691 3,693 1,694 3,697 1,700 26,701 13,702 6,703 15,704 1,706 1,707 6,711 0.833,712 8,714 2,715 1,717 1,721 2,722 4,730 2,731 1,732 5,733 1,739 44,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 11.4,755 2,756 1,757 3,758 2,761 22.75,762 11.983,763 9.389,764 3.732,765 5.021,766 1.54,767 0.958,768 8.152,769 14.323,770 4.205,771 4.858,772 5.421,773 6.024,774 6.554,775 6.897,776 7.381,777 7.834,778 8.22,779 8.639,780 1,781 75,782 17.06,783 8.275,784 8.134,785 29.97,786 25.307,787 2.634,788 115.917,789 235.422,790 169.876,791 101.558,793 217.053,795 7.511,796 162.364,797 452.475,798 101.558,800 20.997,801 248.966,802 208.853,803 19.113,804 14.099,805 211.88,807 235.422,808 263.922,809 217.053,810 7.511,812 237.75,813 112.141,814 104.912,815 35.375,816 175.863,817 57.868,819 235.422,820 318.611,821 169.876,823 7.511,824 235.422,825 30.555,826 133.709,827 16.405,828 300.307,829 235.422,830 318.611,831 169.876,833 0.596,834 0.352,835 0.189,836 0.099,837 36,838 17,839 0.107,840 8,841 1,842 1.063,843 5.187,844 471.216,845 0.063,846 32,847 234.215,848 1,849 29.808,850 12.033,851 6.089,852 0.436,853 316.712,854 23.953,855 13.276,856 2.255,857 1.361,858 177.352,859 723.909,860 66,862 -4.685,863 37.087,866 -1.124,867 72.142,868 78.737,869 0.295,870 0.655,871 0.786,872 0.896,873 0.955,874 0.967,875 5.472,876 1.943,877 6.392,878 7.867,879 4.977,880 5.547,881 2.31,882 7.265,883 4.897,884 6.715,885 1.904,886 7.997,887 5.917,888 4.745,889 5.551,891 8.377,892 4.638,893 8.06,894 1.88,895 9.705,896 5.163,897 6.666,898 7.837,899 2.87,900 11.444,901 6.515,902 9.444,903 1.587,904 11.473,905 4.984,906 7.238,907 8.658,909 13.336,910 7.053,911 10.861,912 1.518,913 13.277,914 4.749,915 8.666,916 10.461,917 3.593,918 15.958,919 8.445,920 12.301,921 1.414,922 15.105,923 3.891,924 9.574,925 11.642,927 18.146,928 9.314,929 13.758,930 1.22,931 16.95,932 3.07,933 10.826,934 13.262,935 4.417,936 20.625,937 10.531,938 3.318,939 1.047,940 18.807,941 2.997,942 11.878,943 14.611,945 22.937,946 11.541,947 3.235,948 11.664,949 20.673,950 2.773,951 13.066,952 16.158,953 5.291,954 25.37,955 12.694,956 3.059,957 11.105,958 22.546,959 4.624,960 14.18,961 17.587,963 27.738,964 13.766,965 2.905,966 10.252,967 24.424,968 4.489,969 15.348,970 19.106,971 6.188,972 30.159,973 14.896,974 2.881,975 9.482,976 26.307,977 3.964,978 16.49,979 20.575,981 32.556,982 15.997,983 2.615,984 9.415,985 28.194,986 3.899,987 17.654,988 22.086,989 7.095,990 34.976,991 17.122,992 2.359,993 8.585,994 30.084,995 3.53,996 18.81,997 23.576,999 37.389,1000 18.238,1001 33953,1002 60996,1003 32.422,1004 47.932,1005 75.498,1006 77.824,1007 77.456,1008 74.88,1009 74.858,1010 99.417,1011 7.2,1012 225.852,1013 71.778,1014 5.683,1015 6.473,1016 6.737,1017 5.369,1018 5.318,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 24.303,1024 1.541,1025 1.588,1026 1.581,1027 1.528,1028 1.528,1029 2.029,1030 0.147,1031 4.609,1032 1.465,1033 4.138,1034 4.181,1035 4.71,1036 4.004,1037 7.725,1038 4.015,1039 3.988,1040 4.001,1041 4.11,1042 3.895,1043 7.428,1044 3.89,1045 3.972,1046 3.975,1047 3.921,1048 3.866,1049 6.999,1050 3.865,1051 3.855,1052 3.854,1053 3.855,1054 3.764,1055 6.495,1056 3.704,1057 3.776,1058 3.779,1059 3.731,1060 3.683,1061 6.468,1062 3.66,1063 3.71,1064 3.725,1065 3.643,1066 3.567,1067 6.4,1068 3.561,1069 3.324,1070 3.399,1071 3.257,1072 3.101,1073 5.264,1074 3.129,1075 3.204,1076 3.227,1077 3.171,1078 2.991,1079 4.868,1080 3.013,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.252,1093 0.065,1094 3.318,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 2.004,1100 1.981,1101 2.094,1102 2.086,1103 1.204,1104 2.084,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.17,1110 2.006,1111 1.832,1112 1.797,1113 1.922,1114 1.979,1115 1.065,1116 1.961,1117 1.695,1118 1.677,1119 1.807,1120 1.859,1121 1.01,1122 1.869,1123 1.644,1124 1.658,1125 1.756,1126 1.833,1127 0.95,1128 1.83,1129 1.549,1130 1.526,1131 1.642,1132 1.771,1133 0.742,1134 1.756,1135 1.441,1136 1.418,1137 1.365,1138 1.682,1139 0.569,1140 1.679,1141 1.13,1142 1.082,1143 1.318,1144 1.422,1145 0.406,1146 1.394,1147 4.595,1149 5.958,1150 3.045,1151 7.507,1152 5.476,1153 9.136,1154 7.627,1155 10.807,1161 6.215,1162 31.283,1163 -0.751,1164 1.674,1165 10.638,1166 -5.7,1170 47.302,1171 126.447,1172 281.112,1173 337.07,1174 384.421,1175 409.54,1176 415.05,1177 115.492,1178 9.302,1179 212.01,1180 220.39,1181 34,1182 13.2,1183 5,1184 4.17,1185 66.239,1186 251,1187 254,1188 0.125,1189 287.471,1190 499.47,1191 693.189,1192 187418,1194 31.009,1195 0.705,1196 0.536,1197 31.259,1198 23.573,1199 21.109,1200 0.431,1201 0.3,1202 13.151,1203 19.41,1204 12.885,1205 10.559,1206 21.963,1207 14.689,1208 20.05,1209 0.278,1210 0.157,1211 21.359,1212 11.285,1213 17,1214 0.175,1215 0.082,1216 17.848,1217 7.923,1218 14.365,1219 0.111,1220 0.043,1221 15.216,1222 5.548,1223 11.189,1224 0.069,1225 0.023,1226 11.937,1227 3.744,1228 0.201,1229 142.647,1230 0.176,1231 39.03,1232 0.333,1233 242,1234 826.213,1235 308.996,1236 802.941,1237 1081.99,1238 742,1239 290,1240 761.687,1241 369.427,1242 801.506,1243 1186.23,1244 753,1245 8.854}
{0 CHEMBL218023,1 1.919,2 12.563,3 -1.122,4 1.26,5 108.752,6 8.933,7 0.457,8 4.113,9 4.201,10 3.934,11 3.555,12 5.342,13 3.589,14 4.649,15 4.767,16 4.25,17 3.968,18 6.111,19 3.986,20 4.93,21 5.091,22 4.33,23 4.103,24 6.219,25 4.096,26 5.062,27 5.242,28 4.346,29 4.088,30 6.552,31 4.072,32 4.982,33 5.179,34 4.3,35 4.037,36 6.238,37 3.999,38 4.931,39 5.089,40 4.293,41 3.912,42 6.556,43 3.933,44 4.835,45 5.017,46 4.015,47 3.778,48 6.35,49 3.77,50 4.626,51 4.812,52 3.863,53 3.67,54 6.015,55 3.638,56 0.353,57 0.831,58 11.512,59 4.388,60 58.005,61 4.535,62 0.944,63 1.28,64 17.786,65 7.592,66 113.125,67 8.458,68 1.136,69 1.502,70 29.555,71 10.416,72 157.757,73 12.005,74 1.843,75 1.527,76 36.832,77 10.72,78 258.088,79 12.469,80 1.411,81 1.442,82 40.164,83 10.605,84 181.767,85 12.029,86 1.693,87 1.29,88 37.518,89 9.106,90 267.175,91 9.939,92 1.57,93 1.11,94 31.064,95 8.055,96 219.315,97 9.098,98 1.109,99 0.961,100 25.136,101 7.087,102 159.804,103 8.195,104 50,105 52,106 0.317,107 0.727,108 0.867,109 0.905,110 0.918,111 0.918,112 3.502,113 0.932,114 -2.7,115 -2.71,116 -2.64,119 34.6,121 1,122 1,125 1,127 3,134 4,135 1,136 1,139 1,140 1,141 1,144 1,147 1,149 1,152 1,153 1,154 1,157 5,159 6,160 3,162 1,163 5,165 4,166 4,168 2,169 3,170 1,171 2,172 1,173 6,175 2,177 4,178 8,180 2,181 5,182 1,183 4,187 1,188 9,190 2,192 3,195 1,198 9,201 8,202 2,203 1,205 1,206 1,208 1,211 3,212 4,215 5,216 2,219 1,220 2,223 2,226 1,227 2,229 2,232 3,234 3,235 1,238 2,240 3,243 3,246 1728,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.087,254 11.861,255 21.341,256 17.19,257 17.19,258 17.19,259 17.19,260 17.19,261 13.502,262 20.205,263 5.555,264 17.952,265 3.782,266 1.303,267 0.462,268 0.231,269 0.154,270 0.154,271 4.188,276 869,277 4.123,280 168.856,281 216.456,282 141.866,284 1.902,285 68.618,286 0.5,287 0.5,288 0.67,289 0.6,291 0.5,292 0.5,293 0.47,294 74,295 402,296 4.705,297 4.473,298 6.981,299 4.269,300 3.318,301 4.597,302 1.579,303 11.826,304 3.213,305 4.66,306 3.555,307 6.765,308 4.22,309 3.234,310 4.489,311 0.98,312 11.105,313 3.13,314 4.278,315 3.443,316 6.543,317 3.953,318 2.996,319 3.899,321 10.144,322 2.868,323 4.117,324 3.104,325 6.341,326 3.872,327 2.881,328 3.216,330 9.48,331 2.842,332 3.486,333 2.677,334 5.746,335 3.198,336 2.258,337 2.815,339 7.46,340 2.121,341 3.405,342 2.419,343 5.041,344 2.926,345 1.992,346 2.699,347 5.68,348 1.906,349 3.356,350 2.087,351 5.005,352 2.908,353 1.927,354 2.592,355 5.321,356 1.827,357 2.922,358 2.009,359 4.861,360 2.715,361 1.778,362 2.015,363 5.135,364 1.654,365 2.861,366 1.543,367 4.415,368 2.392,369 1.414,370 1.984,371 3.778,372 1.377,373 2.687,374 1.54,375 3.896,376 2.328,377 1.4,378 1.729,379 3.07,380 1.294,381 2.55,382 1.364,383 3.83,384 2.051,385 1.047,386 1.512,387 2.662,388 1.046,389 2.402,390 1.311,391 3.605,392 1.961,393 1.035,394 1.374,395 2.615,396 0.955,397 2.096,398 1.113,399 3.44,400 1.642,401 0.745,402 0.979,403 1.808,404 0.666,405 1.772,406 0.854,407 3.32,408 1.588,409 0.688,410 0.728,411 1.677,412 0.612,413 1.095,414 0.657,415 2.937,416 0.85,417 -0.031,418 -0.032,419 -0.073,420 -0.027,421 14.567,422 0.455,423 1.082,424 0.034,425 41.75,426 1.305,427 19.5,428 0.609,429 22.25,430 0.695,431 27.316,432 0.854,433 36.433,434 0.701,435 36.657,436 1.146,437 8.075,438 0.252,439 7.101,440 0.222,441 0.165,442 0.057,443 0.371,447 0.862,448 1.513,449 0.771,450 1.312,451 0.882,452 0.901,453 0.661,454 1.031,455 0.792,456 0.973,457 0.603,458 0.966,459 0.936,460 1.216,461 0.948,462 1.199,463 0.889,464 1.117,465 1.1,466 0.934,467 1.018,468 0.895,469 1.013,470 0.988,471 1.127,472 1.009,473 1.233,474 1.134,475 1.077,476 0.978,477 1.199,478 1.061,479 1.352,480 1.233,481 1.261,482 1.035,483 1.326,484 0.736,485 1.21,486 0.862,487 1.357,488 1.005,489 1.221,490 0.833,491 1.12,492 0.921,493 1.29,494 0.989,495 7.5,496 0.229,497 4.889,498 3.576,499 2.216,500 1.406,501 1.017,502 0.475,503 0.364,504 0.373,505 14377,506 51993,507 2.019,508 38.5,510 9,512 2,513 6,515 2,516 1,518 1.743,519 1.837,520 3.578,521 3.353,524 99.764,525 1.919,526 4.397,527 5.239,528 5.47,529 5.547,530 5.547,531 2.996,532 4.875,533 4.975,534 3.778,535 1873.75,536 8.692,537 27535.5,539 296.423,540 1.693,541 4.896,542 0.214,543 0.007,544 0.094,545 0.067,546 0.044,547 0.031,548 0.022,549 0.014,550 0.012,551 0.012,552 0.518,553 0.17,554 0.75,555 0.636,556 168.666,557 -0.124,558 -0.219,559 0.154,560 -0.092,561 -0.203,562 0.062,563 0.191,564 0.139,565 -0.015,566 0.026,567 0.15,568 -0.039,569 -0.048,570 -0.184,571 -0.023,572 -0.172,573 -0.044,574 -0.117,575 -0.011,577 -0.024,578 0.052,579 0.048,580 -0.027,581 -0.145,582 -0.025,583 -0.016,584 -0.014,585 -0.132,586 0.038,587 0.013,588 -0.083,589 -0.149,590 -0.145,591 0.052,592 -0.098,593 -0.111,594 0.166,595 -0.182,596 0.054,597 -0.099,598 -0.078,599 -0.145,600 0.092,601 -0.071,602 0.075,603 -0.157,605 5.466,606 5.172,607 0.625,608 31.625,609 1.042,610 1.14,611 1.468,612 2.155,613 0.658,614 3.584,615 3.97,616 4.248,617 4.522,618 4.673,619 4.762,620 4.852,621 4.977,622 4.977,623 5.017,624 7.424,625 0.654,626 464.51,627 3.584,628 5.165,629 6.033,630 6.942,631 7.827,632 8.739,633 9.631,634 10.545,635 11.442,636 12.356,637 11.5,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 52,667 19,668 1,669 35,671 55,672 18,673 11,674 2,675 4,676 1,677 4,678 5,683 4,684 1,686 4,688 12,689 6,690 1,691 3,693 1,694 3,697 1,698 1,700 20,701 12,702 6,703 14,704 1,706 1,707 6,711 0.75,712 7,714 2,717 1,721 2,722 2,730 2,732 3,733 1,739 32,740 1,742 1,743 3,744 2,745 1,746 1,747 4,754 13.5,755 2,756 1,757 3,758 1,761 17.417,762 8.65,763 6.833,764 2.696,765 2.831,766 1.362,767 0.908,768 6.134,769 10.648,770 3.85,771 4.497,772 5.008,773 5.583,774 5.995,775 6.238,776 6.541,777 6.861,778 6.859,779 6.989,780 1,781 53,782 12.483,783 6.146,784 8.352,785 21.497,786 18.231,787 2.852,788 91.25,789 164.795,790 83.858,791 101.558,793 206.053,795 7.511,796 76.347,797 370.849,798 101.558,800 23.532,801 163.68,802 207.909,803 15.419,804 4.472,805 141.253,807 164.795,808 177.905,809 206.053,810 7.511,812 131.197,813 147.455,814 93.912,815 42.668,816 83.164,817 57.868,819 164.795,820 307.611,821 83.858,823 7.511,824 164.795,825 21.205,826 57.041,827 16.405,828 289.307,829 164.795,830 307.611,831 83.858,833 0.601,834 0.355,835 0.189,836 0.094,837 26,838 13,839 0.109,840 6,841 1,842 1.1,843 4.185,844 296.672,845 0.1,846 20,847 158,848 1,849 22.541,850 8.708,851 4.478,852 0.696,853 305.712,854 8.061,855 12.004,856 -0.501,857 1.535,858 177.352,859 556.265,860 46,862 -4.549,863 36.448,866 -1.076,867 54.164,868 59.282,869 0.337,870 0.771,871 0.919,872 0.96,873 0.973,874 0.973,875 5.13,876 1.778,877 6.08,878 5.321,879 4.654,880 5.185,881 2.068,882 6.971,883 4.57,884 6.38,885 1.414,886 7.701,887 5.135,888 4.511,889 5.316,891 8.162,892 4.416,893 7.74,894 1.4,895 9.427,896 3.778,897 6.372,898 7.5,899 2.727,900 11.217,901 6.224,902 9.139,903 1.047,904 11.212,905 3.07,906 7.013,907 8.436,909 13.175,910 6.852,911 10.571,912 1.035,913 13.034,914 2.662,915 8.412,916 10.18,917 3.52,918 15.805,919 8.209,920 12.027,921 0.745,922 14.879,923 2.615,924 9.369,925 11.444,927 18.043,928 9.144,929 13.499,930 0.688,931 16.74,932 1.808,933 10.613,934 13.038,935 4.383,936 20.54,937 10.352,938 3.318,939 -0.031,940 18.614,941 1.677,942 11.696,943 14.439,945 22.89,946 11.407,947 3.234,948 11.826,949 20.496,950 -0.073,951 12.888,952 15.979,953 5.276,954 25.343,955 12.565,956 2.996,957 11.105,958 22.385,959 4.597,960 14.021,961 17.44,963 27.741,964 13.668,965 2.881,966 10.144,967 24.28,968 4.489,969 15.197,970 18.96,971 6.182,972 30.182,973 14.811,974 2.258,975 9.48,976 26.179,977 3.899,978 16.353,979 20.447,981 32.603,982 15.935,983 1.992,984 7.46,985 28.081,986 3.216,987 17.525,988 21.96,989 7.092,990 35.043,991 17.075,992 1.927,993 5.68,994 29.986,995 2.815,996 18.691,997 23.46,999 37.476,1000 18.208,1001 13723,1002 26263,1003 22.482,1004 34.193,1005 53.794,1006 55.969,1007 56.379,1008 53.406,1009 53.424,1010 69.255,1011 5.118,1012 163.523,1013 51.023,1014 5.683,1015 6.473,1016 6.666,1017 5.346,1018 5.318,1019 7.597,1020 3.158,1021 19.514,1022 5.213,1023 19.432,1024 1.537,1025 1.599,1026 1.611,1027 1.526,1028 1.526,1029 1.979,1030 0.146,1031 4.672,1032 1.458,1033 4.124,1034 4.173,1035 4.71,1036 3.955,1037 7.725,1038 3.975,1039 3.988,1040 3.978,1041 4.088,1042 3.879,1043 7.428,1044 3.863,1045 3.865,1046 3.884,1047 3.856,1048 3.769,1049 6.999,1050 3.725,1051 3.782,1052 3.76,1053 3.74,1054 3.661,1055 6.494,1056 3.608,1057 3.329,1058 3.41,1059 3.255,1060 3.074,1061 6.468,1062 3.106,1063 3.207,1064 3.235,1065 3.171,1066 2.985,1067 6.4,1068 3.009,1069 3.091,1070 3.13,1071 2.986,1072 2.864,1073 5.266,1074 2.869,1075 3.012,1076 3.096,1077 2.893,1078 2.746,1079 4.87,1080 2.749,1081 0.134,1082 0.128,1083 0.199,1084 0.122,1085 0.095,1086 4.705,1087 0.131,1088 4.473,1089 0.045,1090 6.981,1091 0.338,1092 4.269,1093 0.092,1094 3.318,1095 4.597,1096 1.579,1097 11.826,1098 3.213,1099 1.897,1100 1.883,1101 1.991,1102 2.022,1103 1.293,1104 2.008,1105 1.824,1106 1.778,1107 1.913,1108 2.005,1109 1.169,1110 1.987,1111 1.686,1112 1.694,1113 1.834,1114 1.876,1115 1.064,1116 1.89,1117 1.577,1118 1.529,1119 1.712,1120 1.809,1121 0.793,1122 1.785,1123 1.502,1124 1.518,1125 1.367,1126 1.707,1127 0.608,1128 1.728,1129 1.178,1130 1.11,1131 1.342,1132 1.465,1133 0.412,1134 1.439,1135 1.043,1136 1.042,1137 1.235,1138 1.301,1139 0.32,1140 1.274,1141 0.883,1142 0.839,1143 1.143,1144 1.224,1145 0.195,1146 1.212,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.809,1154 7.627,1155 10.48,1161 5.886,1162 30.617,1163 -0.373,1164 1.692,1165 4.854,1166 -4.044,1170 34.007,1171 99.764,1172 228.648,1173 272.423,1174 284.423,1175 288.423,1176 288.423,1177 99.183,1178 7.817,1179 202.78,1180 211.16,1181 22,1182 12.872,1183 4.322,1184 3.585,1185 52.029,1186 144,1187 132,1188 0.175,1189 210.31,1190 362.74,1191 504.917,1192 28622,1194 23.043,1195 0.72,1196 0.539,1197 23.293,1198 17.253,1199 15.176,1200 0.434,1201 0.311,1202 9.363,1203 13.566,1204 9.168,1205 7.495,1206 16.03,1207 10.871,1208 14.675,1209 0.282,1210 0.167,1211 15.984,1212 8.662,1213 12.149,1214 0.176,1215 0.09,1216 12.997,1217 6.208,1218 10.193,1219 0.112,1220 0.049,1221 11.044,1222 4.482,1223 7.429,1224 0.07,1225 0.028,1226 8.178,1227 2.988,1228 0.278,1229 106.326,1230 0.211,1231 29.974,1232 0.472,1233 174,1234 646.477,1235 236.011,1236 626.655,1237 827.21,1238 574,1239 208,1240 563.528,1241 280.947,1242 600.487,1243 881.98,1244 561,1245 8.638}
{0 CHEMBL218683,1 1.957,2 12.563,3 -1.601,4 2.563,5 106.695,6 9.127,7 0.457,8 4.105,9 4.196,10 3.933,11 3.521,12 5.354,13 3.567,14 4.631,15 4.75,16 4.258,17 3.919,18 6.094,19 3.955,20 4.91,21 5.06,22 4.346,23 4.031,24 6.298,25 4.051,26 4.981,27 5.152,28 4.349,29 4.005,30 6.5,31 4.019,32 4.941,33 5.129,34 4.314,35 3.971,36 6.307,37 3.955,38 4.883,39 5.047,40 4.279,41 3.875,42 6.496,43 3.897,44 4.815,45 4.997,46 4.017,47 3.766,48 6.366,49 3.76,50 4.638,51 4.841,52 3.864,53 3.666,54 5.989,55 3.632,56 0.388,57 0.835,58 10.689,59 3.879,60 59.026,61 4.082,62 0.903,63 1.25,64 17.672,65 7.055,66 103.253,67 7.538,68 1.434,69 1.403,70 28.894,71 9.28,72 175.244,73 10.334,74 1.687,75 1.407,76 32.448,77 9.101,78 230.22,79 10.456,80 1.558,81 1.33,82 35.334,83 9.256,84 189.693,85 10.565,86 1.591,87 1.223,88 36.017,89 8.664,90 246.26,91 9.838,92 1.593,93 1.103,94 29.079,95 7.283,96 221.611,97 8.343,98 1.089,99 0.971,100 25.238,101 7.041,102 154.585,103 8.43,104 50,105 52,106 0.325,107 0.729,108 0.861,109 0.909,110 0.922,111 0.922,112 3.502,113 0.917,114 -2.16,115 -2.2,116 -2.18,119 33.3,125 1,127 3,128 1,134 4,135 1,136 1,139 1,140 1,141 1,144 1,147 1,149 1,152 1,153 1,154 1,157 4,159 5,160 1,162 1,163 6,164 1,165 3,166 4,168 2,169 1,170 1,171 5,172 1,173 3,175 2,177 4,178 4,180 2,181 5,182 2,183 4,187 4,188 3,189 1,190 4,191 1,192 2,198 4,201 7,202 3,203 2,205 1,211 3,212 3,215 6,216 2,217 1,219 1,224 1,227 3,228 1,229 1,231 1,234 3,235 3,238 3,240 2,246 1728,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.618,254 11.861,255 21.43,256 17.19,257 17.19,258 17.19,259 17.19,260 17.19,261 13.502,262 25.43,263 5.555,264 18.127,265 3.716,266 1.28,267 0.485,268 0.196,269 0.118,270 0.118,271 4.188,276 869,277 4.123,280 168.856,281 216.456,282 141.866,284 1.902,285 69.657,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 74.5,295 402,296 4.705,297 3.637,298 6.981,299 4.254,300 3.318,301 4.597,302 1.041,303 11.826,304 3.217,305 4.66,306 3.589,307 6.765,308 4.217,309 3.234,310 4.489,311 0.98,312 11.105,313 3.065,314 4.278,315 3.161,316 6.543,317 3.937,318 2.996,319 3.899,321 10.144,322 2.861,323 4.117,324 3.095,325 6.341,326 3.871,327 2.881,328 3.216,330 9.48,331 2.796,332 3.486,333 2.663,334 5.746,335 3.183,336 2.258,337 2.815,339 7.46,340 2.082,341 3.405,342 2.49,343 5.041,344 2.927,345 1.992,346 2.699,347 5.68,348 1.907,349 3.356,350 2.208,351 5.005,352 2.907,353 1.927,354 2.592,355 5.321,356 1.825,357 2.922,358 2.065,359 4.861,360 2.693,361 1.778,362 2.015,363 5.135,364 1.617,365 2.861,366 1.636,367 4.415,368 2.392,369 1.414,370 1.984,371 3.778,372 1.377,373 2.687,374 1.543,375 3.896,376 2.293,377 1.4,378 1.729,379 3.07,380 1.246,381 2.55,382 1.311,383 3.83,384 2.052,385 1.047,386 1.512,387 2.662,388 1.046,389 2.402,390 1.194,391 3.605,392 1.944,393 1.035,394 1.374,395 2.615,396 0.936,397 2.096,398 1.119,399 3.44,400 1.649,401 0.745,402 0.979,403 1.808,404 0.671,405 1.772,406 0.84,407 3.32,408 1.587,409 0.688,410 0.728,411 1.677,412 0.615,413 1.095,414 0.567,415 2.937,416 0.834,417 -0.031,418 -0.032,419 -0.073,420 -0.026,421 14.467,422 0.452,423 1.082,424 0.034,425 42,426 1.313,427 19.5,428 0.609,429 22.5,430 0.703,431 26.341,432 0.823,433 36.533,434 0.716,435 37.632,436 1.176,437 8.345,438 0.261,439 6.831,440 0.213,441 0.166,442 0.058,443 0.373,447 0.921,448 1.588,449 0.788,450 1.3,451 0.902,452 0.88,453 0.782,454 1.04,455 0.902,456 1.053,457 0.672,458 0.965,459 1.047,460 1.151,461 0.99,462 1.113,463 0.998,464 1.053,465 1.114,466 1.015,467 1.021,468 0.972,469 1.006,470 1.015,471 1.06,472 0.9,473 1.134,474 1.025,475 1.126,476 0.971,477 1.075,478 1.147,479 1.283,480 1.28,481 1.105,482 1.026,483 1.235,484 0.778,485 1.25,486 0.872,487 1.372,488 1.06,489 1.107,490 0.852,491 1.075,492 0.976,493 1.143,494 1.024,495 7.5,496 0.229,497 4.889,498 3.576,499 2.216,500 1.406,501 1.017,502 0.475,503 0.364,504 0.373,505 14377,506 53259,507 2.019,508 37.3,510 9,511 1,512 2,513 7,518 1.743,519 1.837,520 3.578,521 4.248,524 99.793,525 1.957,526 4.392,527 5.187,528 5.476,529 5.555,530 5.555,531 2.996,532 4.875,533 4.975,534 3.778,535 1873.75,536 8.692,537 27535.5,539 289.294,540 1.693,541 4.896,542 0.214,543 0.007,544 0.094,545 0.067,546 0.044,547 0.031,548 0.022,549 0.014,550 0.012,551 0.012,552 0.518,553 0.17,554 0.63,555 0.636,556 168.666,557 -0.178,558 -0.277,559 0.128,560 -0.079,561 -0.224,562 0.069,563 0.08,564 0.159,565 -0.074,566 -0.018,567 0.084,568 -0.054,569 -0.036,570 -0.138,571 -0.044,572 -0.097,573 -0.069,574 -0.084,575 -0.044,576 -0.052,577 -0.034,578 -0.02,579 0.041,580 -0.07,581 -0.037,582 0.072,583 0.014,584 0.034,585 -0.112,586 0.017,587 0.052,588 -0.18,589 -0.067,590 -0.156,591 0.114,592 -0.047,593 -0.097,594 0.146,595 -0.239,596 0.036,597 -0.103,598 -0.138,599 -0.136,600 0.071,601 -0.025,602 0.019,603 -0.119,605 5.296,606 5.228,607 0.625,608 31.625,609 1.047,610 1.144,611 0.931,612 0.866,613 0.656,614 3.584,615 3.97,616 4.248,617 4.522,618 4.673,619 4.762,620 4.852,621 4.977,622 4.977,623 5.017,624 7.424,625 0.657,626 465.5,627 3.584,628 5.165,629 6.033,630 6.942,631 7.827,632 8.739,633 9.631,634 10.545,635 11.442,636 12.356,637 13.7,639 1,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 51,667 19,668 1,669 35,671 54,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 19,701 13,702 7,703 15,704 1,706 1,707 7,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,740 1,741 1,743 3,744 1,745 2,746 1,747 4,754 13.7,755 2,756 1,757 3,758 1,761 17.417,762 8.4,763 6.833,764 2.529,765 2.831,766 1.362,767 0.915,768 6.108,769 10.648,770 3.85,771 4.497,772 5.008,773 5.583,774 5.995,775 6.238,776 6.541,777 6.861,778 6.859,779 6.989,780 1,781 53,782 12.414,783 6.107,784 8.383,785 21.313,786 17.925,787 2.883,788 92.25,789 141.253,790 76.894,791 117.963,793 208.508,795 5.569,796 71.325,797 349.761,798 117.963,800 18.511,801 178.143,802 210.363,803 15.419,804 16.243,805 105.94,807 141.253,808 189.288,809 208.508,810 5.569,812 142.969,813 112.141,814 96.367,815 54.052,816 83.164,817 55.926,819 141.253,820 326.471,821 76.894,823 5.569,824 141.253,825 16.183,826 57.041,827 32.81,828 291.762,829 141.253,830 326.471,831 76.894,833 0.601,834 0.355,835 0.189,836 0.094,837 26,838 13,839 0.111,840 6,841 1,842 1.1,843 4.185,844 296.672,845 0.1,846 20,847 158,848 1,849 22.504,850 8.685,851 4.463,852 0.527,853 324.572,854 7.929,855 11.853,856 -0.553,857 1.34,858 193.757,859 544.618,860 46,862 -4.379,863 36.568,866 -1.054,867 53.382,868 58.365,869 0.345,870 0.774,871 0.914,872 0.965,873 0.979,874 0.979,875 5.13,876 1.778,877 6.08,878 5.321,879 4.654,880 5.185,881 1.627,882 6.971,883 4.551,884 6.38,885 1.414,886 7.701,887 5.135,888 4.511,889 5.316,891 8.162,892 4.388,893 7.74,894 1.4,895 9.427,896 3.778,897 6.372,898 7.5,899 1.647,900 11.217,901 6.187,902 9.139,903 1.047,904 11.212,905 3.07,906 7.013,907 8.436,909 13.175,910 6.806,911 10.571,912 1.035,913 13.034,914 2.662,915 8.412,916 10.18,917 1.67,918 15.805,919 8.156,920 12.027,921 0.745,922 14.879,923 2.615,924 9.369,925 11.444,927 18.043,928 9.083,929 13.499,930 0.688,931 16.74,932 1.808,933 10.613,934 13.038,935 1.697,936 20.54,937 10.284,938 3.318,939 -0.031,940 18.614,941 1.677,942 11.696,943 14.439,945 22.89,946 11.332,947 3.234,948 11.826,949 20.496,950 -0.073,951 12.888,952 15.979,953 1.726,954 25.343,955 12.484,956 2.996,957 11.105,958 22.385,959 4.597,960 14.021,961 17.44,963 27.741,964 13.582,965 2.881,966 10.144,967 24.28,968 4.489,969 15.197,970 18.96,971 1.758,972 30.182,973 14.719,974 2.258,975 9.48,976 26.179,977 3.899,978 16.353,979 20.447,981 32.603,982 15.838,983 1.992,984 7.46,985 28.081,986 3.216,987 17.525,988 21.96,989 1.794,990 35.043,991 16.973,992 1.927,993 5.68,994 29.986,995 2.815,996 18.691,997 23.46,999 37.476,1000 18.102,1001 13723,1002 26571,1003 22.482,1004 33.438,1005 53.794,1006 55.444,1007 56.379,1008 53.41,1009 53.424,1010 69.255,1011 4.042,1012 163.523,1013 50.52,1014 5.683,1015 5.637,1016 6.666,1017 5.367,1018 5.318,1019 7.597,1020 2.082,1021 19.514,1022 5.217,1023 19.432,1024 1.537,1025 1.584,1026 1.611,1027 1.526,1028 1.526,1029 1.979,1030 0.115,1031 4.672,1032 1.443,1033 4.113,1034 4.16,1035 4.716,1036 3.94,1037 7.72,1038 3.953,1039 4,1040 3.996,1041 4.082,1042 3.883,1043 7.428,1044 3.867,1045 3.865,1046 3.875,1047 3.856,1048 3.787,1049 6.999,1050 3.716,1051 3.752,1052 3.754,1053 3.709,1054 3.574,1055 6.495,1056 3.571,1057 3.332,1058 3.413,1059 3.257,1060 3.081,1061 6.468,1062 3.111,1063 3.221,1064 3.269,1065 3.173,1066 2.992,1067 6.4,1068 3.019,1069 3.089,1070 3.13,1071 2.998,1072 2.872,1073 5.268,1074 2.872,1075 2.999,1076 3.083,1077 2.887,1078 2.746,1079 4.876,1080 2.749,1081 0.134,1082 0.104,1083 0.199,1084 0.122,1085 0.095,1086 4.705,1087 0.131,1088 3.637,1089 0.03,1090 6.981,1091 0.338,1092 4.254,1093 0.092,1094 3.318,1095 4.597,1096 1.041,1097 11.826,1098 3.217,1099 1.899,1100 1.885,1101 1.991,1102 2.014,1103 1.195,1104 2.017,1105 1.808,1106 1.763,1107 1.861,1108 2.01,1109 1.068,1110 1.973,1111 1.7,1112 1.708,1113 1.801,1114 1.894,1115 1.037,1116 1.916,1117 1.547,1118 1.52,1119 1.644,1120 1.791,1121 0.779,1122 1.764,1123 1.434,1124 1.405,1125 1.397,1126 1.683,1127 0.627,1128 1.674,1129 1.148,1130 1.093,1131 1.322,1132 1.447,1133 0.389,1134 1.42,1135 1.032,1136 1.02,1137 1.179,1138 1.307,1139 0.223,1140 1.276,1141 0.883,1142 0.839,1143 1.141,1144 1.215,1145 0.156,1146 1.203,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.809,1154 7.627,1155 10.48,1161 5.843,1162 30.435,1163 -0.475,1164 3.823,1165 5.63,1166 -5.235,1170 33.501,1171 99.793,1172 224.009,1173 264.539,1174 279.294,1175 283.294,1176 283.294,1177 96.179,1178 7.817,1179 214.81,1180 223.19,1181 22,1182 12.872,1183 4.322,1184 3.585,1185 52.029,1186 144,1187 132,1188 0.175,1189 207.512,1190 356.44,1191 498.09,1192 28622,1194 23.043,1195 0.72,1196 0.533,1197 23.293,1198 17.046,1199 15.176,1200 0.434,1201 0.306,1202 9.108,1203 13.503,1204 8.934,1205 7.287,1206 16.03,1207 10.704,1208 14.675,1209 0.282,1210 0.162,1211 15.984,1212 8.429,1213 12.149,1214 0.176,1215 0.085,1216 12.997,1217 5.856,1218 10.193,1219 0.112,1220 0.045,1221 11.044,1222 4.1,1223 7.429,1224 0.07,1225 0.025,1226 8.178,1227 2.699,1228 0.278,1229 106.716,1230 0.211,1231 29.974,1232 0.472,1233 174,1234 660.81,1235 237.901,1236 638.8,1237 842.93,1238 586,1239 208,1240 576.317,1241 283,1242 608.193,1243 896.32,1244 569,1245 8.432}
{0 CHEMBL220160,1 1.963,2 12.563,3 -1.335,4 1.781,5 105.014,6 9.33,7 0.457,8 4.093,9 4.17,10 3.943,11 3.501,12 5.354,13 3.559,14 4.623,15 4.725,16 4.265,17 3.888,18 6.133,19 3.941,20 4.869,21 5,22 4.348,23 3.998,24 6.277,25 4.031,26 4.955,27 5.109,28 4.358,29 3.969,30 6.514,31 4,32 4.905,33 5.076,34 4.319,35 3.926,36 6.3,37 3.927,38 4.839,39 4.977,40 4.286,41 3.822,42 6.498,43 3.87,44 4.769,45 4.928,46 4.022,47 3.697,48 6.36,49 3.722,50 4.571,51 4.747,52 3.869,53 3.605,54 5.985,55 3.594,56 0.416,57 0.793,58 10.184,59 4.103,60 63.609,61 3.855,62 1.08,63 1.186,64 15.951,65 6.911,66 116.955,67 6.944,68 1.498,69 1.345,70 26.438,71 9.191,72 172.443,73 9.572,74 1.819,75 1.351,76 30.507,77 9.04,78 242.656,79 9.63,80 1.66,81 1.261,82 33.642,83 9.129,84 190.854,85 9.751,86 1.666,87 1.143,88 33.705,89 8.603,90 248.83,91 8.846,92 1.674,93 1.012,94 27.223,95 7.105,96 225.019,97 7.207,98 1.146,99 0.895,100 22.59,101 6.539,102 157.268,103 7.242,104 50,105 52,106 0.327,107 0.734,108 0.858,109 0.907,110 0.921,111 0.921,112 3.502,113 0.902,114 -2.16,115 -2.2,116 -2.18,119 34,125 1,127 3,128 1,134 4,135 1,136 1,139 1,140 1,141 1,144 1,147 1,149 1,152 1,153 1,154 1,157 4,159 7,160 1,162 1,163 5,165 3,166 4,168 3,169 1,170 1,171 4,172 1,173 3,175 2,177 5,178 5,180 2,181 5,182 1,183 3,187 5,188 4,189 1,190 4,192 1,198 6,201 8,202 2,205 1,211 4,212 4,215 5,216 2,219 1,223 2,224 1,226 1,227 2,229 1,234 3,235 3,238 3,240 2,246 1728,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.718,254 11.861,255 21.448,256 17.19,257 17.19,258 17.19,259 17.19,260 17.19,261 13.502,262 25.961,263 5.555,264 18.164,265 3.681,266 1.241,267 0.495,268 0.2,269 0.12,270 0.12,271 4.188,276 869,277 4.123,280 168.856,281 216.456,282 141.866,284 1.902,285 71.185,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 75,295 402,296 4.705,297 4.473,298 6.981,299 4.252,300 3.318,301 4.597,302 1.579,303 11.826,304 3.209,305 4.66,306 3.591,307 6.765,308 4.216,309 3.234,310 4.489,311 1.041,312 11.105,313 3.064,314 4.278,315 3.552,316 6.543,317 3.936,318 2.996,319 3.899,320 0.98,321 10.144,322 2.858,323 4.117,324 3.143,325 6.341,326 3.871,327 2.881,328 3.216,330 9.48,331 2.795,332 3.486,333 2.677,334 5.746,335 3.181,336 2.258,337 2.815,339 7.46,340 2.076,341 3.405,342 2.501,343 5.041,344 2.926,345 1.992,346 2.699,347 5.68,348 1.906,349 3.356,350 2.226,351 5.005,352 2.907,353 1.927,354 2.592,355 5.321,356 1.825,357 2.922,358 2.065,359 4.861,360 2.688,361 1.778,362 2.015,363 5.135,364 1.607,365 2.861,366 1.638,367 4.415,368 2.392,369 1.414,370 1.984,371 3.778,372 1.377,373 2.687,374 1.543,375 3.896,376 2.292,377 1.4,378 1.729,379 3.07,380 1.244,381 2.55,382 1.469,383 3.83,384 2.051,385 1.047,386 1.512,387 2.662,388 1.045,389 2.402,390 1.311,391 3.605,392 1.943,393 1.035,394 1.374,395 2.615,396 0.936,397 2.096,398 1.16,399 3.44,400 1.641,401 0.745,402 0.979,403 1.808,404 0.665,405 1.772,406 0.875,407 3.32,408 1.553,409 0.688,410 0.728,411 1.677,412 0.589,413 1.095,414 0.742,415 2.937,416 0.829,417 -0.031,418 -0.032,419 -0.073,420 -0.026,421 14.4,422 0.45,423 1.082,424 0.034,425 42.25,426 1.32,427 19.5,428 0.609,429 22.75,430 0.711,431 25.911,432 0.81,433 36.6,434 0.732,435 38.062,436 1.189,437 8.457,438 0.264,439 6.719,440 0.21,441 0.167,442 0.058,443 0.375,447 0.912,448 1.566,449 0.758,450 1.355,451 0.915,452 0.89,453 0.807,454 0.997,455 0.809,456 0.947,457 0.666,458 0.92,459 1.015,460 1.176,461 0.985,462 1.143,463 0.944,464 1.069,465 1.099,466 0.999,467 1.028,468 0.981,469 1.014,470 1.019,471 1.063,472 0.883,473 1.136,474 1.019,475 1.093,476 0.948,477 1.127,478 1.139,479 1.318,480 1.329,481 1.127,482 1.038,483 1.352,484 0.724,485 1.289,486 0.856,487 1.427,488 1.031,489 1.155,490 0.888,491 1.117,492 0.982,493 1.215,494 1.027,495 7.5,496 0.229,497 4.889,498 3.576,499 2.216,500 1.406,501 1.017,502 0.475,503 0.364,504 0.373,505 14377,506 54469,507 2.019,508 36,510 9,511 1,512 2,513 6,518 1.743,519 1.837,520 3.578,521 3.384,524 98.138,525 1.963,526 4.403,527 5.149,528 5.444,529 5.524,530 5.524,531 2.996,532 4.875,533 4.975,534 3.778,535 1873.75,536 8.692,537 27535.5,539 282.193,540 1.693,541 4.896,542 0.214,543 0.007,544 0.094,545 0.067,546 0.044,547 0.031,548 0.022,549 0.014,550 0.012,551 0.012,552 0.518,553 0.17,554 0.75,555 0.636,556 168.666,557 -0.162,558 -0.275,559 0.146,560 -0.134,561 -0.232,562 0.05,563 0.108,564 0.156,565 -0.038,566 0.035,567 0.101,568 -0.031,569 -0.02,570 -0.159,571 -0.045,572 -0.117,573 -0.055,574 -0.102,575 -0.028,576 -0.037,577 -0.038,578 -0.027,579 0.045,580 -0.078,581 -0.026,582 0.084,583 0.032,584 0.051,585 -0.1,586 0.046,587 0.03,588 -0.176,589 -0.087,590 -0.184,591 0.113,592 -0.064,593 -0.154,594 0.186,595 -0.261,596 0.059,597 -0.13,598 -0.121,599 -0.143,600 0.045,601 -0.059,602 0.025,603 -0.143,604 -0.017,605 5.546,606 5.116,607 0.625,608 31.625,609 1.052,610 1.142,611 0.931,612 0.866,613 0.658,614 3.584,615 3.97,616 4.248,617 4.522,618 4.673,619 4.762,620 4.852,621 4.977,622 4.977,623 5.017,624 7.424,625 0.664,626 466.48,627 3.584,628 5.165,629 6.033,630 6.942,631 7.827,632 8.739,633 9.631,634 10.545,635 11.442,636 12.356,637 12,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 50,667 19,668 1,669 35,671 53,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,698 1,700 18,701 13,702 6,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 16,755 2,756 1,757 3,758 2,761 17.417,762 8.317,763 6.833,764 2.474,765 2.831,766 1.362,767 0.908,768 6.108,769 10.648,770 3.85,771 4.497,772 5.008,773 5.583,774 5.995,775 6.238,776 6.541,777 6.861,778 6.859,779 6.989,780 1,781 53,782 12.536,783 6.232,784 8.414,785 21.215,786 17.743,787 2.914,788 93.25,789 141.253,790 81.323,791 101.558,793 217.053,795 7.511,796 73.812,797 358.306,798 101.558,800 20.997,801 163.68,802 218.909,803 15.419,804 16.243,805 105.94,807 141.253,808 175.37,809 217.053,810 7.511,812 142.969,813 112.141,814 104.912,815 40.134,816 83.164,817 57.868,819 141.253,820 318.611,821 81.323,823 7.511,824 141.253,825 18.67,826 57.041,827 16.405,828 300.307,829 141.253,830 318.611,831 81.323,833 0.601,834 0.355,835 0.189,836 0.094,837 26,838 13,839 0.113,840 6,841 1,842 1.1,843 4.185,844 296.672,845 0.1,846 20,847 158,848 1,849 22.504,850 8.685,851 4.463,852 0.491,853 316.712,854 7.814,855 11.812,856 -0.637,857 1.313,858 177.352,859 541.188,860 46,862 -4.629,863 36.305,866 -1.116,867 52.607,868 57.076,869 0.348,870 0.78,871 0.912,872 0.965,873 0.979,874 0.979,875 5.13,876 1.778,877 6.08,878 5.321,879 4.654,880 5.185,881 2.31,882 6.971,883 4.546,884 6.38,885 1.414,886 7.701,887 5.135,888 4.511,889 5.316,891 8.162,892 4.388,893 7.74,894 1.4,895 9.427,896 3.778,897 6.372,898 7.5,899 2.87,900 11.217,901 6.18,902 9.139,903 1.047,904 11.212,905 3.07,906 7.013,907 8.436,909 13.175,910 6.802,911 10.571,912 1.035,913 13.034,914 2.662,915 8.412,916 10.18,917 3.593,918 15.805,919 8.147,920 12.027,921 0.745,922 14.879,923 2.615,924 9.369,925 11.444,927 18.043,928 9.075,929 13.499,930 0.688,931 16.74,932 1.808,933 10.613,934 13.038,935 4.417,936 20.54,937 10.273,938 3.318,939 -0.031,940 18.614,941 1.677,942 11.696,943 14.439,945 22.89,946 11.32,947 3.234,948 11.826,949 20.496,950 -0.073,951 12.888,952 15.979,953 5.291,954 25.343,955 12.47,956 2.996,957 11.105,958 22.385,959 4.597,960 14.021,961 17.44,963 27.741,964 13.566,965 2.881,966 10.144,967 24.28,968 4.489,969 15.197,970 18.96,971 6.188,972 30.182,973 14.701,974 2.258,975 9.48,976 26.179,977 3.899,978 16.353,979 20.447,981 32.603,982 15.818,983 1.992,984 7.46,985 28.081,986 3.216,987 17.525,988 21.96,989 7.095,990 35.043,991 16.951,992 1.927,993 5.68,994 29.986,995 2.815,996 18.691,997 23.46,999 37.476,1000 18.078,1001 13723,1002 26887,1003 22.482,1004 32.886,1005 53.794,1006 56.194,1007 56.379,1008 53.378,1009 53.424,1010 69.255,1011 7.2,1012 163.523,1013 50.392,1014 5.683,1015 6.473,1016 6.666,1017 5.368,1018 5.318,1019 7.597,1020 3.158,1021 19.514,1022 5.209,1023 19.432,1024 1.537,1025 1.606,1026 1.611,1027 1.525,1028 1.526,1029 1.979,1030 0.206,1031 4.672,1032 1.44,1033 4.111,1034 4.159,1035 4.709,1036 3.927,1037 7.725,1038 3.952,1039 3.987,1040 3.976,1041 4.082,1042 3.875,1043 7.428,1044 3.863,1045 3.854,1046 3.847,1047 3.856,1048 3.763,1049 6.999,1050 3.687,1051 3.751,1052 3.74,1053 3.708,1054 3.574,1055 6.495,1056 3.567,1057 3.329,1058 3.409,1059 3.255,1060 3.074,1061 6.468,1062 3.106,1063 3.207,1064 3.234,1065 3.171,1066 2.985,1067 6.4,1068 3.009,1069 3.086,1070 3.13,1071 2.983,1072 2.861,1073 5.268,1074 2.864,1075 2.998,1076 3.081,1077 2.884,1078 2.746,1079 4.877,1080 2.749,1081 0.134,1082 0.128,1083 0.199,1084 0.121,1085 0.095,1086 4.705,1087 0.131,1088 4.473,1089 0.045,1090 6.981,1091 0.338,1092 4.252,1093 0.092,1094 3.318,1095 4.597,1096 1.579,1097 11.826,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.014,1103 1.175,1104 2.006,1105 1.808,1106 1.763,1107 1.861,1108 2.005,1109 1.065,1110 1.973,1111 1.645,1112 1.676,1113 1.776,1114 1.858,1115 1.016,1116 1.869,1117 1.538,1118 1.52,1119 1.631,1120 1.789,1121 0.747,1122 1.761,1123 1.433,1124 1.404,1125 1.367,1126 1.68,1127 0.563,1128 1.674,1129 1.137,1130 1.084,1131 1.322,1132 1.439,1133 0.385,1134 1.41,1135 1.02,1136 1.019,1137 1.165,1138 1.284,1139 0.204,1140 1.255,1141 0.883,1142 0.839,1143 1.141,1144 1.214,1145 0.148,1146 1.2,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.809,1154 7.627,1155 10.48,1161 5.831,1162 30.347,1163 -0.725,1164 1.637,1165 10.297,1166 -5.489,1170 33.195,1171 98.138,1172 220.154,1173 257.438,1174 272.193,1175 276.193,1176 276.193,1177 93.835,1178 7.817,1179 212.01,1180 220.39,1181 22,1182 12.872,1183 4.322,1184 3.585,1185 52.029,1186 144,1187 132,1188 0.175,1189 204.714,1190 354.23,1191 491.262,1192 28622,1194 23.043,1195 0.72,1196 0.53,1197 23.293,1198 16.954,1199 15.176,1200 0.434,1201 0.301,1202 8.986,1203 13.46,1204 8.826,1205 7.191,1206 16.03,1207 10.526,1208 14.675,1209 0.282,1210 0.157,1211 15.984,1212 8.164,1213 12.149,1214 0.176,1215 0.082,1216 12.997,1217 5.641,1218 10.193,1219 0.112,1220 0.043,1221 11.044,1222 3.919,1223 7.429,1224 0.07,1225 0.024,1226 8.178,1227 2.535,1228 0.278,1229 107.142,1230 0.211,1231 29.974,1232 0.472,1233 174,1234 690.213,1235 240.33,1236 659.888,1237 870.49,1238 606,1239 208,1240 592.983,1241 286.262,1242 625.776,1243 924.9,1244 585,1245 8.18}
{0 CHEMBL220161,1 1.968,2 12.786,3 -0.378,4 0.143,5 95.46,6 9.283,7 0.533,8 3.947,9 4.032,10 3.822,11 3.363,12 5.195,13 3.411,14 4.454,15 4.576,16 4.07,17 3.697,18 5.999,19 3.736,20 4.578,21 4.716,22 4.09,23 3.783,24 5.898,25 3.794,26 4.678,27 4.838,28 4.099,29 3.703,30 6.292,31 3.726,32 4.615,33 4.808,34 3.89,35 3.592,36 5.988,37 3.565,38 4.449,39 4.61,40 3.789,41 3.478,42 5.94,43 3.468,44 4.388,45 4.551,46 3.619,47 3.361,48 5.792,49 3.364,50 4.22,51 4.397,52 3.595,53 3.341,54 5.506,55 3.3,56 0.299,57 0.705,58 9.14,59 3.516,60 40.314,61 3.43,62 0.961,63 1,64 15.252,65 5.635,66 84.944,67 5.874,68 0.878,69 1.089,70 19.981,71 7.292,72 90.845,73 7.545,74 1.249,75 1.063,76 23.914,77 6.895,78 175.271,79 7.462,80 1.247,81 0.907,82 25.112,83 6.535,84 131.857,85 7.101,86 1.016,87 0.774,88 25.063,89 6.828,90 133.97,91 7.214,92 1.058,93 0.711,94 18.586,95 5.072,96 121.633,97 4.88,98 0.65,99 0.684,100 15.71,101 4.994,102 72.088,103 5.622,104 26,105 42,106 0.337,107 0.731,108 0.842,109 0.889,110 0.897,111 0.897,112 3.373,113 0.927,114 -3.08,115 -3.08,116 -2.97,119 34.1,125 2,126 1,134 4,135 1,136 1,139 1,140 1,141 1,144 1,147 1,149 1,152 1,153 1,154 1,157 4,159 7,160 1,162 1,163 5,165 3,166 4,168 3,169 1,170 1,171 1,173 3,175 2,177 5,178 5,180 2,181 3,182 1,183 3,187 5,188 4,189 1,190 2,192 1,198 6,201 3,211 4,212 4,215 1,223 2,224 1,226 1,227 1,234 3,235 3,238 2,246 1208,247 18.466,248 18.466,249 18.466,250 18.466,251 18.466,252 16.03,253 18.506,254 10.918,255 19.015,256 14.788,257 14.788,258 14.788,259 14.788,260 14.788,261 11.067,262 22.1,263 5.136,264 15.666,265 3.491,266 1.194,267 0.545,268 0.273,269 0.227,270 0.227,271 4.051,274 1,275 1,276 763,277 4.243,280 71.87,281 196.551,282 133.701,284 1.903,285 51.287,286 0.75,287 0.83,288 0.83,289 0.3,291 0.67,292 0.5,293 0.55,294 65,295 358,296 4.703,297 4.472,298 6.768,299 4.226,300 3.234,301 4.581,302 1.579,303 11.098,304 3.206,305 4.615,306 3.555,307 6.762,308 4.1,309 3.163,310 4.488,311 1.041,312 11.047,313 2.962,314 4.278,315 3.229,316 6.341,317 3.875,318 2.884,319 3.899,320 0.98,321 9.48,322 2.855,323 3.471,324 2.677,325 5.136,326 3.027,327 2.13,328 2.833,330 6.03,331 1.914,332 3.391,333 2.49,334 5.026,335 2.926,336 1.972,337 2.757,339 5.664,340 1.905,341 3.357,342 2.099,343 4.865,344 2.882,345 1.928,346 2.592,347 5.167,348 1.792,349 2.861,350 1.951,351 3.944,352 2.505,353 1.615,354 2.015,355 3.408,356 1.425,357 2.757,358 1.543,359 3.891,360 2.392,361 1.414,362 1.819,363 3.067,364 1.377,365 2.599,366 1.532,367 3.698,368 2.137,369 1.221,370 1.616,371 2.878,372 1.115,373 2.547,374 1.311,375 3.576,376 2.045,377 1.042,378 1.507,379 2.586,380 1.039,381 2.27,382 1.204,383 3.37,384 1.775,385 0.88,386 1.183,387 2.042,388 0.784,389 1.862,390 0.878,391 3.25,392 1.552,393 0.684,394 0.788,395 1.561,396 0.591,397 1.095,398 0.724,399 2.855,400 0.849,401 -0.057,402 -0.061,403 -0.136,404 -0.05,405 1.087,406 0.359,407 2.588,408 0.729,409 -0.2,410 -0.24,411 -0.454,412 -0.183,413 1.008,414 0.165,415 2.366,416 0.577,417 -0.339,418 -0.434,419 -0.772,420 -0.307,421 12.733,422 0.455,423 0.8,424 0.029,425 39.25,426 1.402,427 19.5,428 0.696,429 19.75,430 0.705,431 18.676,432 0.667,433 31.667,434 0.72,435 31.752,436 1.134,437 8.027,438 0.287,439 5.345,440 0.191,441 0.136,442 0.065,443 0.267,447 0.828,448 1.671,449 0.748,450 1.456,451 0.817,452 0.95,453 0.799,454 0.825,455 0.834,456 0.788,457 0.567,458 0.817,459 1.039,460 1.254,461 1.016,462 1.231,463 0.983,464 1.096,465 1.028,466 1.094,467 1.082,468 1.124,469 1.013,470 1.089,471 1.194,472 0.68,473 1.19,474 0.864,475 1.255,476 0.979,477 1.163,478 1.108,479 1.358,480 1.378,481 1.06,482 1.069,483 1.615,484 0.713,485 1.313,486 0.808,487 1.725,488 1.013,489 1.003,490 1.03,491 1.115,492 1.16,493 0.998,494 1.128,495 6,496 0.116,497 3.556,498 2.66,499 1.361,500 0.879,501 0.382,502 0.339,503 0.207,504 0.265,505 11019,506 41631,507 2.005,508 36.4,510 8,511 2,512 2,513 4,518 1.703,519 1.856,520 3.581,521 1.874,522 1,524 86.592,525 1.968,526 4.266,527 4.914,528 5.187,529 5.232,530 5.232,531 2.982,532 4.522,533 4.786,534 3.815,535 1441.92,536 8.276,537 20525,539 240.215,540 1.598,541 4.719,542 0.2,543 0.005,544 0.085,545 0.065,546 0.036,547 0.031,548 0.014,549 0.015,550 0.009,551 0.012,552 0.471,553 0.17,554 0.88,555 0.616,556 144.544,557 -0.101,558 -0.387,559 0.194,560 -0.243,561 -0.202,562 -0.013,563 0.191,564 0.284,565 -0.01,566 0.159,567 0.204,568 0.058,569 -0.107,570 -0.206,571 -0.058,572 -0.163,573 -0.122,574 -0.117,575 0.047,576 -0.114,577 -0.066,578 -0.153,579 0.163,580 -0.161,581 -0.08,582 0.231,583 -0.081,584 0.111,585 -0.156,586 -0.011,587 -0.012,588 -0.211,589 -0.073,590 -0.167,591 0.119,592 -0.006,593 -0.34,594 0.173,595 -0.295,596 0.117,597 -0.368,598 -0.102,599 -0.062,600 -0.056,601 -0.024,602 -0.078,603 -0.093,604 -0.098,605 5.288,606 4.886,607 0.536,608 26.286,609 1.047,610 1.142,611 1.855,612 3.44,613 0.664,614 3.434,615 3.761,616 3.97,617 4.205,618 4.263,619 4.22,620 4.174,621 4.205,622 4.094,623 4.078,624 7.705,625 0.665,626 408.44,627 3.434,628 4.977,629 5.808,630 6.688,631 7.534,632 8.418,633 9.27,634 10.154,635 11.01,636 11.895,637 13.6,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 44,667 19,668 1,669 30,671 46,672 15,673 11,674 2,675 4,676 1,677 3,678 4,688 12,689 3,691 3,693 1,694 3,697 1,698 1,700 16,701 11,702 4,703 13,704 1,706 1,707 6,711 0.667,712 6,717 1,721 1,722 2,731 1,732 2,733 1,739 28,740 1,742 1,743 1,744 3,745 1,746 2,754 13.6,756 1,757 3,758 2,761 15.083,762 7.583,763 6.139,764 2.179,765 2.848,766 1.401,767 0.954,768 6.183,769 9.944,770 3.738,771 4.379,772 4.88,773 5.46,774 5.835,775 5.995,776 6.228,777 6.479,778 6.231,779 6.087,780 1,781 41,782 10.73,783 4.953,784 8.318,785 18.567,786 14.657,787 2.818,788 78.917,789 141.253,790 90.079,791 101.558,793 131.687,795 7.511,796 82.568,797 272.94,798 101.558,800 29.753,801 78.313,802 218.909,803 15.419,804 28.014,805 94.169,807 141.253,808 184.126,809 131.687,810 7.511,812 142.969,813 112.141,814 19.545,815 48.89,816 83.164,817 57.868,819 141.253,820 233.244,821 90.079,823 7.511,824 141.253,825 27.426,826 57.041,827 16.405,828 214.94,829 141.253,830 233.244,831 90.079,833 0.584,834 0.333,835 0.18,836 0.085,837 19,838 9,839 0.174,840 8,841 1,842 1.133,843 4.031,844 225.283,845 0.133,846 15,847 132.606,848 1,849 20.132,850 8.6,851 5.021,852 0.896,853 231.345,854 8.255,855 11.864,856 -0.316,857 1.555,858 91.986,859 464.577,860 41,862 -4.371,863 35.481,866 -1.014,867 46.069,868 50.242,869 0.36,870 0.781,871 0.9,872 0.95,873 0.958,874 0.958,875 4.97,876 1.414,877 5.826,878 3.408,879 4.443,880 5.066,881 2.31,882 6.663,883 4.342,884 6.217,885 1.221,886 7.409,887 3.067,888 4.205,889 5.19,891 7.842,892 4.123,893 7.571,894 1.042,895 9.106,896 2.878,897 6.107,898 7.42,899 2.87,900 10.847,901 5.945,902 8.971,903 0.88,904 10.87,905 2.586,906 6.686,907 8.361,909 12.817,910 6.544,911 10.406,912 0.684,913 12.677,914 2.042,915 8.106,916 10.127,917 3.593,918 15.402,919 7.905,920 11.867,921 -0.057,922 14.512,923 1.561,924 9.026,925 11.397,927 17.642,928 8.829,929 13.345,930 -0.2,931 16.365,932 -0.136,933 10.274,934 13.001,935 4.417,936 20.099,937 10.036,938 3.234,939 -0.339,940 18.231,941 -0.454,942 11.334,943 14.405,945 22.436,946 11.086,947 3.163,948 11.098,949 20.107,950 -0.772,951 12.52,952 15.949,953 5.291,954 24.851,955 12.241,956 2.884,957 11.047,958 21.989,959 4.581,960 13.635,961 17.41,963 27.224,964 13.341,965 2.13,966 9.48,967 23.876,968 4.488,969 14.8,970 18.93,971 6.188,972 29.626,973 14.48,974 1.972,975 6.03,976 25.767,977 3.899,978 15.939,979 20.417,981 32.014,982 15.6,983 1.928,984 5.664,985 27.661,986 2.833,987 17.097,988 21.93,989 7.095,990 34.413,991 16.737,992 1.615,993 5.167,994 29.558,995 2.757,996 18.246,997 23.428,999 36.807,1000 17.867,1001 10631,1002 20861,1003 19.474,1004 29.216,1005 44.621,1006 46.768,1007 46.165,1008 44.242,1009 44.333,1010 60.156,1011 7.2,1012 128.055,1013 41.929,1014 5.657,1015 6.472,1016 6.511,1017 5.332,1018 5.234,1019 7.581,1020 3.158,1021 17.996,1022 5.206,1023 15.321,1024 1.487,1025 1.559,1026 1.539,1027 1.475,1028 1.478,1029 2.005,1030 0.24,1031 4.268,1032 1.398,1033 4.087,1034 4.141,1035 4.709,1036 3.907,1037 7.725,1038 3.927,1039 3.986,1040 3.974,1041 4.062,1042 3.87,1043 7.428,1044 3.864,1045 3.841,1046 3.806,1047 3.856,1048 3.759,1049 6.999,1050 3.659,1051 3.511,1052 3.557,1053 3.41,1054 3.26,1055 6.468,1056 3.274,1057 3.327,1058 3.406,1059 3.229,1060 3.072,1061 5.27,1062 3.101,1063 3.169,1064 3.173,1065 3.16,1066 2.971,1067 4.88,1068 2.982,1069 3.036,1070 3.131,1071 2.928,1072 2.746,1073 4.622,1074 2.765,1075 2.937,1076 2.972,1077 2.816,1078 2.728,1079 4.604,1080 2.749,1081 0.157,1082 0.149,1083 0.226,1084 0.141,1085 0.108,1086 4.703,1087 0.153,1088 4.472,1089 0.053,1090 6.768,1091 0.37,1092 4.226,1093 0.107,1094 3.234,1095 4.581,1096 1.579,1097 11.098,1098 3.206,1099 1.897,1100 1.883,1101 1.991,1102 2.016,1103 1.066,1104 2.007,1105 1.802,1106 1.756,1107 1.863,1108 2.003,1109 1.03,1110 1.974,1111 1.615,1112 1.662,1113 1.737,1114 1.85,1115 0.936,1116 1.86,1117 1.468,1118 1.421,1119 1.559,1120 1.743,1121 0.61,1122 1.726,1123 1.311,1124 1.249,1125 1.337,1126 1.568,1127 0.542,1128 1.569,1129 1.022,1130 1.028,1131 1.218,1132 1.314,1133 0.206,1134 1.292,1135 0.925,1136 0.839,1137 1.141,1138 1.24,1139 0.171,1140 1.22,1141 0.883,1142 0.835,1143 1.1,1144 1.143,1145 0.119,1146 1.131,1147 4.111,1149 5.434,1150 2.398,1151 6.94,1152 4.727,1153 8.534,1154 6.843,1155 10.174,1161 5.764,1162 9.567,1163 -0.428,1164 1.697,1165 9.966,1170 29.238,1171 86.592,1172 187.686,1173 216.215,1174 228.215,1175 230.215,1176 230.215,1177 70.626,1178 7.097,1179 171.55,1180 179.93,1181 17,1182 12.433,1183 4.322,1184 3.585,1185 50.186,1186 134,1187 98,1188 0.18,1189 184.93,1190 314.41,1191 442.99,1192 12755,1194 20.148,1195 0.72,1196 0.542,1197 20.398,1198 15.165,1199 13.372,1200 0.446,1201 0.309,1202 7.752,1203 11.743,1204 7.558,1205 6.235,1206 14.225,1207 9.266,1208 12.454,1209 0.297,1210 0.161,1211 13.763,1212 6.755,1213 9.6,1214 0.185,1215 0.085,1216 10.464,1217 4.413,1218 8.197,1219 0.124,1220 0.045,1221 9.062,1222 2.945,1223 5.596,1224 0.08,1225 0.025,1226 6.218,1227 1.726,1228 0.295,1229 95.382,1230 0.227,1231 27.461,1232 0.462,1233 144,1234 595.913,1235 204.46,1236 575.198,1237 757.61,1238 528,1239 166,1240 510.267,1241 236.399,1242 548.378,1243 797.67,1244 509,1245 4.777}
{0 CHEMBL238486,1 1.794,2 12.563,3 -1.106,4 1.223,5 109.048,6 8.769,7 0.444,8 4.087,9 4.181,10 3.767,11 3.531,12 5.351,13 3.589,14 4.609,15 4.729,16 4.184,17 3.944,18 5.868,19 3.994,20 4.892,21 5.038,22 4.317,23 4.048,24 6.276,25 4.093,26 4.95,27 5.119,28 4.229,29 4.001,30 6.379,31 4.029,32 4.847,33 5.04,34 4.045,35 3.918,36 6.131,37 3.917,38 4.767,39 4.953,40 4.002,41 3.814,42 6.133,43 3.832,44 4.705,45 4.879,46 3.948,47 3.749,48 6.135,49 3.765,50 4.626,51 4.806,52 3.835,53 3.68,54 6.024,55 3.684,56 0.302,57 0.796,58 7.769,59 3.907,60 35.112,61 4.064,62 0.674,63 1.247,64 15.218,65 6.685,66 63.097,67 7.06,68 1.204,69 1.45,70 24.467,71 8.852,72 120.611,73 10.121,74 1.544,75 1.436,76 28.827,77 8.709,78 161.694,79 10.079,80 1.132,81 1.308,82 26.459,83 8.311,84 118.935,85 10.221,86 1.091,87 1.177,88 24.605,89 7.569,90 134.16,91 9.245,92 1.174,93 1.116,94 22.448,95 6.913,96 132.26,97 8.165,98 0.956,99 1.023,100 20.701,101 6.745,102 125.594,103 8.188,104 26,105 53,106 0.298,107 0.727,108 0.862,109 0.911,110 0.924,111 0.924,112 3.502,113 0.807,114 -1.73,115 -1.8,116 -1.82,119 40,125 1,127 3,128 1,131 1,132 1,134 4,135 1,136 1,138 1,139 1,140 1,146 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 4,160 6,162 1,163 2,165 1,166 5,168 2,169 3,170 1,171 5,172 1,175 3,177 6,178 4,180 2,181 5,182 1,183 1,185 2,187 1,188 3,190 3,191 1,192 1,194 1,197 1,198 2,200 1,201 4,203 3,211 3,212 3,215 4,216 1,217 2,219 1,224 1,227 3,228 1,229 1,231 1,234 4,235 5,238 3,239 1,240 2,242 1,246 1686,247 21.621,248 21.621,249 21.621,250 21.621,251 21.621,252 19.287,253 23.515,254 12.302,255 22.202,256 17.674,257 17.674,258 17.674,259 17.674,260 17.674,261 14.058,262 28.504,263 5.739,264 18.67,265 3.85,266 1.269,267 0.455,268 0.16,269 0.08,270 0.08,271 4.207,275 1,276 896,277 3.317,280 153.803,281 268.674,282 132.048,283 153.08,284 1.84,285 58.183,286 0.75,287 0.83,288 0.83,289 0.5,291 0.67,292 0.5,293 0.58,294 73,295 402,296 4.641,297 3.766,298 6.924,299 4.222,300 3.298,301 4.581,302 1.058,303 11.61,304 3.164,305 4.503,306 3.585,307 6.719,308 4.159,309 3.158,310 4.07,311 1.041,312 10.799,313 3.043,314 4.145,315 3.356,316 6.53,317 3.941,318 3.002,319 3.415,320 0.86,321 10.118,322 2.811,323 3.974,324 3.126,325 6.008,326 3.585,327 2.594,328 3.323,330 8.425,331 2.562,332 3.663,333 2.814,334 5.891,335 3.316,336 2.388,337 2.922,339 7.931,340 2.209,341 3.299,342 2.592,343 5.242,344 2.933,345 1.965,346 2.475,347 5.911,348 1.902,349 3.066,350 2.236,351 4.986,352 2.799,353 1.839,354 2.323,355 5.365,356 1.742,357 3.043,358 2.021,359 4.786,360 2.544,361 1.618,362 2.15,363 4.723,364 1.495,365 2.973,366 1.969,367 4.311,368 2.474,369 1.553,370 2.096,371 3.902,372 1.417,373 2.813,374 1.549,375 4.141,376 2.443,377 1.536,378 1.864,379 3.671,380 1.389,381 2.699,382 1.492,383 4.068,384 2.271,385 1.292,386 1.7,387 2.958,388 1.256,389 2.428,390 1.318,391 3.637,392 1.944,393 1.039,394 1.385,395 2.921,396 0.936,397 2.412,398 1.315,399 3.469,400 1.872,401 0.878,402 1.269,403 2.07,404 0.862,405 2.1,406 1.228,407 3.307,408 1.662,409 0.765,410 0.995,411 1.824,412 0.684,413 1.722,414 0.886,415 3.21,416 1.505,417 0.579,418 0.629,419 1.358,420 0.528,421 14.4,422 0.45,423 0.892,424 0.028,425 42.5,426 1.328,427 19.5,428 0.609,429 23,430 0.719,431 25.634,432 0.801,433 34.8,434 0.696,435 36.188,436 1.131,437 8.632,438 0.27,439 6.82,440 0.213,441 0.12,443 0.444,447 0.95,448 1.384,449 0.692,450 1.055,451 0.832,452 0.831,453 0.971,454 1.024,455 0.83,456 1.005,457 0.787,458 0.896,459 1.012,460 1.131,461 0.896,462 1.103,463 0.919,464 1.001,465 1.149,466 0.856,467 1.121,468 0.905,469 1.17,470 0.99,471 1.055,472 0.937,473 1.086,474 1.016,475 1.116,476 1.045,477 1.11,478 0.985,479 1.039,480 1.019,481 1.176,482 1.007,483 1.087,484 0.929,485 1.143,486 1.008,487 1.188,488 1.076,489 1.049,490 1.085,491 1.107,492 1.16,493 1.146,494 1.155,495 5.5,496 0.229,497 5.111,498 3.299,499 2.14,500 1.157,501 0.741,502 0.525,503 0.381,504 0.262,505 15278,506 50090,507 2.116,508 36,510 9,511 2,512 2,513 5,518 1.742,519 1.959,520 3.609,521 2.469,524 89.676,525 1.794,526 4.375,527 5.189,528 5.484,529 5.564,530 5.564,531 3.052,532 4.812,533 4.976,534 3.779,535 1874.22,536 8.687,537 27338.5,539 282.193,540 1.468,541 4.923,542 0.153,543 0.008,544 0.096,545 0.058,546 0.043,547 0.028,548 0.019,549 0.014,550 0.012,551 0.008,552 0.438,553 0.17,554 0.75,555 0.575,556 168.476,557 -0.192,558 -0.181,559 -0.001,560 -0.008,561 -0.161,562 0.053,563 -0.093,564 0.117,565 -0.044,566 0.003,567 -0.09,568 -0.005,569 0.041,570 -0.134,571 0.04,572 -0.108,573 0.04,574 -0.056,575 0.01,576 0.104,577 -0.108,578 0.037,579 -0.008,580 -0.057,581 -0.071,582 0.015,583 -0.068,584 -0.045,585 -0.082,586 -0.047,587 -0.051,588 -0.052,589 -0.007,590 -0.05,591 -0.036,592 -0.017,593 0.029,594 0.025,595 -0.127,596 -0.058,597 -0.008,598 -0.126,599 -0.008,600 -0.152,601 -0.091,602 -0.177,603 -0.004,604 -0.161,605 2.656,606 5.568,607 0.75,608 30.293,609 1.038,610 1.135,611 0.504,612 0.254,613 0.667,614 3.611,615 3.989,616 4.344,617 4.625,618 4.82,619 4.927,620 5.056,621 5.17,622 5.22,623 5.231,624 7.392,625 0.672,626 438.44,627 3.611,628 5.187,629 6.08,630 6.986,631 7.89,632 8.8,633 9.709,634 10.62,635 11.531,636 12.443,637 12,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,656 1,659 1,664 1,666 50,667 19,668 1,669 36,671 54,672 20,673 11,674 2,675 4,676 4,677 5,678 7,683 3,686 3,688 15,689 5,691 3,694 2,695 1,697 3,698 1,700 18,701 11,702 5,703 12,706 1,707 6,711 0.6,712 6,714 2,715 1,717 1,721 2,722 3,723 1,725 1,727 1,730 2,731 1,732 3,739 32,740 1,743 2,744 1,745 1,746 2,747 4,754 12,755 2,757 2,758 1,759 1,761 16.333,762 8.617,763 6.889,764 2.687,765 3.486,766 1.42,767 0.946,768 5.208,769 11.795,770 3.871,771 4.486,772 5.116,773 5.676,774 6.13,775 6.425,776 6.774,777 7.094,778 7.139,779 7.201,780 1,781 57,782 11.992,783 5.574,784 8.146,785 21.64,786 18.331,787 2.646,788 84.667,789 153.024,790 96.422,791 103.164,793 157.656,796 96.422,797 310.681,798 103.164,800 31.651,801 156.169,802 155.361,803 35.276,804 25.87,805 105.94,807 153.024,808 199.586,809 157.656,812 153.024,813 61.29,814 96.367,815 43.112,816 106.117,817 50.357,819 153.024,820 260.82,821 96.422,824 153.024,825 29.746,826 68.575,827 18.011,828 240.91,829 153.024,830 260.82,831 96.422,833 0.597,834 0.374,835 0.202,836 0.103,837 28,838 13,839 0.074,840 4,841 2,842 1.167,843 4.275,844 306.729,845 0.167,846 24,847 160,849 20.694,850 8.054,851 3.498,852 0.657,853 258.921,854 9.201,855 12.08,856 0.812,857 1.432,858 136.275,859 510.266,860 47,863 25.128,864 1.089,866 -1.342,867 51.876,868 56.737,869 0.318,870 0.775,871 0.919,872 0.972,873 0.986,874 0.986,875 5.147,876 1.618,877 6.094,878 5.365,879 4.673,880 5.173,881 1.93,882 6.976,883 4.568,884 6.366,885 1.553,886 7.705,887 4.723,888 4.369,889 5.047,891 8.015,892 4.244,893 7.693,894 1.536,895 9.418,896 3.902,897 6.34,898 7.387,899 1.939,900 11.162,901 6.149,902 9.058,903 1.292,904 11.189,905 3.671,906 6.878,907 8.129,909 13.017,910 6.663,911 10.457,912 1.039,913 12.996,914 2.958,915 8.327,916 9.951,917 1.969,918 15.686,919 8.056,920 11.88,921 0.878,922 14.828,923 2.921,924 9.225,925 11.095,927 17.861,928 8.923,929 13.323,930 0.765,931 16.677,932 2.07,933 10.486,934 12.719,935 2.015,936 20.369,937 10.135,938 3.298,939 0.579,940 18.538,941 1.824,942 11.538,943 14.052,945 22.678,946 11.149,947 3.158,948 11.61,949 20.41,950 1.358,951 12.732,952 15.598,953 2.074,954 25.128,955 12.299,956 3.002,957 10.799,958 22.288,959 4.581,960 13.847,961 17.02,963 27.497,964 13.375,965 2.594,966 10.118,967 24.173,968 4.07,969 15.019,970 18.538,971 2.142,972 29.928,973 14.504,974 2.388,975 8.425,976 26.062,977 3.415,978 16.163,979 20.003,981 32.326,982 15.607,983 1.965,984 7.931,985 27.956,986 3.323,987 17.33,988 21.512,989 2.216,990 34.752,991 16.733,992 1.839,993 5.911,994 29.853,995 2.922,996 18.486,997 23,999 37.164,1000 17.849,1001 14095,1002 25662,1003 23.986,1004 33.33,1005 56.04,1006 58.47,1007 58.122,1008 55.036,1009 55.019,1010 70.408,1011 5.919,1012 167.201,1013 52.011,1014 5.62,1015 5.766,1016 6.607,1017 5.337,1018 5.298,1019 7.581,1020 2.117,1021 19.318,1022 5.164,1023 16.411,1024 1.557,1025 1.624,1026 1.614,1027 1.529,1028 1.528,1029 1.956,1030 0.164,1031 4.644,1032 1.445,1033 4.107,1034 4.158,1035 4.084,1036 3.922,1037 7.444,1038 3.952,1039 3.987,1040 3.997,1041 3.954,1042 3.882,1043 7.412,1044 3.901,1045 3.808,1046 3.84,1047 3.734,1048 3.621,1049 6.494,1050 3.643,1051 3.607,1052 3.633,1053 3.553,1054 3.464,1055 6.4,1056 3.482,1057 3.359,1058 3.433,1059 3.278,1060 3.125,1061 5.271,1062 3.151,1063 3.239,1064 3.3,1065 3.144,1066 2.968,1067 4.872,1068 3.003,1069 2.994,1070 3.103,1071 2.906,1072 2.8,1073 4.854,1074 2.81,1075 2.978,1076 2.998,1077 2.886,1078 2.717,1079 4.554,1080 2.743,1081 0.129,1082 0.105,1083 0.192,1084 0.117,1085 0.092,1086 4.641,1087 0.127,1088 3.766,1089 0.029,1090 6.924,1091 0.322,1092 4.222,1093 0.088,1094 3.298,1095 4.581,1096 1.058,1097 11.61,1098 3.164,1099 1.936,1100 1.926,1101 2.019,1102 2.044,1103 1.186,1104 2.032,1105 1.797,1106 1.751,1107 1.851,1108 2.008,1109 1.105,1110 1.965,1111 1.647,1112 1.608,1113 1.817,1114 1.859,1115 1.012,1116 1.849,1117 1.552,1118 1.515,1119 1.679,1120 1.802,1121 0.766,1122 1.766,1123 1.465,1124 1.432,1125 1.591,1126 1.656,1127 0.66,1128 1.636,1129 1.165,1130 1.103,1131 1.37,1132 1.458,1133 0.453,1134 1.435,1135 0.949,1136 0.915,1137 1.162,1138 1.27,1139 0.204,1140 1.235,1141 0.907,1142 0.864,1143 1.156,1144 1.22,1145 0.183,1146 1.2,1147 4.29,1149 5.652,1150 3.045,1151 7.213,1152 5.476,1153 8.862,1154 7.627,1155 10.557,1161 5.78,1162 20.932,1163 -0.163,1164 2.544,1165 11.128,1166 -4.61,1170 33.578,1171 89.676,1172 218.767,1173 259.438,1174 274.193,1175 278.193,1176 278.193,1177 75.339,1178 8.309,1179 178.62,1180 178.62,1181 28,1182 12.957,1183 4.322,1184 3.585,1185 45.901,1186 144,1187 130,1188 0.154,1189 201.12,1190 352.4,1191 482.492,1192 54389,1194 22.405,1195 0.7,1196 0.514,1197 22.405,1198 16.452,1199 15.452,1200 0.429,1201 0.269,1202 9.46,1203 14.576,1204 9.399,1205 7.647,1206 15.452,1207 9.688,1208 14.218,1209 0.268,1210 0.138,1211 14.218,1212 7.314,1213 13.147,1214 0.173,1215 0.071,1216 13.147,1217 5.387,1218 10.998,1219 0.109,1220 0.037,1221 10.998,1222 3.707,1223 8.476,1224 0.069,1225 0.019,1226 8.476,1227 2.371,1228 0.246,1229 99.391,1230 0.204,1231 29.952,1232 0.415,1233 178,1234 631.467,1235 205.266,1236 589.693,1237 793.84,1238 550,1239 218,1240 576.087,1241 248.649,1242 572.252,1243 854.8,1244 539,1245 4}
{0 CHEMBL371502,1 1.963,2 12.594,3 -1.471,4 2.163,5 106.456,6 9.33,7 0.457,8 4.093,9 4.17,10 3.943,11 3.501,12 5.354,13 3.559,14 4.623,15 4.725,16 4.265,17 3.888,18 6.13,19 3.941,20 4.87,21 5.002,22 4.351,23 3.991,24 6.292,25 4.027,26 4.948,27 5.103,28 4.344,29 3.958,30 6.507,31 3.986,32 4.876,33 5.046,34 4.294,35 3.906,36 6.263,37 3.907,38 4.813,39 4.949,40 4.264,41 3.812,42 6.463,43 3.856,44 4.75,45 4.9,46 4.037,47 3.698,48 6.337,49 3.728,50 4.571,51 4.736,52 3.901,53 3.613,54 6.014,55 3.614,56 0.416,57 0.793,58 10.184,59 4.103,60 63.609,61 3.855,62 1.08,63 1.186,64 15.951,65 6.911,66 116.836,67 6.944,68 1.501,69 1.346,70 26.476,71 9.085,72 174.034,73 9.49,74 1.832,75 1.33,76 30.591,77 8.986,78 240.52,79 9.571,80 1.594,81 1.231,82 32.83,83 9.061,84 184.01,85 9.602,86 1.625,87 1.112,88 32.91,89 8.499,90 238.184,91 8.602,92 1.637,93 1.003,94 26.385,95 7.174,96 216.93,97 7.223,98 1.103,99 0.918,100 21.786,101 6.399,102 162.272,103 7.183,104 50,105 52,106 0.327,107 0.734,108 0.858,109 0.907,110 0.921,111 0.921,112 3.502,113 0.902,114 -2.16,115 -2.2,116 -2.18,119 34,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,160 1,162 1,163 5,165 3,166 4,168 3,169 1,170 1,171 4,172 1,173 3,175 2,177 6,178 5,180 2,181 5,182 1,183 3,187 3,188 4,190 4,192 1,197 1,198 6,200 1,201 8,202 1,211 5,212 4,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 5,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.718,254 11.847,255 21.444,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 23.461,263 5.543,264 18.154,265 3.681,266 1.241,267 0.495,268 0.2,269 0.12,270 0.12,271 4.188,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 71.019,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 75,295 403,296 4.705,297 4.473,298 6.924,299 4.244,300 3.303,301 4.581,302 1.579,303 11.611,304 3.209,305 4.641,306 3.586,307 6.764,308 4.206,309 3.232,310 4.489,311 1.041,312 11.104,313 3.041,314 4.278,315 3.552,316 6.528,317 3.939,318 2.998,319 3.899,320 0.98,321 10.114,322 2.858,323 4.14,324 3.128,325 6.341,326 3.871,327 2.882,328 3.324,330 9.48,331 2.801,332 3.661,333 2.677,334 5.891,335 3.314,336 2.388,337 2.92,339 7.931,340 2.203,341 3.357,342 2.594,343 5.237,344 2.928,345 1.942,346 2.592,347 5.876,348 1.908,349 3.058,350 2.244,351 4.867,352 2.821,353 1.882,354 2.324,355 5.162,356 1.748,357 3.03,358 1.969,359 4.783,360 2.483,361 1.59,362 2.112,363 4.71,364 1.415,365 2.861,366 1.549,367 4.144,368 2.444,369 1.542,370 2.015,371 3.671,372 1.386,373 2.733,374 1.543,375 4.069,376 2.392,377 1.414,378 1.763,379 3.07,380 1.377,381 2.55,382 1.469,383 3.894,384 2.051,385 1.048,386 1.512,387 2.926,388 1.045,389 2.413,390 1.311,391 3.605,392 1.945,393 1.038,394 1.386,395 2.615,396 0.937,397 2.101,398 1.239,399 3.439,400 1.666,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.898,407 3.303,408 1.553,409 0.69,410 0.728,411 1.679,412 0.59,413 1.1,414 0.749,415 2.937,416 0.831,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.4,422 0.45,423 1.082,424 0.034,425 42.25,426 1.32,427 19.5,428 0.609,429 22.75,430 0.711,431 25.812,432 0.807,433 36.6,434 0.732,435 37.981,436 1.187,437 8.458,438 0.264,439 6.719,440 0.21,441 0.167,442 0.058,443 0.375,447 0.912,448 1.566,449 0.758,450 1.355,451 0.915,452 0.89,453 0.807,454 0.997,455 0.809,456 0.947,457 0.67,458 0.92,459 1.021,460 1.204,461 0.986,462 1.15,463 0.937,464 1.072,465 1.089,466 0.932,467 1.039,468 0.952,469 1.021,470 1.009,471 1.086,472 0.939,473 1.136,474 1.057,475 1.097,476 0.958,477 1.125,478 1.054,479 1.341,480 1.313,481 1.143,482 1.024,483 1.337,484 0.777,485 1.257,486 0.888,487 1.412,488 1.033,489 1.156,490 1.104,491 1.107,492 1.134,493 1.221,494 1.124,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 54841,507 2.019,508 36,510 9,511 1,512 2,513 6,518 1.743,519 1.837,520 3.593,521 3.384,524 98.138,525 1.963,526 4.403,527 5.149,528 5.444,529 5.524,530 5.524,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 282.193,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.162,558 -0.275,559 0.146,560 -0.134,561 -0.232,562 0.05,563 0.108,564 0.156,565 -0.038,566 0.035,567 0.096,568 -0.031,569 -0.024,570 -0.187,571 -0.044,572 -0.129,573 -0.047,574 -0.109,575 -0.011,576 0.026,577 -0.042,578 0.001,579 0.042,580 -0.068,581 -0.053,582 0.025,583 0.04,584 0.031,585 -0.096,586 0.047,587 0.034,588 -0.084,589 -0.104,590 -0.155,591 0.097,592 -0.049,593 -0.131,594 0.135,595 -0.236,596 0.045,597 -0.121,598 -0.119,599 -0.155,600 -0.155,601 -0.074,602 -0.115,603 -0.125,604 -0.118,605 5.542,606 5.111,607 0.625,608 32.086,609 1.052,610 1.142,611 0.931,612 0.866,613 0.658,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.664,626 466.48,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 12,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 50,667 19,668 1,669 35,671 53,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,698 1,700 18,701 13,702 6,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 16,755 2,756 1,757 3,758 2,761 17.417,762 8.317,763 6.833,764 2.474,765 2.842,766 1.364,767 0.908,768 6.108,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.53,783 6.224,784 8.414,785 21.215,786 17.743,787 2.914,788 93.25,789 141.253,790 81.323,791 101.558,793 217.053,795 7.511,796 73.812,797 358.306,798 101.558,800 20.997,801 163.68,802 220.624,803 15.847,804 14.099,805 105.94,807 141.253,808 175.37,809 217.053,810 7.511,812 141.253,813 112.141,814 104.912,815 43.993,816 81.02,817 57.868,819 141.253,820 318.611,821 81.323,823 7.511,824 141.253,825 18.67,826 57.041,827 16.405,828 300.307,829 141.253,830 318.611,831 81.323,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.113,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.504,850 8.685,851 4.463,852 0.491,853 316.712,854 7.796,855 11.878,856 -0.591,857 1.315,858 177.352,859 541.188,860 46,862 -4.625,863 36.293,866 -1.115,867 52.607,868 57.076,869 0.348,870 0.78,871 0.912,872 0.965,873 0.979,874 0.979,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.31,882 6.969,883 4.546,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.388,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.87,900 11.204,901 6.179,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.8,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.593,918 15.771,919 8.144,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.068,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.417,936 20.478,937 10.264,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.308,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.291,954 25.251,955 12.455,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.548,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.188,972 30.058,973 14.681,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.795,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.095,990 34.886,991 16.926,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.051,1001 13815,1002 27068,1003 22.482,1004 32.886,1005 53.801,1006 56.219,1007 56.379,1008 53.394,1009 53.442,1010 69.277,1011 7.2,1012 163.554,1013 50.409,1014 5.683,1015 6.473,1016 6.609,1017 5.36,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.209,1023 19.512,1024 1.537,1025 1.606,1026 1.611,1027 1.526,1028 1.527,1029 1.979,1030 0.206,1031 4.673,1032 1.44,1033 4.109,1034 4.157,1035 4.709,1036 3.924,1037 7.725,1038 3.948,1039 3.987,1040 3.976,1041 4.08,1042 3.873,1043 7.428,1044 3.863,1045 3.854,1046 3.849,1047 3.856,1048 3.763,1049 6.999,1050 3.689,1051 3.753,1052 3.742,1053 3.711,1054 3.578,1055 6.495,1056 3.57,1057 3.341,1058 3.421,1059 3.267,1060 3.088,1061 6.468,1062 3.12,1063 3.205,1064 3.228,1065 3.171,1066 2.985,1067 6.4,1068 3.008,1069 3.077,1070 3.107,1071 2.969,1072 2.854,1073 5.271,1074 2.857,1075 2.989,1076 3.091,1077 2.878,1078 2.746,1079 4.856,1080 2.749,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 4.473,1089 0.045,1090 6.924,1091 0.332,1092 4.244,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.008,1103 1.172,1104 2.006,1105 1.797,1106 1.751,1107 1.849,1108 2.004,1109 1.065,1110 1.965,1111 1.646,1112 1.676,1113 1.777,1114 1.858,1115 0.997,1116 1.869,1117 1.554,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.441,1124 1.418,1125 1.366,1126 1.683,1127 0.569,1128 1.679,1129 1.128,1130 1.079,1131 1.32,1132 1.427,1133 0.406,1134 1.399,1135 1.017,1136 1.014,1137 1.148,1138 1.263,1139 0.204,1140 1.234,1141 0.883,1142 0.839,1143 1.141,1144 1.222,1145 0.147,1146 1.208,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1161 5.728,1162 30.321,1163 -0.72,1164 1.638,1165 10.291,1166 -5.448,1170 33.195,1171 98.138,1172 220.154,1173 257.438,1174 272.193,1175 276.193,1176 276.193,1177 93.69,1178 7.817,1179 212.01,1180 220.39,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 204.714,1190 354.23,1191 491.262,1192 28622,1194 23.043,1195 0.72,1196 0.53,1197 23.293,1198 16.954,1199 15.176,1200 0.434,1201 0.301,1202 8.986,1203 13.462,1204 8.826,1205 7.191,1206 16.03,1207 10.526,1208 14.665,1209 0.282,1210 0.157,1211 15.974,1212 8.164,1213 12.209,1214 0.177,1215 0.082,1216 13.057,1217 5.634,1218 10.121,1219 0.112,1220 0.043,1221 10.972,1222 3.882,1223 7.362,1224 0.07,1225 0.024,1226 8.11,1227 2.517,1228 0.277,1229 107.142,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 690.213,1235 240.33,1236 659.888,1237 870.49,1238 606,1239 208,1240 592.983,1241 286.428,1242 625.775,1243 924.93,1244 585,1245 7.971}
{0 CHEMBL384655,1 1.893,2 12.633,3 0.496,4 0.246,5 107.09,6 8.969,7 0.485,8 4.025,9 4.117,10 3.875,11 3.518,12 5.228,13 3.538,14 4.552,15 4.677,16 4.165,17 3.911,18 6.023,19 3.913,20 4.77,21 4.94,22 4.177,23 4.012,24 5.972,25 3.98,26 4.858,27 5.039,28 4.222,29 3.976,30 6.354,31 3.948,32 4.778,33 4.972,34 4.104,35 3.917,36 6.019,37 3.859,38 4.72,39 4.892,40 4.002,41 3.769,42 6.214,43 3.759,44 4.585,45 4.781,46 3.726,47 3.629,48 5.857,49 3.581,50 4.382,51 4.566,52 3.704,53 3.541,54 5.66,55 3.487,56 0.242,57 0.791,58 10.334,59 4.115,60 34.849,61 4.163,62 0.802,63 1.211,64 15.941,65 6.908,66 80.912,67 7.712,68 0.709,69 1.392,70 25.002,71 9.431,72 81.698,73 10.68,74 1.25,75 1.397,76 28.942,77 9.411,78 177.881,79 10.608,80 0.916,81 1.314,82 31.503,83 9.224,84 107.415,85 9.746,86 1.128,87 1.149,88 29.778,89 8.073,90 164.362,91 8.302,92 0.944,93 0.96,94 23.645,95 7.21,96 110.555,97 7.895,98 0.673,99 0.846,100 19.197,101 6.212,102 84.268,103 6.946,104 26,105 48,106 0.317,107 0.722,108 0.865,109 0.9,110 0.906,111 0.906,112 3.44,113 0.941,114 -4.05,115 -4,116 -3.79,119 37.5,121 1,122 1,125 1,127 1,130 2,134 4,135 1,136 1,139 1,140 1,141 1,144 1,147 1,149 1,152 1,153 1,154 1,157 7,159 6,160 4,162 1,163 5,165 3,166 7,168 2,169 5,170 1,171 1,173 3,175 2,177 4,178 10,180 2,181 3,182 1,183 4,187 1,188 14,192 5,195 2,198 13,201 3,203 3,206 1,208 2,211 3,212 5,215 1,220 3,223 2,224 1,226 1,227 1,229 1,232 5,234 3,235 1,238 1,240 2,243 6,246 1414,247 19.861,248 19.861,249 19.861,250 19.861,251 19.861,252 17.295,253 21.328,254 11.456,255 20.238,256 16.265,257 16.265,258 16.265,259 16.265,260 16.265,261 12.295,262 27.912,263 5.406,264 16.906,265 3.692,266 1.271,267 0.417,268 0.208,269 0.167,270 0.167,271 4.13,274 1,275 1,276 825,277 4,280 157.769,281 201.931,282 133.186,284 1.949,285 51.142,286 0.75,287 0.83,288 0.83,289 0.3,291 0.67,292 0.5,293 0.55,294 68,295 379,296 4.704,297 4.473,298 6.887,299 4.231,300 3.245,301 4.596,302 1.579,303 11.502,304 3.209,305 4.649,306 3.555,307 6.764,308 4.175,309 3.228,310 4.488,311 0.98,312 11.103,313 3.041,314 4.278,315 3.356,316 6.341,317 3.877,318 2.886,319 3.899,320 0.522,321 9.482,322 2.856,323 3.892,324 2.9,325 5.912,326 3.667,327 2.69,328 3.119,330 8.322,331 2.63,332 3.438,333 2.676,334 5.259,335 3.103,336 2.157,337 2.81,339 6.529,340 2.037,341 3.37,342 2.404,343 5.033,344 2.921,345 1.984,346 2.603,347 5.676,348 1.903,349 3.349,350 2.064,351 4.863,352 2.901,353 1.92,354 2.583,355 5.16,356 1.82,357 2.861,358 1.625,359 4.34,360 2.395,361 1.463,362 2.015,363 3.865,364 1.377,365 2.8,366 1.543,367 3.891,368 2.392,369 1.414,370 1.881,371 3.069,372 1.358,373 2.556,374 1.373,375 3.796,376 2.055,377 1.083,378 1.522,379 2.694,380 1.049,381 2.535,382 1.311,383 3.598,384 1.998,385 1.033,386 1.485,387 2.591,388 0.991,389 2.313,390 1.089,391 3.392,392 1.752,393 0.813,394 1.148,395 1.926,396 0.76,397 1.999,398 0.85,399 3.3,400 1.571,401 0.618,402 0.801,403 1.571,404 0.589,405 1.631,406 0.704,407 3.259,408 1.43,409 0.519,410 0.558,411 1.285,412 0.467,413 1.095,414 0.534,415 2.82,416 0.749,417 -0.189,418 -0.225,419 -0.435,420 -0.175,421 13.9,422 0.463,423 0.92,424 0.031,425 41.25,426 1.375,427 20.5,428 0.683,429 20.75,430 0.692,431 22.67,432 0.756,433 32.9,434 0.685,435 33.519,436 1.117,437 8.024,438 0.267,439 6.314,440 0.21,441 0.125,442 0.06,443 0.317,447 0.748,448 1.488,449 0.744,450 1.315,451 0.777,452 0.9,453 0.556,454 0.96,455 0.786,456 0.919,457 0.479,458 0.938,459 0.904,460 1.202,461 0.971,462 1.205,463 0.831,464 1.122,465 1.015,466 0.964,467 0.978,468 0.928,469 0.907,470 0.973,471 1.244,472 1.035,473 1.357,474 1.165,475 1.162,476 1.033,477 1.426,478 1.049,479 1.409,480 1.179,481 1.479,482 1.043,483 1.428,484 0.741,485 1.152,486 0.852,487 1.463,488 1.007,489 1.151,490 0.874,491 1.099,492 0.994,493 1.25,494 1.002,495 7,496 0.163,497 4,498 2.66,499 1.976,500 0.913,501 0.694,502 0.374,503 0.288,504 0.289,505 12919,506 44318,507 2.059,508 37.5,510 9,512 2,513 4,515 3,518 1.724,519 1.905,520 3.581,521 1.763,522 1,524 90.841,525 1.893,526 4.314,527 5.168,528 5.377,529 5.418,530 5.418,531 2.991,532 4.64,533 4.883,534 3.792,535 1649.64,536 8.489,537 23700.3,538 1,539 268.078,540 1.615,541 4.82,542 0.212,543 0.006,544 0.083,545 0.058,546 0.044,547 0.024,548 0.019,549 0.014,550 0.011,551 0.01,552 0.482,553 0.17,554 0.88,555 0.594,556 156.301,557 -0.047,558 -0.25,559 0.193,560 -0.155,561 -0.172,562 0.026,563 0.325,564 0.165,566 0.034,567 0.254,568 -0.043,569 -0.063,570 -0.188,571 -0.027,572 -0.183,573 -0.056,574 -0.123,575 0.078,576 -0.006,577 0.029,578 0.042,579 0.176,580 -0.01,581 -0.241,582 -0.027,583 -0.13,584 -0.037,585 -0.155,586 -0.032,587 -0.167,588 -0.095,589 -0.235,590 -0.113,591 -0.075,592 -0.09,593 -0.226,594 0.14,595 -0.143,596 0.09,597 -0.253,598 -0.028,599 -0.093,600 0.068,601 -0.021,602 0.056,603 -0.151,604 0.008,605 5.266,606 5.104,607 0.667,608 29.476,609 1.034,610 1.134,611 2.823,612 7.972,613 0.678,614 3.526,615 3.892,616 4.143,617 4.419,618 4.543,619 4.595,620 4.673,621 4.796,622 4.771,623 4.828,624 7.511,625 0.668,626 430.49,627 3.526,628 5.094,629 5.948,630 6.847,631 7.716,632 8.617,633 9.493,634 10.394,635 11.275,636 12.176,637 12.5,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 48,667 20,668 1,669 33,671 51,672 18,673 11,674 2,675 4,676 1,677 4,678 5,683 2,684 1,686 2,688 14,689 4,690 1,691 4,693 1,694 3,695 2,697 1,698 1,700 18,701 10,702 4,703 12,704 1,706 1,707 6,711 0.75,712 5,717 1,721 2,722 2,726 2,732 3,733 1,739 30,740 1,742 1,743 1,744 2,745 1,746 1,747 2,754 10.4,756 1,757 3,758 1,761 15.75,762 8.25,763 6.417,764 2.562,765 3.283,766 1.425,767 0.976,768 5.536,769 10.999,770 3.829,771 4.474,772 4.995,773 5.583,774 5.992,775 6.247,776 6.562,777 6.905,778 6.93,779 7.092,780 1,781 46,782 11.513,783 5.438,784 8.186,785 20.362,786 16.999,787 2.686,788 80.583,789 164.795,790 102.81,791 101.558,793 120.687,795 7.511,796 95.299,797 285.482,798 101.558,800 23.532,801 97.266,802 207.909,803 15.419,804 4.472,805 141.253,807 164.795,808 196.857,809 120.687,810 7.511,812 131.197,813 147.455,814 8.545,815 42.668,816 83.164,817 76.82,819 164.795,820 222.245,821 102.81,823 7.511,824 164.795,825 21.205,826 75.994,827 16.405,828 203.94,829 164.795,830 222.245,831 102.81,833 0.595,834 0.343,835 0.186,836 0.092,837 24,838 11,839 0.118,840 6,841 1,842 1.1,843 4.15,844 265.281,845 0.1,846 20,847 145.207,848 1,849 20.442,850 8.125,851 4.373,852 1.085,853 220.345,854 8.548,855 12.255,856 -0.195,857 1.829,858 91.986,859 489.85,860 45,862 -4.35,863 36.27,864 3.728,866 -0.978,867 49.625,868 54.448,869 0.339,870 0.772,871 0.925,872 0.963,873 0.97,874 0.97,875 5.088,876 1.463,877 5.979,878 5.16,879 4.575,880 5.162,881 2.134,882 6.841,883 4.502,884 6.337,885 1.414,886 7.576,887 3.865,888 4.369,889 5.255,891 8.005,892 4.293,893 7.691,894 1.083,895 9.28,896 3.069,897 6.263,898 7.489,899 2.736,900 11.031,901 6.132,902 9.086,903 1.033,904 11.046,905 2.694,906 6.858,907 8.407,909 12.981,910 6.72,911 10.516,912 0.813,913 12.852,914 2.591,915 8.269,916 10.171,917 3.522,918 15.584,919 8.087,920 11.97,921 0.618,922 14.684,923 1.926,924 9.192,925 11.429,927 17.819,928 8.995,929 13.442,930 0.519,931 16.534,932 1.571,933 10.436,934 13.032,935 4.383,936 20.294,937 10.203,938 3.245,939 -0.189,940 18.398,941 1.285,942 11.495,943 14.432,945 22.639,946 11.24,947 3.228,948 11.502,949 20.271,950 -0.435,951 12.681,952 15.975,953 5.276,954 25.075,955 12.394,956 2.886,957 11.103,958 22.153,959 4.596,960 13.798,961 17.435,963 27.464,964 13.486,965 2.69,966 9.482,967 24.04,968 4.488,969 14.966,970 18.957,971 6.182,972 29.889,973 14.623,974 2.157,975 8.322,976 25.932,977 3.899,978 16.108,979 20.444,981 32.297,982 15.739,983 1.984,984 6.529,985 27.828,986 3.119,987 17.271,988 21.958,989 7.092,990 34.721,991 16.874,992 1.92,993 5.676,994 29.727,995 2.81,996 18.425,997 23.458,999 37.139,1000 18.002,1001 12218,1002 22818,1003 21.671,1004 32.523,1005 50.571,1006 52.207,1007 51.815,1008 50.038,1009 50.106,1010 67.015,1011 6.161,1012 149.55,1013 48.174,1014 5.667,1015 6.473,1016 6.572,1017 5.307,1018 5.245,1019 7.596,1020 3.158,1021 18.725,1022 5.209,1023 15.92,1024 1.532,1025 1.582,1026 1.57,1027 1.516,1028 1.518,1029 2.031,1030 0.187,1031 4.532,1032 1.46,1033 4.121,1034 4.172,1035 4.709,1036 3.962,1037 7.725,1038 3.978,1039 3.987,1040 3.977,1041 4.086,1042 3.879,1043 7.428,1044 3.863,1045 3.861,1046 3.878,1047 3.856,1048 3.77,1049 6.999,1050 3.73,1051 3.768,1052 3.755,1053 3.719,1054 3.673,1055 6.468,1056 3.609,1057 3.317,1058 3.4,1059 3.244,1060 3.059,1061 5.268,1062 3.094,1063 3.195,1064 3.212,1065 3.169,1066 2.984,1067 4.875,1068 3.006,1069 3.04,1070 3.123,1071 2.935,1072 2.827,1073 4.612,1074 2.82,1075 2.964,1076 3.037,1077 2.826,1078 2.746,1079 4.557,1080 2.749,1081 0.143,1082 0.136,1083 0.209,1084 0.128,1085 0.098,1086 4.704,1087 0.139,1088 4.473,1089 0.048,1090 6.887,1091 0.349,1092 4.231,1093 0.097,1094 3.245,1095 4.596,1096 1.579,1097 11.502,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.017,1103 1.259,1104 2.007,1105 1.821,1106 1.774,1107 1.899,1108 2.004,1109 1.066,1110 1.982,1111 1.679,1112 1.69,1113 1.834,1114 1.859,1115 1.052,1116 1.879,1117 1.571,1118 1.513,1119 1.708,1120 1.779,1121 0.758,1122 1.765,1123 1.496,1124 1.506,1125 1.356,1126 1.672,1127 0.588,1128 1.702,1129 1.162,1130 1.09,1131 1.339,1132 1.415,1133 0.366,1134 1.405,1135 1.041,1136 1.041,1137 1.223,1138 1.285,1139 0.31,1140 1.261,1141 0.883,1142 0.839,1143 1.143,1144 1.209,1145 0.194,1146 1.204,1147 4.205,1149 5.557,1150 3.045,1151 7.086,1152 5.352,1153 8.696,1154 7.424,1155 10.349,1161 5.926,1162 9.664,1163 0.387,1164 1.786,1165 4.955,1166 -0.328,1170 32.05,1171 90.841,1172 207.059,1173 248.078,1174 258.078,1175 260.078,1176 260.078,1177 72.973,1178 7.716,1179 162.32,1180 170.7,1181 22,1182 12.701,1183 4.392,1184 3.7,1185 47.349,1186 139,1187 114,1188 0.166,1189 199.39,1190 342.52,1191 478.272,1192 26475,1194 21.303,1195 0.71,1196 0.545,1197 21.553,1198 16.359,1199 14.338,1200 0.434,1201 0.314,1202 8.882,1203 12.852,1204 8.66,1205 7.133,1206 15.192,1207 10.355,1208 13.736,1209 0.286,1210 0.168,1211 15.045,1212 8.066,1213 11.001,1214 0.177,1215 0.09,1216 11.849,1217 5.586,1218 9.484,1219 0.116,1220 0.049,1221 10.344,1222 4.024,1223 6.821,1224 0.073,1225 0.028,1226 7.565,1227 2.608,1228 0.268,1229 100.142,1230 0.215,1231 28.687,1232 0.438,1233 162,1234 580.178,1235 219.804,1236 571.028,1237 763.33,1238 524,1239 191,1240 528.983,1241 258.964,1242 568.758,1243 830.82,1244 531,1245 6.081}
{0 CHEMBL385125,1 1.872,2 12.633,3 0.806,4 0.649,5 106.127,6 8.65,7 0.485,8 4.058,9 4.156,10 3.879,11 3.541,12 5.222,13 3.553,14 4.609,15 4.746,16 4.17,17 3.946,18 6.026,19 3.937,20 4.853,21 5.042,22 4.186,23 4.062,24 5.984,25 4.014,26 4.949,27 5.151,28 4.229,29 4.026,30 6.372,31 3.981,32 4.857,33 5.06,34 4.117,35 3.975,36 6.019,37 3.9,38 4.82,39 5.003,40 4.022,41 3.838,42 6.25,43 3.811,44 4.696,45 4.907,46 3.745,47 3.693,48 5.926,49 3.633,50 4.473,51 4.673,52 3.713,53 3.594,54 5.694,55 3.525,56 0.234,57 0.816,58 11.599,59 4.319,60 34.448,61 4.767,62 0.816,63 1.261,64 18.612,65 7.513,66 86.706,67 8.96,68 0.727,69 1.465,70 29.141,71 10.228,72 84.423,73 12.468,74 1.319,75 1.462,76 34.253,77 10.24,78 185.122,79 12.549,80 0.947,81 1.378,82 35.999,83 9.99,84 113.702,85 11.298,86 1.217,87 1.232,88 34.518,89 8.549,90 182.832,91 9.456,92 1.033,93 1.03,94 27.571,95 7.649,96 124.163,97 9.037,98 0.71,99 0.89,100 22.209,101 6.783,102 90.413,103 8.154,104 26,105 48,106 0.312,107 0.697,108 0.836,109 0.894,110 0.901,111 0.901,112 3.44,113 0.97,114 -4.13,115 -4.07,116 -3.85,119 36,121 3,122 1,125 1,127 1,134 4,135 1,136 1,139 1,140 1,141 1,144 1,147 1,149 1,152 1,153 1,154 1,157 7,159 6,160 4,162 1,163 5,165 3,166 7,168 2,169 5,170 1,171 1,173 3,175 2,177 4,178 10,180 2,181 3,182 1,183 4,187 1,188 14,192 5,195 2,198 13,201 3,203 3,206 1,208 2,211 3,212 5,215 1,220 3,223 2,224 1,226 1,227 1,229 1,232 5,234 3,235 1,238 1,240 2,243 6,246 1414,247 19.861,248 19.861,249 19.861,250 19.861,251 19.861,252 17.45,253 18.937,254 11.456,255 20.238,256 16.265,257 16.265,258 16.265,259 16.265,260 16.265,261 12.573,262 18.632,263 5.406,264 16.906,265 3.772,266 1.46,267 0.63,268 0.28,269 0.24,270 0.24,271 4.13,274 1,275 1,276 825,277 4,280 157.769,281 201.931,282 133.186,284 1.949,285 51.599,286 0.75,287 0.83,288 0.83,289 0.7,291 0.67,292 0.5,293 0.61,294 68,295 379,296 4.704,297 4.473,298 6.887,299 4.231,300 3.245,301 4.595,302 1.579,303 11.502,304 3.209,305 4.647,306 3.555,307 6.764,308 4.175,309 3.228,310 4.488,311 0.98,312 11.103,313 3.041,314 4.278,315 3.304,316 6.341,317 3.877,318 2.886,319 3.899,321 9.482,322 2.856,323 3.809,324 2.749,325 5.912,326 3.667,327 2.69,328 3.017,330 8.322,331 2.63,332 3.429,333 2.676,334 5.259,335 3.103,336 2.157,337 2.806,339 6.529,340 2.037,341 3.361,342 2.271,343 5.033,344 2.921,345 1.984,346 2.593,347 5.676,348 1.903,349 3.326,350 2.052,351 4.863,352 2.901,353 1.92,354 2.469,355 5.16,356 1.82,357 2.861,358 1.559,359 4.34,360 2.395,361 1.463,362 2.015,363 3.865,364 1.377,365 2.792,366 1.542,367 3.891,368 2.392,369 1.414,370 1.878,371 3.069,372 1.358,373 2.55,374 1.312,375 3.796,376 2.055,377 1.083,378 1.514,379 2.694,380 1.049,381 2.454,382 1.297,383 3.598,384 1.998,385 1.033,386 1.437,387 2.591,388 0.991,389 2.144,390 1.016,391 3.392,392 1.752,393 0.813,394 1.036,395 1.926,396 0.76,397 1.732,398 0.81,399 3.3,400 1.571,401 0.618,402 0.681,403 1.571,404 0.589,405 1.589,406 0.64,407 3.259,408 1.43,409 0.519,410 0.545,411 1.285,412 0.467,413 1.095,414 0.5,415 2.82,416 0.749,417 -0.189,418 -0.225,419 -0.435,420 -0.175,421 13.9,422 0.463,423 0.92,424 0.031,425 40.25,426 1.342,427 19.5,428 0.65,429 20.75,430 0.692,431 24.272,432 0.809,433 33.5,434 0.67,435 31.917,436 1.064,437 7.544,438 0.251,439 6.794,440 0.226,441 0.125,442 0.06,443 0.317,447 0.738,448 1.53,449 0.756,450 1.346,451 0.756,452 0.942,453 0.535,454 0.991,455 0.782,456 0.949,457 0.449,458 0.967,459 0.856,460 1.19,461 0.939,462 1.185,463 0.769,464 1.111,465 0.985,466 0.93,467 0.931,468 0.888,469 0.847,470 0.932,471 1.226,472 1.055,473 1.389,474 1.21,475 1.133,476 1.059,477 1.481,478 1.039,479 1.488,480 1.191,481 1.555,482 1.065,483 1.464,484 0.72,485 1.156,486 0.815,487 1.516,488 0.99,489 1.124,490 0.868,491 1.055,492 0.974,493 1.253,494 0.988,495 7,496 0.163,497 4,498 2.66,499 1.976,500 0.913,501 0.694,502 0.374,503 0.288,504 0.289,505 12919,506 43039,507 2.059,508 40,509 2,510 7,512 2,513 4,515 5,518 1.724,519 1.905,520 3.581,521 1.763,522 1,524 93.576,525 1.872,526 4.184,527 5.014,528 5.364,529 5.404,530 5.404,531 2.991,532 4.64,533 4.883,534 3.792,535 1649.64,536 8.489,537 23700.3,538 1,539 282.193,540 1.615,541 4.82,542 0.212,543 0.006,544 0.083,545 0.058,546 0.044,547 0.024,548 0.019,549 0.014,550 0.011,551 0.01,552 0.482,553 0.17,554 0.88,555 0.594,556 156.301,557 -0.036,558 -0.255,559 0.197,560 -0.152,561 -0.147,562 0.024,563 0.334,564 0.144,565 0.023,566 0.027,567 0.276,568 -0.034,569 -0.037,570 -0.177,571 0.002,572 -0.164,573 -0.019,574 -0.098,575 0.092,576 0.008,577 0.075,578 0.07,579 0.191,580 0.041,581 -0.227,582 -0.043,583 -0.149,584 -0.064,585 -0.158,586 -0.058,587 -0.207,588 -0.068,589 -0.295,590 -0.125,591 -0.124,592 -0.128,593 -0.249,594 0.161,595 -0.162,596 0.095,597 -0.27,598 -0.036,599 -0.073,600 0.06,601 0.008,602 0.063,603 -0.148,604 0.025,605 5.232,606 5.128,607 0.667,608 29.476,609 1.03,610 1.137,611 2.896,612 8.386,613 0.666,614 3.526,615 3.892,616 4.143,617 4.419,618 4.543,619 4.595,620 4.673,621 4.796,622 4.771,623 4.828,624 7.511,625 0.652,626 432.51,627 3.526,628 5.094,629 5.948,630 6.847,631 7.716,632 8.617,633 9.493,634 10.394,635 11.275,636 12.176,637 12,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 50,667 19,668 1,669 33,671 53,672 18,673 11,674 2,675 4,676 1,677 4,678 5,683 4,684 1,686 4,688 12,689 6,690 1,691 3,693 1,694 3,697 1,698 1,700 20,701 10,702 4,703 12,704 1,706 1,707 6,711 0.75,712 5,717 1,721 2,722 2,732 3,733 1,739 30,740 1,742 1,743 1,744 4,745 1,746 1,747 2,754 10,756 1,757 3,758 1,761 15.75,762 8.583,763 6.417,764 2.812,765 2.897,766 1.376,767 0.972,768 5.711,769 10.614,770 3.807,771 4.451,772 4.96,773 5.545,774 5.949,775 6.166,776 6.452,777 6.764,778 6.705,779 6.802,780 1,781 46,782 11.526,783 5.436,784 8.153,785 20.581,786 17.355,787 2.653,788 79.583,789 188.338,790 88.927,791 101.558,793 120.687,795 7.511,796 81.416,797 309.024,798 101.558,800 28.601,801 78.313,802 207.909,803 15.419,804 4.472,805 164.795,807 188.338,808 182.974,809 120.687,810 7.511,812 131.197,813 170.997,814 8.545,815 47.737,816 83.164,817 57.868,819 188.338,820 222.245,821 88.927,823 7.511,824 188.338,825 26.274,826 57.041,827 16.405,828 203.94,829 188.338,830 222.245,831 88.927,833 0.595,834 0.343,835 0.186,836 0.092,837 24,838 11,839 0.113,840 6,841 1,842 1.1,843 4.15,844 265.281,845 0.1,846 20,847 145.207,848 1,849 20.691,850 8.281,851 4.473,852 1.17,853 220.345,854 8.655,855 12.337,856 -0.135,857 1.916,858 91.986,859 499.509,860 44,862 -4.316,863 36.333,866 -0.96,867 51.509,868 56.863,869 0.332,870 0.741,871 0.888,872 0.95,873 0.957,874 0.957,875 5.069,876 1.463,877 5.979,878 5.16,879 4.575,880 5.139,881 2.068,882 6.841,883 4.502,884 6.314,885 1.414,886 7.576,887 3.865,888 4.369,889 5.255,891 8.005,892 4.293,893 7.669,894 1.083,895 9.28,896 3.069,897 6.263,898 7.467,899 2.727,900 11.031,901 6.132,902 9.065,903 1.033,904 11.046,905 2.694,906 6.858,907 8.401,909 12.981,910 6.72,911 10.496,912 0.813,913 12.852,914 2.591,915 8.269,916 10.157,917 3.52,918 15.584,919 8.087,920 11.951,921 0.618,922 14.684,923 1.926,924 9.192,925 11.423,927 17.819,928 8.995,929 13.424,930 0.519,931 16.534,932 1.571,933 10.436,934 13.023,935 4.383,936 20.294,937 10.203,938 3.245,939 -0.189,940 18.398,941 1.285,942 11.495,943 14.427,945 22.639,946 11.24,947 3.228,948 11.502,949 20.271,950 -0.435,951 12.681,952 15.969,953 5.276,954 25.075,955 12.394,956 2.886,957 11.103,958 22.153,959 4.595,960 13.798,961 17.432,963 27.464,964 13.486,965 2.69,966 9.482,967 24.04,968 4.488,969 14.966,970 18.953,971 6.182,972 29.889,973 14.623,974 2.157,975 8.322,976 25.932,977 3.899,978 16.108,979 20.441,981 32.297,982 15.739,983 1.984,984 6.529,985 27.828,986 3.017,987 17.271,988 21.955,989 7.092,990 34.721,991 16.874,992 1.92,993 5.676,994 29.727,995 2.806,996 18.425,997 23.455,999 37.139,1000 18.002,1001 12218,1002 22494,1003 21.671,1004 33.284,1005 50.023,1006 52.039,1007 51.815,1008 50.038,1009 50.106,1010 65.948,1011 5.118,1012 149.55,1013 48.174,1014 5.682,1015 6.473,1016 6.572,1017 5.307,1018 5.245,1019 7.595,1020 3.158,1021 18.725,1022 5.209,1023 15.92,1024 1.516,1025 1.577,1026 1.57,1027 1.516,1028 1.518,1029 1.998,1030 0.155,1031 4.532,1032 1.46,1033 4.121,1034 4.174,1035 4.709,1036 3.957,1037 7.725,1038 3.973,1039 3.987,1040 3.978,1041 4.084,1042 3.879,1043 7.428,1044 3.863,1045 3.861,1046 3.884,1047 3.856,1048 3.769,1049 6.999,1050 3.722,1051 3.771,1052 3.759,1053 3.699,1054 3.664,1055 6.468,1056 3.604,1057 3.326,1058 3.409,1059 3.249,1060 3.073,1061 5.267,1062 3.105,1063 3.199,1064 3.227,1065 3.169,1066 2.985,1067 4.872,1068 3.006,1069 3.063,1070 3.128,1071 2.95,1072 2.858,1073 4.611,1074 2.849,1075 2.985,1076 3.075,1077 2.836,1078 2.746,1079 4.489,1080 2.749,1081 0.143,1082 0.136,1083 0.209,1084 0.128,1085 0.098,1086 4.704,1087 0.139,1088 4.473,1089 0.048,1090 6.887,1091 0.349,1092 4.231,1093 0.097,1094 3.245,1095 4.595,1096 1.579,1097 11.502,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.022,1103 1.306,1104 2.008,1105 1.826,1106 1.779,1107 1.92,1108 2.005,1109 1.256,1110 1.99,1111 1.695,1112 1.695,1113 1.892,1114 1.874,1115 1.064,1116 1.896,1117 1.591,1118 1.529,1119 1.745,1120 1.804,1121 0.815,1122 1.795,1123 1.508,1124 1.52,1125 1.391,1126 1.701,1127 0.623,1128 1.736,1129 1.183,1130 1.106,1131 1.344,1132 1.451,1133 0.445,1134 1.44,1135 1.044,1136 1.042,1137 1.245,1138 1.296,1139 0.323,1140 1.273,1141 0.883,1142 0.839,1143 1.144,1144 1.219,1145 0.196,1146 1.211,1147 4.205,1149 5.557,1150 3.045,1151 7.086,1152 5.352,1153 8.696,1154 7.424,1155 10.349,1161 5.95,1162 9.673,1163 2.111,1164 1.811,1165 5.007,1166 0.033,1170 32.577,1171 93.576,1172 209.199,1173 250.683,1174 268.193,1175 270.193,1176 270.193,1177 74.779,1178 7.716,1179 162.32,1180 170.7,1181 22,1182 12.701,1183 4.322,1184 3.585,1185 47.349,1186 139,1187 114,1188 0.166,1189 202.318,1190 345.16,1191 485.415,1192 26475,1194 21.303,1195 0.71,1196 0.554,1197 21.553,1198 16.618,1199 14.338,1200 0.434,1201 0.323,1202 9.199,1203 12.852,1204 8.972,1205 7.387,1206 15.192,1207 10.671,1208 13.736,1209 0.286,1210 0.176,1211 15.045,1212 8.451,1213 11.001,1214 0.177,1215 0.097,1216 11.849,1217 6.008,1218 9.484,1219 0.116,1220 0.054,1221 10.344,1222 4.446,1223 6.821,1224 0.073,1225 0.031,1226 7.565,1227 2.904,1228 0.268,1229 100.142,1230 0.215,1231 28.687,1232 0.438,1233 162,1234 570.178,1235 219.804,1236 560.334,1237 748.39,1238 514,1239 191,1240 517.983,1241 258.964,1242 557.113,1243 813.73,1244 520,1245 7.215}
{0 CHEMBL387162,1 1.947,2 12.613,3 -0.761,4 0.58,5 103.917,6 9.193,7 0.471,8 4.065,9 4.147,10 3.916,11 3.493,12 5.296,13 3.54,14 4.603,15 4.714,16 4.227,17 3.876,18 6.095,19 3.916,20 4.828,21 4.974,22 4.265,23 3.977,24 6.127,25 3.988,26 4.892,27 5.057,28 4.306,29 3.939,30 6.419,31 3.96,32 4.851,33 5.019,34 4.234,35 3.9,36 6.246,37 3.885,38 4.791,39 4.953,40 4.15,41 3.784,42 6.296,43 3.801,44 4.685,45 4.853,46 3.902,47 3.647,48 6.201,49 3.648,50 4.495,51 4.681,52 3.764,53 3.564,54 5.776,55 3.526,56 0.351,57 0.787,58 10.219,59 4.077,60 51.236,61 3.973,62 1.01,63 1.178,64 16.453,65 6.882,66 102.292,67 7.21,68 1.259,69 1.328,70 26.485,71 9.103,72 131.054,73 9.716,74 1.525,75 1.325,76 29.406,77 8.763,78 204.86,79 9.63,80 1.499,81 1.239,82 31.769,83 8.957,84 164.61,85 9.488,86 1.433,87 1.12,88 32.733,89 8.353,90 202.188,91 8.857,92 1.443,93 0.97,94 25.729,95 6.829,96 185.965,97 7.038,98 0.937,99 0.858,100 21.673,101 6.5,102 119.857,103 7.378,104 37,105 50,106 0.326,107 0.739,108 0.871,109 0.905,110 0.912,111 0.912,112 3.472,113 0.919,114 -2.87,115 -2.87,116 -2.78,119 34.7,121 1,125 1,127 2,128 1,134 4,135 1,136 1,139 1,140 1,141 1,144 1,147 1,149 1,152 1,153 1,154 1,157 4,159 7,160 2,162 1,163 5,165 4,166 4,168 3,169 3,170 1,171 3,173 3,175 2,177 5,178 5,180 2,181 3,182 1,183 3,187 5,188 7,189 1,190 4,192 2,198 8,201 5,202 1,203 1,205 1,208 1,211 4,212 5,215 3,216 1,220 1,223 2,224 1,226 1,227 1,232 1,234 3,235 3,238 3,240 2,243 2,246 1560,247 20.361,248 20.361,249 20.361,250 20.361,251 20.361,252 17.95,253 21.349,254 11.67,255 20.882,256 16.749,257 16.749,258 16.749,259 16.749,260 16.749,261 13.061,262 27.341,263 5.503,264 17.671,265 3.667,266 1.197,267 0.408,268 0.204,269 0.163,270 0.163,271 4.159,275 1,276 848,277 4.062,280 162.942,281 209.213,282 136.91,284 1.908,285 63.222,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 72,295 391,296 4.704,297 4.473,298 6.939,299 4.232,300 3.277,301 4.597,302 1.579,303 11.693,304 3.208,305 4.656,306 3.556,307 6.764,308 4.197,309 3.234,310 4.488,311 1.041,312 11.103,313 3.036,314 4.278,315 3.496,316 6.341,317 3.878,318 2.89,319 3.899,320 0.98,321 9.483,322 2.856,323 3.96,324 3.048,325 6.235,326 3.77,327 2.835,328 3.117,330 9.227,331 2.636,332 3.433,333 2.677,334 5.3,335 3.09,336 2.162,337 2.809,339 6.609,340 2,341 3.362,342 2.416,343 5.034,344 2.924,345 1.991,346 2.594,347 5.678,348 1.902,349 3.335,350 2.108,351 4.871,352 2.904,353 1.92,354 2.537,355 5.171,356 1.824,357 2.921,358 1.991,359 4.811,360 2.648,361 1.736,362 2.015,363 4.935,364 1.575,365 2.861,366 1.543,367 4.047,368 2.392,369 1.414,370 1.974,371 3.166,372 1.377,373 2.627,374 1.538,375 3.889,376 2.168,377 1.259,378 1.668,379 3.07,380 1.14,381 2.55,382 1.34,383 3.745,384 2.051,385 1.045,386 1.511,387 2.614,388 1.045,389 2.292,390 1.311,391 3.6,392 1.834,393 0.936,394 1.224,395 2.453,396 0.837,397 1.922,398 1.045,399 3.392,400 1.571,401 0.695,402 0.834,403 1.738,404 0.606,405 1.673,406 0.79,407 3.304,408 1.46,409 0.56,410 0.607,411 1.41,412 0.498,413 1.095,414 0.549,415 2.84,416 0.749,417 -0.188,418 -0.224,419 -0.434,420 -0.174,421 14.067,422 0.454,423 1.009,424 0.033,425 41.5,426 1.339,427 19.5,428 0.629,429 22,430 0.71,431 24.397,432 0.787,433 35.133,434 0.717,435 35.571,436 1.147,437 8.201,438 0.265,439 6.548,440 0.211,441 0.147,442 0.059,443 0.348,447 0.857,448 1.575,449 0.748,450 1.373,451 0.856,452 0.912,453 0.758,454 0.976,455 0.801,456 0.934,457 0.592,458 0.921,459 1.059,460 1.162,461 1.007,462 1.133,463 0.947,464 1.069,465 1.061,466 1.008,467 0.974,468 0.985,469 0.942,470 0.977,471 1.085,472 0.914,473 1.241,474 1.073,475 1.139,476 1.023,477 1.225,478 1.096,479 1.31,480 1.247,481 1.239,482 1.032,483 1.375,484 0.728,485 1.311,486 0.869,487 1.426,488 1.036,489 1.138,490 0.9,491 1.102,492 1.004,493 1.258,494 1.036,495 7.5,496 0.213,497 4.222,498 3.132,499 2.091,500 1.16,501 0.839,502 0.411,503 0.319,504 0.313,505 13652,506 49948,507 2.038,508 36.7,510 8,511 1,512 2,513 5,516 2,518 1.734,519 1.869,520 3.583,521 2.573,524 95.414,525 1.947,526 4.417,527 5.207,528 5.411,529 5.451,530 5.451,531 3.011,532 4.761,533 4.93,534 3.787,535 1760.83,536 8.592,537 25611.5,539 275.121,540 1.663,541 4.859,542 0.221,543 0.007,544 0.084,545 0.064,546 0.044,547 0.028,548 0.021,549 0.013,550 0.012,551 0.01,552 0.504,553 0.17,554 0.88,555 0.618,556 162.513,557 -0.121,558 -0.293,559 0.168,560 -0.164,561 -0.204,562 0.029,563 0.171,564 0.16,565 -0.014,566 0.036,567 0.164,568 -0.028,569 -0.079,570 -0.154,571 -0.054,572 -0.109,573 -0.096,574 -0.092,575 -0.006,576 -0.037,577 0.022,578 -0.025,579 0.112,580 -0.028,581 -0.014,582 0.068,583 -0.077,584 0.008,585 -0.092,586 -0.047,587 -0.079,588 -0.153,589 -0.101,590 -0.139,591 -0.014,592 -0.045,593 -0.167,594 0.188,595 -0.272,596 0.064,597 -0.132,598 -0.115,599 -0.142,600 0.024,601 -0.03,602 0.027,603 -0.194,604 -0.004,605 5.411,606 5.091,607 0.645,608 30.289,609 1.047,610 1.14,611 1.636,612 2.678,613 0.662,614 3.555,615 3.932,616 4.19,617 4.477,618 4.615,619 4.673,620 4.771,621 4.883,622 4.875,623 4.927,624 7.477,625 0.663,626 450.48,627 3.555,628 5.13,629 5.989,630 6.895,631 7.77,632 8.677,633 9.561,634 10.469,635 11.357,636 12.265,637 12.2,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 49,667 19,668 1,669 34,671 52,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,698 1,700 18,701 12,702 5,703 14,704 1,706 1,707 6,711 0.75,712 7,714 1,715 1,717 1,721 2,722 2,730 1,731 1,732 3,733 1,739 31,740 1,742 1,743 2,744 2,745 1,746 2,747 3,754 14.3,755 1,756 1,757 3,758 2,761 16.583,762 8.283,763 6.611,764 2.518,765 2.864,766 1.369,767 0.939,768 5.896,769 10.631,770 3.829,771 4.474,772 4.981,773 5.568,774 5.977,775 6.204,776 6.505,777 6.812,778 6.79,779 6.901,780 1,781 49,782 12.016,783 5.816,784 8.32,785 20.757,786 17.304,787 2.82,788 87.417,789 153.024,790 83.858,791 101.558,793 174.37,795 7.511,796 76.347,797 327.394,798 101.558,800 23.532,801 120.997,802 218.909,803 15.419,804 16.243,805 117.711,807 153.024,808 177.905,809 174.37,810 7.511,812 131.197,813 135.683,814 62.229,815 42.668,816 83.164,817 57.868,819 153.024,820 275.928,821 83.858,823 7.511,824 153.024,825 21.205,826 57.041,827 16.405,828 257.624,829 153.024,830 275.928,831 83.858,833 0.598,834 0.347,835 0.189,836 0.095,837 25,838 12,839 0.115,840 6,841 1,842 1.1,843 4.17,844 280.643,845 0.1,846 20,847 149.58,848 1,849 21.578,850 8.47,851 4.521,852 0.688,853 274.029,854 8.092,855 11.956,856 -0.461,857 1.462,858 134.669,859 512.81,860 45,862 -4.495,863 36.24,866 -1.052,867 51.28,868 55.867,869 0.347,870 0.787,871 0.927,872 0.964,873 0.971,874 0.971,875 5.1,876 1.736,877 6.028,878 5.171,879 4.615,880 5.162,881 2.31,882 6.903,883 4.512,884 6.347,885 1.414,886 7.635,887 4.935,888 4.443,889 5.286,891 8.074,892 4.327,893 7.704,894 1.259,895 9.347,896 3.166,897 6.315,898 7.482,899 2.87,900 11.115,901 6.131,902 9.101,903 1.045,904 11.119,905 3.07,906 6.929,907 8.416,909 13.067,910 6.73,911 10.531,912 0.936,913 12.93,914 2.614,915 8.334,916 10.167,917 3.593,918 15.682,919 8.082,920 11.985,921 0.695,922 14.766,923 2.453,924 9.27,925 11.432,927 17.92,928 8.996,929 13.457,930 0.56,931 16.62,932 1.738,933 10.514,934 13.03,935 4.417,936 20.406,937 10.197,938 3.277,939 -0.188,940 18.487,941 1.41,942 11.582,943 14.432,945 22.755,946 11.238,947 3.234,948 11.693,949 20.364,950 -0.434,951 12.77,952 15.974,953 5.291,954 25.2,955 12.388,956 2.89,957 11.103,958 22.249,959 4.597,960 13.894,961 17.436,963 27.596,964 13.481,965 2.835,966 9.483,967 24.139,968 4.488,969 15.064,970 18.957,971 6.188,972 30.03,973 14.617,974 2.162,975 9.227,976 26.034,977 3.899,978 16.212,979 20.445,981 32.448,982 15.733,983 1.991,984 6.609,985 27.933,986 3.117,987 17.378,988 21.958,989 7.095,990 34.881,991 16.866,992 1.92,993 5.678,994 29.835,995 2.809,996 18.537,997 23.459,999 37.31,1000 17.994,1001 12974,1002 25000,1003 22.076,1004 32.432,1005 52.09,1006 54.231,1007 54.194,1008 51.804,1009 51.909,1010 67.749,1011 7.2,1012 156.701,1013 49.079,1014 5.682,1015 6.473,1016 6.623,1017 5.347,1018 5.277,1019 7.597,1020 3.158,1021 19.134,1022 5.208,1023 17.74,1024 1.532,1025 1.595,1026 1.594,1027 1.524,1028 1.527,1029 1.993,1030 0.212,1031 4.609,1032 1.444,1033 4.11,1034 4.159,1035 4.709,1036 3.927,1037 7.725,1038 3.951,1039 3.987,1040 3.976,1041 4.081,1042 3.875,1043 7.428,1044 3.863,1045 3.852,1046 3.847,1047 3.856,1048 3.763,1049 6.999,1050 3.686,1051 3.742,1052 3.74,1053 3.683,1054 3.576,1055 6.469,1056 3.562,1057 3.326,1058 3.408,1059 3.248,1060 3.074,1061 6.449,1062 3.105,1063 3.204,1064 3.233,1065 3.17,1066 2.985,1067 5.269,1068 3.008,1069 3.085,1070 3.129,1071 2.983,1072 2.86,1073 4.878,1074 2.864,1075 2.992,1076 3.08,1077 2.873,1078 2.746,1079 4.627,1080 2.749,1081 0.138,1082 0.132,1083 0.204,1084 0.124,1085 0.096,1086 4.704,1087 0.135,1088 4.473,1089 0.046,1090 6.939,1091 0.344,1092 4.232,1093 0.094,1094 3.277,1095 4.597,1096 1.579,1097 11.693,1098 3.208,1099 1.897,1100 1.883,1101 1.991,1102 2.014,1103 1.225,1104 2.006,1105 1.808,1106 1.763,1107 1.873,1108 2.004,1109 1.065,1110 1.974,1111 1.653,1112 1.676,1113 1.812,1114 1.856,1115 1.019,1116 1.873,1117 1.543,1118 1.521,1119 1.632,1120 1.788,1121 0.757,1122 1.766,1123 1.437,1124 1.404,1125 1.38,1126 1.675,1127 0.571,1128 1.677,1129 1.138,1130 1.083,1131 1.324,1132 1.437,1133 0.421,1134 1.411,1135 1.02,1136 1.019,1137 1.172,1138 1.279,1139 0.206,1140 1.253,1141 0.883,1142 0.839,1143 1.141,1144 1.214,1145 0.171,1146 1.2,1147 4.234,1149 5.595,1150 3.045,1151 7.132,1152 5.416,1153 8.75,1154 7.526,1155 10.411,1161 5.859,1162 20.032,1163 -0.406,1164 1.704,1165 10.524,1166 -2.727,1170 32.48,1171 95.414,1172 216.45,1173 255.121,1174 265.121,1175 267.121,1176 267.121,1177 85.257,1178 7.767,1179 191.78,1180 200.16,1181 22,1182 12.785,1183 4.322,1184 3.585,1185 49.671,1186 142,1187 123,1188 0.17,1189 200.718,1190 345.44,1191 481.512,1192 27544,1194 22.173,1195 0.715,1196 0.537,1197 22.423,1198 16.637,1199 14.749,1200 0.434,1201 0.306,1202 8.895,1203 13.087,1204 8.718,1205 7.12,1206 15.602,1207 10.418,1208 14.275,1209 0.286,1210 0.161,1211 15.584,1212 8.07,1213 11.405,1214 0.175,1215 0.084,1216 12.253,1217 5.491,1218 9.915,1219 0.114,1220 0.045,1221 10.775,1222 3.936,1223 7.224,1224 0.072,1225 0.025,1226 7.962,1227 2.523,1228 0.273,1229 104,1230 0.213,1231 29.339,1232 0.454,1233 168,1234 652.063,1235 232.226,1236 626.73,1237 830.73,1238 576,1239 199,1240 569.71,1241 274.051,1242 603.549,1243 888.43,1244 564,1245 8.495}
{0 CHEMBL392739,1 1.825,2 12.645,3 -1.111,4 1.235,5 104.438,6 8.589,7 0.471,8 4.077,9 4.184,10 3.723,11 3.465,12 5.366,13 3.53,14 4.58,15 4.713,16 4.13,17 3.867,18 5.891,19 3.915,20 4.87,21 5.03,22 4.229,23 3.963,24 6.262,25 4.004,26 4.923,27 5.109,28 4.163,29 3.92,30 6.369,31 3.948,32 4.856,33 5.064,34 4.019,35 3.843,36 6.168,37 3.855,38 4.76,39 4.953,40 4.003,41 3.745,42 6.23,43 3.775,44 4.688,45 4.88,46 3.859,47 3.674,48 6.13,49 3.684,50 4.588,51 4.793,52 3.711,53 3.593,54 5.954,55 3.586,56 0.345,57 0.792,58 8.55,59 3.51,60 43.591,61 4.105,62 0.715,63 1.193,64 15.773,65 6.218,66 67.256,67 7.381,68 1.273,69 1.336,70 25.6,71 7.848,72 141.064,73 9.985,74 1.47,75 1.307,76 29.313,77 7.598,78 172.382,79 10.123,80 1.266,81 1.196,82 28.542,83 7.185,84 141.453,85 9.968,86 1.232,87 1.078,88 25.426,89 6.48,90 159.745,91 8.992,92 1.191,93 1.014,94 23.342,95 6.025,96 147.923,97 7.982,98 0.935,99 0.913,100 21.572,101 5.87,102 135.351,103 8.088,104 37,105 49,106 0.305,107 0.726,108 0.868,109 0.917,110 0.931,111 0.931,112 3.472,113 0.81,114 -1.96,115 -2.01,116 -2.01,119 36,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,148 1,149 1,150 1,152 1,153 1,154 1,157 4,159 4,160 1,162 1,163 4,164 1,165 3,166 4,168 2,169 1,170 1,171 5,172 1,173 3,175 2,177 4,178 3,180 2,181 5,182 2,183 4,187 1,188 2,190 4,191 1,192 2,197 1,198 2,200 1,201 5,202 2,203 2,211 2,212 2,215 5,216 2,217 1,219 1,224 1,227 2,228 1,229 1,231 1,234 3,235 3,238 5,239 1,240 2,242 1,246 1635,247 20.621,248 20.621,249 20.621,250 20.621,251 20.621,252 18.393,253 21.225,254 11.865,255 21.186,256 16.696,257 16.696,258 16.696,259 16.696,260 16.696,261 13.334,262 23.494,263 5.56,264 17.68,265 3.819,266 1.306,267 0.455,268 0.16,269 0.08,270 0.08,271 4.161,276 850,277 3.742,280 161.995,281 208.128,282 136.076,284 1.938,285 58.906,286 0.5,287 0.67,288 0.67,289 0.6,291 0.5,292 0.5,293 0.49,294 71.5,295 392,296 4.641,297 3.699,298 6.924,299 4.222,300 3.298,301 4.581,302 1.671,303 11.609,304 3.043,305 4.319,306 3.584,307 6.53,308 3.959,309 3.004,310 3.92,311 1.041,312 10.118,313 2.934,314 4.144,315 3.383,316 6.393,317 3.939,318 2.964,319 3.326,320 0.986,321 9.661,322 2.811,323 3.714,324 3.126,325 5.894,326 3.383,327 2.433,328 2.961,329 0.139,330 7.942,331 2.31,332 3.641,333 2.672,334 5.264,335 3.279,336 2.331,337 2.885,339 6.435,340 2.187,341 3.279,342 2.592,343 5.164,344 2.894,345 1.934,346 2.462,347 5.839,348 1.858,349 3.054,350 2.234,351 4.797,352 2.764,353 1.79,354 2.323,355 4.855,356 1.716,357 3.018,358 1.969,359 4.657,360 2.478,361 1.581,362 2.099,363 4.619,364 1.413,365 2.861,366 1.549,367 4.142,368 2.443,369 1.541,370 2.014,371 3.671,372 1.385,373 2.725,374 1.543,375 4.068,376 2.392,377 1.414,378 1.752,379 3.055,380 1.376,381 2.538,382 1.318,383 3.772,384 2.039,385 1.044,386 1.485,387 2.925,388 1.033,389 2.413,390 1.311,391 3.566,392 1.944,393 1.032,394 1.384,395 2.556,396 0.936,397 2.101,398 1.229,399 3.307,400 1.663,401 0.766,402 0.995,403 1.824,404 0.685,405 1.732,406 0.888,407 3.193,408 1.532,409 0.61,410 0.657,411 1.424,412 0.556,413 1.099,414 0.809,415 2.703,416 0.826,417 -0.035,418 -0.037,419 -0.082,420 -0.03,421 13.8,422 0.445,423 0.895,424 0.029,425 40.25,426 1.298,427 18,428 0.581,429 22.25,430 0.718,431 24.52,432 0.791,433 34.8,434 0.696,435 34.831,436 1.124,437 8.305,438 0.268,439 6.558,440 0.212,441 0.15,443 0.428,447 1.021,448 1.502,449 0.747,450 1.079,451 0.898,452 0.852,453 0.837,454 1.064,455 0.824,456 1.078,457 0.731,458 0.972,459 1.041,460 1.184,461 0.957,462 1.131,463 0.975,464 1.047,465 1.114,466 0.963,467 1.084,468 0.973,469 1.021,470 1.015,471 1.103,472 0.921,473 1.067,474 0.947,475 1.137,476 0.975,477 1.022,478 0.998,479 0.986,480 0.985,481 1.059,482 0.973,483 1.116,484 0.858,485 1.193,486 0.966,487 1.216,488 1.079,489 1.068,490 1.054,491 1.093,492 1.09,493 1.123,494 1.096,495 6,496 0.238,497 4.667,498 3.174,499 1.816,500 1.122,501 0.722,502 0.457,503 0.321,504 0.249,505 13728,506 47899,507 2.046,508 38,510 9,511 1,512 2,513 7,518 1.734,519 1.879,520 3.608,521 4.242,524 91.262,525 1.825,526 4.338,527 5.189,528 5.484,529 5.564,530 5.564,531 3.048,532 4.825,533 4.928,534 3.806,535 1769.74,536 8.59,537 25796,539 282.193,540 1.514,541 4.866,542 0.176,543 0.008,544 0.095,545 0.062,546 0.039,547 0.028,548 0.019,549 0.014,550 0.011,551 0.009,552 0.462,553 0.17,554 0.75,555 0.618,556 162.707,557 -0.246,558 -0.225,559 -0.028,560 0.022,561 -0.193,562 0.07,563 0.008,564 0.138,565 -0.03,566 -0.025,567 -0.037,568 -0.047,569 0.004,570 -0.174,571 -0.015,572 -0.124,573 -0.016,574 -0.091,575 -0.023,576 -0.004,577 -0.081,578 -0.035,579 0.027,580 -0.075,581 -0.089,582 0.014,583 -0.042,584 -0.005,585 -0.107,586 0.002,587 0.051,588 -0.063,589 0.035,590 -0.038,591 0.059,592 -0.008,593 -0.034,594 0.097,595 -0.185,596 -0.037,597 -0.062,598 -0.14,599 -0.082,600 -0.128,601 -0.076,602 -0.108,603 -0.055,604 -0.089,605 2.675,606 5.063,607 0.645,608 31.347,609 1.04,610 1.145,611 0.73,612 0.533,613 0.647,614 3.555,615 3.912,616 4.22,617 4.477,618 4.625,619 4.71,620 4.812,621 4.927,622 4.942,623 4.963,624 7.539,625 0.652,626 429.44,627 3.555,628 5.118,629 5.989,630 6.882,631 7.769,632 8.669,633 9.563,634 10.465,635 11.364,636 12.27,637 14,640 1,643 2,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 50,667 18,668 1,669 34,671 53,672 18,673 11,674 2,675 4,676 1,677 4,678 5,680 1,683 3,686 3,688 13,689 5,691 2,694 2,697 2,698 1,700 19,701 12,702 7,703 13,706 1,707 7,710 1,711 0.75,712 6,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,739 31,740 1,743 3,744 1,745 2,746 1,747 4,754 12,755 2,756 1,757 2,758 1,761 16.5,762 8.317,763 6.75,764 2.557,765 2.851,766 1.367,767 0.905,768 5.928,769 10.627,770 3.807,771 4.404,772 4.981,773 5.544,774 5.966,775 6.212,776 6.526,777 6.83,778 6.793,779 6.915,780 1,781 51,782 11.595,783 5.309,784 8.274,785 20.665,786 17.087,787 2.774,788 86,789 141.253,790 75.601,791 121.174,793 189.34,796 75.601,797 330.593,798 121.174,800 38.127,801 156.169,802 192.91,803 15.847,804 18.375,805 105.94,807 141.253,808 196.776,809 189.34,812 141.253,813 92.973,814 96.367,815 61.123,816 85.296,817 50.357,819 141.253,820 310.514,821 75.601,824 141.253,825 20.459,826 57.041,827 36.022,828 272.594,829 141.253,830 310.514,831 75.601,833 0.593,834 0.36,835 0.191,836 0.095,837 24,838 12,839 0.075,840 4,841 1,842 1.1,843 4.189,844 279.615,845 0.1,846 20,847 153.58,849 21.265,850 8.642,851 4.129,852 0.625,853 308.615,854 8.331,855 12.002,856 -0.19,857 1.406,858 196.969,859 527.369,860 44,863 24.098,866 -1.667,867 51.978,868 57.236,869 0.323,870 0.769,871 0.919,872 0.972,873 0.986,874 0.986,875 5.069,876 1.581,877 5.999,878 4.855,879 4.595,880 5.091,881 2.291,882 6.855,883 4.48,884 6.28,885 1.541,886 7.595,887 4.619,888 4.29,889 4.966,890 1.195,891 7.856,892 4.132,893 7.597,894 1.414,895 9.293,896 3.671,897 6.236,898 7.284,899 2.772,900 10.989,901 6.013,902 8.95,903 1.044,904 11.05,905 3.055,906 6.758,907 8.016,908 2.324,909 12.822,910 6.48,911 10.337,912 1.032,913 12.844,914 2.925,915 8.195,916 9.839,917 3.466,918 15.481,919 7.858,920 11.748,921 0.766,922 14.664,923 2.556,924 9.077,925 10.978,926 3.434,927 17.647,928 8.676,929 13.179,930 0.61,931 16.503,932 1.824,933 10.329,934 12.609,935 4.309,936 20.148,937 9.87,938 3.298,939 -0.035,940 18.355,941 1.424,942 11.368,943 13.942,944 4.52,945 22.455,946 10.841,947 3.004,948 11.609,949 20.219,950 -0.082,951 12.554,952 15.496,953 5.24,954 24.902,955 11.965,956 2.964,957 10.118,958 22.091,959 4.581,960 13.661,961 16.923,962 5.584,963 27.272,964 13.001,965 2.433,966 9.661,967 23.97,968 3.92,969 14.827,970 18.447,971 6.217,972 29.703,973 14.101,974 2.331,975 7.942,976 25.854,977 3.326,978 15.964,979 19.918,980 6.634,981 32.105,982 15.165,983 1.934,984 6.435,985 27.743,986 2.961,987 17.126,988 21.433,989 7.217,990 34.534,991 16.257,992 1.79,993 5.839,994 29.636,995 2.885,996 18.279,997 22.926,998 7.675,999 36.952,1000 17.335,1001 13056,1002 24505,1003 22.194,1004 32.335,1005 52.122,1006 54.167,1007 54.636,1008 51.512,1009 51.483,1010 65.685,1011 7.674,1012 153.071,1013 48.488,1014 5.619,1015 5.699,1016 6.609,1017 5.337,1018 5.298,1019 7.581,1020 2.967,1021 19.318,1022 5.043,1023 17.863,1024 1.533,1025 1.593,1026 1.607,1027 1.515,1028 1.514,1029 1.932,1030 0.226,1031 4.502,1032 1.426,1033 4.106,1034 4.157,1035 4.083,1036 3.907,1037 7.447,1038 3.946,1039 3.931,1040 3.951,1041 3.884,1042 3.843,1043 7.412,1044 3.849,1045 3.809,1046 3.842,1047 3.735,1048 3.616,1049 6.495,1050 3.64,1051 3.56,1052 3.608,1053 3.502,1054 3.271,1055 6.468,1056 3.323,1057 3.337,1058 3.414,1059 3.264,1060 3.086,1061 6.4,1062 3.12,1063 3.209,1064 3.263,1065 3.119,1066 2.958,1067 5.271,1068 2.989,1069 2.994,1070 3.103,1071 2.894,1072 2.746,1073 4.855,1074 2.76,1075 2.96,1076 2.987,1077 2.844,1078 2.726,1079 4.612,1080 2.745,1081 0.137,1082 0.109,1083 0.204,1084 0.124,1085 0.097,1086 4.641,1087 0.135,1088 3.699,1089 0.049,1090 6.924,1091 0.341,1092 4.222,1093 0.09,1094 3.298,1095 4.581,1096 1.671,1097 11.609,1098 3.043,1099 1.893,1100 1.874,1101 1.993,1102 2.008,1103 1.184,1104 1.995,1105 1.797,1106 1.751,1107 1.851,1108 2.001,1109 1.062,1110 1.965,1111 1.633,1112 1.589,1113 1.813,1114 1.866,1115 1.011,1116 1.851,1117 1.532,1118 1.48,1119 1.67,1120 1.803,1121 0.762,1122 1.765,1123 1.33,1124 1.291,1125 1.459,1126 1.639,1127 0.481,1128 1.589,1129 1.142,1130 1.086,1131 1.334,1132 1.436,1133 0.328,1134 1.408,1135 0.95,1136 0.915,1137 1.162,1138 1.257,1139 0.192,1140 1.227,1141 0.883,1142 0.839,1143 1.143,1144 1.219,1145 0.15,1146 1.197,1147 4.234,1149 5.58,1150 3.045,1151 7.112,1152 5.476,1153 8.73,1154 7.627,1155 10.393,1161 5.752,1162 30.409,1163 -0.21,1164 4.45,1165 5.692,1166 -4.697,1170 32.599,1171 91.262,1172 216.909,1173 259.438,1174 274.193,1175 278.193,1176 278.193,1177 81.86,1178 7.776,1179 197.74,1180 197.74,1181 22,1182 12.79,1183 4.248,1184 3.459,1185 49.674,1186 141,1187 129,1188 0.17,1189 199.05,1190 343.8,1191 477.442,1192 27628,1194 22.121,1195 0.714,1196 0.513,1197 22.121,1198 15.913,1199 14.863,1200 0.437,1201 0.27,1202 8.953,1203 13.976,1204 8.906,1205 7.269,1206 14.863,1207 9.183,1208 13.676,1209 0.279,1210 0.139,1211 13.676,1212 6.811,1213 11.947,1214 0.178,1215 0.072,1216 11.947,1217 4.838,1218 9.846,1219 0.113,1220 0.037,1221 9.846,1222 3.257,1223 7.205,1224 0.071,1225 0.02,1226 7.205,1227 1.997,1228 0.271,1229 95.933,1230 0.212,1231 29.385,1232 0.451,1233 166,1234 610.214,1235 194.157,1236 571.723,1237 758.09,1238 530,1239 199,1240 541.007,1241 228.657,1242 537.143,1243 796.05,1244 505,1245 5.903}
{0 CHEMBL437891,1 1.957,2 12.594,3 -1.95,4 3.802,5 109.463,6 9.127,7 0.457,8 4.106,9 4.197,10 3.942,11 3.515,12 5.347,13 3.566,14 4.638,15 4.749,16 4.262,17 3.905,18 6.12,19 3.949,20 4.88,21 5.021,22 4.346,23 4.016,24 6.274,25 4.039,26 4.968,27 5.137,28 4.339,29 3.992,30 6.477,31 4.005,32 4.91,33 5.093,34 4.292,35 3.936,36 6.277,37 3.925,38 4.83,39 4.979,40 4.258,41 3.837,42 6.412,43 3.867,44 4.781,45 4.933,46 4.04,47 3.715,48 6.362,49 3.742,50 4.576,51 4.749,52 3.899,53 3.632,54 6.002,55 3.623,56 0.376,57 0.821,58 10.894,59 4.002,60 58.068,61 4.076,62 1.051,63 1.219,64 17.279,65 6.967,66 113.269,67 7.456,68 1.406,69 1.389,70 27.301,71 9.019,72 160.314,73 9.987,74 1.695,75 1.375,76 31.832,77 9.112,78 218.297,79 10.342,80 1.565,81 1.266,82 34.554,83 9.062,84 175.409,85 10.281,86 1.467,87 1.126,88 35.263,89 8.77,90 212.804,91 9.235,92 1.678,93 1.004,94 28.045,95 7.245,96 220.65,97 7.448,98 1.008,99 0.932,100 22.133,101 6.307,102 148.194,103 7.468,104 50,105 52,106 0.325,107 0.72,108 0.842,109 0.903,110 0.916,111 0.916,112 3.502,113 0.908,114 -2.16,115 -2.2,116 -2.18,119 33.3,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 2,153 2,154 2,157 4,159 7,160 1,162 1,163 5,165 3,166 4,167 2,168 3,169 1,170 1,171 4,172 1,173 3,175 2,176 2,177 6,178 5,180 3,181 5,182 1,183 3,184 1,186 1,187 3,188 4,190 4,192 1,197 1,198 6,200 4,201 8,202 1,211 5,212 4,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 3,237 2,238 5,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 21.723,254 11.847,255 21.427,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 25.099,263 5.543,264 18.118,265 3.716,266 1.336,267 0.603,268 0.235,269 0.157,270 0.157,271 4.188,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 67.6,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 74.5,295 403,296 4.705,297 4.473,298 6.924,299 4.244,300 3.303,301 4.581,302 1.579,303 11.611,304 3.21,305 4.641,306 3.585,307 6.764,308 4.206,309 3.232,310 4.489,311 1.041,312 11.104,313 3.041,314 4.278,315 3.545,316 6.528,317 3.94,318 2.998,319 3.899,320 0.98,321 10.114,322 2.877,323 4.14,324 3.128,325 6.341,326 3.878,327 2.882,328 3.324,330 9.48,331 2.802,332 3.661,333 2.597,334 5.891,335 3.314,336 2.388,337 2.92,339 7.931,340 2.203,341 3.357,342 2.576,343 5.237,344 2.937,345 1.942,346 2.592,347 5.876,348 1.928,349 3.058,350 2.244,351 4.867,352 2.821,353 1.882,354 2.324,355 5.162,356 1.748,357 3.03,358 1.969,359 4.783,360 2.483,361 1.59,362 2.112,363 4.71,364 1.415,365 2.861,366 1.549,367 4.144,368 2.444,369 1.542,370 2.015,371 3.671,372 1.397,373 2.733,374 1.47,375 4.069,376 2.403,377 1.414,378 1.763,379 3.07,380 1.386,381 2.55,382 1.467,383 3.894,384 2.051,385 1.048,386 1.512,387 2.926,388 1.046,389 2.413,390 1.306,391 3.605,392 1.945,393 1.038,394 1.386,395 2.615,396 0.937,397 2.101,398 1.239,399 3.439,400 1.666,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.898,407 3.303,408 1.554,409 0.69,410 0.728,411 1.679,412 0.59,413 1.1,414 0.749,415 2.937,416 0.835,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.467,422 0.452,423 1.082,424 0.034,425 42.25,426 1.32,427 19.5,428 0.609,429 22.75,430 0.711,431 25.938,432 0.811,433 36.533,434 0.716,435 37.854,436 1.183,437 8.44,438 0.264,439 6.736,440 0.211,441 0.171,442 0.058,443 0.373,447 0.898,448 1.555,449 0.764,450 1.342,451 0.913,452 0.887,453 0.805,454 1.014,455 0.804,456 0.942,457 0.667,458 0.915,459 1.005,460 1.237,461 0.984,462 1.16,463 0.928,464 1.084,465 1.082,466 0.946,467 1.027,468 0.979,469 1.019,470 1.028,471 1.114,472 0.925,473 1.131,474 1.034,475 1.134,476 0.948,477 1.21,478 1.048,479 1.398,480 1.375,481 1.227,482 1.021,483 1.503,484 0.76,485 1.289,486 0.866,487 1.602,488 1.019,489 1.146,490 1.119,491 1.096,492 1.155,493 1.224,494 1.131,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 52719,507 2.019,508 37.3,510 9,511 1,512 2,513 7,518 1.743,519 1.837,520 3.593,521 4.248,524 99.793,525 1.957,526 4.336,527 5.069,528 5.437,529 5.516,530 5.516,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 289.294,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.154,558 -0.244,559 0.153,560 -0.123,561 -0.242,562 0.062,563 0.142,564 0.137,565 -0.016,566 0.05,567 0.115,568 -0.012,569 0.003,570 -0.207,571 -0.046,572 -0.132,573 -0.036,574 -0.12,575 -0.003,576 0.018,577 -0.039,578 -0.024,579 0.04,580 -0.085,581 -0.045,582 0.024,583 0.039,584 0.047,585 -0.089,586 0.05,587 -0.017,588 -0.074,589 -0.113,590 -0.174,591 0.054,592 -0.037,593 -0.169,594 0.125,595 -0.262,596 0.067,597 -0.156,598 -0.121,599 -0.134,600 -0.159,601 -0.073,602 -0.131,603 -0.104,604 -0.133,605 5.486,606 5.152,607 0.625,608 32.086,609 1.047,610 1.144,611 0.931,612 0.866,613 0.656,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.657,626 465.5,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 13.7,640 2,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 2,666 51,667 19,668 1,669 35,671 54,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 19,701 13,702 7,703 15,704 1,706 1,707 7,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,740 2,742 1,743 2,744 1,745 1,746 2,747 4,754 13.7,755 2,757 3,758 2,761 17.417,762 8.45,763 6.833,764 2.507,765 2.842,766 1.364,767 0.932,768 6.108,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.476,783 6.137,784 8.352,785 21.306,786 17.814,787 2.852,788 91.25,789 141.253,790 84.08,791 134.455,793 174.37,795 7.511,796 76.569,797 315.623,798 134.455,800 20.997,801 196.577,802 177.941,803 18.604,804 14.099,805 105.94,807 141.253,808 211.024,809 174.37,810 7.511,812 141.253,813 69.458,814 104.912,815 43.993,816 116.674,817 57.868,819 141.253,820 308.825,821 84.08,823 7.511,824 141.253,825 21.427,826 57.041,827 16.405,828 290.521,829 141.253,830 308.825,831 84.08,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.111,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.504,850 8.685,851 4.463,852 0.513,853 306.926,854 8.369,855 11.906,856 0.14,857 1.329,858 167.566,859 534.158,860 46,862 -4.57,863 36.454,866 -0.99,867 53.382,868 58.365,869 0.345,870 0.764,871 0.894,872 0.959,873 0.972,874 0.972,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.31,882 6.969,883 4.551,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.396,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.87,900 11.204,901 6.186,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.81,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.593,918 15.771,919 8.153,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.079,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.417,936 20.478,937 10.275,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.321,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.291,954 25.251,955 12.468,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.561,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.188,972 30.058,973 14.694,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.809,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.095,990 34.886,991 16.94,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.066,1001 13815,1002 26550,1003 22.482,1004 33.438,1005 53.801,1006 56.257,1007 56.379,1008 53.368,1009 53.442,1010 69.277,1011 7.2,1012 163.554,1013 50.533,1014 5.683,1015 6.473,1016 6.609,1017 5.361,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.21,1023 19.512,1024 1.537,1025 1.607,1026 1.611,1027 1.525,1028 1.527,1029 1.979,1030 0.206,1031 4.673,1032 1.444,1033 4.109,1034 4.157,1035 4.709,1036 3.927,1037 7.725,1038 3.948,1039 3.99,1040 3.988,1041 4.08,1042 3.877,1043 7.427,1044 3.87,1045 3.859,1046 3.853,1047 3.861,1048 3.768,1049 6.999,1050 3.69,1051 3.754,1052 3.745,1053 3.711,1054 3.578,1055 6.494,1056 3.571,1057 3.341,1058 3.421,1059 3.267,1060 3.088,1061 6.4,1062 3.12,1063 3.205,1064 3.229,1065 3.171,1066 2.987,1067 5.271,1068 3.009,1069 3.08,1070 3.155,1071 2.969,1072 2.855,1073 5.096,1074 2.859,1075 3.033,1076 3.105,1077 2.881,1078 2.809,1079 4.856,1080 2.811,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 4.473,1089 0.045,1090 6.924,1091 0.332,1092 4.244,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.21,1099 1.909,1100 1.889,1101 2.006,1102 2.017,1103 1.172,1104 2.02,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.078,1110 1.965,1111 1.646,1112 1.677,1113 1.777,1114 1.86,1115 0.997,1116 1.871,1117 1.554,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.441,1124 1.418,1125 1.367,1126 1.684,1127 0.569,1128 1.68,1129 1.128,1130 1.08,1131 1.325,1132 1.427,1133 0.406,1134 1.399,1135 1.033,1136 1.017,1137 1.276,1138 1.32,1139 0.205,1140 1.323,1141 0.974,1142 0.9,1143 1.148,1144 1.254,1145 0.175,1146 1.226,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1161 11.392,1162 20.697,1163 -0.689,1164 1.718,1165 10.351,1166 -5.37,1170 33.501,1171 99.793,1172 221.155,1173 258.539,1174 277.294,1175 281.294,1176 281.294,1177 90.255,1178 7.817,1179 217.8,1180 226.18,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 207.512,1190 356.44,1191 498.09,1192 28622,1194 23.043,1195 0.72,1196 0.534,1197 23.293,1198 17.085,1199 15.176,1200 0.434,1201 0.303,1202 9.057,1203 13.494,1204 8.884,1205 7.253,1206 16.03,1207 10.591,1208 14.665,1209 0.282,1210 0.158,1211 15.974,1212 8.234,1213 12.209,1214 0.177,1215 0.082,1216 13.057,1217 5.691,1218 10.121,1219 0.112,1220 0.044,1221 10.972,1222 3.921,1223 7.362,1224 0.07,1225 0.024,1226 8.11,1227 2.54,1228 0.277,1229 106.854,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 667.375,1235 239.253,1236 642.094,1237 850.85,1238 590,1239 208,1240 582.797,1241 285.434,1242 617.401,1243 912.09,1244 577,1245 6.114}
{0 CHEMBL438072,1 1.947,2 12.516,3 -1.203,4 1.448,5 104.762,6 9.193,7 0.471,8 4.065,9 4.147,10 3.916,11 3.493,12 5.291,13 3.54,14 4.606,15 4.714,16 4.229,17 3.877,18 6.091,19 3.918,20 4.844,21 4.986,22 4.297,23 3.973,24 6.23,25 3.991,26 4.906,27 5.072,28 4.279,29 3.929,30 6.392,31 3.944,32 4.828,33 4.999,34 4.24,35 3.881,36 6.22,37 3.875,38 4.777,39 4.92,40 4.188,41 3.789,42 6.312,43 3.825,44 4.714,45 4.867,46 4.009,47 3.684,48 6.294,49 3.703,50 4.55,51 4.725,52 3.87,53 3.599,54 5.974,55 3.588,56 0.351,57 0.787,58 10.219,59 4.077,60 52.412,61 3.973,62 1.029,63 1.178,64 16.375,65 6.861,66 109.266,67 7.072,68 1.382,69 1.334,70 26.807,71 9.054,72 153.813,73 9.736,74 1.636,75 1.308,76 30.429,77 8.79,78 206.279,79 9.476,80 1.425,81 1.209,82 31.811,83 8.943,84 150.444,85 9.566,86 1.408,87 1.099,88 31.169,89 8.209,90 195.858,91 8.144,92 1.499,93 1,94 25.618,95 7.098,96 192.771,97 7.299,98 0.995,99 0.916,100 22.112,101 6.437,102 142.502,103 7.458,104 37,105 50,106 0.326,107 0.71,108 0.826,109 0.875,110 0.892,111 0.892,112 3.472,113 0.916,114 -2.09,115 -2.13,116 -2.12,119 34.7,125 1,127 3,128 1,134 5,135 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 6,159 7,160 1,162 1,163 5,165 1,166 6,168 3,169 2,170 1,171 4,172 1,173 2,175 3,177 6,178 5,180 2,181 4,183 2,187 3,188 7,190 4,192 1,197 1,198 6,200 1,201 5,202 1,211 5,212 4,215 4,216 2,219 1,224 2,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 4,240 3,246 1623,247 20.413,248 20.413,249 20.413,250 20.413,251 20.413,252 18.055,253 18.561,254 11.69,255 20.911,256 16.717,257 16.717,258 16.717,259 16.717,260 16.717,261 13.111,262 21.654,263 5.502,264 17.617,265 3.667,266 1.368,267 0.676,268 0.383,269 0.286,270 0.286,271 4.16,275 1,276 842,277 4.062,280 163.108,281 209.16,282 136.586,284 1.919,285 63.669,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 72,295 388,296 4.702,297 4.473,298 6.924,299 4.24,300 3.303,301 4.581,302 1.579,303 11.611,304 3.202,305 4.641,306 3.584,307 6.753,308 4.201,309 3.224,310 4.487,311 1.041,312 11.074,313 3.04,314 4.141,315 3.516,316 6.528,317 3.936,318 2.996,319 3.646,320 0.98,321 10.113,322 2.807,323 4.097,324 3.128,325 5.971,326 3.71,327 2.7,328 3.324,330 8.389,331 2.72,332 3.661,333 2.595,334 5.89,335 3.313,336 2.388,337 2.92,339 7.929,340 2.203,341 3.24,342 2.246,343 5.236,344 2.833,345 1.904,346 2.498,347 5.872,348 1.774,349 3.058,350 2.18,351 4.787,352 2.754,353 1.745,354 2.324,355 4.717,356 1.737,357 3.03,358 1.969,359 4.288,360 2.483,361 1.59,362 2.112,363 4.033,364 1.415,365 2.733,366 1.549,367 4.143,368 2.444,369 1.542,370 1.763,371 3.671,372 1.386,373 2.561,374 1.469,375 4.068,376 2.061,377 1.056,378 1.514,379 2.926,380 1.055,381 2.5,382 1.323,383 3.624,384 2,385 1.039,386 1.5,387 2.533,388 1,389 2.413,390 1.239,391 3.355,392 1.945,393 1,394 1.386,395 2.136,396 0.937,397 2.101,398 1,399 3.301,400 1.665,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.898,407 3.247,408 1.552,409 0.688,410 0.727,411 1.671,412 0.588,413 1.1,414 0.748,415 2.9,416 0.823,417 -0.034,418 -0.035,419 -0.079,420 -0.028,421 14.067,422 0.454,423 0.992,424 0.032,425 41,426 1.323,427 19,428 0.613,429 22,430 0.71,431 24.616,432 0.794,433 35.133,434 0.717,435 35.648,436 1.15,437 8.202,438 0.265,439 6.564,440 0.212,441 0.147,442 0.059,443 0.348,447 0.857,448 1.575,449 0.748,450 1.373,451 0.868,452 0.912,453 0.805,454 0.976,455 0.828,456 0.935,457 0.669,458 0.932,459 0.995,460 1.179,461 0.988,462 1.133,463 0.916,464 1.073,465 1.145,466 0.91,467 1.045,468 0.928,469 1.085,470 0.978,471 1.077,472 0.951,473 1.161,474 1.079,475 1.052,476 0.948,477 1.35,478 1.04,479 1.349,480 1.257,481 1.39,482 1.021,483 1.313,484 0.79,485 1.234,486 0.909,487 1.405,488 1.037,489 1.117,490 1.082,491 1.063,492 1.115,493 1.193,494 1.088,495 7,496 0.243,497 4.667,498 3.111,499 2.024,500 1.24,501 0.88,502 0.547,503 0.364,504 0.293,505 13420,506 48604,507 2.038,508 36.7,510 10,511 1,512 2,513 5,518 1.735,519 1.869,520 3.59,521 2.573,524 95.414,525 1.947,526 4.247,527 4.939,528 5.232,529 5.329,530 5.329,531 3.039,532 4.632,533 4.927,534 3.777,535 1756.12,536 8.596,537 25230.4,539 275.121,540 1.663,541 4.859,542 0.206,543 0.009,544 0.093,545 0.062,546 0.044,547 0.029,548 0.021,549 0.016,550 0.012,551 0.01,552 0.502,553 0.17,554 0.88,555 0.618,556 161.969,557 -0.121,558 -0.293,559 0.168,560 -0.164,561 -0.215,562 0.029,563 0.145,564 0.16,565 -0.043,566 0.034,567 0.114,568 -0.048,569 0.02,570 -0.177,571 -0.033,572 -0.119,573 -0.021,574 -0.108,575 -0.041,576 0.044,577 -0.037,578 0.023,579 0.002,580 -0.038,581 -0.013,582 0.018,583 0.02,584 0.018,585 -0.032,586 0.048,587 -0.138,588 -0.08,589 -0.153,590 -0.14,591 -0.083,592 -0.066,593 -0.068,594 0.129,595 -0.214,596 0.028,597 -0.067,598 -0.129,599 -0.105,600 -0.146,601 -0.02,602 -0.101,603 -0.074,604 -0.079,605 5.414,606 5.082,607 0.645,608 31.099,609 1.047,610 1.14,611 0.857,612 0.735,613 0.662,614 3.555,615 3.932,616 4.205,617 4.466,618 4.635,619 4.718,620 4.844,621 4.963,622 4.977,623 4.977,624 7.349,625 0.663,626 450.48,627 3.555,628 5.13,629 5.994,630 6.897,631 7.779,632 8.685,633 9.576,634 10.485,635 11.381,636 12.292,637 12.2,640 1,643 1,644 1,646 3,650 2,651 7,652 3,653 2,654 1,655 16,659 1,666 49,667 19,668 1,669 34,671 52,672 17,673 11,674 1,675 5,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,698 1,700 18,701 12,702 5,703 14,704 1,706 1,707 6,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 31,740 1,742 1,743 2,744 1,745 1,746 2,747 4,754 14.3,755 2,757 3,758 2,761 16.583,762 8.2,763 6.639,764 2.472,765 2.778,766 1.359,767 0.926,768 5.896,769 10.517,770 3.829,771 4.463,772 4.967,773 5.531,774 5.962,775 6.202,776 6.544,777 6.841,778 6.838,779 6.928,780 1,781 50,782 12.065,783 5.9,784 8.325,785 20.739,786 17.327,787 2.825,788 87.583,789 153.024,790 90.8,791 101.558,793 174.37,795 7.511,796 83.288,797 327.394,798 101.558,800 20.997,801 173.156,802 177.941,803 15.847,804 14.099,805 117.711,807 153.024,808 184.846,809 174.37,810 7.511,812 153.024,813 69.458,814 104.912,815 43.993,816 90.497,817 57.868,819 153.024,820 275.928,821 90.8,823 7.511,824 153.024,825 18.67,826 66.518,827 16.405,828 257.624,829 153.024,830 275.928,831 90.8,833 0.598,834 0.351,835 0.184,836 0.095,837 25,838 12,839 0.115,840 6,841 1,842 1.1,843 4.159,844 282.157,845 0.1,846 20,847 147.58,848 1,849 21.578,850 8.47,851 4.38,852 0.534,853 274.029,854 10.192,855 11.914,856 0.243,857 1.34,858 134.669,859 519.752,860 45,862 -4.497,863 36.172,866 -0.881,867 51.28,868 55.867,869 0.347,870 0.756,871 0.88,872 0.932,873 0.949,874 0.949,875 5.1,876 1.59,877 6.033,878 4.717,879 4.615,880 5.15,881 2.31,882 6.913,883 4.512,884 6.342,885 1.542,886 7.646,887 4.033,888 4.443,889 5.247,891 8.091,892 4.327,893 7.696,894 1.056,895 9.366,896 3.671,897 6.323,898 7.455,899 2.87,900 11.136,901 6.135,902 9.09,903 1.039,904 11.145,905 2.926,906 6.948,907 8.372,909 13.082,910 6.74,911 10.519,912 1,913 12.962,914 2.533,915 8.355,916 10.127,917 3.593,918 15.702,919 8.09,920 11.971,921 0.77,922 14.802,923 2.136,924 9.301,925 11.38,927 17.927,928 9.005,929 13.441,930 0.688,931 16.659,932 1.829,933 10.547,934 12.98,935 4.417,936 20.414,937 10.203,938 3.303,939 -0.034,940 18.527,941 1.671,942 11.623,943 14.376,945 22.751,946 11.241,947 3.224,948 11.611,949 20.404,950 -0.079,951 12.814,952 15.918,953 5.291,954 25.195,955 12.388,956 2.996,957 11.074,958 22.288,959 4.581,960 13.944,961 17.377,963 27.58,964 13.477,965 2.7,966 10.113,967 24.176,968 4.487,969 15.118,970 18.899,971 6.188,972 30.011,973 14.61,974 2.388,975 8.389,976 26.07,977 3.646,978 16.271,979 20.385,981 32.418,982 15.723,983 1.904,984 7.929,985 27.966,986 3.324,987 17.441,988 21.9,989 7.095,990 34.846,991 16.853,992 1.745,993 5.872,994 29.866,995 2.92,996 18.605,997 23.4,999 37.265,1000 17.978,1001 12767,1002 24481,1003 22.076,1004 32.432,1005 52.245,1006 54.56,1007 53.88,1008 51.838,1009 51.889,1010 67.553,1011 7.2,1012 157.006,1013 49.099,1014 5.679,1015 6.473,1016 6.726,1017 5.356,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.202,1023 17.579,1024 1.537,1025 1.605,1026 1.585,1027 1.525,1028 1.526,1029 1.987,1030 0.212,1031 4.618,1032 1.444,1033 4.109,1034 4.157,1035 4.709,1036 3.925,1037 7.725,1038 3.948,1039 3.984,1040 3.976,1041 4.08,1042 3.874,1043 7.427,1044 3.861,1045 3.85,1046 3.849,1047 3.835,1048 3.765,1049 6.999,1050 3.688,1051 3.753,1052 3.742,1053 3.711,1054 3.578,1055 6.494,1056 3.57,1057 3.34,1058 3.42,1059 3.267,1060 3.088,1061 6.4,1062 3.12,1063 3.205,1064 3.228,1065 3.171,1066 2.985,1067 5.271,1068 3.007,1069 3.076,1070 3.107,1071 2.969,1072 2.854,1073 4.856,1074 2.856,1075 2.989,1076 3.09,1077 2.878,1078 2.735,1079 4.727,1080 2.716,1081 0.138,1082 0.132,1083 0.204,1084 0.125,1085 0.097,1086 4.702,1087 0.135,1088 4.473,1089 0.046,1090 6.924,1091 0.341,1092 4.24,1093 0.094,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.202,1099 1.906,1100 1.886,1101 2.016,1102 2.008,1103 1.172,1104 2.014,1105 1.797,1106 1.751,1107 1.849,1108 2.004,1109 1.077,1110 1.965,1111 1.646,1112 1.676,1113 1.777,1114 1.858,1115 0.997,1116 1.87,1117 1.554,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.441,1124 1.418,1125 1.367,1126 1.682,1127 0.569,1128 1.68,1129 1.128,1130 1.079,1131 1.321,1132 1.427,1133 0.406,1134 1.399,1135 1.017,1136 1.014,1137 1.181,1138 1.261,1139 0.218,1140 1.233,1141 0.886,1142 0.821,1143 1.148,1144 1.222,1145 0.199,1146 1.208,1147 4.234,1149 5.595,1150 3.045,1151 7.136,1152 5.476,1153 8.756,1154 7.627,1155 10.417,1161 5.734,1162 20.661,1163 -0.657,1164 1.757,1165 10.353,1166 -5.282,1170 32.48,1171 95.414,1172 208.085,1173 242.001,1174 256.366,1175 261.121,1176 261.121,1177 82.493,1178 7.739,1179 191.78,1180 200.16,1181 22,1182 12.81,1183 4.322,1184 3.585,1185 49.593,1186 137,1187 137,1188 0.175,1189 200.718,1190 345.44,1191 481.512,1192 25745,1194 22.173,1195 0.715,1196 0.535,1197 22.423,1198 16.585,1199 14.766,1200 0.434,1201 0.305,1202 8.861,1203 13.119,1204 8.691,1205 7.095,1206 15.619,1207 10.386,1208 14.137,1209 0.283,1210 0.16,1211 15.447,1212 8.013,1213 11.755,1214 0.178,1215 0.084,1216 12.603,1217 5.521,1218 9.65,1219 0.112,1220 0.044,1221 10.508,1222 3.818,1223 7.248,1224 0.071,1225 0.024,1226 7.989,1227 2.493,1228 0.278,1229 104.101,1230 0.213,1231 29.278,1232 0.47,1233 168,1234 650.063,1235 232.226,1236 623.695,1237 826.24,1238 574,1239 200,1240 562.952,1241 276.435,1242 596.802,1243 881.64,1244 558,1245 7.036}
{0 CHEMBL447500,1 1.806,2 16.091,3 1.668,4 2.781,5 153.857,6 8.838,7 0.571,8 4.4,9 4.482,10 4.194,11 3.916,12 5.617,13 3.936,14 4.919,15 5.023,16 4.531,17 4.31,18 6.328,19 4.322,20 5.188,21 5.334,22 4.634,23 4.434,24 6.506,25 4.429,26 5.259,27 5.42,28 4.664,29 4.429,30 6.705,31 4.426,32 5.245,33 5.412,34 4.684,35 4.451,36 6.558,37 4.436,38 5.267,39 5.421,40 4.686,41 4.44,42 6.747,43 4.441,44 5.259,45 5.43,46 4.551,47 4.387,48 6.667,49 4.377,50 5.171,51 5.348,52 4.468,53 4.344,54 6.466,55 4.319,56 0.347,57 1.077,58 13.98,59 6.303,60 51.362,61 6.147,62 1.024,63 1.69,64 21.906,65 10.395,66 105.785,67 10.907,68 1.395,69 2.066,70 36.462,71 14.014,72 154.627,73 15.183,74 1.772,75 2.176,76 40.506,77 13.946,78 225.827,79 15.108,80 1.545,81 2.197,82 42.495,83 14.197,84 165.336,85 15.224,86 1.705,87 2.217,88 45.023,89 14.368,90 234.825,91 15.301,92 1.782,93 2.142,94 41.02,95 13.396,96 217.412,97 14.597,98 1.232,99 2,100 36.813,101 12.892,102 164.096,103 14.706,104 50,105 72,106 0.277,107 0.616,108 0.733,109 0.824,110 0.888,111 0.909,112 3.81,113 0.9,114 -4.58,115 -4.51,116 -4.24,119 41.4,125 1,127 3,128 1,134 13,135 4,136 1,138 1,139 1,141 1,147 1,149 1,150 1,152 1,153 1,154 1,157 17,159 7,160 3,162 1,163 5,165 3,166 20,168 3,169 5,170 1,171 4,172 1,173 3,175 16,177 6,178 12,180 2,181 5,182 1,183 4,185 10,186 1,187 3,188 13,190 4,192 3,194 8,195 2,197 1,198 16,200 1,201 8,202 1,203 3,206 4,208 3,211 5,212 14,215 4,216 2,217 4,219 1,220 1,221 3,224 9,227 2,228 1,229 6,231 1,233 2,234 6,235 10,237 1,238 5,240 8,244 1,246 4300,247 29.413,248 29.413,249 29.413,250 29.413,251 29.413,252 25.653,253 20.718,254 16.96,255 29.921,256 24.144,257 24.144,258 24.144,259 24.144,260 24.144,261 18.45,262 23.461,263 8.013,264 25.104,265 4.323,266 2.113,267 1.345,268 0.755,269 0.337,270 0.2,271 4.516,276 1555,277 4.359,280 229.644,281 568.642,282 189.638,284 2.554,285 79.563,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 99,295 708,296 4.705,297 4.473,298 6.939,299 4.258,300 3.324,301 4.629,302 1.579,303 11.683,304 3.209,305 4.686,306 3.588,307 6.765,308 4.223,309 3.237,310 4.489,311 1.041,312 11.105,313 3.121,314 4.424,315 3.552,316 6.695,317 4.093,318 3.124,319 4.098,320 0.98,321 10.842,322 3.009,323 4.278,324 3.211,325 6.521,326 3.925,327 2.967,328 3.899,330 10.11,331 2.858,332 4.144,333 3.029,334 6.341,335 3.871,336 2.882,337 3.413,339 9.48,340 2.805,341 3.828,342 2.677,343 5.913,344 3.433,345 2.476,346 3.256,347 8.081,348 2.383,349 3.643,350 2.618,351 5.723,352 3.277,353 2.328,354 2.925,355 7.58,356 2.189,357 3.357,358 2.394,359 5.246,360 2.928,361 1.943,362 2.739,363 5.917,364 1.908,365 3.349,366 2.243,367 4.868,368 2.849,369 1.886,370 2.592,371 5.163,372 1.82,373 3.043,374 1.969,375 4.794,376 2.817,377 1.868,378 2.187,379 4.972,380 1.746,381 2.973,382 1.874,383 4.732,384 2.506,385 1.587,386 2.123,387 4.748,388 1.505,389 2.861,390 1.543,391 4.148,392 2.477,393 1.507,394 2.015,395 3.373,396 1.405,397 2.767,398 1.508,399 4.024,400 2.392,401 1.414,402 1.858,403 3.07,404 1.377,405 2.698,406 1.469,407 3.894,408 2.207,409 1.258,410 1.741,411 3.047,412 1.191,413 2.55,414 1.311,415 3.697,416 2.051,417 1.047,418 1.512,419 2.907,420 1.045,421 20.4,422 0.464,423 1.304,424 0.03,425 61.25,426 1.392,427 31.5,428 0.716,429 29.75,430 0.676,431 38.511,432 0.875,433 47.4,434 0.677,435 59.652,436 1.356,437 12.221,438 0.278,439 8.905,440 0.202,441 0.118,442 0.041,443 0.363,447 0.834,448 1.29,449 0.746,450 1.162,451 0.878,452 0.843,453 0.738,454 1.001,455 0.813,456 0.962,457 0.648,458 0.944,459 0.944,460 1.125,461 0.937,462 1.054,463 0.891,464 0.994,465 1.031,466 0.997,467 0.977,468 0.924,469 0.977,470 0.948,471 1.021,472 1.04,473 1.051,474 0.99,475 1.019,476 0.921,477 1.006,478 1.137,479 1.194,480 1.163,481 0.998,482 1.007,483 1.154,484 0.955,485 1.109,486 0.904,487 1.152,488 1.003,489 1.059,490 1.103,491 1.031,492 1.06,493 1.003,494 1.08,495 9,496 0.468,497 6.222,498 4.299,499 2.74,500 1.993,501 1.366,502 0.974,503 0.7,504 0.537,505 35563,506 113961,507 2.089,508 37.1,510 18,511 1,512 1,513 6,518 1.822,519 1.934,520 3.924,521 2.933,524 126.447,525 1.806,526 4.016,527 4.785,528 5.374,529 5.792,530 5.929,531 3.4,532 5.232,533 5.43,534 4.136,535 3912.23,536 9.617,537 72509.3,539 429.05,540 1.585,541 5.377,542 0.184,543 0.009,544 0.086,545 0.057,546 0.037,547 0.027,548 0.018,549 0.014,550 0.011,551 0.009,552 0.45,554 0.63,555 0.546,556 255.921,557 -0.085,558 -0.116,559 0.138,560 -0.057,561 -0.21,562 0.06,563 0.186,564 0.102,565 -0.029,566 -0.002,567 0.111,568 -0.063,569 0.054,570 -0.111,571 0.005,572 -0.06,573 -0.01,574 -0.041,575 0.066,576 0.024,577 -0.002,578 0.028,579 0.083,580 -0.019,581 -0.01,582 0.012,583 0.023,584 0.037,585 -0.069,586 0.033,587 0.072,588 -0.082,589 -0.094,590 -0.119,591 0.104,592 -0.07,593 -0.041,594 0.064,595 -0.153,596 0.011,597 -0.042,598 -0.083,599 -0.108,600 -0.097,601 -0.083,602 -0.107,603 -0.063,604 -0.111,605 5.605,606 5.414,607 0.727,608 59.93,609 1.031,610 1.125,611 3.353,612 11.245,613 0.685,614 3.912,615 4.29,616 4.595,617 4.89,618 5.112,619 5.247,620 5.429,621 5.613,622 5.746,623 5.866,624 9.298,625 0.676,626 618.68,627 3.912,628 5.493,629 6.368,630 7.276,631 8.168,632 9.08,633 9.98,634 10.896,635 11.8,636 12.718,637 8.6,640 1,643 1,644 1,646 3,650 2,651 14,652 3,653 7,654 1,655 28,659 1,663 1,666 70,667 31,668 3,669 49,671 75,672 29,673 23,674 5,675 13,676 1,677 6,678 7,683 3,686 3,688 24,689 5,691 3,693 1,694 3,697 1,700 26,701 13,702 6,703 15,704 1,706 1,707 6,711 0.833,712 8,714 2,715 1,717 1,721 2,722 4,730 2,731 1,732 5,733 1,739 44,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 11.4,755 2,756 1,757 3,758 2,761 22.75,762 11.983,763 9.417,764 3.739,765 5.211,766 1.56,767 0.958,768 8.152,769 14.512,770 4.205,771 4.858,772 5.428,773 6.04,774 6.573,775 6.92,776 7.411,777 7.875,778 8.245,779 8.631,780 0.909,781 76,782 17.068,783 8.284,784 8.134,785 29.97,786 25.312,787 2.634,788 115.917,789 235.422,790 169.876,791 101.558,793 217.053,795 7.511,796 162.364,797 452.475,798 101.558,800 20.997,801 248.966,802 208.853,803 19.113,804 14.099,805 211.88,807 235.422,808 263.922,809 217.053,810 7.511,812 237.75,813 112.141,814 104.912,815 35.375,816 175.863,817 57.868,819 235.422,820 318.611,821 169.876,823 7.511,824 235.422,825 30.555,826 133.709,827 16.405,828 300.307,829 235.422,830 318.611,831 169.876,833 0.595,834 0.354,835 0.193,836 0.102,837 36,838 17,839 0.107,840 8,841 1,842 1.063,843 5.129,844 476.658,845 0.063,846 32,847 234.215,848 1,849 29.808,850 12.033,851 5.96,852 0.432,853 316.712,854 23.809,855 13.394,856 2.136,857 1.365,858 177.352,859 723.909,860 66,862 -4.689,863 37.129,866 -1.124,867 72.142,868 78.737,869 0.295,870 0.655,871 0.781,872 0.877,873 0.945,874 0.967,875 5.472,876 1.943,877 6.395,878 7.58,879 4.977,880 5.547,881 2.31,882 7.277,883 4.897,884 6.715,885 1.886,886 8.005,887 5.917,888 4.745,889 5.551,891 8.409,892 4.638,893 8.061,894 1.868,895 9.719,896 5.163,897 6.671,898 7.841,899 2.87,900 11.492,901 6.521,902 9.447,903 1.587,904 11.495,905 4.972,906 7.252,907 8.67,909 13.407,910 7.071,911 10.867,912 1.507,913 13.307,914 4.748,915 8.684,916 10.474,917 3.593,918 16.042,919 8.467,920 12.311,921 1.414,922 15.144,923 3.373,924 9.603,925 11.664,927 18.249,928 9.351,929 13.773,930 1.258,931 16.998,932 3.07,933 10.859,934 13.284,935 4.417,936 20.739,937 10.573,938 3.324,939 1.047,940 18.864,941 3.047,942 11.92,943 14.64,945 23.064,946 11.598,947 3.237,948 11.683,949 20.738,950 2.907,951 13.114,952 16.188,953 5.291,954 25.504,955 12.758,956 3.124,957 11.105,958 22.619,959 4.629,960 14.234,961 17.621,963 27.88,964 13.842,965 2.967,966 10.842,967 24.506,968 4.489,969 15.407,970 19.141,971 6.188,972 30.306,973 14.981,974 2.882,975 10.11,976 26.396,977 4.098,978 16.554,979 20.612,981 32.706,982 16.091,983 2.476,984 9.48,985 28.29,986 3.899,987 17.723,988 22.123,989 7.095,990 35.129,991 17.225,992 2.328,993 8.081,994 30.187,995 3.413,996 18.882,997 23.614,999 37.542,1000 18.348,1001 33074,1002 59541,1003 32.422,1004 47.932,1005 75.43,1006 77.753,1007 77.64,1008 74.812,1009 74.787,1010 99.335,1011 7.2,1012 226.155,1013 71.708,1014 5.683,1015 6.473,1016 6.741,1017 5.375,1018 5.324,1019 7.629,1020 3.158,1021 19.406,1022 5.209,1023 24.236,1024 1.539,1025 1.587,1026 1.584,1027 1.527,1028 1.526,1029 2.027,1030 0.147,1031 4.615,1032 1.463,1033 4.14,1034 4.183,1035 4.71,1036 4.01,1037 7.725,1038 4.022,1039 3.988,1040 3.998,1041 4.113,1042 3.894,1043 7.428,1044 3.884,1045 3.97,1046 3.975,1047 3.92,1048 3.859,1049 6.999,1050 3.864,1051 3.853,1052 3.851,1053 3.855,1054 3.764,1055 6.495,1056 3.699,1057 3.77,1058 3.777,1059 3.723,1060 3.68,1061 6.468,1062 3.66,1063 3.715,1064 3.728,1065 3.643,1066 3.57,1067 6.4,1068 3.563,1069 3.326,1070 3.401,1071 3.258,1072 3.099,1073 5.264,1074 3.127,1075 3.204,1076 3.227,1077 3.171,1078 2.989,1079 4.868,1080 3.012,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.939,1091 0.238,1092 4.258,1093 0.065,1094 3.324,1095 4.629,1096 1.579,1097 11.683,1098 3.209,1099 2.008,1100 1.987,1101 2.094,1102 2.091,1103 1.212,1104 2.087,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.17,1110 2.006,1111 1.816,1112 1.78,1113 1.916,1114 1.967,1115 1.065,1116 1.949,1117 1.705,1118 1.677,1119 1.811,1120 1.858,1121 1.003,1122 1.869,1123 1.644,1124 1.667,1125 1.761,1126 1.834,1127 0.947,1128 1.837,1129 1.55,1130 1.527,1131 1.643,1132 1.779,1133 0.744,1134 1.761,1135 1.441,1136 1.418,1137 1.365,1138 1.682,1139 0.569,1140 1.679,1141 1.129,1142 1.081,1143 1.318,1144 1.422,1145 0.406,1146 1.395,1147 4.595,1149 5.958,1150 3.045,1151 7.51,1152 5.476,1153 9.145,1154 7.627,1155 10.824,1161 6.255,1162 31.343,1163 -0.752,1164 1.676,1165 10.661,1166 -5.717,1170 47.302,1171 126.447,1172 281.112,1173 334.928,1174 376.179,1175 405.44,1176 415.05,1177 116.273,1178 9.302,1179 212.01,1180 220.39,1181 34,1182 13.231,1183 5,1184 4.17,1185 66.196,1186 245,1187 254,1188 0.129,1189 287.471,1190 499.47,1191 693.189,1192 187418,1194 31.009,1195 0.705,1196 0.536,1197 31.259,1198 23.573,1199 21.126,1200 0.431,1201 0.3,1202 13.157,1203 19.426,1204 12.894,1205 10.566,1206 21.979,1207 14.695,1208 19.976,1209 0.277,1210 0.156,1211 21.285,1212 11.249,1213 16.998,1214 0.173,1215 0.081,1216 17.845,1217 7.948,1218 14.522,1219 0.11,1220 0.043,1221 15.373,1222 5.619,1223 11.342,1224 0.069,1225 0.023,1226 12.091,1227 3.795,1228 0.206,1229 142.748,1230 0.176,1231 38.84,1232 0.345,1233 242,1234 826.213,1235 308.996,1236 802.698,1237 1082.53,1238 742,1239 291,1240 762.687,1241 370.427,1242 802.106,1243 1188.98,1244 754,1245 7.328}
{0 CHEMBL456074,1 1.806,2 17.341,3 1.668,4 2.781,5 153.857,6 8.838,7 0.571,8 4.4,9 4.482,10 4.194,11 3.916,12 5.616,13 3.936,14 4.919,15 5.023,16 4.531,17 4.31,18 6.329,19 4.322,20 5.188,21 5.334,22 4.626,23 4.429,24 6.51,25 4.423,26 5.258,27 5.424,28 4.626,29 4.405,30 6.7,31 4.395,32 5.218,33 5.395,34 4.611,35 4.39,36 6.516,37 4.365,38 5.197,39 5.353,40 4.597,41 4.342,42 6.686,43 4.339,44 5.17,45 5.341,46 4.458,47 4.267,48 6.598,49 4.262,50 5.065,51 5.236,52 4.402,53 4.228,54 6.392,55 4.218,56 0.347,57 1.077,58 13.98,59 6.303,60 51.251,61 6.147,62 1.024,63 1.69,64 21.906,65 10.395,66 106.229,67 10.907,68 1.391,69 2.064,70 36.312,71 14.014,72 153.627,73 15.175,74 1.791,75 2.152,76 41.045,77 13.938,78 225.773,79 15.18,80 1.55,81 2.088,82 43.105,83 14.1,84 166.747,85 15.312,86 1.649,87 2.01,88 43.672,89 13.815,90 231.662,91 14.711,92 1.721,93 1.911,94 38.778,95 12.309,96 213.188,97 13.229,98 1.171,99 1.781,100 33.819,101 11.464,102 158.869,103 12.788,104 50,105 72,106 0.277,107 0.616,108 0.729,109 0.826,110 0.885,111 0.891,112 3.81,113 0.899,114 -4.58,115 -4.51,116 -4.24,119 41.4,125 1,127 3,128 1,134 13,135 4,136 1,138 1,139 1,141 1,147 1,149 1,150 1,152 1,153 1,154 1,157 17,159 7,160 3,162 1,163 5,165 3,166 20,168 3,169 5,170 1,171 4,172 1,173 3,175 16,177 6,178 10,180 2,181 5,182 1,183 4,185 10,186 1,187 3,188 9,190 4,192 3,194 8,195 2,197 1,198 13,200 1,201 8,202 1,203 2,206 4,208 2,211 5,212 13,215 4,216 2,217 2,219 1,220 1,221 1,224 9,227 2,228 1,229 5,231 1,233 1,234 6,235 10,237 1,238 5,240 8,244 2,246 4540,247 29.361,248 29.361,249 29.361,250 29.361,251 29.361,252 25.628,253 20.718,254 16.838,255 29.869,256 24.127,257 24.127,258 24.127,259 24.127,260 24.127,261 18.456,262 23.461,263 7.956,264 25.089,265 4.323,266 2.113,267 1.373,268 0.743,269 0.354,270 0.314,271 4.516,276 1674,277 4.359,280 240.583,281 610.939,282 200.767,284 2.902,285 78.585,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 99,295 763,296 4.705,297 4.473,298 6.935,299 4.252,300 3.318,301 4.623,302 1.579,303 11.664,304 3.209,305 4.676,306 3.588,307 6.764,308 4.218,309 3.235,310 4.489,311 1.041,312 11.105,313 3.068,314 4.283,315 3.552,316 6.555,317 3.997,318 3.053,319 3.929,320 0.98,321 10.243,322 2.903,323 4.277,324 3.179,325 6.341,326 3.878,327 2.887,328 3.899,330 9.481,331 2.857,332 4.16,333 2.893,334 6.183,335 3.865,336 2.876,337 3.575,339 9.169,340 2.816,341 3.99,342 2.706,343 6.067,344 3.628,345 2.657,346 3.291,347 8.786,348 2.58,349 3.649,350 2.676,351 5.872,352 3.296,353 2.362,354 2.926,355 7.88,356 2.194,357 3.395,358 2.528,359 5.246,360 2.928,361 1.943,362 2.811,363 5.917,364 1.908,365 3.357,366 2.244,367 4.868,368 2.899,369 1.911,370 2.592,371 5.163,372 1.888,373 3.045,374 1.969,375 4.794,376 2.82,377 1.881,378 2.244,379 4.944,380 1.747,381 3.001,382 1.912,383 4.627,384 2.49,385 1.588,386 2.115,387 4.749,388 1.46,389 2.861,390 1.543,391 4.326,392 2.471,393 1.522,394 2.015,395 4.05,396 1.404,397 2.741,398 1.525,399 4.143,400 2.392,401 1.414,402 1.781,403 3.07,404 1.377,405 2.617,406 1.469,407 3.894,408 2.12,409 1.156,410 1.665,411 2.993,412 1.113,413 2.55,414 1.311,415 3.686,416 2.051,417 1.047,418 1.512,419 2.69,420 1.045,421 20.4,422 0.464,423 1.321,424 0.03,425 61.25,426 1.392,427 31.5,428 0.716,429 29.75,430 0.676,431 37.906,432 0.861,433 47.4,434 0.677,435 58.698,436 1.334,437 12.205,438 0.277,439 8.904,440 0.202,441 0.118,442 0.041,443 0.363,447 0.834,448 1.29,449 0.746,450 1.162,451 0.878,452 0.843,453 0.738,454 1.001,455 0.813,456 0.962,457 0.647,458 0.944,459 0.945,460 1.145,461 0.954,462 1.078,463 0.89,464 1.023,465 1.04,466 0.982,467 1.014,468 0.942,469 0.987,470 0.985,471 1.025,472 0.988,473 1.074,474 0.997,475 1.041,476 0.936,477 1.019,478 1.114,479 1.216,480 1.198,481 1.043,482 1.019,483 1.218,484 0.911,485 1.122,486 0.888,487 1.236,488 0.973,489 1.147,490 1.095,491 1.016,492 1.022,493 1.082,494 1.006,495 9.5,496 0.452,497 6.444,498 3.924,499 2.66,500 2.104,501 1.392,502 0.803,503 0.679,504 0.562,505 37579,506 119401,507 2.089,508 37.1,510 18,511 1,512 1,513 6,518 1.821,519 1.934,520 4.025,521 2.933,524 126.447,525 1.806,526 4.016,527 4.756,528 5.386,529 5.776,530 5.815,531 3.499,532 5.141,533 5.426,534 4.237,535 4008,536 9.603,537 76095.6,539 429.05,540 1.585,541 5.377,542 0.194,543 0.008,544 0.09,545 0.052,546 0.037,547 0.031,548 0.02,549 0.013,550 0.012,551 0.009,552 0.467,554 0.63,555 0.546,556 258.003,557 -0.085,558 -0.116,559 0.138,560 -0.057,561 -0.21,562 0.06,563 0.186,564 0.102,565 -0.029,566 -0.002,567 0.113,568 -0.063,569 0.053,570 -0.132,571 -0.012,572 -0.085,573 -0.009,574 -0.07,575 0.062,576 0.032,577 -0.026,578 0.009,579 0.076,580 -0.05,581 0.004,582 0.038,583 0.035,584 0.041,585 -0.066,586 0.038,587 0.106,588 -0.088,589 -0.069,590 -0.129,591 0.126,592 -0.063,593 -0.032,594 0.089,595 -0.13,596 0.037,597 -0.04,598 -0.051,599 -0.123,600 -0.093,601 -0.042,602 -0.061,603 -0.066,604 -0.047,605 5.599,606 5.385,607 0.727,608 66.442,609 1.031,610 1.125,611 3.353,612 11.245,613 0.685,614 3.912,615 4.29,616 4.585,617 4.86,618 5.075,619 5.215,620 5.389,621 5.557,622 5.7,623 5.852,624 9.842,625 0.676,626 618.68,627 3.912,628 5.493,629 6.365,630 7.268,631 8.154,632 9.061,633 9.955,634 10.864,635 11.763,636 12.676,637 8.6,640 1,643 1,644 1,646 3,650 2,651 14,652 3,653 7,654 1,655 28,659 1,663 1,666 70,667 31,668 3,669 49,671 75,672 29,673 23,674 5,675 13,676 1,677 6,678 7,683 3,686 3,688 24,689 5,691 3,693 1,694 3,697 1,700 26,701 13,702 6,703 15,704 1,706 1,707 6,711 0.833,712 8,714 2,715 1,717 1,721 2,722 4,730 2,731 1,732 5,733 1,739 44,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 11.4,755 2,756 1,757 3,758 2,761 22.75,762 11.983,763 9.389,764 3.732,765 4.953,766 1.532,767 0.958,768 8.152,769 14.255,770 4.205,771 4.858,772 5.421,773 6.019,774 6.545,775 6.892,776 7.373,777 7.817,778 8.202,779 8.649,780 0.917,781 75,782 17.055,783 8.269,784 8.134,785 29.97,786 25.307,787 2.634,788 115.917,789 235.422,790 169.876,791 101.558,793 217.053,795 7.511,796 162.364,797 452.475,798 101.558,800 20.997,801 248.966,802 208.853,803 19.113,804 14.099,805 211.88,807 235.422,808 263.922,809 217.053,810 7.511,812 237.75,813 112.141,814 104.912,815 35.375,816 175.863,817 57.868,819 235.422,820 318.611,821 169.876,823 7.511,824 235.422,825 30.555,826 133.709,827 16.405,828 300.307,829 235.422,830 318.611,831 169.876,833 0.597,834 0.353,835 0.187,836 0.097,837 36,838 17,839 0.107,840 8,841 1,842 1.063,843 5.235,844 467.104,845 0.063,846 32,847 230.215,848 1,849 29.808,850 12.033,851 6.089,852 0.439,853 316.712,854 24.03,855 13.199,856 2.366,857 1.359,858 177.352,859 723.909,860 66,862 -4.683,863 37.052,866 -1.124,867 72.142,868 78.737,869 0.295,870 0.655,871 0.776,872 0.879,873 0.942,874 0.949,875 5.472,876 1.943,877 6.392,878 7.88,879 4.977,880 5.547,881 2.31,882 7.263,883 4.897,884 6.715,885 1.911,886 7.997,887 5.917,888 4.745,889 5.551,891 8.377,892 4.638,893 8.06,894 1.881,895 9.705,896 5.163,897 6.666,898 7.837,899 2.87,900 11.439,901 6.515,902 9.444,903 1.588,904 11.472,905 4.944,906 7.238,907 8.658,909 13.333,910 7.053,911 10.861,912 1.522,913 13.276,914 4.749,915 8.665,916 10.46,917 3.593,918 15.951,919 8.444,920 12.3,921 1.414,922 15.104,923 4.05,924 9.573,925 11.64,927 18.14,928 9.312,929 13.758,930 1.156,931 16.948,932 3.07,933 10.823,934 13.26,935 4.417,936 20.617,937 10.527,938 3.318,939 1.047,940 18.805,941 2.993,942 11.874,943 14.607,945 22.93,946 11.536,947 3.235,948 11.664,949 20.67,950 2.69,951 13.062,952 16.154,953 5.291,954 25.361,955 12.687,956 3.053,957 11.105,958 22.542,959 4.623,960 14.174,961 17.582,963 27.73,964 13.757,965 2.887,966 10.243,967 24.42,968 4.489,969 15.342,970 19.101,971 6.188,972 30.151,973 14.887,974 2.876,975 9.481,976 26.303,977 3.929,978 16.482,979 20.57,981 32.548,982 15.986,983 2.657,984 9.169,985 28.189,986 3.899,987 17.646,988 22.08,989 7.095,990 34.969,991 17.11,992 2.362,993 8.786,994 30.079,995 3.575,996 18.802,997 23.57,999 37.382,1000 18.224,1001 34833,1002 62452,1003 32.422,1004 47.932,1005 75.449,1006 77.766,1007 77.451,1008 74.825,1009 74.8,1010 99.345,1011 7.2,1012 225.694,1013 71.721,1014 5.683,1015 6.473,1016 6.737,1017 5.368,1018 5.318,1019 7.623,1020 3.158,1021 19.382,1022 5.209,1023 24.366,1024 1.54,1025 1.587,1026 1.581,1027 1.527,1028 1.527,1029 2.027,1030 0.147,1031 4.606,1032 1.464,1033 4.137,1034 4.18,1035 4.71,1036 4.002,1037 7.725,1038 4.013,1039 3.988,1040 4.002,1041 4.109,1042 3.895,1043 7.428,1044 3.893,1045 3.973,1046 3.975,1047 3.921,1048 3.869,1049 6.999,1050 3.865,1051 3.855,1052 3.855,1053 3.855,1054 3.764,1055 6.495,1056 3.706,1057 3.778,1058 3.78,1059 3.734,1060 3.684,1061 6.468,1062 3.66,1063 3.709,1064 3.723,1065 3.643,1066 3.566,1067 6.4,1068 3.561,1069 3.322,1070 3.397,1071 3.256,1072 3.104,1073 5.264,1074 3.131,1075 3.204,1076 3.227,1077 3.171,1078 2.992,1079 4.868,1080 3.014,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.252,1093 0.065,1094 3.318,1095 4.623,1096 1.579,1097 11.664,1098 3.209,1099 2.002,1100 1.98,1101 2.094,1102 2.085,1103 1.202,1104 2.083,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.171,1110 2.006,1111 1.837,1112 1.802,1113 1.924,1114 1.983,1115 1.065,1116 1.965,1117 1.692,1118 1.677,1119 1.805,1120 1.859,1121 1.013,1122 1.869,1123 1.643,1124 1.654,1125 1.754,1126 1.833,1127 0.952,1128 1.828,1129 1.548,1130 1.526,1131 1.641,1132 1.767,1133 0.741,1134 1.753,1135 1.441,1136 1.418,1137 1.365,1138 1.682,1139 0.569,1140 1.679,1141 1.13,1142 1.083,1143 1.318,1144 1.421,1145 0.407,1146 1.394,1147 4.595,1149 5.958,1150 3.045,1151 7.507,1152 5.476,1153 9.135,1154 7.627,1155 10.805,1161 6.187,1162 31.235,1163 -0.749,1164 1.672,1165 10.619,1166 -5.687,1170 47.302,1171 126.447,1172 281.112,1173 332.928,1174 377.034,1175 404.295,1176 407.05,1177 115.199,1178 9.302,1179 212.01,1180 220.39,1181 34,1182 13.192,1183 5,1184 4.17,1185 66.307,1186 257,1187 275,1188 0.122,1189 287.471,1190 499.47,1191 693.189,1192 187418,1194 31.009,1195 0.705,1196 0.536,1197 31.259,1198 23.573,1199 21.109,1200 0.431,1201 0.3,1202 13.151,1203 19.41,1204 12.886,1205 10.558,1206 21.963,1207 14.689,1208 20.038,1209 0.278,1210 0.157,1211 21.348,1212 11.281,1213 17.062,1214 0.176,1215 0.082,1216 17.909,1217 7.946,1218 14.33,1219 0.112,1220 0.043,1221 15.18,1222 5.522,1223 11.072,1224 0.07,1225 0.023,1226 11.821,1227 3.711,1228 0.197,1229 142.647,1230 0.176,1231 39.223,1232 0.321,1233 242,1234 826.213,1235 308.996,1236 802.876,1237 1081.97,1238 742,1239 290,1240 761.687,1241 369.427,1242 801.371,1243 1185.97,1244 753,1245 9.004}
{0 CHEMBL458606,1 1.92,2 12.594,3 -0.835,4 0.697,5 108.366,6 9.127,7 0.457,8 4.101,9 4.175,10 3.933,11 3.545,12 5.344,13 3.583,14 4.641,15 4.743,16 4.255,17 3.932,18 6.08,19 3.971,20 4.911,21 5.043,22 4.351,23 4.031,24 6.33,25 4.058,26 4.96,27 5.111,28 4.337,29 4.012,30 6.494,31 4.021,32 4.918,33 5.091,34 4.291,35 3.97,36 6.27,37 3.949,38 4.859,39 5.004,40 4.26,41 3.87,42 6.464,43 3.893,44 4.785,45 4.937,46 4.035,47 3.748,48 6.336,49 3.761,50 4.617,51 4.791,52 3.899,53 3.659,54 6.03,55 3.644,56 0.383,57 0.792,58 10.463,59 4.693,60 62.475,61 4.362,62 0.993,63 1.215,64 18.229,65 7.712,66 123.333,67 7.665,68 1.552,69 1.393,70 28.798,71 9.75,72 186.494,73 10.03,74 1.745,75 1.387,76 31.249,77 9.94,78 238.893,79 10.592,80 1.563,81 1.308,82 34.976,83 10.29,84 189.539,85 11.115,86 1.628,87 1.185,88 35.481,89 9.544,90 244.213,91 9.942,92 1.613,93 1.065,94 28.05,95 7.94,96 223.622,97 8.218,98 1.109,99 0.969,100 24.075,101 7.024,102 165.962,103 8.022,104 50,105 52,106 0.319,107 0.721,108 0.855,109 0.903,110 0.916,111 0.916,112 3.502,113 0.933,114 -1.89,115 -1.94,116 -1.95,119 35.3,125 2,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,146 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,160 1,162 1,163 1,165 2,166 4,168 3,169 1,170 1,171 4,172 1,173 2,175 2,177 6,178 5,180 2,181 5,183 1,187 3,188 4,190 3,197 1,198 6,200 1,201 8,211 5,212 4,215 3,216 1,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 3,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 19.173,254 11.847,255 21.526,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 20.533,263 5.543,264 18.307,265 3.753,266 1.329,267 0.525,268 0.235,269 0.157,270 0.157,271 4.188,275 1,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 72.184,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 74.5,295 403,296 4.705,297 5.149,298 6.924,299 4.227,300 3.303,301 4.581,302 3.592,303 11.611,304 3.05,305 4.641,306 3.613,307 6.764,308 4.167,309 3.232,310 4.489,311 1.336,312 11.104,313 3.025,314 4.278,315 3.577,316 6.528,317 3.94,318 2.998,319 3.899,320 1.041,321 10.114,322 2.831,323 4.14,324 3.131,325 6.341,326 3.865,327 2.882,328 3.324,330 9.48,331 2.781,332 3.661,333 2.72,334 5.891,335 3.313,336 2.388,337 2.92,339 7.931,340 2.202,341 3.357,342 2.612,343 5.237,344 2.943,345 1.942,346 2.592,347 5.876,348 1.94,349 3.058,350 2.41,351 4.867,352 2.82,353 1.882,354 2.324,355 5.162,356 1.746,357 3.03,358 2.136,359 4.783,360 2.483,361 1.59,362 2.112,363 4.71,364 1.415,365 2.861,366 1.968,367 4.144,368 2.444,369 1.542,370 2.015,371 3.671,372 1.386,373 2.733,374 1.549,375 4.069,376 2.392,377 1.414,378 1.763,379 3.07,380 1.377,381 2.55,382 1.543,383 3.894,384 2.06,385 1.048,386 1.512,387 2.926,388 1.055,389 2.413,390 1.311,391 3.605,392 1.945,393 1.038,394 1.386,395 2.615,396 0.937,397 2.101,398 1.247,399 3.439,400 1.665,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 1.057,407 3.303,408 1.546,409 0.69,410 0.728,411 1.679,412 0.584,413 1.1,414 0.87,415 2.937,416 0.822,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.5,422 0.453,423 1.082,424 0.034,425 42,426 1.313,427 19.5,428 0.609,429 22.5,430 0.703,431 26.405,432 0.825,433 36.5,434 0.716,435 37.387,436 1.168,437 8.33,438 0.26,439 6.847,440 0.214,441 0.166,442 0.057,443 0.372,447 0.878,448 1.467,449 0.77,450 1.298,451 0.891,452 0.902,453 0.885,454 1.063,455 0.908,456 1.061,457 0.711,458 0.947,459 1.111,460 1.108,461 1.029,462 1.08,463 1.056,464 1.042,465 1.058,466 0.934,467 1.03,468 0.99,469 1.008,470 1.044,471 1.046,472 0.947,473 1.103,474 1.078,475 1.071,476 0.988,477 1.098,478 1.017,479 1.291,480 1.272,481 1.094,482 1.007,483 1.329,484 0.872,485 1.229,486 0.934,487 1.397,488 1.057,489 1.142,490 1.01,491 1.083,492 1.057,493 1.205,494 1.063,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 53471,507 2.019,508 37.3,510 11,511 1,512 2,513 5,518 1.743,519 1.837,520 3.593,521 2.531,524 97.915,525 1.92,526 4.344,527 5.148,528 5.437,529 5.516,530 5.516,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 289.294,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.134,558 -0.196,559 0.14,560 -0.076,561 -0.208,562 0.053,563 0.02,564 0.085,565 -0.07,566 -0.024,567 0.052,568 -0.029,569 -0.06,570 -0.103,571 -0.083,572 -0.077,573 -0.091,574 -0.097,575 0.014,576 0.038,577 -0.047,578 -0.023,579 0.05,580 -0.097,581 -0.024,582 0.01,583 0.057,584 0.01,585 -0.078,586 0.03,587 0.055,588 -0.06,589 -0.06,590 -0.128,591 0.113,592 -0.018,593 -0.12,594 0.041,595 -0.211,596 0.006,597 -0.109,598 -0.131,599 -0.135,600 -0.071,601 -0.046,602 -0.055,603 -0.112,604 -0.06,605 5.292,606 5.223,607 0.625,608 32.086,609 1.047,610 1.137,611 0.656,612 0.43,613 0.66,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.661,626 465.49,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 9.8,640 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,656 1,659 1,663 1,666 51,667 19,668 1,669 35,671 54,672 18,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 6,691 3,693 1,694 3,697 1,698 1,700 19,701 12,702 5,703 14,704 1,706 1,707 5,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,740 1,742 1,743 3,744 2,746 2,747 4,754 15.7,755 2,756 1,757 3,758 2,761 17.417,762 8.567,763 6.833,764 2.578,765 2.842,766 1.364,767 0.906,768 6.134,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.46,783 6.172,784 8.383,785 21.399,786 18.078,787 2.883,788 92.25,789 164.795,790 82.891,791 85.153,793 217.053,795 7.75,796 75.141,797 381.849,798 85.153,800 5.492,801 163.919,802 221.053,803 15.847,804 14.099,805 129.482,807 164.795,808 160.294,809 217.053,810 7.75,812 164.795,813 112.141,814 104.912,815 28.488,816 81.449,817 58.106,819 164.795,820 302.206,821 82.891,823 7.75,824 164.795,825 19.998,826 57.041,828 300.307,829 164.795,830 302.206,831 82.891,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.13,840 7,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.541,850 8.708,851 4.478,852 0.513,853 300.307,854 7.987,855 11.905,856 -0.41,857 1.331,858 160.947,859 549.892,860 46,862 -4.375,863 36.626,866 -0.865,867 53.389,868 57.993,869 0.338,870 0.766,871 0.908,872 0.959,873 0.972,874 0.972,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 3.483,882 6.969,883 4.527,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.328,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 5.837,900 11.204,901 6.121,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.694,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 8.369,918 15.771,919 8.03,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 8.91,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 10.923,936 20.478,937 10.089,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.092,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 13.48,954 25.251,955 12.214,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.268,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 16.037,972 30.058,973 14.371,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.447,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 18.595,990 34.886,991 16.543,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 17.629,1001 13815,1002 26710,1003 22.482,1004 33.642,1005 53.801,1006 57.262,1007 56.379,1008 53.459,1009 53.442,1010 69.277,1011 11.938,1012 163.554,1013 50.029,1014 5.683,1015 7.149,1016 6.609,1017 5.347,1018 5.303,1019 7.581,1020 7.184,1021 19.32,1022 5.05,1023 19.512,1024 1.537,1025 1.636,1026 1.611,1027 1.527,1028 1.527,1029 1.979,1030 0.341,1031 4.673,1032 1.429,1033 4.111,1034 4.158,1035 4.717,1036 3.974,1037 7.721,1038 3.953,1039 4.009,1040 3.988,1041 4.08,1042 3.892,1043 7.426,1044 3.89,1045 3.857,1046 3.851,1047 3.857,1048 3.785,1049 6.999,1050 3.721,1051 3.761,1052 3.756,1053 3.711,1054 3.586,1055 6.495,1056 3.595,1057 3.344,1058 3.423,1059 3.267,1060 3.098,1061 6.468,1062 3.128,1063 3.225,1064 3.242,1065 3.19,1066 3.015,1067 6.4,1068 3.029,1069 3.077,1070 3.107,1071 2.969,1072 2.854,1073 5.271,1074 2.858,1075 2.989,1076 3.091,1077 2.878,1078 2.746,1079 4.856,1080 2.75,1081 0.134,1082 0.147,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 5.149,1089 0.103,1090 6.924,1091 0.332,1092 4.227,1093 0.087,1094 3.303,1095 4.581,1096 3.592,1097 11.611,1098 3.05,1099 1.915,1100 1.911,1101 2,1102 2.012,1103 1.184,1104 2.024,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.132,1110 1.965,1111 1.696,1112 1.735,1113 1.779,1114 1.865,1115 1.003,1116 1.887,1117 1.577,1118 1.544,1119 1.654,1120 1.806,1121 0.93,1122 1.781,1123 1.475,1124 1.435,1125 1.566,1126 1.702,1127 0.749,1128 1.702,1129 1.138,1130 1.098,1131 1.345,1132 1.433,1133 0.427,1134 1.407,1135 1.02,1136 1.018,1137 1.148,1138 1.268,1139 0.206,1140 1.244,1141 0.883,1142 0.839,1143 1.146,1144 1.222,1145 0.154,1146 1.209,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1161 5.735,1162 30.397,1163 -1.684,1165 10.429,1166 -5.339,1170 33.7,1171 97.915,1172 221.519,1173 262.539,1174 277.294,1175 281.294,1176 281.294,1177 94.182,1178 7.817,1179 199.98,1180 208.36,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 207.512,1190 360.53,1191 498.09,1192 28622,1194 23.043,1195 0.72,1196 0.536,1197 23.293,1198 17.162,1199 15.176,1200 0.434,1201 0.311,1202 9.206,1203 13.506,1204 8.998,1205 7.312,1206 16.03,1207 10.883,1208 14.665,1209 0.282,1210 0.167,1211 15.974,1212 8.696,1213 12.209,1214 0.177,1215 0.087,1216 13.057,1217 6.034,1218 10.121,1219 0.112,1220 0.047,1221 10.972,1222 4.214,1223 7.362,1224 0.07,1225 0.026,1226 8.11,1227 2.769,1228 0.277,1229 106.762,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 675.88,1235 237.5,1236 646.013,1237 849.13,1238 594,1239 208,1240 573.947,1241 283.039,1242 603.87,1243 890.23,1244 565,1245 5.481}
{0 CHEMBL459678,1 1.858,2 14.5,3 0.276,4 0.076,5 125.694,6 8.429,7 0.41,8 4.269,9 4.361,10 4.033,11 3.688,12 5.441,13 3.715,14 4.827,15 4.964,16 4.351,17 4.077,18 6.205,19 4.094,20 5.086,21 5.252,22 4.438,23 4.194,24 6.382,25 4.187,26 5.183,27 5.388,28 4.448,29 4.168,30 6.588,31 4.16,32 5.061,33 5.242,34 4.445,35 4.143,36 6.375,37 4.127,38 5.056,39 5.215,40 4.428,41 4.105,42 6.582,43 4.118,44 5.022,45 5.195,46 4.232,47 4.029,48 6.463,49 4.018,50 4.913,51 5.115,52 4.084,53 3.939,54 6.169,55 3.904,56 0.356,57 0.948,58 14.648,59 5.299,60 47.17,61 6.13,62 1.11,63 1.437,64 24.93,65 8.9,66 115.39,67 10.77,68 1.455,69 1.666,70 37.506,71 11.526,72 151.876,73 14.421,74 1.955,75 1.673,76 45.492,77 11.205,78 235.464,79 14.747,80 1.526,81 1.577,82 40.567,83 10.818,84 158.872,85 13.222,86 1.686,87 1.538,88 41.538,89 10.116,90 222.407,91 12.186,92 1.68,93 1.435,94 35.821,95 9.357,96 194.197,97 11.623,98 1.218,99 1.303,100 33.497,101 8.642,102 141.56,103 11.514,104 68,105 57,106 0.297,107 0.684,108 0.844,109 0.882,110 0.892,111 0.892,112 3.615,113 0.954,114 -3.08,115 -3.08,116 -2.96,119 33.9,120 2,122 1,125 2,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 6,159 7,160 1,163 5,165 4,166 5,168 3,169 1,171 4,172 1,173 5,175 2,177 6,178 6,181 5,182 1,183 3,187 3,188 7,190 4,192 1,197 1,198 10,201 8,202 1,211 5,212 8,215 4,216 2,224 2,227 2,228 1,229 1,234 6,235 5,238 5,240 3,246 2494,247 23.482,248 23.482,249 23.482,250 23.482,251 23.482,252 21.124,253 25.461,254 13.482,255 24.043,256 19.178,257 19.178,258 19.178,259 19.178,260 19.178,261 15.506,262 33.461,263 6.347,264 20.201,265 4.096,266 1.684,267 0.682,268 0.444,269 0.379,270 0.379,271 4.301,276 1109,277 4.69,280 191.033,281 247.095,282 162.793,284 2.361,285 72.451,286 0.5,287 0.67,288 0.5,289 0.8,290 0.5,291 0.5,292 0.5,293 0.57,294 83,295 522,296 4.705,297 4.473,298 6.931,299 4.246,300 3.307,301 4.587,302 1.579,303 11.648,304 3.209,305 4.648,306 3.586,307 6.764,308 4.209,309 3.233,310 4.489,311 1.041,312 11.104,313 3.046,314 4.278,315 3.552,316 6.549,317 3.953,318 3.013,319 3.899,320 0.98,321 10.221,322 2.859,323 4.148,324 3.152,325 6.341,326 3.872,327 2.882,328 3.346,329 0.4,330 9.48,331 2.813,332 3.707,333 2.679,334 5.944,335 3.389,336 2.46,337 2.945,339 8.181,340 2.286,341 3.357,342 2.664,343 5.309,344 3.159,345 2.18,346 2.592,347 6.169,348 2.127,349 3.21,350 2.301,351 4.877,352 2.929,353 1.945,354 2.326,355 5.196,356 1.909,357 3.054,358 2.214,359 4.838,360 2.836,361 1.89,362 2.229,363 5.133,364 1.766,365 3.028,366 1.977,367 4.63,368 2.507,369 1.613,370 2.09,371 4.77,372 1.435,373 2.861,374 1.549,375 4.229,376 2.447,377 1.544,378 2.015,379 3.708,380 1.392,381 2.74,382 1.543,383 4.073,384 2.392,385 1.414,386 1.767,387 3.07,388 1.377,389 2.55,390 1.469,391 3.894,392 2.051,393 1.05,394 1.512,395 3.012,396 1.046,397 2.421,398 1.311,399 3.605,400 1.948,401 1.041,402 1.395,403 2.615,404 0.939,405 2.163,406 1.294,407 3.439,408 1.812,409 0.907,410 1.1,411 2.118,412 0.819,413 1.774,414 1.003,415 3.37,416 1.565,417 0.7,418 0.731,419 1.688,420 0.599,421 16.4,422 0.456,423 1.188,424 0.033,425 44.5,426 1.236,427 19.5,428 0.542,429 25,430 0.694,431 33.863,432 0.941,433 41.8,434 0.674,435 40.963,436 1.138,437 8.591,438 0.239,439 8.479,440 0.236,441 0.183,442 0.051,443 0.36,447 0.849,448 1.637,449 0.778,450 1.407,451 0.851,452 1.004,453 0.764,454 1.033,455 0.803,456 0.966,457 0.633,458 0.937,459 0.931,460 1.268,461 0.935,462 1.167,463 0.871,464 1.081,465 1.014,466 0.834,467 0.904,468 0.794,469 0.934,470 0.815,471 1.048,472 1.059,473 1.049,474 1.053,475 1.069,476 0.932,477 1.118,478 1.107,479 1.283,480 1.223,481 1.089,482 1.018,483 1.227,484 0.964,485 1.198,486 0.982,487 1.276,488 1.102,489 1.136,490 1.011,491 1.079,492 1.026,493 1.053,494 1.057,495 8.5,496 0.369,497 5.333,498 3.549,499 2.256,500 1.688,501 1.084,502 0.715,503 0.494,504 0.398,505 19865,506 65481,507 2.001,508 41.9,509 6,510 11,511 1,512 2,513 5,515 1,518 1.773,519 1.823,520 3.775,521 2.41,524 115.2,525 1.858,526 4.271,527 5.273,528 5.51,529 5.575,530 5.575,531 3.28,532 4.816,533 5.139,534 3.99,535 2513.95,536 9.027,537 40827,539 369.16,540 1.68,541 5.067,542 0.218,543 0.009,544 0.094,545 0.061,546 0.04,547 0.031,548 0.02,549 0.016,550 0.013,551 0.01,552 0.512,553 0.17,554 0.75,555 1.057,556 198.19,557 -0.092,558 -0.31,559 0.162,560 -0.153,561 -0.182,562 0.01,563 0.164,564 0.129,565 0.035,566 0.037,567 0.135,568 0.011,569 0.054,570 -0.236,571 0.018,572 -0.148,573 0.002,574 -0.099,575 0.063,576 0.121,577 0.11,578 0.124,579 0.104,580 0.125,581 -0.008,582 -0.022,583 0.063,584 0.018,585 -0.061,586 0.036,587 0.028,588 -0.04,589 -0.129,590 -0.132,591 0.109,592 -0.086,593 -0.071,594 0.045,595 -0.232,596 -0.063,597 -0.068,598 -0.2,599 -0.148,600 -0.023,601 -0.093,602 -0.069,603 -0.079,604 -0.092,605 5.547,606 5.228,607 0.556,608 44.546,609 1.035,610 1.141,611 1.851,612 3.427,613 0.644,614 3.689,615 4.06,616 4.317,617 4.585,618 4.762,619 4.883,620 5.011,621 5.153,622 5.22,623 5.278,624 8.396,625 0.634,626 522.6,627 3.689,628 5.263,629 6.12,630 7.022,631 7.901,632 8.807,633 9.696,634 10.606,635 11.502,636 12.414,637 9.7,641 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,660 1,663 1,666 62,667 19,668 1,669 39,671 65,672 21,673 11,674 2,675 4,676 1,677 4,678 5,681 2,683 3,686 3,688 12,689 9,690 1,691 3,693 1,694 3,697 1,700 26,701 13,702 5,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,735 2,739 36,742 1,743 3,744 2,745 2,746 2,747 5,754 12.9,755 2,756 1,757 3,758 2,761 19.75,762 11.067,763 7.75,764 3.411,765 2.939,766 1.36,767 0.897,768 7.869,769 11.096,770 3.932,771 4.551,772 5.047,773 5.618,774 6.055,775 6.341,776 6.69,777 7.02,778 7.09,779 7.258,780 0.9,781 58,782 14.059,783 6.792,784 8.238,785 24.444,786 20.294,787 2.738,788 98.583,789 247.193,790 101.08,791 86.671,793 217.053,795 7.511,796 93.568,797 464.246,798 86.671,799 17.65,800 23.103,801 130.783,802 238.635,803 15.847,804 14.099,805 211.88,807 247.193,808 180.24,809 217.053,810 7.511,812 235.422,813 123.912,814 104.912,815 63.749,816 48.123,817 75.879,819 247.193,820 303.725,821 101.08,823 7.511,824 247.193,825 20.776,826 74.692,827 34.416,828 267.41,829 247.193,830 303.725,831 101.08,833 0.596,834 0.34,835 0.178,836 0.094,837 27,838 14,839 0.138,840 9,841 1,842 1.1,843 4.514,844 342.926,845 0.1,846 20,847 182.117,848 1,849 26.377,850 10.74,851 5.844,852 0.759,853 301.826,854 8.055,855 12.668,856 -0.19,857 1.403,858 162.466,859 651.997,860 50,862 -4.631,863 36.614,866 -1.106,867 64.142,868 70.737,869 0.312,870 0.717,871 0.886,872 0.925,873 0.936,874 0.936,875 5.209,876 1.89,877 6.159,878 5.196,879 4.745,880 5.239,881 2.341,882 7.033,883 4.642,884 6.446,885 1.613,886 7.769,887 5.133,888 4.575,889 5.345,891 8.196,892 4.46,893 7.795,894 1.544,895 9.483,896 4.77,897 6.441,898 7.525,899 2.873,900 11.244,901 6.252,902 9.184,903 1.414,904 11.258,905 3.708,906 7.057,907 8.449,909 13.181,910 6.85,911 10.608,912 1.05,913 13.071,914 3.07,915 8.459,916 10.191,917 3.593,918 15.802,919 8.193,920 12.057,921 1.041,922 14.908,923 3.012,924 9.397,925 11.449,927 18.023,928 9.102,929 13.524,930 0.907,931 16.762,932 2.615,933 10.641,934 13.041,935 4.417,936 20.51,937 10.297,938 3.307,939 0.7,940 18.629,941 2.118,942 11.712,943 14.439,945 22.843,946 11.333,947 3.233,948 11.648,949 20.504,950 1.688,951 12.901,952 15.976,953 5.291,954 25.285,955 12.479,956 3.013,957 11.104,958 22.387,959 4.587,960 14.027,961 17.433,963 27.667,964 13.567,965 2.882,966 10.221,967 24.275,968 4.489,969 15.199,970 18.951,971 6.188,972 30.095,973 14.699,974 2.46,975 9.48,976 26.168,977 3.899,978 16.349,979 20.435,981 32.5,982 15.811,983 2.18,984 8.181,985 28.064,986 3.346,987 17.518,988 21.946,989 7.095,990 34.926,991 16.941,992 1.945,993 6.169,994 29.963,995 2.945,996 18.68,997 23.444,999 37.344,1000 18.066,1001 19210,1002 35220,1003 24.967,1004 39.932,1005 59.513,1006 62.074,1007 62.009,1008 59.121,1009 59.217,1010 75.045,1011 8,1012 178.203,1013 56.023,1014 5.683,1015 6.473,1016 6.616,1017 5.362,1018 5.307,1019 7.587,1020 3.158,1021 19.372,1022 5.209,1023 23.071,1024 1.526,1025 1.592,1026 1.59,1027 1.516,1028 1.518,1029 1.924,1030 0.205,1031 4.569,1032 1.436,1033 4.115,1034 4.163,1035 4.71,1036 3.93,1037 7.725,1038 3.955,1039 3.987,1040 3.976,1041 4.085,1042 3.875,1043 7.428,1044 3.863,1045 3.856,1046 3.854,1047 3.856,1048 3.764,1049 6.999,1050 3.69,1051 3.763,1052 3.78,1053 3.717,1054 3.593,1055 6.495,1056 3.582,1057 3.688,1058 3.728,1059 3.535,1060 3.539,1061 6.468,1062 3.525,1063 3.329,1064 3.407,1065 3.246,1066 3.088,1067 6.4,1068 3.116,1069 3.205,1070 3.229,1071 3.17,1072 2.986,1073 5.155,1074 3.008,1075 3.077,1076 3.164,1077 2.969,1078 2.855,1079 4.624,1080 2.857,1081 0.121,1082 0.115,1083 0.178,1084 0.109,1085 0.085,1086 4.705,1087 0.118,1088 4.473,1089 0.04,1090 6.931,1091 0.299,1092 4.246,1093 0.082,1094 3.307,1095 4.587,1096 1.579,1097 11.648,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.026,1103 1.235,1104 2.006,1105 1.822,1106 1.772,1107 1.987,1108 2.005,1109 1.171,1110 1.998,1111 1.688,1112 1.676,1113 1.835,1114 1.886,1115 1.065,1116 1.893,1117 1.643,1118 1.624,1119 1.773,1120 1.857,1121 0.999,1122 1.868,1123 1.546,1124 1.523,1125 1.647,1126 1.777,1127 0.787,1128 1.761,1129 1.439,1130 1.415,1131 1.417,1132 1.681,1133 0.577,1134 1.677,1135 1.13,1136 1.08,1137 1.383,1138 1.427,1139 0.502,1140 1.403,1141 1.019,1142 1.015,1143 1.347,1144 1.32,1145 0.469,1146 1.333,1147 4.369,1149 5.727,1150 3.045,1151 7.261,1152 5.476,1153 8.876,1154 7.627,1155 10.536,1157 4.07,1162 30.729,1163 -0.06,1164 4.836,1165 10.473,1166 -5.037,1170 39.302,1171 115.2,1172 264.782,1173 326.896,1174 341.65,1175 345.65,1176 345.65,1177 111.696,1178 8.157,1179 198.02,1180 206.4,1181 22,1182 12.931,1183 4.322,1184 3.585,1185 62.336,1186 182,1187 178,1188 0.166,1189 243.083,1190 423.43,1191 584.884,1192 44504,1194 26.035,1195 0.723,1196 0.56,1197 26.285,1198 20.162,1199 17.07,1200 0.438,1201 0.318,1202 10.854,1203 15.329,1204 10.55,1205 8.717,1206 17.924,1207 12.404,1208 16.419,1209 0.288,1210 0.174,1211 17.728,1212 9.902,1213 13.114,1214 0.177,1215 0.085,1216 13.962,1217 6.284,1218 10.846,1219 0.112,1220 0.044,1221 11.697,1222 4.294,1223 8.173,1224 0.07,1225 0.025,1226 8.922,1227 2.855,1228 0.266,1229 118.671,1230 0.2,1231 33.22,1232 0.443,1233 192,1234 713.233,1235 259.023,1236 682.023,1237 903.37,1238 628,1239 227,1240 617.828,1241 306.594,1242 651.62,1243 963.17,1244 609,1245 5.943}
{0 CHEMBL459679,1 1.877,2 14.472,3 0.031,4 0.001,5 123.761,6 8.676,7 0.4,8 4.257,9 4.343,10 4.047,11 3.694,12 5.418,13 3.726,14 4.814,15 4.939,16 4.354,17 4.076,18 6.196,19 4.095,20 5.069,21 5.241,22 4.431,23 4.165,24 6.36,25 4.166,26 5.101,27 5.278,28 4.455,29 4.138,30 6.558,31 4.148,32 5.041,33 5.213,34 4.455,35 4.139,36 6.366,37 4.133,38 5.042,39 5.196,40 4.428,41 4.098,42 6.567,43 4.112,44 4.996,45 5.174,46 4.193,47 3.979,48 6.428,49 3.971,50 4.819,51 5,52 4.088,53 3.886,54 6.107,55 3.868,56 0.369,57 0.945,58 13.503,59 5.239,60 51.447,61 5.681,62 1.1,63 1.443,64 22.594,65 8.777,66 115.12,67 10.119,68 1.532,69 1.64,70 37.082,71 11.226,72 161.093,73 13.614,74 1.84,75 1.621,76 39.034,77 10.654,78 225.116,79 12.8,80 1.546,81 1.589,82 38.301,83 10.58,84 160.498,85 12.201,86 1.684,87 1.545,88 39.904,89 10.322,90 222.982,91 11.798,92 1.725,93 1.388,94 35.031,95 9.111,96 197.864,97 10.795,98 1.127,99 1.217,100 29.293,101 8.454,102 141.058,103 10.405,104 37,105 59,106 0.301,107 0.69,108 0.841,109 0.895,110 0.906,111 0.906,112 3.616,113 0.944,114 -3.08,115 -3.08,116 -2.96,119 35,121 3,125 1,127 4,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 6,159 7,160 1,163 5,165 5,166 5,168 3,169 1,171 4,172 1,173 4,175 2,177 6,178 7,181 5,182 1,183 3,187 3,188 7,190 4,192 1,197 1,198 11,201 8,202 1,211 5,212 6,215 4,216 2,224 3,227 2,228 1,229 1,234 6,235 4,238 5,240 4,246 2464,247 23.93,248 23.93,249 23.93,250 23.93,251 23.93,252 21.571,253 27.042,254 13.689,255 24.492,256 19.694,257 19.694,258 19.694,259 19.694,260 19.694,261 16.033,262 38.461,263 6.451,264 20.727,265 4.03,266 1.611,267 0.671,268 0.333,269 0.267,270 0.267,271 4.311,276 1144,277 4.301,279 81.416,280 189.11,281 244.493,282 160.229,284 2.332,285 72.953,286 0.5,287 0.67,288 0.67,289 0.8,290 0.5,291 0.5,292 0.5,293 0.59,294 83,295 521,296 4.705,297 4.473,298 6.932,299 4.246,300 3.308,301 4.587,302 1.579,303 11.653,304 3.209,305 4.65,306 3.587,307 6.764,308 4.21,309 3.233,310 4.489,311 1.041,312 11.104,313 3.049,314 4.278,315 3.552,316 6.553,317 3.962,318 3.022,319 3.899,320 0.98,321 10.241,322 2.86,323 4.152,324 3.168,325 6.341,326 3.872,327 2.882,328 3.353,329 0.4,330 9.48,331 2.821,332 3.76,333 2.786,334 5.964,335 3.58,336 2.623,337 2.959,339 8.313,340 2.514,341 3.472,342 2.676,343 5.464,344 3.275,345 2.332,346 2.592,347 7.1,348 2.185,349 3.357,350 2.492,351 5.207,352 2.928,353 1.943,354 2.519,355 5.954,356 1.908,357 3.057,358 2.24,359 4.869,360 2.828,361 1.886,362 2.322,363 5.165,364 1.758,365 3.029,366 1.972,367 4.807,368 2.499,369 1.605,370 2.106,371 4.804,372 1.428,373 2.861,374 1.549,375 4.229,376 2.446,377 1.543,378 2.015,379 3.705,380 1.391,381 2.737,382 1.543,383 4.073,384 2.392,385 1.414,386 1.765,387 3.07,388 1.377,389 2.55,390 1.469,391 3.894,392 2.051,393 1.05,394 1.512,395 3.007,396 1.046,397 2.419,398 1.311,399 3.605,400 1.949,401 1.041,402 1.392,403 2.615,404 0.939,405 2.152,406 1.277,407 3.439,408 1.854,409 0.925,410 1.089,411 2.175,412 0.857,413 1.782,414 1.003,415 3.401,416 1.583,417 0.704,418 0.738,419 1.691,420 0.61,421 16.4,422 0.456,423 1.112,424 0.031,425 45,426 1.25,427 19.5,428 0.542,429 25.5,430 0.708,431 32.696,432 0.908,433 41.2,434 0.687,435 40.37,436 1.121,437 8.56,438 0.238,439 8.672,440 0.241,441 0.122,442 0.051,443 0.36,447 0.846,448 1.574,449 0.755,450 1.355,451 0.828,452 0.952,453 0.763,454 1.104,455 0.842,456 1.034,457 0.626,458 1.022,459 0.953,460 1.145,461 0.918,462 1.059,463 0.865,464 0.984,465 1.058,466 0.924,467 0.95,468 0.875,469 0.99,470 0.887,471 1.078,472 1.034,473 1.085,474 1.036,475 1.085,476 0.931,477 1.093,478 1.143,479 1.29,480 1.258,481 1.072,482 1.056,483 1.25,484 0.848,485 1.211,486 0.906,487 1.278,488 1.047,489 1.126,490 1.06,491 1.033,492 1.081,493 1.092,494 1.054,495 8,496 0.32,497 5,498 3.736,499 2.207,500 1.511,501 1.029,502 0.594,503 0.449,504 0.413,505 21190,506 68086,507 2.079,508 40,509 2,510 10,511 1,512 2,513 5,515 4,518 1.773,519 1.92,520 3.772,521 2.41,524 112.626,525 1.877,526 4.296,527 5.236,528 5.574,529 5.64,530 5.64,531 3.256,532 4.816,533 5.14,534 3.977,535 2505.77,536 9.027,537 40530.4,539 354.413,540 1.614,541 5.084,542 0.2,543 0.008,544 0.088,545 0.064,546 0.039,547 0.027,548 0.019,549 0.014,550 0.012,551 0.01,552 0.481,553 0.17,554 0.63,555 0.574,556 197.953,557 -0.099,558 -0.277,559 0.16,560 -0.131,561 -0.164,562 0.029,563 0.15,564 0.05,565 -0.03,566 -0.045,567 0.131,568 -0.095,569 0.039,570 -0.144,571 0.055,572 -0.065,573 0.008,574 -0.007,575 0.045,576 0.06,577 0.05,578 0.068,579 0.089,580 0.045,581 -0.04,582 0.008,583 0.024,584 0.026,585 -0.082,586 0.026,587 0.033,588 -0.094,589 -0.141,590 -0.168,591 0.107,592 -0.119,593 -0.087,594 0.128,595 -0.222,596 -0.002,597 -0.067,598 -0.145,599 -0.117,600 -0.086,601 -0.038,602 -0.086,603 -0.067,604 -0.07,605 5.542,606 5.236,607 0.667,608 43.574,609 1.038,610 1.139,611 1.851,612 3.427,613 0.653,614 3.714,615 4.094,616 4.382,617 4.625,618 4.804,619 4.942,620 5.081,621 5.242,622 5.318,623 5.412,624 8.332,625 0.646,626 520.58,627 3.714,628 5.293,629 6.163,630 7.069,631 7.954,632 8.863,633 9.755,634 10.667,635 11.564,636 12.477,637 10,641 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,660 1,663 1,666 60,667 19,668 1,669 40,671 64,672 21,673 11,674 2,675 4,676 1,677 5,678 6,683 7,686 7,688 12,689 9,691 3,693 1,694 3,697 1,700 24,701 13,702 5,703 15,704 1,706 1,707 6,711 0.8,712 8,714 2,715 1,717 1,720 1,721 2,722 2,730 2,731 1,732 4,733 1,739 36,742 1,743 3,744 4,745 2,746 2,747 5,754 13.3,755 2,756 1,757 3,758 2,761 18.75,762 10.067,763 7.667,764 3.369,765 2.98,766 1.357,767 0.92,768 6.933,769 11.332,770 3.951,771 4.572,772 5.079,773 5.636,774 6.076,775 6.375,776 6.735,777 7.087,778 7.177,779 7.386,780 0.9,781 58,782 14.083,783 6.94,784 8.211,785 24.663,786 21.141,787 2.711,788 97.583,789 223.651,790 88.927,791 86.671,793 217.053,795 7.511,796 81.416,797 440.704,798 86.671,800 28.601,801 130.783,802 238.635,803 15.847,804 14.099,805 188.338,807 223.651,808 168.087,809 217.053,810 7.511,812 176.567,813 159.226,814 104.912,815 51.597,816 48.123,817 75.879,819 223.651,820 303.725,821 88.927,823 7.511,824 223.651,825 26.274,826 57.041,827 34.416,828 267.41,829 223.651,830 303.725,831 88.927,833 0.598,834 0.353,835 0.18,836 0.091,837 30,838 14,839 0.125,840 8,841 1,842 1.083,843 4.633,844 351.485,845 0.083,846 24,847 182.117,848 1,849 24.982,850 9.99,851 5.103,852 0.816,853 301.826,854 8.112,855 12.775,856 -0.131,857 1.422,858 162.466,859 616.303,860 51,862 -4.626,863 36.636,866 -1.102,867 62.258,868 68.322,869 0.318,870 0.727,871 0.886,872 0.944,873 0.955,874 0.955,875 5.236,876 1.886,877 6.196,878 5.954,879 4.779,880 5.26,881 2.341,882 7.074,883 4.677,884 6.466,885 1.605,886 7.805,887 5.165,888 4.575,889 5.345,891 8.22,892 4.453,893 7.818,894 1.543,895 9.519,896 4.804,897 6.491,898 7.543,899 2.873,900 11.282,901 6.307,902 9.208,903 1.414,904 11.293,905 3.705,906 7.083,907 8.456,909 13.204,910 6.871,911 10.632,912 1.05,913 13.103,914 3.07,915 8.507,916 10.2,917 3.593,918 15.827,919 8.246,920 12.079,921 1.041,922 14.938,923 3.007,924 9.429,925 11.454,927 18.039,928 9.133,929 13.544,930 0.925,931 16.79,932 2.615,933 10.681,934 13.046,935 4.417,936 20.525,937 10.341,938 3.308,939 0.704,940 18.654,941 2.175,942 11.742,943 14.441,945 22.854,946 11.364,947 3.233,948 11.653,949 20.527,950 1.691,951 12.933,952 15.978,953 5.291,954 25.295,955 12.514,956 3.022,957 11.104,958 22.407,959 4.587,960 14.053,961 17.435,963 27.675,964 13.594,965 2.882,966 10.241,967 24.293,968 4.489,969 15.225,970 18.952,971 6.188,972 30.103,973 14.727,974 2.623,975 9.48,976 26.183,977 3.899,978 16.372,979 20.437,981 32.508,982 15.834,983 2.332,984 8.313,985 28.078,986 3.353,987 17.54,988 21.948,989 7.095,990 34.934,991 16.963,992 1.943,993 7.1,994 29.975,995 2.959,996 18.699,997 23.445,999 37.351,1000 18.084,1001 19770,1002 35718,1003 26.353,1004 39.17,1005 60.642,1006 63.248,1007 62.983,1008 60.267,1009 60.234,1010 76.054,1011 8,1012 183.062,1013 57.013,1014 5.705,1015 6.473,1016 6.617,1017 5.362,1018 5.308,1019 7.587,1020 3.158,1021 19.382,1022 5.209,1023 19.541,1024 1.516,1025 1.581,1026 1.575,1027 1.507,1028 1.506,1029 1.901,1030 0.2,1031 4.577,1032 1.425,1033 4.12,1034 4.169,1035 4.71,1036 3.936,1037 7.725,1038 3.961,1039 3.987,1040 3.976,1041 4.089,1042 3.878,1043 7.428,1044 3.863,1045 3.872,1046 3.921,1047 3.856,1048 3.766,1049 6.999,1050 3.725,1051 3.84,1052 3.84,1053 3.748,1054 3.725,1055 6.495,1056 3.682,1057 3.744,1058 3.737,1059 3.68,1060 3.573,1061 6.468,1062 3.565,1063 3.319,1064 3.393,1065 3.246,1066 3.079,1067 6.4,1068 3.109,1069 3.203,1070 3.226,1071 3.17,1072 2.984,1073 5.155,1074 3.007,1075 3.077,1076 3.098,1077 2.969,1078 2.854,1079 4.625,1080 2.857,1081 0.118,1082 0.112,1083 0.173,1084 0.106,1085 0.083,1086 4.705,1087 0.115,1088 4.473,1089 0.039,1090 6.932,1091 0.291,1092 4.246,1093 0.08,1094 3.308,1095 4.587,1096 1.579,1097 11.653,1098 3.209,1099 1.898,1100 1.883,1101 2.092,1102 2.071,1103 1.477,1104 2.073,1105 1.897,1106 1.844,1107 1.991,1108 2.005,1109 1.172,1110 2.006,1111 1.759,1112 1.711,1113 1.833,1114 1.952,1115 1.065,1116 1.929,1117 1.645,1118 1.676,1119 1.771,1120 1.858,1121 1,1122 1.868,1123 1.547,1124 1.526,1125 1.64,1126 1.783,1127 0.779,1128 1.76,1129 1.439,1130 1.415,1131 1.364,1132 1.68,1133 0.572,1134 1.676,1135 1.127,1136 1.078,1137 1.318,1138 1.423,1139 0.418,1140 1.395,1141 1.017,1142 1.014,1143 1.142,1144 1.26,1145 0.325,1146 1.23,1147 4.394,1149 5.784,1150 3.045,1151 7.339,1152 5.476,1153 8.966,1154 7.627,1155 10.631,1162 30.763,1163 2.493,1164 4.975,1165 10.497,1166 -5.047,1170 38.775,1171 112.626,1172 257.778,1173 314.149,1174 334.413,1175 338.413,1176 338.413,1177 98.012,1178 8.353,1179 198.02,1180 206.4,1181 26,1182 12.994,1183 4.322,1184 3.585,1185 54.64,1186 181,1187 178,1188 0.145,1189 235.69,1190 411.07,1191 566.844,1192 57233,1194 25.449,1195 0.707,1196 0.544,1197 25.699,1198 19.576,1199 17.232,1200 0.431,1201 0.315,1202 11.044,1203 15.493,1204 10.861,1205 8.852,1206 18.086,1207 12.593,1208 16.48,1209 0.279,1210 0.168,1211 17.789,1212 9.9,1213 13.86,1214 0.175,1215 0.089,1216 14.708,1217 7.052,1218 11.186,1219 0.111,1220 0.045,1221 12.036,1222 4.512,1223 8.365,1224 0.069,1225 0.024,1226 9.113,1227 2.96,1228 0.233,1229 119.596,1230 0.195,1231 33.245,1232 0.387,1233 198,1234 719.233,1235 265.356,1236 687.21,1237 914.77,1238 634,1239 237,1240 630.109,1241 316.76,1242 662.221,1243 982.12,1244 621,1245 6.907}
{0 CHEMBL461568,1 1.883,2 13.886,3 -0.189,4 0.036,5 121.116,6 8.62,7 0.421,8 4.228,9 4.316,10 4.012,11 3.642,12 5.418,13 3.677,14 4.781,15 4.911,16 4.335,17 4.026,18 6.19,19 4.054,20 5.035,21 5.197,22 4.418,23 4.143,24 6.36,25 4.15,26 5.114,27 5.3,28 4.443,29 4.132,30 6.563,31 4.135,32 5.03,33 5.201,34 4.432,35 4.116,36 6.372,37 4.108,38 5.034,39 5.191,40 4.392,41 4.066,42 6.57,43 4.075,44 4.981,45 5.167,46 4.141,47 3.928,48 6.417,49 3.918,50 4.766,51 4.941,52 4.063,53 3.837,54 6.087,55 3.824,56 0.37,57 0.91,58 13.541,59 4.989,60 49.025,61 5.573,62 1.109,63 1.376,64 22.902,65 8.302,66 115.343,67 9.783,68 1.502,69 1.585,70 35.101,71 10.576,72 154.759,73 12.781,74 1.873,75 1.59,76 40.746,77 10.828,78 232.734,79 13.549,80 1.553,81 1.54,82 38.054,83 10.194,84 162.681,85 11.975,86 1.69,87 1.48,88 40.16,89 10.104,90 223.752,91 11.912,92 1.752,93 1.302,94 35.705,95 8.721,96 200.395,97 10.688,98 1.084,99 1.131,100 28.028,101 8.104,102 140.42,103 10.057,104 67,105 56,106 0.304,107 0.693,108 0.84,109 0.881,110 0.891,111 0.891,112 3.588,113 0.942,114 -2.86,115 -2.87,116 -2.77,119 33.9,120 2,125 1,127 4,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 4,159 7,160 1,163 5,165 5,166 5,168 3,169 1,171 4,172 1,173 3,175 2,177 6,178 7,181 5,182 1,183 3,187 3,188 6,190 4,192 1,197 1,198 10,201 8,202 1,211 5,212 4,215 4,216 2,224 3,227 2,228 1,229 1,234 6,235 3,238 5,240 4,246 2277,247 22.775,248 22.775,249 22.775,250 22.775,251 22.775,252 20.417,253 27.042,254 13.026,255 23.355,256 18.694,257 18.694,258 18.694,259 18.694,260 18.694,261 15.033,262 38.461,263 6.126,264 19.74,265 4,266 1.591,267 0.682,268 0.432,269 0.365,270 0.365,271 4.274,276 1036,277 4.583,280 184.905,281 238.916,282 156.936,284 2.181,285 71.768,286 0.5,287 0.67,288 0.67,289 0.8,290 0.5,291 0.5,292 0.5,293 0.59,294 81,295 486,296 4.705,297 4.473,298 6.931,299 4.246,300 3.307,301 4.587,302 1.579,303 11.652,304 3.209,305 4.649,306 3.586,307 6.764,308 4.21,309 3.233,310 4.489,311 1.041,312 11.104,313 3.048,314 4.278,315 3.552,316 6.552,317 3.957,318 3.017,319 3.899,320 0.98,321 10.235,322 2.859,323 4.15,324 3.161,325 6.341,326 3.872,327 2.882,328 3.35,329 0.4,330 9.48,331 2.816,332 3.724,333 2.707,334 5.954,335 3.419,336 2.493,337 2.952,339 8.236,340 2.303,341 3.357,342 2.676,343 5.334,344 3.06,345 2.111,346 2.592,347 6.301,348 1.997,349 3.182,350 2.331,351 4.897,352 2.924,353 1.929,354 2.328,355 5.201,356 1.906,357 3.045,358 2.208,359 4.854,360 2.77,361 1.834,362 2.223,363 5.097,364 1.705,365 2.949,366 1.858,367 4.56,368 2.469,369 1.569,370 2.015,371 4.464,372 1.409,373 2.861,374 1.548,375 4.123,376 2.44,377 1.54,378 1.984,379 3.665,380 1.38,381 2.72,382 1.543,383 4.067,384 2.392,385 1.414,386 1.752,387 3.07,388 1.377,389 2.55,390 1.469,391 3.894,392 2.051,393 1.048,394 1.512,395 2.937,396 1.045,397 2.41,398 1.311,399 3.605,400 1.945,401 1.038,402 1.383,403 2.615,404 0.937,405 2.098,406 1.233,407 3.439,408 1.679,409 0.779,410 0.996,411 1.892,412 0.699,413 1.772,414 0.9,415 3.325,416 1.556,417 0.692,418 0.728,419 1.683,420 0.591,421 15.9,422 0.454,423 1.188,424 0.034,425 44,426 1.257,427 19.5,428 0.557,429 24.5,430 0.7,431 32.046,432 0.916,433 40.5,434 0.686,435 40.368,436 1.153,437 8.585,438 0.245,439 7.985,440 0.228,441 0.189,442 0.052,443 0.371,447 0.859,448 1.641,449 0.769,450 1.405,451 0.86,452 0.986,453 0.774,454 1.06,455 0.792,456 0.964,457 0.639,458 0.925,459 0.991,460 1.173,461 0.961,462 1.095,463 0.905,464 1.025,465 1.004,466 0.922,467 0.904,468 0.871,469 0.952,470 0.873,471 1.091,472 1.038,473 1.111,474 1.056,475 1.092,476 0.961,477 1.08,478 1.162,479 1.301,480 1.298,481 1.064,482 1.1,483 1.257,484 0.782,485 1.211,486 0.871,487 1.283,488 1.022,489 1.118,490 1.104,491 0.999,492 1.116,493 1.117,494 1.052,495 8.5,496 0.296,497 5.111,498 3.674,499 2.336,500 1.636,501 1.111,502 0.609,503 0.494,504 0.423,505 18260,506 62340,507 2.001,508 40.7,510 10,511 1,512 2,513 5,515 6,518 1.766,519 1.818,520 3.718,521 2.445,524 111.089,525 1.883,526 4.291,527 5.2,528 5.45,529 5.518,530 5.518,531 3.247,532 4.901,533 5.1,534 3.93,535 2338.46,536 8.947,537 36961,539 347.076,540 1.691,541 5.023,542 0.224,543 0.008,544 0.091,545 0.064,546 0.042,547 0.031,548 0.021,549 0.015,550 0.013,551 0.011,552 0.521,553 0.17,554 0.75,555 0.926,556 190.546,557 -0.104,558 -0.322,559 0.161,560 -0.159,561 -0.194,562 0.011,563 0.155,564 0.099,565 0.036,566 0.029,567 0.131,568 0.008,569 0.008,570 -0.136,571 -0.007,572 -0.09,573 -0.025,574 -0.061,575 0.07,576 0.042,577 0.097,578 0.075,579 0.102,580 0.077,581 -0.057,582 0.014,583 -0.009,584 0.009,585 -0.092,586 -0.008,587 0.035,588 -0.119,589 -0.152,590 -0.201,591 0.103,592 -0.156,593 -0.092,594 0.175,595 -0.212,596 0.022,597 -0.072,598 -0.121,599 -0.099,600 -0.128,601 -0.004,602 -0.097,603 -0.063,604 -0.058,605 5.545,606 5.206,607 0.571,608 40.351,609 1.038,610 1.141,611 1.628,612 2.651,613 0.647,614 3.664,615 4.043,616 4.304,617 4.585,618 4.754,619 4.868,620 4.99,621 5.142,622 5.182,623 5.247,624 8.104,625 0.64,626 508.57,627 3.664,628 5.242,629 6.103,630 7.009,631 7.89,632 8.801,633 9.691,634 10.604,635 11.5,636 12.414,637 10.2,641 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,660 1,663 1,666 59,667 19,668 1,669 38,671 62,672 20,673 11,674 2,675 4,676 1,677 4,678 5,681 2,683 3,686 4,688 12,689 8,691 3,693 1,694 3,697 1,700 24,701 13,702 5,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,735 2,739 35,742 1,743 3,744 1,745 2,746 2,747 5,754 13.6,755 2,756 1,757 3,758 2,761 19.25,762 10.567,763 7.5,764 3.203,765 2.922,766 1.362,767 0.896,768 7.348,769 11.004,770 3.912,771 4.541,772 5.041,773 5.622,774 6.057,775 6.341,776 6.686,777 7.022,778 7.058,779 7.237,780 1,781 57,782 13.676,783 6.646,784 8.274,785 23.627,786 19.618,787 2.774,788 97.083,789 223.651,790 98.974,791 86.671,793 217.053,795 7.511,796 91.463,797 440.704,798 86.671,799 17.65,800 20.997,801 130.783,802 238.635,803 15.847,804 14.099,805 188.338,807 223.651,808 178.134,809 217.053,810 7.511,812 153.024,813 182.768,814 104.912,815 61.644,816 48.123,817 75.879,819 223.651,820 303.725,821 98.974,823 7.511,824 223.651,825 18.67,826 74.692,827 34.416,828 267.41,829 223.651,830 303.725,831 98.974,833 0.597,834 0.343,835 0.184,836 0.096,837 27,838 14,839 0.129,840 8,841 1,842 1.1,843 4.412,844 332.524,845 0.1,846 20,847 175.525,848 1,849 25.406,850 10.122,851 5.442,852 0.74,853 301.826,854 8.028,855 12.592,856 -0.209,857 1.394,858 162.466,859 626.349,860 49,862 -4.629,863 36.554,866 -1.107,867 61.258,868 67.322,869 0.32,870 0.73,871 0.884,872 0.927,873 0.938,874 0.938,875 5.193,876 1.834,877 6.146,878 5.201,879 4.727,880 5.228,881 2.341,882 7.027,883 4.62,884 6.435,885 1.569,886 7.76,887 5.097,888 4.575,889 5.345,891 8.196,892 4.453,893 7.787,894 1.54,895 9.478,896 4.464,897 6.431,898 7.522,899 2.873,900 11.247,901 6.236,902 9.179,903 1.414,904 11.256,905 3.665,906 7.057,907 8.449,909 13.183,910 6.843,911 10.605,912 1.048,913 13.07,914 3.07,915 8.456,916 10.191,917 3.593,918 15.807,919 8.184,920 12.055,921 1.038,922 14.908,923 2.937,924 9.4,925 11.45,927 18.027,928 9.099,929 13.523,930 0.779,931 16.764,932 2.615,933 10.642,934 13.042,935 4.417,936 20.515,937 10.293,938 3.307,939 0.692,940 18.631,941 1.892,942 11.716,943 14.439,945 22.847,946 11.333,947 3.233,948 11.652,949 20.507,950 1.683,951 12.904,952 15.977,953 5.291,954 25.289,955 12.478,956 3.017,957 11.104,958 22.39,959 4.587,960 14.032,961 17.434,963 27.671,964 13.569,965 2.882,966 10.235,967 24.278,968 4.489,969 15.204,970 18.951,971 6.188,972 30.1,973 14.701,974 2.493,975 9.48,976 26.171,977 3.899,978 16.355,979 20.436,981 32.505,982 15.814,983 2.111,984 8.236,985 28.067,986 3.35,987 17.524,988 21.947,989 7.095,990 34.931,991 16.944,992 1.929,993 6.301,994 29.966,995 2.952,996 18.686,997 23.445,999 37.349,1000 18.069,1001 17616,1002 32828,1003 24.274,1004 38.17,1005 58.22,1006 60.762,1007 60.86,1008 57.713,1009 57.774,1010 73.58,1011 8,1012 175.261,1013 54.559,1014 5.683,1015 6.473,1016 6.616,1017 5.362,1018 5.307,1019 7.587,1020 3.158,1021 19.38,1022 5.209,1023 22.513,1024 1.532,1025 1.599,1026 1.602,1027 1.519,1028 1.52,1029 1.936,1030 0.211,1031 4.612,1032 1.436,1033 4.115,1034 4.163,1035 4.709,1036 3.929,1037 7.725,1038 3.955,1039 3.987,1040 3.976,1041 4.086,1042 3.876,1043 7.428,1044 3.863,1045 3.856,1046 3.853,1047 3.856,1048 3.764,1049 6.999,1050 3.69,1051 3.761,1052 3.758,1053 3.717,1054 3.586,1055 6.495,1056 3.577,1057 3.622,1058 3.69,1059 3.474,1060 3.446,1061 6.468,1062 3.437,1063 3.298,1064 3.372,1065 3.209,1066 3.063,1067 6.4,1068 3.09,1069 3.201,1070 3.226,1071 3.169,1072 2.982,1073 5.156,1074 3.005,1075 3.077,1076 3.097,1077 2.968,1078 2.853,1079 4.625,1080 2.857,1081 0.124,1082 0.118,1083 0.182,1084 0.112,1085 0.087,1086 4.705,1087 0.121,1088 4.473,1089 0.042,1090 6.931,1091 0.307,1092 4.246,1093 0.084,1094 3.307,1095 4.587,1096 1.579,1097 11.652,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.025,1103 1.173,1104 2.006,1105 1.819,1106 1.771,1107 1.943,1108 2.005,1109 1.111,1110 1.993,1111 1.65,1112 1.676,1113 1.817,1114 1.862,1115 1.064,1116 1.87,1117 1.616,1118 1.565,1119 1.763,1120 1.852,1121 0.992,1122 1.85,1123 1.523,1124 1.491,1125 1.633,1126 1.739,1127 0.758,1128 1.738,1129 1.434,1130 1.403,1131 1.417,1132 1.677,1133 0.57,1134 1.67,1135 1.125,1136 1.077,1137 1.364,1138 1.421,1139 0.469,1140 1.394,1141 1.016,1142 1.013,1143 1.318,1144 1.26,1145 0.41,1146 1.308,1147 4.344,1149 5.707,1150 3.045,1151 7.246,1152 5.476,1153 8.867,1154 7.627,1155 10.532,1157 3.851,1162 30.66,1163 -0.708,1164 4.792,1165 10.446,1166 -5.32,1170 37.775,1171 111.089,1172 253.196,1173 306.811,1174 321.566,1175 325.566,1176 325.566,1177 106.414,1178 8.082,1179 198.02,1180 206.4,1181 22,1182 12.93,1183 4.322,1184 3.585,1185 59.681,1186 171,1187 159,1188 0.169,1189 233.491,1190 406.13,1191 561.478,1192 40095,1194 25.328,1195 0.724,1196 0.556,1197 25.578,1198 19.454,1199 16.57,1200 0.436,1201 0.314,1202 10.383,1203 14.823,1204 10.096,1205 8.318,1206 17.424,1207 11.931,1208 16.077,1209 0.287,1210 0.168,1211 17.386,1212 9.427,1213 12.774,1214 0.175,1215 0.083,1216 13.621,1217 6.031,1218 10.839,1219 0.112,1220 0.044,1221 11.689,1222 4.243,1223 8.067,1224 0.07,1225 0.024,1226 8.815,1227 2.784,1228 0.27,1229 115.625,1230 0.203,1231 32.375,1232 0.453,1233 188,1234 709.233,1235 255.356,1236 677.869,1237 898.41,1238 624,1239 223,1240 616.109,1241 302.427,1242 649.151,1243 959.54,1244 607,1245 8.155}
{0 CHEMBL516501,1 1.909,2 13.765,3 -0.567,4 0.321,5 116.698,6 8.831,7 0.432,8 4.185,9 4.27,10 3.99,11 3.595,12 5.39,13 3.637,14 4.732,15 4.856,16 4.304,17 3.975,18 6.166,19 4.01,20 4.975,21 5.131,22 4.396,23 4.08,24 6.322,25 4.1,26 5.029,27 5.191,28 4.415,29 4.068,30 6.534,31 4.087,32 4.988,33 5.159,34 4.39,35 4.057,36 6.338,37 4.05,38 4.972,39 5.129,40 4.342,41 3.984,42 6.53,43 4,44 4.893,45 5.066,46 4.111,47 3.849,48 6.375,49 3.854,50 4.717,51 4.888,52 4.02,53 3.776,54 6.061,55 3.769,56 0.385,57 0.871,58 12.414,59 4.683,60 52.117,61 5.011,62 1.111,63 1.307,64 20.795,65 7.755,66 113.545,67 8.771,68 1.508,69 1.483,70 32.845,71 10.004,72 161.616,73 11.705,74 1.806,75 1.486,76 34.883,77 9.728,78 225.641,79 11.282,80 1.567,81 1.448,82 36.314,83 9.899,84 166.404,85 11.295,86 1.695,87 1.355,88 38.298,89 9.549,90 226.613,91 10.846,92 1.689,93 1.184,94 32.029,95 8.2,96 200.852,97 9.461,98 1.122,99 1.068,100 26.361,101 7.595,102 143.229,103 9.135,104 52,105 54,106 0.311,107 0.709,108 0.862,109 0.904,110 0.916,111 0.916,112 3.56,113 0.936,114 -2.63,115 -2.65,116 -2.58,119 33.9,120 1,125 2,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 4,159 7,160 1,163 5,165 4,166 4,168 3,169 1,171 4,172 1,173 3,175 2,177 6,178 6,181 5,182 1,183 3,187 3,188 5,190 4,192 1,197 1,198 8,201 8,202 1,211 5,212 4,215 4,216 2,224 2,227 2,228 1,229 1,234 6,235 3,238 5,240 3,246 2102,247 22.491,248 22.491,249 22.491,250 22.491,251 22.491,252 20.132,253 25.461,254 12.978,255 23.096,256 18.16,257 18.16,258 18.16,259 18.16,260 18.16,261 14.489,262 33.461,263 5.999,264 19.209,265 3.899,266 1.461,267 0.527,268 0.263,269 0.192,270 0.192,271 4.248,275 1,276 1001,277 4.359,280 179.487,281 231.342,282 151.772,284 2.131,285 70.961,286 0.75,287 0.67,288 0.83,289 0.7,291 0.67,292 0.5,293 0.59,294 79,295 468,296 4.705,297 4.473,298 6.931,299 4.245,300 3.307,301 4.587,302 1.579,303 11.648,304 3.209,305 4.648,306 3.586,307 6.764,308 4.209,309 3.233,310 4.489,311 1.041,312 11.104,313 3.046,314 4.278,315 3.552,316 6.549,317 3.952,318 3.012,319 3.899,320 0.98,321 10.22,322 2.859,323 4.148,324 3.151,325 6.341,326 3.872,327 2.882,328 3.345,329 0.4,330 9.48,331 2.811,332 3.701,333 2.678,334 5.943,335 3.362,336 2.44,337 2.943,339 8.175,340 2.244,341 3.357,342 2.652,343 5.305,344 2.932,345 1.964,346 2.592,347 6.135,348 1.909,349 3.081,350 2.26,351 4.874,352 2.864,353 1.906,354 2.325,355 5.168,356 1.792,357 3.04,358 2.075,359 4.828,360 2.536,361 1.641,362 2.143,363 4.858,364 1.46,365 2.861,366 1.55,367 4.259,368 2.448,369 1.544,370 2.015,371 3.722,372 1.395,373 2.75,374 1.543,375 4.074,376 2.392,377 1.414,378 1.775,379 3.071,380 1.377,381 2.55,382 1.47,383 3.894,384 2.094,385 1.172,386 1.512,387 3.048,388 1.077,389 2.44,390 1.435,391 3.605,392 2.051,393 1.047,394 1.419,395 2.615,396 1.045,397 2.281,398 1.311,399 3.439,400 1.941,401 1.033,402 1.263,403 2.266,404 0.934,405 1.96,406 1.152,407 3.406,408 1.607,409 0.715,410 0.846,411 1.691,412 0.632,413 1.772,414 0.864,415 3.079,416 1.54,417 0.658,418 0.725,419 1.368,420 0.576,421 15.4,422 0.453,423 1.044,424 0.031,425 43.5,426 1.279,427 19.5,428 0.574,429 24,430 0.706,431 29.497,432 0.868,433 39.2,434 0.7,435 39.494,436 1.162,437 8.622,438 0.254,439 7.592,440 0.223,441 0.162,442 0.054,443 0.351,447 0.871,448 1.645,449 0.762,450 1.404,451 0.86,452 0.966,453 0.797,454 1.027,455 0.814,456 0.954,457 0.656,458 0.928,459 0.992,460 1.153,461 0.924,462 1.066,463 0.913,464 0.971,465 1.082,466 0.964,467 0.993,468 0.932,469 1.02,470 0.953,471 1.079,472 1.029,473 1.119,474 1.074,475 1.087,476 0.981,477 1.094,478 1.094,479 1.312,480 1.276,481 1.081,482 1.064,483 1.271,484 0.793,485 1.206,486 0.889,487 1.332,488 1.022,489 1.155,490 1.087,491 1.037,492 1.103,493 1.141,494 1.062,495 7.5,496 0.279,497 5.111,498 3.549,499 2.176,500 1.577,501 1.016,502 0.578,503 0.469,504 0.358,505 16947,506 59747,507 2.018,508 39.3,510 11,511 1,512 2,513 5,515 3,518 1.759,519 1.846,520 3.701,521 2.482,524 106.884,525 1.909,526 4.346,527 5.28,528 5.544,529 5.615,530 5.615,531 3.231,532 4.712,533 5.059,534 3.895,535 2185.07,536 8.864,537 33726.9,539 325.212,540 1.667,541 4.989,542 0.203,543 0.008,544 0.095,545 0.063,546 0.04,547 0.032,548 0.021,549 0.015,550 0.013,551 0.01,552 0.499,553 0.17,554 0.75,555 0.918,556 183.306,557 -0.118,558 -0.335,559 0.16,560 -0.166,561 -0.194,562 0.013,563 0.131,564 0.128,565 0.001,566 0.029,567 0.113,568 -0.012,569 0.014,570 -0.137,571 0.04,572 -0.058,573 -0.019,574 -0.002,575 0.015,576 0.032,577 -0.01,578 0.022,579 0.066,580 -0.028,581 -0.054,582 -0.003,583 -0.004,584 -0.004,585 -0.092,586 -0.015,587 0.031,588 -0.08,589 -0.136,590 -0.172,591 0.106,592 -0.114,593 -0.088,594 0.15,595 -0.2,596 0.025,597 -0.079,598 -0.113,599 -0.13,600 -0.123,601 -0.033,602 -0.088,603 -0.083,604 -0.069,605 5.54,606 5.18,607 0.588,608 37.616,609 1.042,610 1.141,611 1.401,612 1.962,613 0.65,614 3.638,615 4.007,616 4.29,617 4.564,618 4.727,619 4.836,620 4.956,621 5.094,622 5.13,623 5.182,624 7.911,625 0.647,626 494.54,627 3.638,628 5.209,629 6.075,630 6.98,631 7.864,632 8.774,633 9.666,634 10.578,635 11.476,636 12.389,637 10.7,641 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,660 1,663 1,666 56,667 19,668 1,669 37,671 59,672 19,673 11,674 2,675 4,676 1,677 4,678 5,681 1,683 3,686 3,688 12,689 7,691 3,693 1,694 3,697 1,700 22,701 13,702 5,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,735 1,739 34,742 1,743 3,744 2,745 2,746 2,747 4,754 14.3,755 2,756 1,757 3,758 2,761 18.417,762 9.733,763 7.417,764 3.078,765 2.901,766 1.363,767 0.903,768 7.109,769 10.901,770 3.892,771 4.519,772 5.035,773 5.611,774 6.041,775 6.317,776 6.656,777 6.977,778 7.004,779 7.166,780 1,781 56,782 13.293,783 6.477,784 8.301,785 22.871,786 18.939,787 2.801,788 95.25,789 200.109,790 92.254,791 86.671,793 217.053,795 7.511,796 84.743,797 417.162,798 86.671,799 8.825,800 23.103,801 130.783,802 238.635,803 15.847,804 14.099,805 164.795,807 200.109,808 171.414,809 217.053,810 7.511,812 164.795,813 147.455,814 104.912,815 54.924,816 48.123,817 75.879,819 200.109,820 303.725,821 92.254,823 7.511,824 200.109,825 20.776,826 65.866,827 34.416,828 267.41,829 200.109,830 303.725,831 92.254,833 0.591,834 0.351,835 0.19,836 0.098,837 26,838 13,839 0.136,840 8,841 1,842 1.1,843 4.355,844 319.635,845 0.1,846 20,847 170.974,848 1,849 24.437,850 9.891,851 5.063,852 0.745,853 301.826,854 8.015,855 12.482,856 -0.206,857 1.389,858 162.466,859 596.088,860 48,862 -4.623,863 36.481,866 -1.107,867 58.374,868 63.907,869 0.329,870 0.748,871 0.909,872 0.955,873 0.967,874 0.967,875 5.165,876 1.641,877 6.111,878 5.168,879 4.691,880 5.207,881 2.341,882 6.997,883 4.582,884 6.404,885 1.544,886 7.727,887 4.858,888 4.511,889 5.316,891 8.176,892 4.388,893 7.758,894 1.414,895 9.449,896 3.722,897 6.399,898 7.511,899 2.873,900 11.231,901 6.203,902 9.154,903 1.172,904 11.231,905 3.071,906 7.022,907 8.441,909 13.176,910 6.808,911 10.584,912 1.047,913 13.05,914 3.048,915 8.432,916 10.187,917 3.593,918 15.799,919 8.16,920 12.038,921 1.033,922 14.892,923 2.615,924 9.378,925 11.447,927 18.021,928 9.079,929 13.509,930 0.715,931 16.751,932 2.266,933 10.625,934 13.04,935 4.417,936 20.509,937 10.278,938 3.307,939 0.658,940 18.62,941 1.691,942 11.701,943 14.438,945 22.842,946 11.32,947 3.233,948 11.648,949 20.498,950 1.368,951 12.892,952 15.975,953 5.291,954 25.284,955 12.468,956 3.012,957 11.104,958 22.383,959 4.587,960 14.021,961 17.433,963 27.666,964 13.56,965 2.882,966 10.22,967 24.272,968 4.489,969 15.194,970 18.95,971 6.188,972 30.095,973 14.693,974 2.44,975 9.48,976 26.165,977 3.899,978 16.346,979 20.435,981 32.5,982 15.807,983 1.964,984 8.175,985 28.062,986 3.345,987 17.515,988 21.946,989 7.095,990 34.926,991 16.938,992 1.906,993 6.135,994 29.961,995 2.943,996 18.678,997 23.444,999 37.344,1000 18.063,1001 16298,1002 30836,1003 23.868,1004 36.409,1005 56.219,1006 58.743,1007 59.027,1008 55.873,1009 55.932,1010 71.753,1011 8,1012 169.14,1013 52.733,1014 5.683,1015 6.473,1016 6.699,1017 5.362,1018 5.307,1019 7.587,1020 3.158,1021 19.372,1022 5.209,1023 20.51,1024 1.519,1025 1.588,1026 1.595,1027 1.51,1028 1.512,1029 1.939,1030 0.216,1031 4.571,1032 1.425,1033 4.113,1034 4.162,1035 4.709,1036 3.928,1037 7.725,1038 3.953,1039 3.987,1040 3.976,1041 4.084,1042 3.875,1043 7.428,1044 3.863,1045 3.855,1046 3.851,1047 3.856,1048 3.764,1049 6.999,1050 3.69,1051 3.758,1052 3.748,1053 3.715,1054 3.582,1055 6.495,1056 3.574,1057 3.528,1058 3.615,1059 3.379,1060 3.314,1061 6.468,1062 3.31,1063 3.283,1064 3.359,1065 3.179,1066 3.052,1067 6.4,1068 3.074,1069 3.2,1070 3.225,1071 3.158,1072 2.981,1073 5.155,1074 3.003,1075 3.077,1076 3.097,1077 2.968,1078 2.853,1079 4.625,1080 2.857,1081 0.127,1082 0.121,1083 0.187,1084 0.115,1085 0.089,1086 4.705,1087 0.124,1088 4.473,1089 0.043,1090 6.931,1091 0.315,1092 4.245,1093 0.087,1094 3.307,1095 4.587,1096 1.579,1097 11.648,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.02,1103 1.172,1104 2.006,1105 1.81,1106 1.763,1107 1.897,1108 2.005,1109 1.065,1110 1.982,1111 1.647,1112 1.676,1113 1.802,1114 1.859,1115 1.033,1116 1.869,1117 1.575,1118 1.541,1119 1.75,1120 1.831,1121 0.972,1122 1.814,1123 1.473,1124 1.438,1125 1.627,1126 1.7,1127 0.749,1128 1.713,1129 1.419,1130 1.356,1131 1.364,1132 1.662,1133 0.57,1134 1.661,1135 1.125,1136 1.077,1137 1.318,1138 1.421,1139 0.41,1140 1.393,1141 1.016,1142 1.013,1143 1.142,1144 1.26,1145 0.205,1146 1.23,1147 4.317,1149 5.673,1150 3.045,1151 7.215,1152 5.476,1153 8.839,1154 7.627,1155 10.508,1157 1.884,1162 30.571,1163 -0.114,1164 4.691,1165 10.413,1166 -5.371,1170 36.248,1171 106.884,1172 243.384,1173 295.702,1174 310.457,1175 314.457,1176 314.457,1177 100.433,1178 8.001,1179 198.02,1180 206.4,1181 22,1182 12.905,1183 4.322,1184 3.585,1185 57.081,1186 162,1187 162,1188 0.171,1189 223.899,1190 388.83,1191 538.073,1192 36186,1194 24.457,1195 0.719,1196 0.547,1197 24.707,1198 18.584,1199 16.214,1200 0.438,1201 0.312,1202 9.998,1203 14.461,1204 9.787,1205 8.024,1206 17.068,1207 11.548,1208 15.236,1209 0.282,1210 0.16,1211 16.546,1212 8.658,1213 12.659,1214 0.176,1215 0.083,1216 13.507,1217 5.95,1218 10.67,1219 0.112,1220 0.044,1221 11.52,1222 4.161,1223 7.897,1224 0.071,1225 0.024,1226 8.645,1227 2.717,1228 0.272,1229 113.536,1230 0.205,1231 31.604,1232 0.457,1233 182,1234 703.233,1235 249.023,1236 670.739,1237 888.83,1238 618,1239 217,1240 607.828,1241 296.261,1242 639.572,1243 947.23,1244 599,1245 8.357}
{0 CHEMBL518346,1 1.935,2 13.182,3 -0.915,4 0.838,5 111.95,6 9.066,7 0.444,8 4.14,9 4.221,10 3.968,11 3.546,12 5.368,13 3.596,14 4.681,15 4.798,16 4.284,17 3.928,18 6.143,19 3.974,20 4.913,21 5.052,22 4.379,23 4.038,24 6.297,25 4.067,26 4.992,27 5.149,28 4.388,29 4.023,30 6.52,31 4.048,32 4.944,33 5.114,34 4.346,35 3.995,36 6.309,37 3.989,38 4.907,39 5.062,40 4.29,41 3.893,42 6.49,43 3.92,44 4.798,45 4.953,46 4.08,47 3.763,48 6.334,49 3.785,50 4.665,51 4.831,52 3.974,53 3.712,54 6.042,55 3.71,56 0.399,57 0.832,58 11.268,59 4.381,60 54.169,61 4.443,62 1.113,63 1.245,64 18.769,65 7.209,66 113.201,67 7.732,68 1.479,69 1.41,70 28.994,71 9.558,72 162.998,73 10.541,74 1.819,75 1.422,76 32.471,77 9.267,78 228.751,79 10.255,80 1.583,81 1.357,82 34.592,83 9.615,84 170.976,85 10.634,86 1.695,87 1.229,88 36.585,89 9.003,90 229.818,91 9.809,92 1.622,93 1.066,94 28.295,95 7.672,96 200.76,97 8.228,98 1.158,99 1.005,100 24.635,101 7.09,102 144.502,103 8.192,104 51,105 53,106 0.319,107 0.719,108 0.859,109 0.905,110 0.917,111 0.917,112 3.532,113 0.916,114 -2.4,115 -2.43,116 -2.38,119 34,124 1,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 4,159 7,160 1,163 5,165 3,166 4,168 3,169 1,171 4,172 1,173 3,175 2,177 6,178 5,181 5,182 1,183 3,187 3,188 4,190 4,192 1,197 1,198 6,201 8,202 1,211 5,212 4,215 4,216 2,224 1,227 2,228 1,229 1,234 6,235 3,238 5,240 2,246 1913,247 21.784,248 21.784,249 21.784,250 21.784,251 21.784,252 19.425,253 23.88,254 12.368,255 22.371,256 17.622,257 17.622,258 17.622,259 17.622,260 17.622,261 13.928,262 30.961,263 5.695,264 18.641,265 3.793,266 1.364,267 0.519,268 0.241,269 0.165,270 0.165,271 4.218,275 1,276 935,277 4.243,280 174.07,281 223.768,282 146.607,284 2.006,285 69.858,286 0.75,287 0.67,288 0.83,289 0.7,291 0.67,292 0.5,293 0.59,294 77,295 435,296 4.705,297 4.473,298 6.93,299 4.245,300 3.306,301 4.586,302 1.579,303 11.645,304 3.209,305 4.648,306 3.586,307 6.764,308 4.208,309 3.233,310 4.489,311 1.041,312 11.104,313 3.045,314 4.278,315 3.552,316 6.548,317 3.95,318 3.01,319 3.899,320 0.98,321 10.21,322 2.859,323 4.147,324 3.148,325 6.341,326 3.872,327 2.882,328 3.343,329 0.4,330 9.48,331 2.81,332 3.695,333 2.678,334 5.939,335 3.353,336 2.43,337 2.94,339 8.144,340 2.236,341 3.357,342 2.641,343 5.298,344 2.931,345 1.956,346 2.592,347 6.086,348 1.909,349 3.074,350 2.255,351 4.872,352 2.851,353 1.901,354 2.325,355 5.167,356 1.779,357 3.038,358 2.047,359 4.823,360 2.514,361 1.622,362 2.135,363 4.825,364 1.439,365 2.861,366 1.549,367 4.238,368 2.447,369 1.544,370 2.015,371 3.704,372 1.393,373 2.744,374 1.543,375 4.073,376 2.392,377 1.414,378 1.771,379 3.07,380 1.377,381 2.55,382 1.469,383 3.894,384 2.051,385 1.05,386 1.512,387 2.99,388 1.046,389 2.424,390 1.311,391 3.605,392 1.948,393 1.041,394 1.397,395 2.615,396 0.939,397 2.168,398 1.307,399 3.439,400 1.798,401 0.901,402 1.105,403 2.003,404 0.807,405 1.773,406 1.004,407 3.355,408 1.564,409 0.699,410 0.731,411 1.686,412 0.597,413 1.555,414 0.815,415 2.948,416 1.234,417 0.335,418 0.395,419 0.549,420 0.3,421 14.9,422 0.452,423 1.044,424 0.032,425 43,426 1.303,427 19.5,428 0.591,429 23.5,430 0.712,431 27.457,432 0.832,433 37.9,434 0.715,435 38.978,436 1.181,437 8.673,438 0.263,439 7.042,440 0.213,441 0.168,442 0.056,443 0.362,447 0.886,448 1.649,449 0.755,450 1.402,451 0.869,452 0.945,453 0.822,454 0.957,455 0.814,456 0.901,457 0.671,458 0.88,459 0.999,460 1.215,461 0.945,462 1.133,463 0.932,464 1.032,465 1.099,466 0.945,467 1.029,468 0.937,469 1.028,470 0.982,471 1.068,472 1.02,473 1.13,474 1.095,475 1.083,476 1.005,477 1.112,478 1.019,479 1.327,480 1.252,481 1.104,482 1.023,483 1.295,484 0.808,485 1.203,486 0.912,487 1.397,488 1.021,489 1.197,490 1.068,491 1.081,492 1.09,493 1.167,494 1.074,495 7.5,496 0.279,497 5.111,498 3.549,499 2.176,500 1.549,501 0.92,502 0.578,503 0.445,504 0.313,505 15638,506 57158,507 2.018,508 37.7,510 12,511 1,512 2,513 5,518 1.751,519 1.842,520 3.647,521 2.521,524 102.573,525 1.935,526 4.364,527 5.209,528 5.487,529 5.563,530 5.563,531 3.095,532 4.802,533 5.018,534 3.842,535 2028.73,536 8.778,537 30557.7,539 303.58,540 1.681,541 4.943,542 0.208,543 0.009,544 0.096,545 0.065,546 0.042,547 0.033,548 0.02,549 0.015,550 0.013,551 0.009,552 0.511,553 0.17,554 0.75,555 0.78,556 175.998,557 -0.134,558 -0.349,559 0.158,560 -0.173,561 -0.203,562 0.015,563 0.105,564 0.197,565 -0.014,566 0.072,567 0.098,568 0.018,569 0.003,570 -0.192,571 0.002,572 -0.108,573 -0.031,574 -0.065,575 -0.013,576 0.044,577 -0.048,578 0.012,579 0.048,580 -0.059,581 -0.049,582 -0.022,583 0.003,584 -0.017,585 -0.091,586 -0.021,587 0.026,588 -0.036,589 -0.116,590 -0.137,591 0.106,592 -0.06,593 -0.087,594 0.119,595 -0.19,596 0.026,597 -0.093,598 -0.106,599 -0.165,600 -0.118,601 -0.066,602 -0.078,603 -0.105,604 -0.081,605 5.537,606 5.151,607 0.606,608 34.391,609 1.047,610 1.141,611 1.168,612 1.365,613 0.654,614 3.611,615 3.989,616 4.277,617 4.543,618 4.7,619 4.804,620 4.92,621 5.043,622 5.075,623 5.112,624 7.679,625 0.655,626 480.51,627 3.611,628 5.187,629 6.057,630 6.963,631 7.849,632 8.759,633 9.652,634 10.564,635 11.462,636 12.375,637 11.3,641 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,660 1,663 1,666 53,667 19,668 1,669 36,671 56,672 18,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 6,691 3,693 1,694 3,697 1,700 20,701 13,702 5,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,735 1,739 33,742 1,743 3,744 1,745 2,746 2,747 4,754 15.1,755 2,756 1,757 3,758 2,761 17.917,762 9.233,763 7.167,764 2.703,765 2.875,766 1.363,767 0.903,768 6.601,769 10.787,770 3.871,771 4.508,772 5.028,773 5.6,774 6.025,775 6.292,776 6.625,777 6.929,778 6.946,779 7.09,780 0.889,781 55,782 12.904,783 6.326,784 8.341,785 22.054,786 18.293,787 2.841,788 93.75,789 176.567,790 89.72,791 86.671,793 217.053,795 7.511,796 82.209,797 393.62,798 86.671,799 8.396,800 20.997,801 130.783,802 238.635,803 15.847,804 14.099,805 141.253,807 176.567,808 168.88,809 217.053,810 7.511,812 176.567,813 112.141,814 104.912,815 43.993,816 56.52,817 75.879,819 176.567,820 303.725,821 89.72,823 7.511,824 176.567,825 18.67,826 65.438,827 34.416,828 267.41,829 176.567,830 303.725,831 89.72,833 0.596,834 0.358,835 0.19,836 0.095,837 26,838 13,839 0.125,840 7,841 1,842 1.1,843 4.268,844 308.18,845 0.1,846 20,847 164.465,848 1,849 23.469,850 9.282,851 4.685,852 0.717,853 301.826,854 7.974,855 12.328,856 -0.242,857 1.375,858 162.466,859 570.011,860 47,862 -4.62,863 36.402,866 -1.108,867 55.491,868 60.491,869 0.338,870 0.762,871 0.909,872 0.958,873 0.971,874 0.971,875 5.147,876 1.622,877 6.098,878 5.167,879 4.673,880 5.196,881 2.341,882 6.987,883 4.563,884 6.392,885 1.544,886 7.718,887 4.825,888 4.511,889 5.316,891 8.176,892 4.388,893 7.75,894 1.414,895 9.443,896 3.704,897 6.389,898 7.508,899 2.873,900 11.226,901 6.193,902 9.148,903 1.05,904 11.227,905 3.07,906 7.022,907 8.441,909 13.174,910 6.808,911 10.58,912 1.041,913 13.047,914 2.99,915 8.426,916 10.185,917 3.593,918 15.795,919 8.155,920 12.035,921 0.901,922 14.89,923 2.615,924 9.377,925 11.446,927 18.019,928 9.078,929 13.507,930 0.699,931 16.749,932 2.003,933 10.621,934 13.039,935 4.417,936 20.505,937 10.275,938 3.306,939 0.335,940 18.619,941 1.686,942 11.699,943 14.437,945 22.839,946 11.318,947 3.233,948 11.645,949 20.497,950 0.549,951 12.889,952 15.975,953 5.291,954 25.281,955 12.466,956 3.01,957 11.104,958 22.381,959 4.586,960 14.019,961 17.432,963 27.663,964 13.558,965 2.882,966 10.21,967 24.271,968 4.489,969 15.192,970 18.95,971 6.188,972 30.091,973 14.691,974 2.43,975 9.48,976 26.164,977 3.899,978 16.344,979 20.435,981 32.497,982 15.805,983 1.956,984 8.144,985 28.061,986 3.343,987 17.513,988 21.946,989 7.095,990 34.923,991 16.936,992 1.901,993 6.086,994 29.96,995 2.94,996 18.676,997 23.443,999 37.34,1000 18.061,1001 14988,1002 28852,1003 23.175,1004 34.648,1005 54.864,1006 57.278,1007 57.803,1008 54.55,1009 54.646,1010 70.468,1011 8,1012 166.559,1013 51.489,1014 5.683,1015 6.473,1016 6.615,1017 5.362,1018 5.306,1019 7.586,1020 3.158,1021 19.367,1022 5.209,1023 20.015,1024 1.524,1025 1.591,1026 1.606,1027 1.515,1028 1.518,1029 1.957,1030 0.222,1031 4.627,1032 1.43,1033 4.112,1034 4.16,1035 4.709,1036 3.926,1037 7.725,1038 3.951,1039 3.987,1040 3.976,1041 4.083,1042 3.875,1043 7.428,1044 3.863,1045 3.855,1046 3.85,1047 3.856,1048 3.764,1049 6.999,1050 3.689,1051 3.756,1052 3.745,1053 3.714,1054 3.581,1055 6.495,1056 3.572,1057 3.415,1058 3.508,1059 3.312,1060 3.15,1061 6.468,1062 3.176,1063 3.225,1064 3.3,1065 3.172,1066 2.995,1067 6.4,1068 3.017,1069 3.182,1070 3.223,1071 3.049,1072 2.938,1073 5.157,1074 2.945,1075 3.077,1076 3.097,1077 2.968,1078 2.851,1079 4.626,1080 2.857,1081 0.131,1082 0.124,1083 0.193,1084 0.118,1085 0.092,1086 4.705,1087 0.127,1088 4.473,1089 0.044,1090 6.93,1091 0.323,1092 4.245,1093 0.089,1094 3.306,1095 4.586,1096 1.579,1097 11.645,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.015,1103 1.172,1104 2.006,1105 1.805,1106 1.759,1107 1.865,1108 2.005,1109 1.065,1110 1.975,1111 1.646,1112 1.676,1113 1.784,1114 1.858,1115 1.004,1116 1.869,1117 1.561,1118 1.535,1119 1.684,1120 1.817,1121 0.822,1122 1.79,1123 1.445,1124 1.423,1125 1.555,1126 1.685,1127 0.615,1128 1.686,1129 1.241,1130 1.139,1131 1.361,1132 1.542,1133 0.558,1134 1.554,1135 1.119,1136 1.067,1137 1.317,1138 1.415,1139 0.4,1140 1.389,1141 1.016,1142 1.01,1143 1.141,1144 1.26,1145 0.204,1146 1.229,1147 4.29,1149 5.652,1150 3.045,1151 7.2,1152 5.476,1153 8.828,1154 7.627,1155 10.498,1157 1.65,1162 30.472,1163 -0.707,1164 4.505,1165 10.372,1166 -5.369,1170 34.721,1171 102.573,1172 231.276,1173 276.07,1174 290.825,1175 294.825,1176 294.825,1177 95.828,1178 7.913,1179 198.02,1180 206.4,1181 22,1182 12.891,1183 4.322,1184 3.585,1185 54.537,1186 153,1187 141,1188 0.173,1189 214.306,1190 371.53,1191 514.668,1192 32279,1194 23.75,1195 0.72,1196 0.542,1197 24,1198 17.877,1199 15.714,1200 0.437,1201 0.305,1202 9.432,1203 13.956,1204 9.223,1205 7.553,1206 16.568,1207 10.988,1208 14.856,1209 0.28,1210 0.158,1211 16.165,1212 8.378,1213 12.524,1214 0.176,1215 0.082,1216 13.372,1217 5.843,1218 10.447,1219 0.112,1220 0.044,1221 11.298,1222 4.047,1223 7.666,1224 0.07,1225 0.024,1226 8.415,1227 2.622,1228 0.275,1229 110.639,1230 0.208,1231 30.795,1232 0.463,1233 178,1234 699.233,1235 244.69,1236 666.772,1237 882.19,1238 614,1239 213,1240 601.546,1241 292.094,1242 634.294,1243 938.5,1244 593,1245 8.796}
{0 CHEMBL518959,1 1.853,2 14.595,3 0.487,4 0.237,5 128.362,6 8.486,7 0.39,8 4.297,9 4.386,10 4.067,11 3.736,12 5.441,13 3.762,14 4.874,15 5.004,16 4.396,17 4.152,18 6.223,19 4.161,20 5.159,21 5.344,22 4.456,23 4.246,24 6.401,25 4.226,26 5.177,27 5.375,28 4.471,29 4.19,30 6.584,31 4.184,32 5.078,33 5.254,34 4.482,35 4.181,36 6.387,37 4.171,38 5.088,39 5.244,40 4.47,41 4.16,42 6.594,43 4.171,44 5.062,45 5.243,46 4.251,47 4.062,48 6.469,49 4.048,50 4.896,51 5.089,52 4.116,53 3.953,54 6.149,55 3.923,56 0.355,57 0.984,58 14.62,59 5.55,60 49.719,61 6.246,62 1.098,63 1.544,64 24.836,65 9.595,66 115.962,67 11.39,68 1.549,69 1.786,70 41.332,71 12.489,72 163.738,73 15.833,74 1.906,75 1.719,76 44.339,77 11.534,78 230.936,79 14.703,80 1.529,81 1.658,82 40.316,83 10.979,84 157.915,85 13.082,86 1.683,87 1.645,88 41.773,89 10.699,90 222.081,91 12.617,92 1.736,93 1.518,94 37.448,95 9.671,96 196.618,97 11.931,98 1.151,99 1.316,100 32.29,101 8.973,102 140.034,103 11.506,104 37,105 60,106 0.295,107 0.672,108 0.823,109 0.88,110 0.89,111 0.89,112 3.642,113 0.958,114 -3.3,115 -3.29,116 -3.15,119 34.9,121 4,125 1,127 4,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 7,159 7,160 1,163 5,165 5,166 7,168 3,169 1,171 4,172 1,173 5,175 2,177 6,178 7,181 5,182 1,183 3,187 3,188 8,190 4,192 1,197 1,198 12,201 8,202 1,211 5,212 8,215 4,216 2,224 3,227 2,228 1,229 1,234 6,235 5,238 5,240 4,246 2637,247 24.637,248 24.637,249 24.637,250 24.637,251 24.637,252 22.278,253 27.042,254 14.189,255 25.199,256 20.194,257 20.194,258 20.194,259 20.194,260 20.194,261 16.533,262 38.461,263 6.698,264 21.227,265 4.124,266 1.752,267 0.806,268 0.444,269 0.381,270 0.381,271 4.34,276 1182,277 4.301,280 293.156,281 250.367,282 163.833,284 2.394,285 73.631,286 0.5,287 0.67,288 0.67,289 0.8,290 0.5,291 0.5,292 0.5,293 0.59,294 85,295 540,296 4.705,297 4.473,298 6.932,299 4.246,300 3.308,301 4.587,302 1.579,303 11.653,304 3.209,305 4.65,306 3.587,307 6.764,308 4.21,309 3.233,310 4.489,311 1.041,312 11.104,313 3.049,314 4.278,315 3.552,316 6.553,317 3.961,318 3.021,319 3.899,320 0.98,321 10.241,322 2.86,323 4.152,324 3.167,325 6.341,326 3.872,327 2.882,328 3.352,329 0.4,330 9.48,331 2.82,332 3.751,333 2.77,334 5.963,335 3.551,336 2.598,337 2.958,339 8.307,340 2.482,341 3.443,342 2.676,343 5.445,344 3.267,345 2.32,346 2.592,347 7.029,348 2.181,349 3.357,350 2.475,351 5.191,352 2.928,353 1.944,354 2.483,355 5.933,356 1.908,357 3.057,358 2.239,359 4.869,360 2.83,361 1.887,362 2.322,363 5.165,364 1.761,365 3.029,366 1.973,367 4.805,368 2.508,369 1.61,370 2.105,371 4.8,372 1.438,373 2.861,374 1.549,375 4.228,376 2.447,377 1.543,378 2.015,379 3.706,380 1.393,381 2.738,382 1.543,383 4.073,384 2.392,385 1.414,386 1.766,387 3.07,388 1.377,389 2.55,390 1.469,391 3.894,392 2.156,393 1.19,394 1.512,395 3.032,396 1.145,397 2.423,398 1.34,399 3.605,400 2.051,401 1.047,402 1.398,403 2.615,404 1.045,405 2.249,406 1.311,407 3.469,408 1.944,409 1.036,410 1.236,411 2.571,412 0.936,413 2.038,414 1.166,415 3.439,416 1.662,417 0.758,418 0.943,419 1.841,420 0.682,421 16.9,422 0.457,423 1.112,424 0.03,425 45.5,426 1.23,427 19.5,428 0.527,429 26,430 0.703,431 34.99,432 0.946,433 42.5,434 0.675,435 41.057,436 1.11,437 8.56,438 0.231,439 9.172,440 0.248,441 0.118,442 0.049,443 0.349,447 0.836,448 1.573,449 0.763,450 1.358,451 0.821,452 0.971,453 0.737,454 1.1,455 0.833,456 1.035,457 0.606,458 1.023,459 0.897,460 1.182,461 0.919,462 1.099,463 0.812,464 1.042,465 1.016,466 0.869,467 0.903,468 0.818,469 0.943,470 0.829,471 1.073,472 1.05,473 1.064,474 1.029,475 1.082,476 0.917,477 1.1,478 1.151,479 1.277,480 1.239,481 1.072,482 1.043,483 1.233,484 0.91,485 1.202,486 0.931,487 1.249,488 1.066,489 1.116,490 1.037,491 1.044,492 1.056,493 1.059,494 1.051,495 8,496 0.349,497 5.111,498 3.646,499 2.211,500 1.524,501 1.045,502 0.624,503 0.463,504 0.423,505 22742,506 71110,507 2.077,508 41.3,509 4,510 10,511 1,512 2,513 5,515 4,518 1.779,519 1.922,520 3.791,521 2.377,524 116.74,525 1.853,526 4.225,527 5.172,528 5.533,529 5.596,530 5.596,531 3.273,532 4.831,533 5.179,534 4.01,535 2670.52,536 9.105,537 44178.4,539 376.569,540 1.599,541 5.125,542 0.195,543 0.009,544 0.085,545 0.062,546 0.038,547 0.027,548 0.018,549 0.014,550 0.012,551 0.01,552 0.468,553 0.17,554 0.63,555 0.566,556 205.302,557 -0.088,558 -0.268,559 0.161,560 -0.126,561 -0.156,562 0.028,563 0.162,564 0.064,565 -0.018,566 -0.031,567 0.139,568 -0.077,569 0.063,570 -0.185,571 0.046,572 -0.108,573 0.029,574 -0.054,575 0.073,576 0.095,577 0.111,578 0.112,579 0.11,580 0.115,581 -0.026,582 0.001,583 0.043,584 0.031,585 -0.073,586 0.038,587 0.033,588 -0.08,589 -0.139,590 -0.154,591 0.107,592 -0.113,593 -0.082,594 0.091,595 -0.229,596 -0.03,597 -0.062,598 -0.169,599 -0.119,600 -0.052,601 -0.055,602 -0.079,603 -0.061,604 -0.076,605 5.545,606 5.26,607 0.676,608 46.159,609 1.034,610 1.139,611 2.07,612 4.285,613 0.65,614 3.738,615 4.111,616 4.394,617 4.673,618 4.82,619 4.956,620 5.106,621 5.273,622 5.357,623 5.455,624 8.524,625 0.64,626 534.61,627 3.738,628 5.313,629 6.18,630 7.083,631 7.965,632 8.872,633 9.762,634 10.672,635 11.568,636 12.48,637 9.5,641 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,660 1,663 1,666 63,667 19,668 1,669 41,671 67,672 22,673 11,674 2,675 4,676 1,677 5,678 6,683 8,686 8,688 12,689 10,691 3,693 1,694 3,697 1,700 26,701 13,702 5,703 15,704 1,706 1,707 6,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,739 37,742 1,743 3,744 5,745 2,746 2,747 5,754 12.7,755 2,756 1,757 3,758 2,761 19.25,762 10.567,763 7.917,764 3.619,765 2.998,766 1.354,767 0.919,768 7.423,769 11.463,770 3.97,771 4.582,772 5.085,773 5.654,774 6.08,775 6.378,776 6.743,777 7.098,778 7.198,779 7.415,780 0.9,781 59,782 14.468,783 7.089,784 8.178,785 25.479,786 21.808,787 2.678,788 99.083,789 247.193,790 91.462,791 86.671,793 217.053,795 7.511,796 83.95,797 464.246,798 86.671,800 31.136,801 130.783,802 238.635,803 15.847,804 14.099,805 211.88,807 247.193,808 170.622,809 217.053,810 7.511,812 200.109,813 159.226,814 104.912,815 54.131,816 48.123,817 75.879,819 247.193,820 303.725,821 91.462,823 7.511,824 247.193,825 28.808,826 57.041,827 34.416,828 267.41,829 247.193,830 303.725,831 91.462,833 0.595,834 0.35,835 0.188,836 0.091,837 30,838 14,839 0.119,840 8,841 1,842 1.08,843 4.69,844 364.577,845 0.08,846 25,847 186.75,848 1,849 25.94,850 10.588,851 5.464,852 0.824,853 301.826,854 8.136,855 12.871,856 -0.124,857 1.43,858 162.466,859 642.379,860 52,862 -4.629,863 36.704,866 -1.101,867 65.142,868 71.737,869 0.31,870 0.707,871 0.865,872 0.926,873 0.936,874 0.936,875 5.252,876 1.887,877 6.209,878 5.933,879 4.796,880 5.27,881 2.341,882 7.081,883 4.696,884 6.477,885 1.61,886 7.813,887 5.165,888 4.575,889 5.345,891 8.22,892 4.453,893 7.823,894 1.543,895 9.523,896 4.8,897 6.488,898 7.541,899 2.873,900 11.279,901 6.303,902 9.209,903 1.414,904 11.294,905 3.706,906 7.083,907 8.456,909 13.203,910 6.872,911 10.631,912 1.19,913 13.104,914 3.07,915 8.499,916 10.199,917 3.593,918 15.825,919 8.236,920 12.077,921 1.047,922 14.938,923 3.032,924 9.427,925 11.453,927 18.038,928 9.132,929 13.542,930 1.036,931 16.789,932 2.615,933 10.673,934 13.045,935 4.417,936 20.524,937 10.332,938 3.308,939 0.758,940 18.653,941 2.571,942 11.739,943 14.441,945 22.854,946 11.36,947 3.233,948 11.653,949 20.526,950 1.841,951 12.927,952 15.978,953 5.291,954 25.295,955 12.506,956 3.021,957 11.104,958 22.406,959 4.587,960 14.05,961 17.435,963 27.675,964 13.59,965 2.882,966 10.241,967 24.292,968 4.489,969 15.221,970 18.952,971 6.188,972 30.103,973 14.721,974 2.598,975 9.48,976 26.182,977 3.899,978 16.369,979 20.436,981 32.508,982 15.83,983 2.32,984 8.307,985 28.077,986 3.352,987 17.536,988 21.947,989 7.095,990 34.934,991 16.959,992 1.944,993 7.029,994 29.974,995 2.958,996 18.697,997 23.445,999 37.351,1000 18.081,1001 21274,1002 37958,1003 27.046,1004 40.932,1005 62.218,1006 64.818,1007 64.228,1008 62.217,1009 62.197,1010 78.004,1011 8,1012 187.204,1013 58.985,1014 5.683,1015 6.473,1016 6.617,1017 5.362,1018 5.308,1019 7.587,1020 3.158,1021 19.382,1022 5.209,1023 19.937,1024 1.518,1025 1.581,1026 1.567,1027 1.517,1028 1.517,1029 1.903,1030 0.195,1031 4.566,1032 1.439,1033 4.119,1034 4.168,1035 4.71,1036 3.936,1037 7.725,1038 3.961,1039 3.987,1040 3.976,1041 4.088,1042 3.877,1043 7.428,1044 3.863,1045 3.87,1046 3.919,1047 3.856,1048 3.765,1049 6.999,1050 3.722,1051 3.84,1052 3.842,1053 3.742,1054 3.726,1055 6.495,1056 3.683,1057 3.746,1058 3.738,1059 3.682,1060 3.575,1061 6.468,1062 3.567,1063 3.329,1064 3.405,1065 3.255,1066 3.088,1067 6.4,1068 3.118,1069 3.205,1070 3.228,1071 3.171,1072 2.985,1073 5.155,1074 3.008,1075 3.077,1076 3.136,1077 2.969,1078 2.855,1079 4.624,1080 2.857,1081 0.115,1082 0.109,1083 0.169,1084 0.104,1085 0.081,1086 4.705,1087 0.112,1088 4.473,1089 0.039,1090 6.932,1091 0.284,1092 4.246,1093 0.078,1094 3.308,1095 4.587,1096 1.579,1097 11.653,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.02,1103 1.216,1104 2.006,1105 1.815,1106 1.768,1107 1.896,1108 2.005,1109 1.211,1110 1.982,1111 1.648,1112 1.676,1113 1.86,1114 1.859,1115 1.171,1116 1.869,1117 1.599,1118 1.557,1119 1.802,1120 1.836,1121 1.065,1122 1.819,1123 1.577,1124 1.507,1125 1.751,1126 1.751,1127 0.996,1128 1.793,1129 1.512,1130 1.481,1131 1.627,1132 1.711,1133 0.765,1134 1.719,1135 1.432,1136 1.4,1137 1.363,1138 1.67,1139 0.57,1140 1.664,1141 1.125,1142 1.077,1143 1.318,1144 1.421,1145 0.411,1146 1.393,1147 4.419,1149 5.778,1150 3.434,1151 7.313,1152 5.778,1153 8.928,1154 7.854,1155 10.587,1162 30.844,1163 3.63,1164 5.042,1165 10.529,1166 -5.072,1170 40.302,1171 116.74,1172 266.191,1173 325.814,1174 348.569,1175 352.569,1176 352.569,1177 102.372,1178 8.465,1179 198.02,1180 206.4,1181 27,1182 12.997,1183 4.322,1184 3.585,1185 56.943,1186 191,1187 177,1188 0.144,1189 245.282,1190 428.37,1191 590.249,1192 66565,1194 26.156,1195 0.707,1196 0.548,1197 26.406,1198 20.283,1199 17.732,1200 0.432,1201 0.319,1202 11.544,1203 15.993,1204 11.352,1205 9.269,1206 18.586,1207 13.093,1208 16.834,1209 0.281,1210 0.171,1211 18.143,1212 10.253,1213 14.11,1214 0.176,1215 0.091,1216 14.958,1217 7.302,1218 11.907,1219 0.112,1220 0.049,1221 12.758,1222 5.233,1223 8.569,1224 0.07,1225 0.025,1226 9.317,1227 3.105,1228 0.231,1229 122.596,1230 0.192,1231 34.004,1232 0.383,1233 202,1234 723.233,1235 269.356,1236 691.372,1237 920.53,1238 638,1239 241,1240 634.109,1241 320.76,1242 666.383,1243 987.88,1244 625,1245 5.026}
{0 CHEMBL519775,1 1.857,2 15.897,3 0.668,4 0.446,5 136.562,6 8.835,7 0.512,8 4.298,9 4.381,10 4.098,11 3.766,12 5.502,13 3.796,14 4.832,15 4.946,16 4.414,17 4.151,18 6.245,19 4.171,20 5.088,21 5.239,22 4.494,23 4.255,24 6.403,25 4.253,26 5.16,27 5.336,28 4.49,29 4.215,30 6.601,31 4.212,32 5.099,33 5.282,34 4.482,35 4.192,36 6.407,37 4.176,38 5.067,39 5.224,40 4.483,41 4.15,42 6.597,43 4.169,44 5.012,45 5.169,46 4.337,47 4.092,48 6.485,49 4.103,50 4.926,51 5.101,52 4.232,53 4.049,54 6.231,55 4.035,56 0.362,57 0.986,58 13.165,59 5.559,60 49.042,61 5.603,62 1.077,63 1.521,64 21.27,65 9.067,66 107.242,67 9.711,68 1.436,69 1.783,70 34.475,71 12.276,72 152.675,73 13.744,74 1.847,75 1.815,76 39.713,77 11.881,78 226.236,79 13.54,80 1.58,81 1.735,82 40.726,83 11.827,84 166.242,85 13.277,86 1.691,87 1.666,88 40.757,89 11.119,90 225.537,91 11.969,92 1.647,93 1.566,94 32.928,95 9.841,96 195.717,97 10.568,98 1.169,99 1.492,100 30.259,101 9.428,102 140.712,103 10.927,104 37,105 62,106 0.293,107 0.665,108 0.8,109 0.879,110 0.908,111 0.908,112 3.693,113 0.914,114 -3.51,115 -3.49,116 -3.33,119 38.1,125 2,127 3,128 1,134 9,135 2,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 10,159 7,160 1,163 5,165 4,166 10,168 3,169 1,171 4,172 1,173 5,175 5,177 6,178 6,181 5,182 1,183 5,187 3,188 7,190 4,192 2,197 1,198 12,201 8,202 1,211 5,212 11,215 4,216 2,224 7,227 2,228 1,229 1,234 6,235 7,238 5,240 3,246 3230,247 26.051,248 26.051,249 26.051,250 26.051,251 26.051,252 22.941,253 27.268,254 15.134,255 26.612,256 21.178,257 21.178,258 21.178,259 21.178,260 21.178,261 16.463,262 36.809,263 7.148,264 22.198,265 4.12,266 1.759,267 0.903,268 0.407,269 0.222,270 0.222,271 4.392,276 1347,277 4.416,280 205.252,281 397.211,282 175.032,284 2.675,285 73.3,286 0.5,287 0.67,288 0.5,289 0.6,291 0.5,292 0.5,293 0.47,294 89,295 620,296 4.705,297 4.473,298 6.931,299 4.246,300 3.307,301 4.587,302 1.579,303 11.648,304 3.209,305 4.648,306 3.586,307 6.764,308 4.209,309 3.233,310 4.489,311 1.041,312 11.104,313 3.047,314 4.278,315 3.552,316 6.549,317 3.953,318 3.013,319 3.899,320 0.98,321 10.221,322 2.859,323 4.149,324 3.157,325 6.341,326 3.872,327 2.882,328 3.452,329 0.657,330 9.48,331 2.813,332 3.901,333 2.787,334 5.945,335 3.527,336 2.547,337 3.336,339 8.187,340 2.506,341 3.689,342 2.677,343 5.368,344 3.334,345 2.396,346 2.941,347 6.971,348 2.228,349 3.357,350 2.589,351 5.274,352 2.931,353 1.957,354 2.592,355 6.109,356 1.909,357 3.082,358 2.252,359 4.873,360 2.855,361 1.902,362 2.325,363 5.168,364 1.784,365 3.04,366 2.044,367 4.825,368 2.553,369 1.638,370 2.162,371 4.853,372 1.514,373 2.917,374 1.609,375 4.256,376 2.459,377 1.545,378 2.067,379 3.724,380 1.415,381 2.861,382 1.548,383 4.074,384 2.44,385 1.482,386 2.015,387 3.204,388 1.389,389 2.741,390 1.543,391 3.894,392 2.392,393 1.414,394 1.769,395 3.07,396 1.377,397 2.55,398 1.469,399 3.64,400 2.051,401 1.05,402 1.512,403 2.971,404 1.046,405 2.5,406 1.311,407 3.605,408 2,409 1.041,410 1.5,411 2.615,412 1,413 2.424,414 1.281,415 3.439,416 1.948,417 1,418 1.398,419 2.148,420 0.939,421 17.9,422 0.459,423 1.112,424 0.029,425 52.5,426 1.346,427 25.5,428 0.654,429 27,430 0.692,431 32.974,432 0.845,433 43.3,434 0.687,435 48.182,436 1.235,437 10.558,438 0.271,439 8.174,440 0.21,441 0.112,442 0.047,443 0.33,447 0.846,448 1.472,449 0.749,450 1.281,451 0.847,452 0.907,453 0.788,454 1.005,455 0.852,456 0.966,457 0.664,458 0.964,459 0.949,460 1.213,461 0.965,462 1.144,463 0.9,464 1.08,465 1.057,466 0.965,467 1.013,468 0.932,469 0.994,470 0.975,471 1.051,472 0.998,473 1.066,474 1,475 1.061,476 0.909,477 1.104,478 1.049,479 1.243,480 1.144,481 1.084,482 0.931,483 1.253,484 0.928,485 1.158,486 0.897,487 1.315,488 0.989,489 1.136,490 1.106,491 1.069,492 1.048,493 1.071,494 1.06,495 8,496 0.373,497 5.333,498 3.486,499 2.247,500 1.667,501 1.004,502 0.669,503 0.544,504 0.388,505 26679,506 88250,507 2.073,508 38.1,510 16,511 1,512 2,513 5,518 1.792,519 1.926,520 3.902,521 2.314,524 116.981,525 1.857,526 4.218,527 5.074,528 5.571,529 5.755,530 5.755,531 3.401,532 5.029,533 5.253,534 4.119,535 3051.85,536 9.253,537 53195.6,539 376.569,540 1.568,541 5.205,542 0.186,543 0.008,544 0.086,545 0.055,546 0.038,547 0.029,548 0.017,549 0.013,550 0.012,551 0.008,552 0.453,553 0.17,554 0.63,555 0.551,556 220.896,557 -0.094,558 -0.241,559 0.152,560 -0.12,561 -0.188,562 0.029,563 0.143,564 0.132,565 -0.054,566 -0.001,567 0.101,568 -0.074,569 0.048,570 -0.207,571 -0.011,572 -0.14,573 -0.012,574 -0.112,575 0.046,576 0.021,577 -0.003,578 0.008,579 0.08,580 -0.037,581 -0.007,582 0.008,583 0.073,584 0.045,585 -0.058,586 0.067,587 0.055,588 -0.02,589 -0.065,590 -0.066,591 0.126,592 0.008,593 -0.068,594 0.081,595 -0.187,596 0.026,597 -0.073,598 -0.095,599 -0.15,600 -0.098,601 -0.098,602 -0.082,603 -0.093,604 -0.101,605 5.563,606 5.282,607 0.667,608 54.446,609 1.036,610 1.132,611 2.282,612 5.209,613 0.669,614 3.784,615 4.143,616 4.419,617 4.682,618 4.86,619 4.956,620 5.1,621 5.263,622 5.361,623 5.464,624 9.108,625 0.663,626 556.61,627 3.784,628 5.352,629 6.213,630 7.107,631 7.984,632 8.885,633 9.77,634 10.675,635 11.567,636 12.474,637 9.5,641 1,643 1,644 1,646 3,650 2,651 11,652 3,653 4,654 1,655 22,660 1,663 1,666 63,667 25,668 2,669 43,671 67,672 24,673 17,674 3,675 9,676 1,677 5,678 6,683 3,686 3,688 18,689 6,691 3,693 1,694 3,697 1,700 24,701 13,702 5,703 15,704 1,706 1,707 6,711 0.8,712 8,714 2,715 1,717 1,721 2,722 3,730 2,731 1,732 4,733 1,739 39,742 1,743 3,744 2,745 2,746 2,747 4,754 12.7,755 2,756 1,757 3,758 2,761 20.25,762 10.65,763 8.417,764 3.314,765 3.946,766 1.458,767 0.931,768 7.879,769 12.562,770 4.06,771 4.684,772 5.201,773 5.762,774 6.207,775 6.429,776 6.796,777 7.166,778 7.353,779 7.652,780 0.909,781 63,782 15.163,783 7.33,784 8.19,785 26.474,786 22.09,787 2.69,788 104.917,789 223.651,790 133.996,791 86.671,793 217.053,795 7.511,796 126.485,797 440.704,798 86.671,800 23.103,801 178.164,802 238.635,803 19.033,804 14.099,805 188.338,807 223.651,808 213.156,809 217.053,810 7.511,812 223.651,813 112.141,814 104.912,815 46.099,816 98.69,817 75.879,819 223.651,820 303.725,821 133.996,823 7.511,824 223.651,825 23.961,826 104.423,827 34.416,828 267.41,829 223.651,830 303.725,831 133.996,833 0.591,834 0.347,835 0.184,836 0.094,837 30,838 14,839 0.134,840 9,841 1,842 1.077,843 4.882,844 385.897,845 0.077,846 26,847 200.131,848 1,849 27.113,850 11.334,851 5.926,852 0.703,853 301.826,854 17.682,855 12.773,856 0.78,857 1.396,858 162.466,859 661.372,860 57,862 -4.646,863 36.767,866 -1.111,867 65.258,868 71.322,869 0.311,870 0.706,871 0.849,872 0.932,873 0.963,874 0.963,875 5.321,876 1.902,877 6.232,878 6.109,879 4.828,880 5.373,881 2.392,882 7.093,883 4.734,884 6.55,885 1.638,886 7.829,887 5.168,888 4.575,889 5.38,891 8.22,892 4.46,893 7.89,894 1.545,895 9.533,896 4.853,897 6.506,898 7.647,899 2.891,900 11.276,901 6.33,902 9.271,903 1.482,904 11.3,905 3.724,906 7.074,907 8.492,909 13.198,910 6.871,911 10.687,912 1.414,913 13.106,914 3.204,915 8.506,916 10.279,917 3.597,918 15.818,919 8.253,920 12.127,921 1.05,922 14.938,923 3.07,924 9.418,925 11.484,927 18.032,928 9.13,929 13.587,930 1.041,931 16.787,932 2.971,933 10.673,934 13.097,935 4.418,936 20.517,937 10.341,938 3.307,939 1,940 18.65,941 2.615,942 11.73,943 14.464,945 22.847,946 11.359,947 3.233,948 11.648,949 20.522,950 2.148,951 12.922,952 16.009,953 5.291,954 25.288,955 12.51,956 3.013,957 11.104,958 22.402,959 4.587,960 14.041,961 17.45,963 27.668,964 13.588,965 2.882,966 10.221,967 24.288,968 4.489,969 15.213,970 18.97,971 6.188,972 30.096,973 14.721,974 2.547,975 9.48,976 26.178,977 3.899,978 16.359,979 20.446,981 32.501,982 15.827,983 2.396,984 8.187,985 28.072,986 3.452,987 17.528,988 21.957,989 7.095,990 34.927,991 16.956,992 1.957,993 6.971,994 29.97,995 3.336,996 18.687,997 23.451,999 37.344,1000 18.077,1001 25041,1002 45844,1003 28.433,1004 42.17,1005 65.387,1006 67.676,1007 67.197,1008 64.946,1009 64.99,1010 84.985,1011 8.515,1012 192.865,1013 61.795,1014 5.683,1015 6.473,1016 6.733,1017 5.362,1018 5.307,1019 7.587,1020 3.158,1021 19.372,1022 5.209,1023 20.759,1024 1.521,1025 1.574,1026 1.563,1027 1.51,1028 1.511,1029 1.976,1030 0.198,1031 4.485,1032 1.437,1033 4.118,1034 4.165,1035 4.71,1036 3.94,1037 7.725,1038 3.962,1039 3.987,1040 3.977,1041 4.087,1042 3.878,1043 7.428,1044 3.864,1045 3.903,1046 3.936,1047 3.858,1048 3.83,1049 6.999,1050 3.827,1051 3.852,1052 3.847,1053 3.826,1054 3.763,1055 6.495,1056 3.689,1057 3.753,1058 3.742,1059 3.711,1060 3.58,1061 6.468,1062 3.571,1063 3.384,1064 3.462,1065 3.301,1066 3.154,1067 6.4,1068 3.176,1069 3.221,1070 3.283,1071 3.172,1072 3.01,1073 5.156,1074 3.027,1075 3.181,1076 3.223,1077 3.076,1078 2.971,1079 4.755,1080 2.986,1081 0.109,1082 0.104,1083 0.161,1084 0.099,1085 0.077,1086 4.705,1087 0.107,1088 4.473,1089 0.037,1090 6.931,1091 0.271,1092 4.246,1093 0.075,1094 3.307,1095 4.587,1096 1.579,1097 11.648,1098 3.209,1099 1.916,1100 1.884,1101 2.043,1102 2.04,1103 1.174,1104 2.032,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.154,1110 2.006,1111 1.791,1112 1.747,1113 1.846,1114 1.963,1115 1.065,1116 1.945,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 0.999,1122 1.869,1123 1.556,1124 1.533,1125 1.658,1126 1.801,1127 0.808,1128 1.775,1129 1.443,1130 1.421,1131 1.474,1132 1.683,1133 0.629,1134 1.68,1135 1.222,1136 1.151,1137 1.36,1138 1.468,1139 0.563,1140 1.472,1141 1.12,1142 1.072,1143 1.316,1144 1.407,1145 0.403,1146 1.386,1147 4.466,1149 5.814,1150 3.045,1151 7.347,1152 5.476,1153 8.96,1154 7.627,1155 10.615,1162 30.898,1163 -0.237,1164 4.856,1165 10.524,1166 -5.468,1170 41.775,1171 116.981,1172 265.721,1173 319.675,1174 350.959,1175 362.569,1176 362.569,1177 105.501,1178 8.616,1179 198.02,1180 206.4,1181 28,1182 12.994,1183 4.7,1184 3.907,1185 61.688,1186 212,1187 220,1188 0.139,1189 255.685,1190 444.15,1191 615.631,1192 82846,1194 27.57,1195 0.707,1196 0.538,1197 27.82,1198 20.971,1199 18.732,1200 0.436,1201 0.305,1202 11.555,1203 16.99,1204 11.333,1205 9.282,1206 19.586,1207 13.105,1208 17.529,1209 0.283,1210 0.161,1211 18.838,1212 9.967,1213 14.67,1214 0.179,1215 0.084,1216 15.518,1217 6.909,1218 12.224,1219 0.114,1220 0.045,1221 13.075,1222 4.775,1223 9.235,1224 0.072,1225 0.025,1226 9.984,1227 3.147,1228 0.223,1229 128.642,1230 0.188,1231 35.666,1232 0.366,1233 210,1234 763.233,1235 277.023,1236 734.06,1237 978.28,1238 678,1239 249,1240 673.828,1241 328.594,1242 709.743,1243 1047.13,1244 665,1245 5.083}
{0 CHEMBL608838,1 1.983,2 15.902,3 -0.907,4 0.822,5 135.751,6 9.542,7 0.467,8 4.316,9 4.397,10 4.16,11 3.696,12 5.611,13 3.772,14 4.84,15 4.947,16 4.501,17 4.076,18 6.345,19 4.151,20 5.045,21 5.174,22 4.585,23 4.172,24 6.509,25 4.234,26 5.145,27 5.293,28 4.609,29 4.166,30 6.718,31 4.225,32 5.075,33 5.237,34 4.57,35 4.157,36 6.465,37 4.189,38 5.097,39 5.247,40 4.588,41 4.123,42 6.709,43 4.187,44 5.044,45 5.192,46 4.437,47 4.059,48 6.576,49 4.116,50 4.959,51 5.115,52 4.383,53 4.019,54 6.436,55 4.064,56 0.555,57 0.999,58 10.939,59 4.867,60 72.801,61 4.433,62 1.419,63 1.481,64 19.188,65 8,66 140.109,67 7.907,68 1.78,69 1.651,70 28.308,71 9.934,72 194.391,73 10.238,74 2.256,75 1.671,76 34.016,77 10.037,78 282.891,79 10.378,80 1.835,81 1.644,82 34.517,83 9.953,84 200.301,85 10.484,86 2.035,87 1.595,88 38.253,89 9.65,90 268.653,91 10.193,92 1.993,93 1.476,94 30.567,95 8.867,96 243.688,97 9.14,98 1.63,99 1.404,100 27.23,101 8.116,102 202.583,103 8.954,104 84,105 67,106 0.313,107 0.744,108 0.865,109 0.903,110 0.913,111 0.913,112 3.741,113 0.861,114 -2.52,115 -2.54,116 -2.49,119 33.9,124 1,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 2,149 1,150 1,152 1,153 1,154 1,155 2,157 4,159 11,160 1,162 1,163 5,165 3,166 4,168 7,169 1,170 1,171 4,172 1,173 3,175 2,177 13,178 5,180 3,181 6,182 1,183 3,187 5,188 4,189 1,190 5,192 1,197 8,198 6,200 2,201 9,202 1,211 7,212 4,215 5,216 2,219 1,223 3,224 1,226 2,227 6,228 1,229 1,231 1,234 9,235 3,237 1,238 7,240 2,246 3652,247 26.955,248 26.955,249 26.955,250 26.955,251 26.955,252 23.949,253 30.307,254 15.181,255 27.723,256 22.044,257 22.044,258 22.044,259 22.044,260 22.044,261 17.24,262 33.059,263 7.061,264 23.294,265 3.971,266 1.243,267 0.476,268 0.238,269 0.173,270 0.173,271 4.434,276 1404,277 4.743,280 339.639,281 280.644,282 185.356,284 2.548,285 89.866,286 0.25,287 0.5,288 0.33,289 0.1,291 0.33,292 0.5,293 0.29,294 96.5,295 652,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.674,303 11.665,304 3.209,305 4.678,306 3.655,307 6.764,308 4.217,309 3.235,310 4.489,311 1.579,312 11.105,313 3.06,314 4.313,315 3.588,316 6.557,317 3.999,318 3.063,319 3.943,320 1.041,321 10.253,322 2.867,323 4.278,324 3.552,325 6.341,326 3.876,327 2.899,328 3.899,329 0.98,330 9.481,331 2.845,332 4.141,333 3.2,334 6.228,335 3.85,336 2.879,337 3.38,339 9.315,340 2.762,341 3.856,342 2.874,343 5.933,344 3.478,345 2.54,346 3.171,347 8.199,348 2.37,349 3.634,350 2.677,351 5.836,352 3.278,353 2.345,354 2.907,355 7.799,356 2.179,357 3.357,358 2.568,359 5.246,360 2.928,361 1.942,362 2.592,363 5.917,364 1.908,365 3.157,366 2.244,367 4.868,368 2.82,369 1.882,370 2.398,371 5.163,372 1.747,373 3.042,374 2.014,375 4.794,376 2.624,377 1.687,378 2.12,379 4.751,380 1.568,381 2.861,382 1.967,383 4.554,384 2.477,385 1.586,386 2.015,387 4.596,388 1.405,389 2.747,390 1.543,391 4.146,392 2.392,393 1.414,394 1.787,395 3.076,396 1.377,397 2.611,398 1.469,399 3.964,400 2.104,401 1.194,402 1.626,403 3.069,404 1.08,405 2.55,406 1.461,407 3.894,408 2.051,409 1.046,410 1.511,411 2.896,412 1.045,413 2.378,414 1.319,415 3.618,416 1.917,417 1.006,418 1.322,419 2.615,420 0.91,421 18.267,422 0.446,423 1.359,424 0.033,425 54.25,426 1.323,427 25,428 0.61,429 29.25,430 0.713,431 35.664,432 0.87,433 46.533,434 0.751,435 54.332,436 1.325,437 11.052,438 0.27,439 8.433,440 0.206,441 0.177,442 0.046,443 0.4,447 0.892,448 1.533,449 0.722,450 1.368,451 0.864,452 0.905,453 0.834,454 1.011,455 0.769,456 0.908,457 0.662,458 0.845,459 0.989,460 1.247,461 0.956,462 1.168,463 0.924,464 1.053,465 1.083,466 0.921,467 1.029,468 0.91,469 1.106,470 0.963,471 1.022,472 1.086,473 1.098,474 1.082,475 1.009,476 0.967,477 0.984,478 0.994,479 1.244,480 1.158,481 0.988,482 0.958,483 1.183,484 0.965,485 1.141,486 0.949,487 1.207,488 1.027,489 1.074,490 1.033,491 1.058,492 1.044,493 1.065,494 1.063,495 10,496 0.442,497 6.444,498 3.861,499 2.987,500 1.976,501 1.213,502 0.866,503 0.727,504 0.503,505 28834,506 113268,507 2.026,508 33.9,510 12,511 2,512 1,513 6,518 1.805,519 1.843,520 3.908,521 3.147,524 122.934,525 1.983,526 4.711,527 5.478,528 5.716,529 5.781,530 5.781,531 3.403,532 5.26,533 5.326,534 4.112,535 3371.9,536 9.406,537 59984,539 369.16,540 1.671,541 5.255,542 0.222,543 0.009,544 0.096,545 0.056,546 0.045,547 0.031,548 0.018,549 0.015,550 0.013,551 0.009,552 0.516,553 0.17,554 0.63,555 0.872,556 234.457,557 -0.144,558 -0.238,559 0.132,560 -0.166,561 -0.205,562 0.015,563 0.089,564 0.128,565 0.015,566 0.079,567 0.093,568 0.043,569 -0.024,570 -0.195,571 -0.028,572 -0.141,573 -0.034,574 -0.1,575 -0.017,576 0.061,577 -0.043,578 0.041,579 -0.011,580 -0.038,581 -0.082,582 -0.053,583 0.012,584 -0.005,585 -0.096,586 0.021,587 0.043,588 0.035,589 -0.096,590 -0.076,591 0.092,592 -0.011,593 -0.119,594 0.012,595 -0.18,596 -0.012,597 -0.103,598 -0.102,599 -0.103,600 -0.025,601 -0.101,602 -0.077,603 -0.077,604 -0.106,605 5.633,606 5.304,607 0.61,608 55.204,609 1.058,610 1.145,611 1.288,612 1.66,613 0.658,614 3.829,615 4.22,616 4.511,617 4.779,618 4.963,619 5.142,620 5.288,621 5.468,622 5.606,623 5.727,624 9.093,625 0.672,626 591.58,627 3.829,628 5.416,629 6.29,630 7.198,631 8.089,632 9.001,633 9.899,634 10.814,635 11.717,636 12.634,637 14.5,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,658 1,659 1,663 1,666 62,667 25,668 1,669 45,671 66,672 21,673 13,674 2,675 4,676 2,677 5,678 6,683 3,686 3,688 15,689 6,691 4,693 1,694 4,697 2,700 21,701 17,702 6,703 20,704 1,706 1,707 9,711 0.8,712 10,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 41,740 1,742 1,743 3,744 1,745 1,746 3,747 4,751 1,754 16.1,755 2,756 1,757 4,758 2,759 1,761 22.25,762 11,763 8.806,764 3.083,765 3.782,766 1.428,767 0.916,768 7.906,769 12.609,770 4.103,771 4.754,772 5.303,773 5.888,774 6.343,775 6.764,776 7.187,777 7.643,778 7.991,779 8.348,780 0.909,781 69,782 15.95,783 7.826,784 8.396,785 27.02,786 22.29,787 2.896,788 118.75,789 176.567,790 104.483,791 136.538,793 253.198,795 7.511,796 96.971,797 429.765,798 136.538,799 10.883,800 20.997,801 172.728,802 274.393,803 22.762,804 27.769,805 141.253,807 176.567,808 233.509,809 253.198,810 7.511,812 176.567,813 148.286,814 104.912,815 41.807,816 108.142,817 91.071,819 176.567,820 389.736,821 104.483,823 7.511,824 176.567,825 30.517,826 70.13,827 16.405,828 369.655,829 176.567,830 389.736,831 104.483,833 0.601,834 0.358,835 0.184,836 0.093,837 33,838 17,839 0.136,840 9,841 1,842 1.08,843 4.88,844 422.191,845 0.08,846 25,847 217.66,848 1,849 28.776,850 11.265,851 5.72,852 0.129,853 386.06,854 7.65,855 19.913,856 -1.117,857 2.266,858 177.352,859 670.785,860 59.5,862 -4.716,863 48.53,866 -1.905,867 65.567,868 70.99,869 0.333,870 0.791,871 0.92,872 0.96,873 0.971,874 0.971,875 5.386,876 1.942,877 6.333,878 7.799,879 4.905,880 5.442,881 2.753,882 7.219,883 4.797,884 6.637,885 1.882,886 7.952,887 5.917,888 4.745,889 5.545,891 8.36,892 4.614,893 7.994,894 1.687,895 9.671,896 5.163,897 6.616,898 7.746,899 3.507,900 11.416,901 6.417,902 9.388,903 1.586,904 11.446,905 4.751,906 7.238,907 8.653,909 13.317,910 7.012,911 10.815,912 1.414,913 13.254,914 4.596,915 8.634,916 10.393,917 4.387,918 15.935,919 8.353,920 12.262,921 1.194,922 15.086,923 3.076,924 9.57,925 11.631,927 18.128,928 9.255,929 13.726,930 1.046,931 16.932,932 3.069,933 10.806,934 13.215,935 5.33,936 20.607,937 10.444,938 3.319,939 1.006,940 18.79,941 2.896,942 11.871,943 14.597,945 22.922,946 11.471,947 3.235,948 11.665,949 20.657,950 2.615,951 13.054,952 16.127,953 6.301,954 25.356,955 12.609,956 3.063,957 11.105,958 22.53,959 4.625,960 14.173,961 17.574,963 27.726,964 13.689,965 2.899,966 10.253,967 24.409,968 4.489,969 15.34,970 19.086,971 7.285,972 30.148,973 14.814,974 2.879,975 9.481,976 26.292,977 3.943,978 16.485,979 20.565,981 32.547,982 15.918,983 2.54,984 9.315,985 28.18,986 3.899,987 17.649,988 22.072,989 8.276,990 34.969,991 17.042,992 2.345,993 8.199,994 30.071,995 3.38,996 18.807,997 23.568,999 37.382,1000 18.16,1001 27422,1002 54567,1003 28.956,1004 40.812,1005 69.418,1006 72.855,1007 72.774,1008 68.684,1009 68.702,1010 89.421,1011 10.549,1012 211.046,1013 64.85,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.349,1021 19.383,1022 5.209,1023 26.656,1024 1.543,1025 1.619,1026 1.617,1027 1.526,1028 1.527,1029 1.987,1030 0.234,1031 4.69,1032 1.441,1033 4.133,1034 4.184,1035 4.71,1036 3.936,1037 7.725,1038 3.967,1039 3.989,1040 3.977,1041 4.111,1042 3.878,1043 7.434,1044 3.864,1045 3.887,1046 3.937,1047 3.861,1048 3.764,1049 7.427,1050 3.703,1051 3.841,1052 3.836,1053 3.851,1054 3.634,1055 6.999,1056 3.66,1057 3.74,1058 3.735,1059 3.7,1060 3.558,1061 6.495,1062 3.561,1063 3.398,1064 3.438,1065 3.338,1066 3.1,1067 6.468,1068 3.146,1069 3.278,1070 3.353,1071 3.185,1072 3.003,1073 6.4,1074 3.034,1075 3.198,1076 3.224,1077 3.163,1078 2.965,1079 5.285,1080 2.987,1081 0.105,1082 0.099,1083 0.154,1084 0.094,1085 0.074,1086 4.705,1087 0.103,1088 4.473,1089 0.037,1090 6.935,1091 0.259,1092 4.251,1093 0.071,1094 3.319,1095 4.625,1096 1.674,1097 11.665,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.038,1103 1.172,1104 2.006,1105 1.816,1106 1.77,1107 1.85,1108 2.005,1109 1.065,1110 1.986,1111 1.646,1112 1.676,1113 1.779,1114 1.858,1115 1.001,1116 1.869,1117 1.563,1118 1.539,1119 1.661,1120 1.817,1121 0.791,1122 1.785,1123 1.501,1124 1.485,1125 1.632,1126 1.743,1127 0.636,1128 1.7,1129 1.441,1130 1.418,1131 1.489,1132 1.683,1133 0.571,1134 1.679,1135 1.229,1136 1.159,1137 1.364,1138 1.568,1139 0.545,1140 1.523,1141 1.12,1142 1.069,1143 1.317,1144 1.413,1145 0.406,1146 1.4,1147 4.511,1149 5.883,1150 3.434,1151 7.431,1152 5.82,1153 9.056,1154 7.934,1155 10.724,1157 1.169,1161 6.005,1162 30.954,1163 -0.803,1164 1.63,1165 15.031,1166 -5.985,1170 41.688,1171 122.934,1172 292.102,1173 339.65,1174 354.405,1175 358.405,1176 358.405,1177 123.886,1178 8.828,1179 269.02,1180 277.4,1181 27,1182 13.147,1183 4.7,1184 3.954,1185 66.523,1186 222,1187 231,1188 0.143,1189 255.283,1190 442.83,1191 614.651,1192 101183,1194 29.474,1195 0.719,1196 0.527,1197 29.724,1198 21.613,1199 19.485,1200 0.433,1201 0.287,1202 11.274,1203 17.348,1204 11.075,1205 9.061,1206 20.339,1207 12.918,1208 18.684,1209 0.279,1210 0.147,1211 19.993,1212 9.854,1213 15.891,1214 0.177,1215 0.075,1216 16.739,1217 6.776,1218 12.967,1219 0.11,1220 0.039,1221 13.818,1222 4.601,1223 9.562,1224 0.067,1225 0.021,1226 10.31,1227 2.957,1228 0.229,1229 136.08,1230 0.186,1231 36.833,1232 0.382,1233 224,1234 920.619,1235 302.221,1236 871.267,1237 1155.67,1238 802,1239 269,1240 810.032,1241 360.461,1242 838.465,1243 1237.79,1244 782,1245 8.504}
{0 CHEMBL608839,1 1.893,2 16.75,3 1.243,4 1.544,5 154.401,6 9.039,7 0.551,8 4.403,9 4.493,10 4.211,11 3.86,12 5.64,13 3.9,14 4.925,15 5.042,16 4.556,17 4.255,18 6.344,19 4.289,20 5.161,21 5.306,22 4.638,23 4.364,24 6.516,25 4.381,26 5.255,27 5.423,28 4.665,29 4.352,30 6.721,31 4.367,32 5.226,33 5.411,34 4.644,35 4.312,36 6.548,37 4.318,38 5.188,39 5.357,40 4.624,41 4.241,42 6.708,43 4.281,44 5.115,45 5.275,46 4.494,47 4.182,48 6.603,49 4.218,50 5.036,51 5.201,52 4.441,53 4.181,54 6.419,55 4.201,56 0.435,57 1.135,58 13.39,59 5.813,60 55.993,61 5.713,62 1.164,63 1.735,64 22.001,65 9.667,66 113.863,67 10.309,68 1.546,69 2.008,70 34.009,71 12.449,72 162.645,73 13.496,74 1.959,75 2.095,76 39.689,77 12.601,78 234.599,79 14.061,80 1.782,81 2.042,82 43.154,83 12.158,84 178.758,85 13.634,86 1.922,87 1.922,88 43.934,89 11.102,90 245.165,91 12.007,92 1.857,93 1.766,94 34.701,95 9.829,96 216.003,97 10.351,98 1.373,99 1.725,100 30.663,101 9.283,102 166.596,103 10.309,104 65,105 73,106 0.291,107 0.693,108 0.82,109 0.885,110 0.911,111 0.916,112 3.81,113 0.883,114 -4,115 -3.95,116 -3.74,119 37.7,120 1,125 1,127 3,128 1,134 8,135 3,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 11,159 10,160 2,162 1,163 5,165 3,166 12,168 5,169 5,170 1,171 4,172 1,173 3,175 7,177 9,178 12,180 3,181 6,182 1,183 3,185 1,187 5,188 13,189 1,190 5,192 1,197 4,198 12,200 2,201 9,202 1,211 7,212 11,215 5,216 2,217 1,219 1,221 1,223 1,224 6,227 4,228 1,229 3,231 1,233 2,234 7,235 9,237 1,238 7,240 5,244 3,246 4442,247 29.154,248 29.154,249 29.154,250 29.154,251 29.154,252 25.498,253 29.468,254 16.554,255 29.765,256 24.111,257 24.111,258 24.111,259 24.111,260 24.111,261 18.518,262 32.431,263 7.807,264 25.249,265 4.215,266 1.605,267 0.776,268 0.359,269 0.185,270 0.156,271 4.513,276 1616,277 4.416,280 358.432,281 452.14,282 196.993,284 2.761,285 82.471,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 100.5,295 737,296 4.705,297 4.473,298 6.935,299 4.252,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.679,306 3.588,307 6.764,308 4.218,309 3.235,310 4.489,311 1.041,312 11.105,313 3.063,314 4.409,315 3.552,316 6.56,317 4.04,318 3.084,319 4.097,320 0.98,321 10.282,322 2.982,323 4.278,324 3.218,325 6.475,326 3.954,327 2.995,328 3.899,330 10.035,331 2.86,332 4.175,333 3.073,334 6.341,335 3.873,336 2.882,337 3.644,339 9.48,340 2.823,341 4.023,342 2.82,343 6.101,344 3.623,345 2.68,346 3.311,347 8.866,348 2.524,349 3.661,350 2.677,351 5.874,352 3.303,353 2.371,354 2.944,355 7.889,356 2.199,357 3.456,358 2.564,359 5.246,360 3.003,361 2.044,362 2.833,363 5.934,364 1.956,365 3.357,366 2.245,367 5.092,368 2.928,369 1.942,370 2.592,371 5.888,372 1.908,373 3.043,374 2.134,375 4.868,376 2.82,377 1.881,378 2.143,379 5.163,380 1.747,381 2.926,382 1.968,383 4.794,384 2.479,385 1.587,386 2.097,387 4.75,388 1.414,389 2.861,390 1.543,391 4.408,392 2.42,393 1.463,394 2.015,395 4.111,396 1.411,397 2.855,398 1.526,399 4.144,400 2.414,401 1.414,402 2.003,403 3.076,404 1.393,405 2.739,406 1.469,407 3.894,408 2.392,409 1.414,410 1.776,411 3.07,412 1.377,413 2.56,414 1.454,415 3.865,416 2.053,417 1.124,418 1.582,419 2.985,420 1.046,421 20.1,422 0.457,423 1.41,424 0.032,425 60,426 1.364,427 29.5,428 0.67,429 30.5,430 0.693,431 39.449,432 0.897,433 48.3,434 0.7,435 58.319,436 1.325,437 11.966,438 0.272,439 9.054,440 0.206,441 0.144,442 0.041,443 0.388,447 0.837,448 1.366,449 0.732,450 1.235,451 0.878,452 0.873,453 0.742,454 0.999,455 0.761,456 0.942,457 0.642,458 0.893,459 0.982,460 1.194,461 0.96,462 1.127,463 0.921,464 1.048,465 1.027,466 1.043,467 0.988,468 0.992,469 0.985,470 1.009,471 1.071,472 1.063,473 1.07,474 1.007,475 1.047,476 0.922,477 1.128,478 1.024,479 1.234,480 1.081,481 1.087,482 0.891,483 1.296,484 0.942,485 1.149,486 0.862,487 1.318,488 0.941,489 1.192,490 1.069,491 1.074,492 0.981,493 1.146,494 0.991,495 10,496 0.473,497 6.667,498 4.236,499 3.004,500 2.094,501 1.275,502 0.807,503 0.767,504 0.554,505 36724,506 122262,507 2.076,508 36.2,509 3,510 13,511 2,512 1,513 6,518 1.821,519 1.906,520 3.979,521 3.001,524 130.651,525 1.893,526 4.503,527 5.333,528 5.75,529 5.924,530 5.953,531 3.474,532 5.323,533 5.428,534 4.199,535 3972.07,536 9.608,537 74816.9,539 421.488,540 1.625,541 5.369,542 0.204,543 0.008,544 0.091,545 0.056,546 0.041,547 0.03,548 0.018,549 0.013,550 0.013,551 0.009,552 0.485,553 0.17,554 0.63,555 0.571,556 257.292,557 -0.08,558 -0.128,559 0.141,560 -0.093,561 -0.207,562 0.038,563 0.177,564 0.131,565 0.027,566 0.035,567 0.12,569 0.02,570 -0.163,571 -0.027,572 -0.116,573 -0.025,574 -0.095,575 0.056,576 -0.045,577 -0.006,578 -0.039,579 0.074,580 -0.074,581 -0.037,582 -0.05,583 0.048,584 0.013,585 -0.073,586 0.04,587 0.026,588 0.007,589 -0.067,590 -0.044,591 0.103,592 0.028,593 -0.084,594 0.064,595 -0.177,596 0.047,597 -0.076,598 -0.064,599 -0.166,600 -0.029,601 -0.13,602 -0.034,603 -0.109,604 -0.074,605 5.615,606 5.381,607 0.705,608 63.769,609 1.039,610 1.136,611 2.767,612 7.659,613 0.673,614 3.912,615 4.304,616 4.605,617 4.89,618 5.081,619 5.242,620 5.407,621 5.587,622 5.737,623 5.886,624 9.645,625 0.671,626 623.67,627 3.912,628 5.501,629 6.378,630 7.288,631 8.18,632 9.093,633 9.992,634 10.906,635 11.81,636 12.727,637 13,640 1,643 1,644 2,646 5,650 2,651 10,652 5,653 7,654 2,655 27,659 1,663 1,666 69,667 30,668 2,669 49,671 74,672 26,673 19,674 4,675 8,676 1,677 6,678 7,681 1,683 3,686 3,688 20,689 6,691 3,693 1,694 3,697 1,700 25,701 15,702 6,703 18,704 1,706 1,707 9,711 0.833,712 8,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,735 1,739 44,740 1,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 11.6,755 2,756 1,757 3,758 2,761 23.083,762 12.25,763 9.333,764 3.645,765 4.878,766 1.522,767 0.949,768 7.975,769 14.224,770 4.197,771 4.864,772 5.433,773 6.039,774 6.517,775 6.91,776 7.367,777 7.826,778 8.212,779 8.635,780 1,781 75,782 17.047,783 8.289,784 8.18,785 29.71,786 24.948,787 2.68,788 117.917,789 223.651,790 139.509,791 136.538,793 217.053,795 7.511,796 131.998,797 440.704,798 136.538,799 8.825,800 20.997,801 210.633,802 242.056,803 18.133,804 27.769,805 188.338,807 223.651,808 268.536,809 217.053,810 7.511,812 223.651,813 112.141,814 104.912,815 50.632,816 134.344,817 91.071,819 223.651,820 353.591,821 139.509,823 7.511,824 223.651,825 29.697,826 105.977,827 16.405,828 333.51,829 223.651,830 353.591,831 139.509,833 0.601,834 0.357,835 0.19,836 0.096,837 37,838 18,839 0.108,840 8,841 1,842 1.065,843 5.174,844 471.877,845 0.065,846 31,847 236.215,848 1,849 29.895,850 11.738,851 5.866,852 0.299,853 349.915,854 15.835,855 21.256,856 1.741,857 2.624,858 177.352,859 716.752,860 65.5,862 -4.698,863 37.04,866 -1.134,867 71.68,868 78.402,869 0.31,870 0.737,871 0.873,872 0.941,873 0.97,874 0.974,875 5.475,876 2.044,877 6.415,878 7.889,879 4.99,880 5.553,881 2.31,882 7.299,883 4.897,884 6.726,885 1.942,886 8.029,887 5.934,888 4.796,889 5.602,891 8.425,892 4.674,893 8.079,894 1.881,895 9.745,896 5.888,897 6.693,898 7.857,899 2.87,900 11.495,901 6.518,902 9.47,903 1.587,904 11.518,905 5.163,906 7.294,907 8.719,909 13.393,910 7.087,911 10.893,912 1.463,913 13.326,914 4.75,915 8.706,916 10.493,917 3.593,918 16.016,919 8.455,920 12.338,921 1.414,922 15.158,923 4.111,924 9.631,925 11.702,927 18.206,928 9.344,929 13.8,930 1.414,931 17.006,932 3.076,933 10.876,934 13.303,935 4.417,936 20.685,937 10.548,938 3.319,939 1.124,940 18.865,941 3.07,942 11.936,943 14.667,945 22.997,946 11.57,947 3.235,948 11.665,949 20.733,950 2.985,951 13.121,952 16.203,953 5.291,954 25.428,955 12.717,956 3.084,957 11.105,958 22.607,959 4.625,960 14.238,961 17.639,963 27.794,964 13.795,965 2.995,966 10.282,967 24.487,968 4.489,969 15.406,970 19.151,971 6.188,972 30.213,973 14.924,974 2.882,975 10.035,976 26.371,977 4.097,978 16.548,979 20.622,981 32.606,982 16.027,983 2.68,984 9.48,985 28.259,986 3.899,987 17.712,988 22.128,989 7.095,990 35.024,991 17.152,992 2.371,993 8.866,994 30.149,995 3.644,996 18.868,997 23.618,999 37.433,1000 18.269,1001 34149,1002 62644,1003 32.134,1004 46.426,1005 75.932,1006 77.969,1007 78.557,1008 75.166,1009 75.169,1010 99.244,1011 7.2,1012 229.984,1013 71.584,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 26.167,1024 1.55,1025 1.591,1026 1.603,1027 1.534,1028 1.534,1029 2.025,1030 0.147,1031 4.694,1032 1.461,1033 4.14,1034 4.191,1035 4.71,1036 3.96,1037 7.725,1038 3.984,1039 3.989,1040 4.015,1041 4.116,1042 3.887,1043 7.428,1044 3.885,1045 3.975,1046 3.977,1047 3.935,1048 3.869,1049 6.999,1050 3.863,1051 3.855,1052 3.859,1053 3.855,1054 3.764,1055 6.495,1056 3.693,1057 3.776,1058 3.785,1059 3.739,1060 3.592,1061 6.468,1062 3.587,1063 3.683,1064 3.718,1065 3.635,1066 3.47,1067 6.4,1068 3.503,1069 3.303,1070 3.382,1071 3.232,1072 3.064,1073 5.289,1074 3.093,1075 3.2,1076 3.257,1077 3.17,1078 3.022,1079 5.073,1080 3.006,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.252,1093 0.065,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.934,1100 1.909,1101 2.046,1102 2.042,1103 1.172,1104 2.025,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.165,1110 2.006,1111 1.812,1112 1.766,1113 1.848,1114 1.999,1115 1.065,1116 1.979,1117 1.646,1118 1.676,1119 1.778,1120 1.858,1121 1.001,1122 1.869,1123 1.558,1124 1.535,1125 1.653,1126 1.814,1127 0.784,1128 1.782,1129 1.442,1130 1.42,1131 1.553,1132 1.683,1133 0.61,1134 1.68,1135 1.359,1136 1.309,1137 1.478,1138 1.586,1139 0.579,1140 1.548,1141 1.208,1142 1.128,1143 1.363,1144 1.419,1145 0.553,1146 1.469,1147 4.595,1149 5.969,1150 3.434,1151 7.52,1152 5.82,1153 9.151,1154 7.934,1155 10.824,1157 1.939,1161 6.146,1162 31.211,1163 -0.77,1164 1.661,1165 10.582,1166 -5.817,1170 46.312,1171 130.651,1172 310.72,1173 367.978,1174 396.733,1175 408.733,1176 410.733,1177 116.381,1178 9.346,1179 242.72,1180 251.1,1181 33,1182 13.24,1183 4.954,1184 4.129,1185 66.278,1186 253,1187 254,1188 0.124,1189 282.004,1190 483.21,1191 679.85,1192 196474,1194 31.173,1195 0.708,1196 0.536,1197 31.423,1198 23.605,1199 21.02,1200 0.429,1201 0.294,1202 12.841,1203 19.102,1204 12.564,1205 10.308,1206 21.873,1207 14.429,1208 20.224,1209 0.277,1210 0.153,1211 21.533,1212 11.178,1213 17.226,1214 0.174,1215 0.079,1216 18.073,1217 7.803,1218 14.551,1219 0.11,1220 0.041,1221 15.402,1222 5.387,1223 10.899,1224 0.068,1225 0.022,1226 11.648,1227 3.474,1228 0.2,1229 143.594,1230 0.176,1231 39.065,1232 0.33,1233 244,1234 877.148,1235 317.018,1236 847.1,1237 1142.85,1238 782,1239 294,1240 818.85,1241 380.699,1242 852.694,1243 1259.98,1244 799,1245 9.229}
{0 CHEMBL608840,1 1.919,2 15.8,3 0.215,4 0.046,5 138.415,6 8.856,7 0.477,8 4.34,9 4.436,10 4.133,11 3.748,12 5.56,13 3.793,14 4.879,15 5.008,16 4.469,17 4.14,18 6.289,19 4.175,20 5.118,21 5.284,22 4.541,23 4.23,24 6.458,25 4.251,26 5.181,27 5.359,28 4.573,29 4.211,30 6.659,31 4.238,32 5.114,33 5.29,34 4.559,35 4.189,36 6.464,37 4.205,38 5.112,39 5.273,40 4.554,41 4.153,42 6.66,43 4.197,44 5.074,45 5.237,46 4.406,47 4.104,48 6.558,49 4.132,50 4.99,51 5.164,52 4.323,53 4.079,54 6.355,55 4.086,56 0.441,57 1.049,58 13.758,59 5.267,60 58.244,61 5.702,62 1.188,63 1.576,64 23.233,65 8.956,66 118.85,67 10.379,68 1.629,69 1.762,70 36.611,71 11.068,72 171.763,73 13.368,74 1.997,75 1.773,76 40.154,77 10.559,78 238.721,79 12.817,80 1.701,81 1.713,82 39.411,83 10.17,84 170.777,85 11.892,86 1.858,87 1.658,88 41.38,89 9.716,90 240.632,91 11.238,92 1.854,93 1.557,94 34.76,95 9.122,96 216.713,97 10.664,98 1.387,99 1.505,100 31.198,101 8.59,102 168.709,103 10.672,104 67,105 65,106 0.301,107 0.717,108 0.865,109 0.901,110 0.91,111 0.91,112 3.717,113 0.914,114 -3.37,115 -3.35,116 -3.21,119 33.8,120 1,121 2,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 6,159 10,160 2,162 1,163 5,165 3,166 5,168 5,169 4,170 1,171 4,172 1,173 3,175 2,177 9,178 8,180 3,181 6,182 1,183 3,187 5,188 8,189 1,190 5,192 1,197 4,198 8,200 2,201 9,202 1,211 7,212 7,215 5,216 2,217 1,219 1,221 1,223 1,224 3,227 4,228 1,229 2,231 1,233 1,234 7,235 6,237 1,238 7,240 3,244 1,246 3402,247 26.455,248 26.455,249 26.455,250 26.455,251 26.455,252 23.54,253 30.68,254 15.144,255 27.07,256 21.621,257 21.621,258 21.621,259 21.621,260 21.621,261 17.046,262 34.349,263 7.075,264 22.766,265 4.104,266 1.456,267 0.516,268 0.289,269 0.227,270 0.227,271 4.413,276 1365,277 4.528,280 329.481,281 272.843,282 179.813,284 2.52,285 80.627,286 0.25,287 0.5,288 0.33,289 0.5,291 0.33,292 0.5,293 0.35,294 92.5,295 632,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.991,318 3.057,319 3.899,320 0.98,321 10.249,322 2.863,323 4.256,324 3.212,325 6.341,326 3.874,327 2.884,328 3.87,330 9.481,331 2.835,332 4.114,333 2.959,334 6.157,335 3.764,336 2.819,337 3.337,339 9.115,340 2.664,341 3.699,342 2.677,343 5.881,344 3.341,345 2.411,346 3.004,347 7.921,348 2.234,349 3.558,350 2.621,351 5.3,352 3.184,353 2.238,354 2.879,355 6.767,356 2.109,357 3.357,358 2.45,359 5.245,360 2.928,361 1.942,362 2.592,363 5.916,364 1.908,365 3.043,366 2.243,367 4.868,368 2.82,369 1.881,370 2.128,371 5.163,372 1.747,373 2.871,374 1.969,375 4.794,376 2.479,377 1.587,378 2.015,379 4.75,380 1.411,381 2.861,382 1.543,383 4.357,384 2.421,385 1.471,386 2.004,387 4.051,388 1.391,389 2.732,390 1.524,391 4.143,392 2.392,393 1.414,394 1.763,395 3.07,396 1.377,397 2.55,398 1.469,399 3.894,400 2.052,401 1.116,402 1.512,403 2.987,404 1.046,405 2.474,406 1.311,407 3.672,408 2.045,409 1.046,410 1.466,411 2.615,412 1.035,413 2.227,414 1.247,415 3.605,416 1.905,417 0.97,418 1.156,419 2.34,420 0.902,421 18.1,422 0.453,423 1.269,424 0.032,425 51.5,426 1.288,427 23.5,428 0.588,429 28,430 0.7,431 36.994,432 0.925,433 45.5,434 0.7,435 49.235,436 1.231,437 10.023,438 0.251,439 9.052,440 0.226,441 0.16,442 0.046,443 0.376,447 0.85,448 1.509,449 0.748,450 1.344,451 0.876,452 0.94,453 0.739,454 1.081,455 0.763,456 1.004,457 0.628,458 0.943,459 0.981,460 1.192,461 0.92,462 1.099,463 0.908,464 0.997,465 1.074,466 0.951,467 0.965,468 0.9,469 1.006,470 0.909,471 1.12,472 1.056,473 1.094,474 1.034,475 1.1,476 0.922,477 1.132,478 1.047,479 1.258,480 1.157,481 1.11,482 0.941,483 1.259,484 0.943,485 1.159,486 0.92,487 1.291,488 1.013,489 1.159,490 1.09,491 1.098,492 1.064,493 1.125,494 1.089,495 9.5,496 0.425,497 5.778,498 3.833,499 2.862,500 1.865,501 1.213,502 0.819,503 0.67,504 0.458,505 27135,506 92692,507 2.042,508 38.5,509 5,510 9,511 2,512 1,513 6,514 2,518 1.799,519 1.868,520 3.891,521 3.133,524 124.721,525 1.919,526 4.566,527 5.507,528 5.734,529 5.795,530 5.795,531 3.409,532 5.122,533 5.29,534 4.088,535 3188.82,536 9.335,537 55645.5,539 391.454,540 1.652,541 5.226,542 0.216,543 0.009,544 0.089,545 0.058,546 0.044,547 0.03,548 0.019,549 0.015,550 0.013,551 0.009,552 0.502,553 0.17,554 0.63,555 0.864,556 227.021,557 -0.09,558 -0.195,559 0.149,560 -0.129,561 -0.196,562 0.023,563 0.177,564 0.074,565 0.048,566 0.002,567 0.134,568 -0.011,569 0.022,570 -0.172,571 0.042,572 -0.085,573 -0.012,574 -0.023,575 0.026,576 0.039,577 0.028,578 0.04,579 0.072,580 0.015,581 -0.07,582 -0.017,583 0.011,584 0.015,585 -0.093,586 0.02,587 0.011,588 0.002,589 -0.112,590 -0.088,591 0.087,592 -0.029,593 -0.085,594 0.056,595 -0.202,596 0.002,597 -0.077,598 -0.123,599 -0.157,600 -0.058,601 -0.155,602 -0.097,603 -0.103,604 -0.147,605 5.596,606 5.313,607 0.625,608 53.01,609 1.041,610 1.145,611 2.136,612 4.564,613 0.653,614 3.807,615 4.19,616 4.477,617 4.762,618 4.942,619 5.112,620 5.268,621 5.442,622 5.568,623 5.677,624 8.933,625 0.651,626 575.63,627 3.807,628 5.389,629 6.26,630 7.168,631 8.056,632 8.969,633 9.866,634 10.781,635 11.683,636 12.601,637 13.8,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 65,667 24,668 1,669 44,671 69,672 22,673 13,674 2,675 4,676 1,677 5,678 6,681 1,683 3,686 5,688 14,689 8,691 3,693 1,694 3,697 1,700 25,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 40,740 1,742 1,743 3,744 3,745 1,746 2,747 4,751 1,754 12.3,755 2,756 1,757 3,758 2,761 21.417,762 11.417,763 8.611,764 3.645,765 3.661,766 1.418,767 0.923,768 7.918,769 12.41,770 4.069,771 4.718,772 5.263,773 5.863,774 6.31,775 6.717,776 7.156,777 7.6,778 7.917,779 8.235,780 0.909,781 66,782 15.566,783 7.575,784 8.24,785 26.966,786 22.482,787 2.74,788 109.583,789 223.651,790 100.302,791 136.538,793 217.053,795 7.511,796 92.791,797 440.704,798 136.538,799 8.825,800 26.066,801 172.728,802 242.056,803 11.762,804 27.769,805 188.338,807 223.651,808 229.329,809 217.053,810 7.511,812 223.651,813 112.141,814 104.912,815 55.701,816 90.068,817 91.071,819 223.651,820 353.591,821 100.302,823 7.511,824 223.651,825 28.395,826 68.072,827 16.405,828 333.51,829 223.651,830 353.591,831 100.302,833 0.596,834 0.351,835 0.188,836 0.096,837 32,838 16,839 0.13,840 9,841 1,842 1.08,843 4.84,844 407.552,845 0.08,846 25,847 210.877,848 1,849 28.163,850 11.246,851 5.764,852 0.34,853 349.915,854 8.25,855 20.874,856 0.111,857 2.646,858 177.352,859 677.544,860 57.5,862 -4.68,863 36.849,866 -1.129,867 67.68,868 74.402,869 0.319,870 0.758,871 0.914,872 0.952,873 0.962,874 0.962,875 5.348,876 1.942,877 6.297,878 6.767,879 4.875,880 5.407,881 2.31,882 7.179,883 4.77,884 6.594,885 1.881,886 7.909,887 5.916,888 4.691,889 5.497,891 8.313,892 4.555,893 7.948,894 1.587,895 9.624,896 5.163,897 6.578,898 7.711,899 2.87,900 11.373,901 6.38,902 9.341,903 1.471,904 11.396,905 4.75,906 7.186,907 8.613,909 13.276,910 6.955,911 10.767,912 1.414,913 13.203,914 4.051,915 8.592,916 10.361,917 3.593,918 15.898,919 8.308,920 12.214,921 1.116,922 15.034,923 3.07,924 9.523,925 11.599,927 18.095,928 9.202,929 13.679,930 1.046,931 16.881,932 2.987,933 10.764,934 13.187,935 4.417,936 20.578,937 10.397,938 3.319,939 0.97,940 18.74,941 2.615,942 11.829,943 14.571,945 22.898,946 11.422,947 3.235,948 11.664,949 20.608,950 2.34,951 13.014,952 16.103,953 5.291,954 25.335,955 12.565,956 3.057,957 11.105,958 22.483,959 4.624,960 14.135,961 17.553,963 27.709,964 13.645,965 2.884,966 10.249,967 24.364,968 4.489,969 15.305,970 19.066,971 6.188,972 30.134,973 14.773,974 2.819,975 9.481,976 26.25,977 3.899,978 16.451,979 20.547,981 32.535,982 15.879,983 2.411,984 9.115,985 28.14,986 3.87,987 17.618,988 22.056,989 7.095,990 34.958,991 17.005,992 2.238,993 7.921,994 30.033,995 3.337,996 18.777,997 23.553,999 37.374,1000 18.125,1001 25728,1002 47867,1003 28.55,1004 42.426,1005 67.616,1006 69.831,1007 70.229,1008 67.096,1009 67.092,1010 86.813,1011 7.2,1012 204.205,1013 63.506,1014 5.683,1015 6.473,1016 6.706,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 24.613,1024 1.537,1025 1.587,1026 1.596,1027 1.525,1028 1.525,1029 1.973,1030 0.164,1031 4.641,1032 1.443,1033 4.134,1034 4.186,1035 4.71,1036 3.937,1037 7.725,1038 3.968,1039 3.989,1040 3.977,1041 4.11,1042 3.879,1043 7.428,1044 3.864,1045 3.893,1046 3.953,1047 3.858,1048 3.765,1049 6.999,1050 3.714,1051 3.844,1052 3.841,1053 3.843,1054 3.676,1055 6.495,1056 3.676,1057 3.744,1058 3.739,1059 3.698,1060 3.573,1061 6.468,1062 3.566,1063 3.503,1064 3.588,1065 3.344,1066 3.296,1067 6.4,1068 3.3,1069 3.297,1070 3.378,1071 3.202,1072 3.055,1073 5.287,1074 3.081,1075 3.2,1076 3.224,1077 3.168,1078 2.98,1079 5.057,1080 3.002,1081 0.107,1082 0.102,1083 0.158,1084 0.097,1085 0.075,1086 4.705,1087 0.105,1088 4.473,1089 0.036,1090 6.935,1091 0.265,1092 4.251,1093 0.073,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.038,1103 1.2,1104 2.006,1105 1.819,1106 1.772,1107 1.944,1108 2.005,1109 1.172,1110 1.988,1111 1.689,1112 1.676,1113 1.845,1114 1.86,1115 1.065,1116 1.885,1117 1.646,1118 1.63,1119 1.777,1120 1.856,1121 1.001,1122 1.869,1123 1.557,1124 1.533,1125 1.654,1126 1.812,1127 0.786,1128 1.781,1129 1.441,1130 1.42,1131 1.533,1132 1.683,1133 0.649,1134 1.68,1135 1.323,1136 1.252,1137 1.367,1138 1.581,1139 0.569,1140 1.55,1141 1.14,1142 1.08,1143 1.323,1144 1.437,1145 0.408,1146 1.42,1147 4.489,1149 5.855,1150 3.434,1151 7.397,1152 5.82,1153 9.019,1154 7.928,1155 10.686,1157 2,1161 6.07,1162 31.003,1163 0.807,1164 1.656,1165 10.518,1166 -5.732,1170 42.312,1171 124.721,1172 296.819,1173 357.944,1174 372.699,1175 376.699,1176 376.699,1177 115.218,1178 8.749,1179 242.72,1180 251.1,1181 27,1182 13.114,1183 4.644,1184 3.858,1185 64.051,1186 213,1187 237,1188 0.144,1189 259.811,1190 445.19,1191 625.698,1192 92022,1194 28.604,1195 0.715,1196 0.543,1197 28.854,1198 21.71,1199 19.075,1200 0.434,1201 0.305,1202 11.824,1203 17.155,1204 11.593,1205 9.529,1206 19.928,1207 13.412,1208 18.193,1209 0.28,1210 0.157,1211 19.502,1212 10.219,1213 15.207,1214 0.175,1215 0.08,1216 16.055,1217 6.935,1218 12.849,1219 0.111,1220 0.041,1221 13.699,1222 4.808,1223 9.45,1224 0.068,1225 0.022,1226 10.198,1227 3.067,1228 0.23,1229 131.923,1230 0.187,1231 36.122,1232 0.384,1233 218,1234 817.148,1235 291.018,1236 783.697,1237 1049.99,1238 722,1239 261,1240 745.85,1241 347.532,1242 775.181,1243 1145.81,1244 726,1245 8.801}
{0 CHEMBL608841,1 1.879,2 14.579,3 0.149,4 0.022,5 128.721,6 9.043,7 0.524,8 4.258,9 4.338,10 4.076,11 3.729,12 5.492,13 3.765,14 4.782,15 4.884,16 4.409,17 4.117,18 6.236,19 4.147,20 5.043,21 5.186,22 4.5,23 4.22,24 6.411,25 4.235,26 5.107,27 5.27,28 4.508,29 4.181,30 6.609,31 4.2,32 5.045,33 5.21,34 4.502,35 4.17,36 6.407,37 4.174,38 5.038,39 5.177,40 4.498,41 4.152,42 6.608,43 4.179,44 5.045,45 5.207,46 4.332,47 4.105,48 6.521,49 4.11,50 4.938,51 5.111,52 4.223,53 4.048,54 6.282,55 4.03,56 0.381,57 0.946,58 12.107,59 5.259,60 57.095,61 5.004,62 1.052,63 1.456,64 18.864,65 8.705,66 110.713,67 8.95,68 1.461,69 1.726,70 31.793,71 11.431,72 163.67,73 12.207,74 1.831,75 1.755,76 35.93,77 10.984,78 235.045,79 11.779,80 1.562,81 1.688,82 36.438,83 10.89,84 173.814,85 11.334,86 1.648,87 1.65,88 37.026,89 10.904,90 234.742,91 10.999,92 1.741,93 1.586,94 33.629,95 10.406,96 218.431,97 10.92,98 1.238,99 1.457,100 30.328,101 10.16,102 167.272,103 11.429,104 50,105 62,106 0.299,107 0.669,108 0.782,109 0.857,110 0.895,111 0.903,112 3.668,113 0.901,114 -3.57,115 -3.54,116 -3.38,119 38.3,125 1,127 3,128 1,134 9,135 2,136 1,138 1,139 1,141 1,147 1,149 1,150 1,152 1,153 1,154 1,157 10,159 7,160 3,162 1,163 5,165 3,166 10,168 3,169 5,170 1,171 4,172 1,173 3,175 5,177 6,178 10,180 2,181 5,182 1,183 4,186 1,187 3,188 9,190 4,192 3,195 2,197 1,198 11,200 1,201 8,202 1,203 2,208 2,211 5,212 9,215 4,216 2,217 2,219 1,221 1,224 4,227 2,228 1,229 4,231 1,234 6,235 5,237 1,238 5,240 6,246 2830,247 25.137,248 25.137,249 25.137,250 25.137,251 25.137,252 22.065,253 20.718,254 14.4,255 25.645,256 20.672,257 20.672,258 20.672,259 20.672,260 20.672,261 15.985,262 23.461,263 6.804,264 21.634,265 4.028,266 1.705,267 0.994,268 0.519,269 0.279,270 0.233,271 4.365,276 1208,277 4.243,280 201.457,281 381.9,282 167.457,284 2.316,285 76.418,286 0.25,287 0.5,288 0.5,289 0.1,291 0.33,292 0.5,293 0.31,294 87,295 554,296 4.705,297 4.473,298 6.935,299 4.252,300 3.318,301 4.623,302 1.579,303 11.664,304 3.209,305 4.676,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.066,314 4.278,315 3.552,316 6.555,317 3.99,318 3.049,319 3.899,320 0.98,321 10.242,322 2.868,323 4.203,324 3.177,325 6.341,326 3.873,327 2.883,328 3.72,330 9.481,331 2.843,332 4.055,333 2.772,334 6.116,335 3.696,336 2.727,337 3.304,339 8.933,340 2.643,341 3.653,342 2.677,343 5.874,344 3.3,345 2.368,346 2.923,347 7.884,348 2.197,349 3.357,350 2.548,351 5.246,352 2.928,353 1.943,354 2.683,355 5.917,356 1.908,357 3.303,358 2.244,359 4.868,360 2.823,361 1.883,362 2.592,363 5.163,364 1.764,365 3.043,366 1.969,367 4.794,368 2.784,369 1.819,370 2.123,371 4.753,372 1.741,373 2.861,374 1.822,375 4.537,376 2.477,377 1.587,378 2.015,379 4.666,380 1.405,381 2.77,382 1.543,383 4.145,384 2.392,385 1.414,386 1.867,387 3.07,388 1.377,389 2.703,390 1.469,391 3.894,392 2.214,393 1.264,394 1.744,395 3.04,396 1.198,397 2.55,398 1.311,399 3.754,400 2.051,401 1.047,402 1.512,403 2.857,404 1.045,405 2.5,406 1.285,407 3.605,408 2,409 1.033,410 1.5,411 2.615,412 1,413 2.432,414 1.216,415 3.448,416 1.953,417 1,418 1.408,419 2.139,420 0.945,421 17.4,422 0.458,423 1.201,424 0.032,425 51.75,426 1.362,427 25.5,428 0.671,429 26.25,430 0.691,431 31.93,432 0.84,433 42,434 0.7,435 48.403,436 1.274,437 10.332,438 0.272,439 7.811,440 0.206,441 0.138,442 0.048,443 0.368,447 0.865,448 1.397,449 0.75,450 1.239,451 0.894,452 0.861,453 0.761,454 1.037,455 0.806,456 0.977,457 0.654,458 0.949,459 0.983,460 1.197,461 0.958,462 1.101,463 0.912,464 1.029,465 1.092,466 0.981,467 1.006,468 0.907,469 1.017,470 0.937,471 1.104,472 1.01,473 1.099,474 0.992,475 1.097,476 0.893,477 1.093,478 1.12,479 1.286,480 1.235,481 1.096,482 1.022,483 1.224,484 0.877,485 1.172,486 0.917,487 1.24,488 1.037,489 1.106,490 1.059,491 1.052,492 1.097,493 1.063,494 1.111,495 8.5,496 0.353,497 5.556,498 3.674,499 2.518,500 1.854,501 1.154,502 0.748,503 0.564,504 0.413,505 23674,506 80961,507 2.059,508 36.7,510 14,511 1,512 1,513 6,518 1.787,519 1.892,520 3.791,521 3.129,524 112.754,525 1.879,526 4.202,527 4.913,528 5.388,529 5.628,530 5.674,531 3.255,532 4.932,533 5.219,534 3.993,535 2807.32,536 9.189,537 46875,539 354.413,540 1.636,541 5.156,542 0.202,543 0.009,544 0.09,545 0.057,546 0.041,547 0.031,548 0.019,549 0.014,550 0.012,551 0.009,552 0.486,553 0.17,554 0.63,555 0.588,556 211.769,557 -0.115,558 -0.175,559 0.143,560 -0.086,561 -0.221,562 0.057,563 0.16,564 0.088,565 -0.028,566 -0.006,567 0.108,568 -0.065,569 0.02,570 -0.183,571 -0.009,572 -0.105,573 -0.025,574 -0.076,575 0.018,576 0.019,577 -0.007,578 0.031,579 0.061,580 -0.015,581 -0.055,582 0.024,583 0.026,584 0.055,585 -0.092,586 0.059,587 0.036,588 -0.075,589 -0.141,590 -0.148,591 0.091,592 -0.093,593 -0.077,594 0.102,595 -0.2,596 0.006,597 -0.07,598 -0.118,599 -0.118,600 -0.102,601 -0.071,602 -0.114,603 -0.069,604 -0.113,605 5.578,606 5.284,607 0.684,608 46.022,609 1.04,610 1.132,611 2.339,612 5.472,613 0.673,614 3.761,615 4.143,616 4.431,617 4.71,618 4.913,619 5.05,620 5.209,621 5.371,622 5.476,623 5.568,624 8.46,625 0.671,626 542.58,627 3.761,628 5.342,629 6.213,630 7.119,631 8.006,632 8.917,633 9.813,634 10.727,635 11.628,636 12.544,637 10,640 1,643 1,644 1,646 3,650 2,651 10,652 3,653 5,654 1,655 22,659 1,663 1,666 60,667 25,668 2,669 42,671 64,672 23,673 17,674 3,675 9,676 1,677 5,678 6,683 3,686 3,688 18,689 5,691 3,693 1,694 3,697 1,700 22,701 13,702 6,703 15,704 1,706 1,707 6,711 0.8,712 8,714 2,715 1,717 1,721 2,722 3,730 2,731 1,732 4,733 1,739 38,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 13.3,755 2,756 1,757 3,758 2,761 20.083,762 10.15,763 8.111,764 3.114,765 3.805,766 1.444,767 0.936,768 7.129,769 12.377,770 4.043,771 4.694,772 5.236,773 5.829,774 6.332,775 6.674,776 7.126,777 7.549,778 7.846,779 8.172,780 0.9,781 64,782 14.811,783 7.268,784 8.252,785 25.592,786 21.516,787 2.752,788 104.583,789 188.338,790 125.6,791 101.558,793 217.053,795 7.511,796 118.088,797 405.391,798 101.558,800 20.997,801 211.061,802 208.853,803 12.742,804 14.099,805 164.795,807 188.338,808 219.646,809 217.053,810 7.511,812 190.666,813 112.141,814 104.912,815 35.375,816 131.587,817 57.868,819 188.338,820 318.611,821 125.6,823 7.511,824 188.338,825 24.183,826 95.804,827 16.405,828 300.307,829 188.338,830 318.611,831 125.6,833 0.598,834 0.352,835 0.187,836 0.097,837 31,838 15,839 0.109,840 7,841 1,842 1.077,843 4.693,844 382.258,845 0.077,846 26,847 193.421,848 1,849 26.152,850 10.359,851 5.276,852 0.459,853 316.712,854 15.665,855 12.941,856 0.371,857 1.349,858 177.352,859 632.548,860 56,862 -4.662,863 36.767,866 -1.12,867 62.374,868 67.907,869 0.318,870 0.711,871 0.832,872 0.912,873 0.953,874 0.96,875 5.316,876 1.883,877 6.248,878 5.917,879 4.828,880 5.382,881 2.31,882 7.128,883 4.735,884 6.561,885 1.819,886 7.86,887 5.163,888 4.635,889 5.44,891 8.272,892 4.515,893 7.913,894 1.587,895 9.576,896 4.753,897 6.529,898 7.683,899 2.87,900 11.335,901 6.355,902 9.303,903 1.414,904 11.351,905 4.666,906 7.132,907 8.553,909 13.249,910 6.924,911 10.726,912 1.264,913 13.162,914 3.07,915 8.547,916 10.331,917 3.593,918 15.874,919 8.295,920 12.173,921 1.047,922 14.997,923 3.04,924 9.476,925 11.548,927 18.078,928 9.185,929 13.637,930 1.033,931 16.848,932 2.857,933 10.725,934 13.157,935 4.417,936 20.562,937 10.392,938 3.318,939 1,940 18.711,941 2.615,942 11.79,943 14.53,945 22.885,946 11.416,947 3.235,948 11.664,949 20.583,950 2.139,951 12.98,952 16.075,953 5.291,954 25.324,955 12.566,956 3.049,957 11.105,958 22.461,959 4.623,960 14.102,961 17.519,963 27.7,964 13.647,965 2.883,966 10.242,967 24.345,968 4.489,969 15.275,970 19.041,971 6.188,972 30.126,973 14.779,974 2.727,975 9.481,976 26.233,977 3.899,978 16.423,979 20.52,981 32.528,982 15.886,983 2.368,984 8.933,985 28.124,986 3.72,987 17.591,988 22.034,989 7.095,990 34.952,991 17.014,992 1.943,993 7.884,994 30.019,995 3.304,996 18.752,997 23.531,999 37.368,1000 18.135,1001 22252,1002 41394,1003 27.452,1004 40.409,1005 64.666,1006 67.044,1007 66.734,1008 64.165,1009 64.158,1010 84.358,1011 7.2,1012 194.701,1013 61.077,1014 5.683,1015 6.473,1016 6.737,1017 5.368,1018 5.318,1019 7.623,1020 3.158,1021 19.382,1022 5.209,1023 21.914,1024 1.54,1025 1.596,1026 1.589,1027 1.528,1028 1.528,1029 2.009,1030 0.171,1031 4.636,1032 1.454,1033 4.129,1034 4.175,1035 4.71,1036 3.963,1037 7.725,1038 3.987,1039 3.988,1040 3.976,1041 4.103,1042 3.886,1043 7.428,1044 3.865,1045 3.883,1046 3.91,1047 3.856,1048 3.787,1049 6.999,1050 3.79,1051 3.841,1052 3.835,1053 3.81,1054 3.758,1055 6.495,1056 3.684,1057 3.741,1058 3.735,1059 3.693,1060 3.573,1061 6.468,1062 3.565,1063 3.326,1064 3.401,1065 3.258,1066 3.099,1067 6.4,1068 3.127,1069 3.204,1070 3.227,1071 3.171,1072 2.989,1073 5.263,1074 3.012,1075 3.08,1076 3.119,1077 2.984,1078 2.892,1079 4.861,1080 2.891,1081 0.112,1082 0.107,1083 0.165,1084 0.101,1085 0.079,1086 4.705,1087 0.11,1088 4.473,1089 0.038,1090 6.935,1091 0.278,1092 4.252,1093 0.076,1094 3.318,1095 4.623,1096 1.579,1097 11.664,1098 3.209,1099 1.936,1100 1.906,1101 2.031,1102 2.062,1103 1.173,1104 2.045,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.096,1110 2.006,1111 1.734,1112 1.695,1113 1.816,1114 1.896,1115 1.064,1116 1.884,1117 1.644,1118 1.675,1119 1.763,1120 1.857,1121 0.985,1122 1.867,1123 1.55,1124 1.527,1125 1.643,1126 1.789,1127 0.745,1128 1.764,1129 1.441,1130 1.418,1131 1.365,1132 1.682,1133 0.569,1134 1.679,1135 1.129,1136 1.081,1137 1.318,1138 1.422,1139 0.406,1140 1.395,1141 1.022,1142 1.019,1143 1.181,1144 1.26,1145 0.241,1146 1.231,1147 4.443,1149 5.808,1150 3.045,1151 7.357,1152 5.476,1153 8.986,1154 7.627,1155 10.658,1161 6.066,1162 30.922,1163 -0.739,1164 1.66,1165 10.513,1166 -5.609,1170 40.248,1171 112.754,1172 252.136,1173 294.765,1174 323.294,1175 337.659,1176 340.413,1177 105.413,1178 8.571,1179 212.01,1180 220.39,1181 28,1182 13.058,1183 4.7,1184 3.907,1185 59.226,1186 194,1187 188,1188 0.147,1189 246.093,1190 426.85,1191 592.226,1192 73961,1194 27.026,1195 0.711,1196 0.533,1197 27.276,1198 20.264,1199 18.143,1200 0.432,1201 0.3,1202 11.08,1203 16.443,1204 10.87,1205 8.887,1206 18.996,1207 12.618,1208 17.364,1209 0.28,1210 0.157,1211 18.673,1212 9.704,1213 14.578,1214 0.176,1215 0.081,1216 15.426,1217 6.727,1218 12.242,1219 0.111,1220 0.042,1221 13.092,1222 4.667,1223 9.311,1224 0.069,1225 0.023,1226 10.06,1227 3.099,1228 0.235,1229 124.849,1230 0.191,1231 34.578,1232 0.394,1233 208,1234 758.213,1235 274.996,1236 731.36,1237 977.21,1238 674,1239 249,1240 679.687,1241 328.427,1242 715.243,1243 1059.59,1244 671,1245 9.569}
{0 CHEMBL608842,1 1.893,2 16.773,3 1.243,4 1.544,5 154.401,6 9.039,7 0.551,8 4.403,9 4.493,10 4.211,11 3.86,12 5.64,13 3.9,14 4.925,15 5.042,16 4.556,17 4.255,18 6.345,19 4.289,20 5.161,21 5.306,22 4.63,23 4.359,24 6.518,25 4.374,26 5.254,27 5.428,28 4.652,29 4.335,30 6.712,31 4.35,32 5.193,33 5.372,34 4.639,35 4.297,36 6.526,37 4.307,38 5.171,39 5.329,40 4.636,41 4.246,42 6.712,43 4.289,44 5.152,45 5.327,46 4.484,47 4.19,48 6.613,49 4.221,50 5.011,51 5.168,52 4.441,53 4.17,54 6.405,55 4.189,56 0.435,57 1.135,58 13.39,59 5.813,60 55.882,61 5.713,62 1.164,63 1.735,64 22.001,65 9.667,66 114.529,67 10.309,68 1.543,69 2.004,70 33.832,71 12.448,72 160.019,73 13.49,74 1.988,75 2.066,76 40.99,77 12.559,78 239.122,79 14.196,80 1.729,81 1.988,82 41.335,83 11.859,84 175.029,85 13.042,86 1.852,87 1.919,88 41.733,89 11.093,90 239.571,91 11.785,92 1.956,93 1.807,94 37.45,95 9.89,96 223.161,97 10.648,98 1.304,99 1.69,100 29.359,101 9.466,102 160.347,103 10.537,104 65,105 73,106 0.291,107 0.693,108 0.828,109 0.896,110 0.916,111 0.916,112 3.81,113 0.883,114 -4,115 -3.95,116 -3.74,119 37.7,120 1,125 1,127 3,128 1,134 8,135 3,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 11,159 10,160 2,162 1,163 5,165 3,166 12,168 5,169 5,170 1,171 4,172 1,173 3,175 7,177 9,178 11,180 3,181 6,182 1,183 3,185 1,187 5,188 12,189 1,190 5,192 1,197 4,198 14,200 2,201 9,202 1,211 7,212 9,215 5,216 2,217 1,219 1,221 1,223 1,224 8,227 4,228 1,229 3,231 1,233 2,234 7,235 8,237 1,238 7,240 4,244 2,246 4472,247 29.101,248 29.101,249 29.101,250 29.101,251 29.101,252 25.474,253 29.468,254 16.519,255 29.713,256 24.127,257 24.127,258 24.127,259 24.127,260 24.127,261 18.54,262 32.431,263 7.819,264 25.266,265 4.215,266 1.605,267 0.728,268 0.283,269 0.156,270 0.156,271 4.513,276 1618,277 4.416,280 360.135,281 453.048,282 197.851,284 2.783,285 82.345,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 100.5,295 738,296 4.705,297 4.473,298 6.935,299 4.252,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.354,315 3.552,316 6.557,317 4.008,318 3.068,319 4.032,320 0.98,321 10.257,322 2.903,323 4.278,324 3.213,325 6.341,326 3.908,327 2.94,328 3.899,330 9.53,331 2.857,332 4.16,333 2.998,334 6.279,335 3.871,336 2.882,337 3.598,339 9.479,340 2.812,341 3.992,342 2.761,343 6.011,344 3.588,345 2.637,346 3.314,347 8.595,348 2.504,349 3.674,350 2.677,351 5.864,352 3.31,353 2.374,354 3.001,355 7.869,356 2.217,357 3.561,358 2.565,359 5.246,360 3.171,361 2.199,362 2.89,363 6.104,364 2.127,365 3.357,366 2.347,367 5.057,368 2.928,369 1.942,370 2.592,371 5.916,372 1.908,373 3.1,374 2.243,375 4.868,376 2.82,377 1.882,378 2.363,379 5.163,380 1.747,381 3.042,382 1.969,383 4.794,384 2.599,385 1.641,386 2.12,387 4.751,388 1.569,389 2.861,390 1.68,391 4.555,392 2.477,393 1.586,394 2.015,395 4.634,396 1.405,397 2.756,398 1.543,399 4.148,400 2.392,401 1.414,402 1.84,403 3.246,404 1.377,405 2.711,406 1.469,407 4.05,408 2.238,409 1.264,410 1.763,411 3.07,412 1.23,413 2.558,414 1.311,415 3.894,416 2.053,417 1.114,418 1.579,419 2.962,420 1.046,421 20.1,422 0.457,423 1.427,424 0.032,425 60,426 1.364,427 29.5,428 0.67,429 30.5,430 0.693,431 39.268,432 0.892,433 48.3,434 0.7,435 58.252,436 1.324,437 11.95,438 0.272,439 9.053,440 0.206,441 0.144,442 0.041,443 0.388,447 0.837,448 1.366,449 0.732,450 1.235,451 0.879,452 0.873,453 0.742,454 0.999,455 0.761,456 0.942,457 0.64,458 0.893,459 0.983,460 1.214,461 0.977,462 1.154,463 0.925,464 1.079,465 1.028,466 0.989,467 0.967,468 0.941,469 0.985,470 0.956,471 1.086,472 1.06,473 1.069,474 1.01,475 1.068,476 0.909,477 1.115,478 1.127,479 1.241,480 1.168,481 1.102,482 0.956,483 1.31,484 0.835,485 1.168,486 0.781,487 1.294,488 0.894,489 1.145,490 1.182,491 1.035,492 1.071,493 1.126,494 1.043,495 10.5,496 0.475,497 6.444,498 3.986,499 3.129,500 2.045,501 1.249,502 0.869,503 0.73,504 0.538,505 36892,506 122578,507 2.076,508 36.2,509 3,510 13,511 2,512 1,513 6,518 1.821,519 1.906,520 3.993,521 3.001,524 130.651,525 1.893,526 4.503,527 5.38,528 5.826,529 5.953,530 5.953,531 3.5,532 5.323,533 5.427,534 4.209,535 3981.72,536 9.607,537 75165.6,539 421.488,540 1.625,541 5.369,542 0.214,543 0.008,544 0.088,545 0.054,546 0.043,547 0.03,548 0.018,549 0.014,550 0.012,551 0.009,552 0.491,553 0.17,554 0.63,555 0.571,556 257.483,557 -0.08,558 -0.128,559 0.141,560 -0.093,561 -0.208,562 0.038,563 0.177,564 0.131,565 0.027,566 0.035,567 0.122,569 0.019,570 -0.184,571 -0.044,572 -0.143,573 -0.03,574 -0.127,575 0.062,576 -0.005,577 0.033,578 0.009,579 0.081,580 -0.012,581 -0.037,582 -0.039,583 0.049,584 0.021,585 -0.071,586 0.046,587 0.039,588 -0.083,589 -0.091,590 -0.117,591 0.098,592 -0.044,593 -0.111,594 0.162,595 -0.178,596 0.109,597 -0.083,598 -0.012,599 -0.123,600 -0.15,601 -0.096,602 -0.102,603 -0.079,604 -0.113,605 5.615,606 5.379,607 0.705,608 64.541,609 1.039,610 1.136,611 2.767,612 7.659,613 0.673,614 3.912,615 4.304,616 4.595,617 4.883,618 5.081,619 5.242,620 5.403,621 5.591,622 5.733,623 5.881,624 9.696,625 0.671,626 623.67,627 3.912,628 5.501,629 6.375,630 7.284,631 8.173,632 9.085,633 9.982,634 10.896,635 11.798,636 12.714,637 13,640 1,643 1,644 2,646 5,650 2,651 10,652 5,653 7,654 2,655 27,659 1,663 1,666 69,667 30,668 2,669 49,671 74,672 26,673 19,674 4,675 8,676 1,677 6,678 7,681 1,683 3,686 3,688 20,689 6,691 3,693 1,694 3,697 1,700 25,701 15,702 6,703 18,704 1,706 1,707 9,711 0.833,712 8,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,735 1,739 44,740 1,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 11.6,755 2,756 1,757 3,758 2,761 23.083,762 12.25,763 9.306,764 3.638,765 4.846,766 1.518,767 0.949,768 7.975,769 14.192,770 4.197,771 4.864,772 5.426,773 6.034,774 6.517,775 6.912,776 7.365,777 7.832,778 8.209,779 8.63,780 1,781 74,782 17.046,783 8.288,784 8.18,785 29.71,786 24.944,787 2.68,788 117.917,789 223.651,790 139.509,791 136.538,793 217.053,795 7.511,796 131.998,797 440.704,798 136.538,799 8.825,800 20.997,801 210.633,802 242.056,803 18.133,804 27.769,805 188.338,807 223.651,808 268.536,809 217.053,810 7.511,812 223.651,813 112.141,814 104.912,815 50.632,816 134.344,817 91.071,819 223.651,820 353.591,821 139.509,823 7.511,824 223.651,825 29.697,826 105.977,827 16.405,828 333.51,829 223.651,830 353.591,831 139.509,833 0.602,834 0.353,835 0.187,836 0.097,837 37,838 18,839 0.108,840 8,841 1,842 1.065,843 5.188,844 470.62,845 0.065,846 31,847 236.215,848 1,849 29.895,850 11.738,851 5.992,852 0.299,853 349.915,854 15.877,855 21.213,856 1.752,857 2.619,858 177.352,859 716.752,860 65.5,862 -4.698,863 37.035,866 -1.134,867 71.68,868 78.402,869 0.31,870 0.737,871 0.881,872 0.954,873 0.974,874 0.974,875 5.475,876 2.199,877 6.412,878 7.869,879 4.99,880 5.553,881 2.31,882 7.29,883 4.897,884 6.726,885 1.942,886 8.021,887 6.104,888 4.796,889 5.602,891 8.401,892 4.674,893 8.078,894 1.882,895 9.731,896 5.916,897 6.688,898 7.854,899 2.87,900 11.465,901 6.513,902 9.467,903 1.641,904 11.498,905 5.163,906 7.28,907 8.708,909 13.351,910 7.07,911 10.887,912 1.586,913 13.3,914 4.751,915 8.691,916 10.482,917 3.593,918 15.971,919 8.435,920 12.329,921 1.414,922 15.126,923 4.634,924 9.608,925 11.685,927 18.157,928 9.314,929 13.788,930 1.264,931 16.969,932 3.246,933 10.851,934 13.286,935 4.417,936 20.635,937 10.515,938 3.319,939 1.114,940 18.823,941 3.07,942 11.906,943 14.646,945 22.946,946 11.529,947 3.235,948 11.665,949 20.687,950 2.962,951 13.091,952 16.182,953 5.291,954 25.378,955 12.672,956 3.068,957 11.105,958 22.558,959 4.625,960 14.205,961 17.616,963 27.746,964 13.745,965 2.94,966 10.257,967 24.435,968 4.489,969 15.371,970 19.129,971 6.188,972 30.166,973 14.871,974 2.882,975 9.53,976 26.317,977 4.032,978 16.513,979 20.6,981 32.562,982 15.971,983 2.637,984 9.479,985 28.203,986 3.899,987 17.676,988 22.107,989 7.095,990 34.982,991 17.094,992 2.374,993 8.595,994 30.093,995 3.598,996 18.832,997 23.597,999 37.394,1000 18.209,1001 34306,1002 62875,1003 32.134,1004 46.426,1005 76.025,1006 78.058,1007 78.374,1008 75.26,1009 75.266,1010 99.351,1011 7.2,1012 229.785,1013 71.68,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 26.247,1024 1.552,1025 1.593,1026 1.599,1027 1.536,1028 1.536,1029 2.028,1030 0.147,1031 4.689,1032 1.463,1033 4.139,1034 4.191,1035 4.71,1036 3.959,1037 7.725,1038 3.983,1039 3.989,1040 4.012,1041 4.116,1042 3.886,1043 7.428,1044 3.882,1045 3.972,1046 3.977,1047 3.931,1048 3.868,1049 6.999,1050 3.863,1051 3.856,1052 3.86,1053 3.855,1054 3.764,1055 6.495,1056 3.693,1057 3.778,1058 3.79,1059 3.741,1060 3.593,1061 6.468,1062 3.59,1063 3.69,1064 3.721,1065 3.642,1066 3.483,1067 6.4,1068 3.513,1069 3.308,1070 3.386,1071 3.237,1072 3.076,1073 5.289,1074 3.102,1075 3.203,1076 3.244,1077 3.17,1078 3.002,1079 5.074,1080 3.011,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.252,1093 0.065,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.932,1100 1.907,1101 2.046,1102 2.041,1103 1.172,1104 2.024,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.156,1110 2.006,1111 1.812,1112 1.766,1113 1.848,1114 1.998,1115 1.065,1116 1.979,1117 1.646,1118 1.676,1119 1.778,1120 1.858,1121 1.001,1122 1.869,1123 1.559,1124 1.535,1125 1.654,1126 1.815,1127 0.788,1128 1.783,1129 1.442,1130 1.421,1131 1.578,1132 1.683,1133 0.669,1134 1.68,1135 1.388,1136 1.339,1137 1.439,1138 1.592,1139 0.571,1140 1.569,1141 1.203,1142 1.125,1143 1.363,1144 1.481,1145 0.499,1146 1.471,1147 4.595,1149 5.969,1150 3.434,1151 7.517,1152 5.82,1153 9.143,1154 7.934,1155 10.812,1157 1.954,1161 6.142,1162 31.204,1163 -0.77,1164 1.661,1165 10.579,1166 -5.816,1170 46.312,1171 130.651,1172 310.72,1173 371.224,1174 401.978,1175 410.733,1176 410.733,1177 116.048,1178 9.346,1179 242.72,1180 251.1,1181 33,1182 13.228,1183 4.954,1184 4.129,1185 66.281,1186 254,1187 254,1188 0.124,1189 282.004,1190 483.21,1191 679.85,1192 196474,1194 31.173,1195 0.708,1196 0.536,1197 31.423,1198 23.605,1199 21.003,1200 0.429,1201 0.294,1202 12.835,1203 19.085,1204 12.554,1205 10.305,1206 21.856,1207 14.423,1208 20.331,1209 0.279,1210 0.154,1211 21.64,1212 11.232,1213 17.086,1214 0.174,1215 0.079,1216 17.934,1217 7.696,1218 14.455,1219 0.11,1220 0.041,1221 15.305,1222 5.339,1223 10.91,1224 0.068,1225 0.022,1226 11.659,1227 3.486,1228 0.199,1229 143.493,1230 0.176,1231 39.101,1232 0.328,1233 244,1234 877.148,1235 317.018,1236 847.417,1237 1142.37,1238 782,1239 293,1240 817.85,1241 379.699,1242 852.228,1243 1258,1244 798,1245 9.022}
{0 CHEMBL608843,1 1.897,2 15.927,3 0.467,4 0.218,5 142.963,6 8.671,7 0.467,8 4.377,9 4.475,10 4.152,11 3.789,12 5.584,13 3.827,14 4.921,15 5.056,16 4.493,17 4.187,18 6.308,19 4.215,20 5.169,21 5.334,22 4.56,23 4.294,24 6.488,25 4.299,26 5.269,27 5.471,28 4.597,29 4.273,30 6.69,31 4.282,32 5.151,33 5.327,34 4.587,35 4.231,36 6.496,37 4.244,38 5.166,39 5.34,40 4.57,41 4.191,42 6.684,43 4.229,44 5.093,45 5.253,46 4.435,47 4.135,48 6.573,49 4.162,50 5.035,51 5.214,52 4.355,53 4.123,54 6.389,55 4.13,56 0.429,57 1.088,58 14.878,59 5.575,60 55.28,61 6.266,62 1.19,63 1.645,64 25.403,65 9.531,66 120.185,67 11.384,68 1.594,69 1.868,70 38.332,71 11.92,72 164.573,73 14.707,74 2.094,75 1.887,76 47.253,77 11.882,78 249.391,79 15.55,80 1.685,81 1.8,82 40.987,83 10.426,84 165.64,85 12.585,86 1.923,87 1.741,88 44.867,89 9.92,90 242.163,91 12.1,92 1.817,93 1.611,94 35.742,95 9.349,96 210.797,97 11.264,98 1.41,99 1.586,100 33.454,101 8.632,102 168.693,103 11.101,104 84,105 67,106 0.296,107 0.703,108 0.847,109 0.881,110 0.89,111 0.89,112 3.741,113 0.918,114 -3.58,115 -3.55,116 -3.39,119 33.8,120 2,121 1,122 1,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 7,159 10,160 2,162 1,163 5,165 3,166 7,168 5,169 4,170 1,171 4,172 1,173 3,175 2,177 9,178 9,180 3,181 6,182 1,183 3,187 5,188 10,189 1,190 5,192 1,197 4,198 8,200 2,201 9,202 1,211 7,212 9,215 5,216 2,217 1,219 1,221 1,223 1,224 3,227 4,228 1,229 2,231 1,233 1,234 7,235 7,237 1,238 7,240 4,244 2,246 3683,247 26.739,248 26.739,249 26.739,250 26.739,251 26.739,252 23.825,253 30.68,254 15.189,255 27.355,256 22.156,257 22.156,258 22.156,259 22.156,260 22.156,261 17.59,262 34.349,263 7.195,264 23.299,265 4.19,266 1.575,267 0.651,268 0.434,269 0.375,270 0.375,271 4.435,276 1406,277 4.743,280 340.078,281 280.897,282 185.615,284 2.57,285 81.353,286 0.25,287 0.5,288 0.33,289 0.5,291 0.33,292 0.5,293 0.35,294 94.5,295 653,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.991,318 3.057,319 3.899,320 0.98,321 10.249,322 2.863,323 4.259,324 3.213,325 6.341,326 3.874,327 2.884,328 3.872,330 9.481,331 2.836,332 4.116,333 2.972,334 6.159,335 3.779,336 2.83,337 3.339,339 9.126,340 2.686,341 3.713,342 2.677,343 5.881,344 3.394,345 2.449,346 3.014,347 7.927,348 2.319,349 3.583,350 2.651,351 5.391,352 3.267,353 2.321,354 2.884,355 7.039,356 2.181,357 3.357,358 2.504,359 5.245,360 2.928,361 1.943,362 2.592,363 5.916,364 1.908,365 3.101,366 2.243,367 4.868,368 2.88,369 1.912,370 2.199,371 5.163,372 1.843,373 3.042,374 1.969,375 4.794,376 2.819,377 1.88,378 2.117,379 4.816,380 1.746,381 2.861,382 1.928,383 4.557,384 2.478,385 1.587,386 2.015,387 4.747,388 1.406,389 2.77,390 1.543,391 4.206,392 2.392,393 1.414,394 1.836,395 3.719,396 1.377,397 2.703,398 1.469,399 4.138,400 2.275,401 1.34,402 1.737,403 3.07,404 1.251,405 2.55,406 1.4,407 3.894,408 2.051,409 1.054,410 1.512,411 2.98,412 1.046,413 2.437,414 1.311,415 3.651,416 1.969,417 1.044,418 1.416,419 2.615,420 0.96,421 18.6,422 0.454,423 1.414,424 0.034,425 52,426 1.268,427 23.5,428 0.573,429 28.5,430 0.695,431 39.605,432 0.966,433 46.8,434 0.688,435 50.128,436 1.223,437 10.023,438 0.244,439 9.408,440 0.229,441 0.183,442 0.045,443 0.392,447 0.84,448 1.51,449 0.755,450 1.348,451 0.875,452 0.958,453 0.724,454 1.068,455 0.749,456 0.99,457 0.616,458 0.925,459 0.958,460 1.243,461 0.953,462 1.169,463 0.895,464 1.084,465 0.989,466 0.9,467 0.874,468 0.835,469 0.93,470 0.829,471 1.128,472 1.114,473 1.1,474 1.061,475 1.106,476 0.949,477 1.151,478 0.998,479 1.251,480 1.089,481 1.099,482 0.902,483 1.259,484 1.011,485 1.14,486 0.952,487 1.298,488 1.019,489 1.2,490 1.043,491 1.113,492 1.003,493 1.145,494 1.04,495 10.5,496 0.462,497 5.778,498 4.083,499 2.897,500 1.945,501 1.295,502 0.819,503 0.707,504 0.505,505 28998,506 96319,507 2.026,508 39.7,509 7,510 9,511 2,512 1,513 6,514 2,518 1.805,519 1.843,520 3.909,521 3.098,524 128.994,525 1.897,526 4.512,527 5.437,528 5.653,529 5.712,530 5.712,531 3.424,532 5.162,533 5.325,534 4.123,535 3381.25,536 9.405,537 60316.5,539 413.947,540 1.671,541 5.255,542 0.233,543 0.01,544 0.086,545 0.061,546 0.043,547 0.03,548 0.02,549 0.014,550 0.013,551 0.009,552 0.52,553 0.17,554 0.63,555 0.872,556 234.665,557 -0.078,558 -0.188,559 0.15,560 -0.125,561 -0.194,562 0.02,563 0.192,564 0.091,565 0.073,566 0.025,567 0.147,568 0.021,569 0.031,570 -0.203,571 -0.006,572 -0.146,573 -0.013,574 -0.106,575 0.085,576 0.05,577 0.141,578 0.099,579 0.111,580 0.125,581 -0.069,582 -0.053,583 -0.007,584 -0.018,585 -0.098,586 -0.019,587 0.002,588 0.052,589 -0.101,590 -0.048,591 0.09,592 0.002,593 -0.064,594 0.008,595 -0.185,596 -0.023,597 -0.063,598 -0.132,599 -0.184,600 0.01,601 -0.171,602 -0.054,603 -0.12,604 -0.118,605 5.6,606 5.331,607 0.61,608 56.052,609 1.038,610 1.144,611 2.351,612 5.528,613 0.65,614 3.829,615 4.22,616 4.489,617 4.779,618 4.956,619 5.13,620 5.293,621 5.46,622 5.591,623 5.71,624 9.15,625 0.645,626 589.66,627 3.829,628 5.416,629 6.282,630 7.192,631 8.077,632 8.99,633 9.884,634 10.8,635 11.7,636 12.618,637 13.2,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 68,667 24,668 1,669 45,671 72,672 23,673 13,674 2,675 4,676 1,677 5,678 6,681 2,683 3,686 4,688 14,689 9,690 1,691 3,693 1,694 3,697 1,700 27,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 2,739 41,740 1,742 1,743 3,744 2,745 1,746 2,747 5,751 1,754 11.8,755 2,756 1,757 3,758 2,761 22.25,762 12.25,763 8.694,764 3.729,765 3.687,766 1.418,767 0.918,768 8.157,769 12.515,770 4.086,771 4.736,772 5.268,773 5.871,774 6.319,775 6.727,776 7.171,777 7.611,778 7.932,779 8.263,780 0.909,781 67,782 15.946,783 7.74,784 8.217,785 27.722,786 23.169,787 2.717,788 111.417,789 247.193,790 106.593,791 136.538,793 217.053,795 7.511,796 99.082,797 464.246,798 136.538,799 17.65,800 23.532,801 172.728,802 242.056,803 11.762,804 27.769,805 211.88,807 247.193,808 235.62,809 217.053,810 7.511,812 247.193,813 112.141,814 104.912,815 61.992,816 90.068,817 91.071,819 247.193,820 353.591,821 106.593,823 7.511,824 247.193,825 25.86,826 76.897,827 16.405,828 333.51,829 247.193,830 353.591,831 106.593,833 0.601,834 0.344,835 0.184,836 0.094,837 33,838 17,839 0.125,840 9,841 1,842 1.08,843 4.9,844 420.68,845 0.08,846 25,847 215.66,848 1,849 29.127,850 11.481,851 6.131,852 0.337,853 349.915,854 8.264,855 21.006,856 0.105,857 2.655,858 177.352,859 707.377,860 58.5,862 -4.683,863 36.9,866 -1.129,867 70.563,868 77.817,869 0.312,870 0.741,871 0.893,872 0.929,873 0.938,874 0.938,875 5.372,876 1.943,877 6.326,878 7.039,879 4.905,880 5.425,881 2.31,882 7.204,883 4.804,884 6.62,885 1.912,886 7.937,887 5.916,888 4.745,889 5.521,891 8.33,892 4.616,893 7.973,894 1.88,895 9.648,896 5.163,897 6.605,898 7.72,899 2.87,900 11.386,901 6.413,902 9.362,903 1.587,904 11.416,905 4.816,906 7.216,907 8.62,909 13.283,910 6.992,911 10.784,912 1.414,913 13.22,914 4.747,915 8.612,916 10.365,917 3.593,918 15.904,919 8.335,920 12.229,921 1.34,922 15.048,923 3.719,924 9.541,925 11.601,927 18.099,928 9.227,929 13.69,930 1.054,931 16.892,932 3.07,933 10.779,934 13.189,935 4.417,936 20.581,937 10.418,938 3.319,939 1.044,940 18.749,941 2.98,942 11.841,943 14.572,945 22.9,946 11.44,947 3.235,948 11.664,949 20.615,950 2.615,951 13.025,952 16.104,953 5.291,954 25.337,955 12.58,956 3.057,957 11.105,958 22.489,959 4.624,960 14.144,961 17.553,963 27.71,964 13.658,965 2.884,966 10.249,967 24.369,968 4.489,969 15.312,970 19.067,971 6.188,972 30.135,973 14.784,974 2.83,975 9.481,976 26.254,977 3.899,978 16.458,979 20.548,981 32.535,982 15.889,983 2.449,984 9.126,985 28.143,986 3.872,987 17.623,988 22.057,989 7.095,990 34.959,991 17.014,992 2.321,993 7.927,994 30.036,995 3.339,996 18.782,997 23.553,999 37.374,1000 18.132,1001 27574,1002 50632,1003 28.956,1004 44.188,1005 69.66,1006 71.94,1007 72.189,1008 68.913,1009 68.948,1010 88.661,1011 7.2,1012 210.396,1013 65.363,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 26.731,1024 1.548,1025 1.599,1026 1.604,1027 1.531,1028 1.532,1029 1.97,1030 0.16,1031 4.675,1032 1.453,1033 4.134,1034 4.187,1035 4.71,1036 3.939,1037 7.725,1038 3.969,1039 3.989,1040 3.977,1041 4.111,1042 3.879,1043 7.428,1044 3.864,1045 3.9,1046 3.96,1047 3.859,1048 3.765,1049 6.999,1050 3.727,1051 3.846,1052 3.843,1053 3.847,1054 3.703,1055 6.495,1056 3.684,1057 3.749,1058 3.744,1059 3.701,1060 3.579,1061 6.468,1062 3.57,1063 3.588,1064 3.663,1065 3.443,1066 3.387,1067 6.4,1068 3.398,1069 3.303,1070 3.383,1071 3.224,1072 3.061,1073 5.287,1074 3.09,1075 3.201,1076 3.225,1077 3.169,1078 2.981,1079 5.057,1080 3.004,1081 0.105,1082 0.099,1083 0.154,1084 0.094,1085 0.074,1086 4.705,1087 0.103,1088 4.473,1089 0.035,1090 6.935,1091 0.259,1092 4.251,1093 0.071,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 1.992,1102 2.038,1103 1.262,1104 2.006,1105 1.821,1106 1.773,1107 1.991,1108 2.005,1109 1.172,1110 1.99,1111 1.747,1112 1.691,1113 1.847,1114 1.905,1115 1.065,1116 1.932,1117 1.646,1118 1.676,1119 1.778,1120 1.858,1121 1.001,1122 1.869,1123 1.558,1124 1.534,1125 1.655,1126 1.814,1127 0.791,1128 1.782,1129 1.442,1130 1.42,1131 1.552,1132 1.683,1133 0.681,1134 1.68,1135 1.361,1136 1.299,1137 1.417,1138 1.59,1139 0.569,1140 1.568,1141 1.151,1142 1.086,1143 1.367,1144 1.465,1145 0.469,1146 1.432,1147 4.511,1149 5.883,1150 3.434,1151 7.424,1152 5.82,1153 9.043,1154 7.928,1155 10.706,1157 4.083,1161 6.092,1162 31.059,1163 -0.071,1164 1.658,1165 10.537,1166 -5.395,1170 43.839,1171 128.994,1172 306.815,1173 369.683,1174 384.438,1175 388.438,1176 388.438,1177 121.07,1178 8.828,1179 242.72,1180 251.1,1181 27,1182 13.131,1183 4.644,1184 3.858,1185 66.525,1186 223,1187 229,1188 0.142,1189 269.403,1190 462.49,1191 649.103,1192 101693,1194 29.474,1195 0.719,1196 0.551,1197 29.724,1198 22.581,1199 19.43,1200 0.432,1201 0.306,1202 12.18,1203 17.511,1204 11.868,1205 9.794,1206 20.284,1207 13.768,1208 19.034,1209 0.284,1210 0.165,1211 20.343,1212 11.067,1213 15.315,1214 0.174,1215 0.08,1216 16.163,1217 7.047,1218 13.059,1219 0.111,1220 0.042,1221 13.909,1222 4.949,1223 9.573,1224 0.068,1225 0.022,1226 10.321,1227 3.124,1228 0.228,1229 134.058,1230 0.186,1231 36.876,1232 0.379,1233 224,1234 823.148,1235 297.018,1236 790.737,1237 1058.73,1238 728,1239 267,1240 751.85,1241 353.532,1242 782.886,1243 1155.59,1244 732,1245 8.854}
{0 CHEMBL608844,1 1.963,2 12.594,3 -1.471,4 2.163,5 106.456,6 9.33,7 0.457,8 4.093,9 4.17,10 3.943,11 3.501,12 5.354,13 3.559,14 4.623,15 4.725,16 4.265,17 3.888,18 6.13,19 3.941,20 4.87,21 5.002,22 4.351,23 3.991,24 6.292,25 4.027,26 4.948,27 5.103,28 4.344,29 3.958,30 6.507,31 3.986,32 4.876,33 5.046,34 4.294,35 3.906,36 6.263,37 3.907,38 4.813,39 4.949,40 4.264,41 3.812,42 6.463,43 3.856,44 4.75,45 4.9,46 4.037,47 3.698,48 6.337,49 3.728,50 4.571,51 4.736,52 3.901,53 3.613,54 6.014,55 3.614,56 0.416,57 0.793,58 10.184,59 4.103,60 63.609,61 3.855,62 1.08,63 1.186,64 15.951,65 6.911,66 116.836,67 6.944,68 1.501,69 1.346,70 26.476,71 9.085,72 174.034,73 9.49,74 1.832,75 1.33,76 30.591,77 8.986,78 240.52,79 9.571,80 1.594,81 1.231,82 32.83,83 9.061,84 184.01,85 9.602,86 1.625,87 1.112,88 32.91,89 8.499,90 238.184,91 8.602,92 1.637,93 1.003,94 26.385,95 7.174,96 216.93,97 7.223,98 1.103,99 0.918,100 21.786,101 6.399,102 162.272,103 7.183,104 50,105 52,106 0.327,107 0.734,108 0.858,109 0.907,110 0.921,111 0.921,112 3.502,113 0.902,114 -2.16,115 -2.2,116 -2.18,119 34,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,160 1,162 1,163 5,165 3,166 4,168 3,169 1,170 1,171 4,172 1,173 3,175 2,177 6,178 5,180 2,181 5,182 1,183 3,187 3,188 4,190 4,192 1,197 1,198 6,200 1,201 8,202 1,211 5,212 4,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 3,237 1,238 5,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.718,254 11.847,255 21.444,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 23.461,263 5.543,264 18.154,265 3.681,266 1.241,267 0.495,268 0.2,269 0.12,270 0.12,271 4.188,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 71.019,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 75,295 403,296 4.705,297 4.473,298 6.924,299 4.244,300 3.303,301 4.581,302 1.579,303 11.611,304 3.209,305 4.641,306 3.586,307 6.764,308 4.206,309 3.232,310 4.489,311 1.041,312 11.104,313 3.041,314 4.278,315 3.552,316 6.528,317 3.939,318 2.998,319 3.899,320 0.98,321 10.114,322 2.858,323 4.14,324 3.128,325 6.341,326 3.871,327 2.882,328 3.324,330 9.48,331 2.801,332 3.661,333 2.677,334 5.891,335 3.314,336 2.388,337 2.92,339 7.931,340 2.203,341 3.357,342 2.594,343 5.237,344 2.928,345 1.942,346 2.592,347 5.876,348 1.908,349 3.058,350 2.244,351 4.867,352 2.821,353 1.882,354 2.324,355 5.162,356 1.748,357 3.03,358 1.969,359 4.783,360 2.483,361 1.59,362 2.112,363 4.71,364 1.415,365 2.861,366 1.549,367 4.144,368 2.444,369 1.542,370 2.015,371 3.671,372 1.386,373 2.733,374 1.543,375 4.069,376 2.392,377 1.414,378 1.763,379 3.07,380 1.377,381 2.55,382 1.469,383 3.894,384 2.051,385 1.048,386 1.512,387 2.926,388 1.045,389 2.413,390 1.311,391 3.605,392 1.945,393 1.038,394 1.386,395 2.615,396 0.937,397 2.101,398 1.239,399 3.439,400 1.666,401 0.77,402 0.996,403 1.829,404 0.687,405 1.772,406 0.898,407 3.303,408 1.553,409 0.69,410 0.728,411 1.679,412 0.59,413 1.1,414 0.749,415 2.937,416 0.831,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.4,422 0.45,423 1.082,424 0.034,425 42.25,426 1.32,427 19.5,428 0.609,429 22.75,430 0.711,431 25.812,432 0.807,433 36.6,434 0.732,435 37.981,436 1.187,437 8.458,438 0.264,439 6.719,440 0.21,441 0.167,442 0.058,443 0.375,447 0.912,448 1.566,449 0.758,450 1.355,451 0.915,452 0.89,453 0.807,454 0.997,455 0.809,456 0.947,457 0.67,458 0.92,459 1.021,460 1.204,461 0.986,462 1.15,463 0.937,464 1.072,465 1.089,466 0.932,467 1.039,468 0.952,469 1.021,470 1.009,471 1.086,472 0.939,473 1.136,474 1.057,475 1.097,476 0.958,477 1.125,478 1.054,479 1.341,480 1.313,481 1.143,482 1.024,483 1.337,484 0.777,485 1.257,486 0.888,487 1.412,488 1.033,489 1.156,490 1.104,491 1.107,492 1.134,493 1.221,494 1.124,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 54841,507 2.019,508 36,510 9,511 1,512 2,513 6,518 1.743,519 1.837,520 3.593,521 3.384,524 98.138,525 1.963,526 4.403,527 5.149,528 5.444,529 5.524,530 5.524,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 282.193,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.162,558 -0.275,559 0.146,560 -0.134,561 -0.232,562 0.05,563 0.108,564 0.156,565 -0.038,566 0.035,567 0.096,568 -0.031,569 -0.024,570 -0.187,571 -0.044,572 -0.129,573 -0.047,574 -0.109,575 -0.011,576 0.026,577 -0.042,578 0.001,579 0.042,580 -0.068,581 -0.053,582 0.025,583 0.04,584 0.031,585 -0.096,586 0.047,587 0.034,588 -0.084,589 -0.104,590 -0.155,591 0.097,592 -0.049,593 -0.131,594 0.135,595 -0.236,596 0.045,597 -0.121,598 -0.119,599 -0.155,600 -0.155,601 -0.074,602 -0.115,603 -0.125,604 -0.118,605 5.542,606 5.111,607 0.625,608 32.086,609 1.052,610 1.142,611 0.931,612 0.866,613 0.658,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.664,626 466.48,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 12,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 50,667 19,668 1,669 35,671 53,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,698 1,700 18,701 13,702 6,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 16,755 2,756 1,757 3,758 2,761 17.417,762 8.317,763 6.833,764 2.474,765 2.842,766 1.364,767 0.908,768 6.108,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.53,783 6.224,784 8.414,785 21.215,786 17.743,787 2.914,788 93.25,789 141.253,790 81.323,791 101.558,793 217.053,795 7.511,796 73.812,797 358.306,798 101.558,800 20.997,801 163.68,802 220.624,803 15.847,804 14.099,805 105.94,807 141.253,808 175.37,809 217.053,810 7.511,812 141.253,813 112.141,814 104.912,815 43.993,816 81.02,817 57.868,819 141.253,820 318.611,821 81.323,823 7.511,824 141.253,825 18.67,826 57.041,827 16.405,828 300.307,829 141.253,830 318.611,831 81.323,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.113,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.504,850 8.685,851 4.463,852 0.491,853 316.712,854 7.796,855 11.878,856 -0.591,857 1.315,858 177.352,859 541.188,860 46,862 -4.625,863 36.293,866 -1.115,867 52.607,868 57.076,869 0.348,870 0.78,871 0.912,872 0.965,873 0.979,874 0.979,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.31,882 6.969,883 4.546,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.388,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.87,900 11.204,901 6.179,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.8,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.593,918 15.771,919 8.144,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.068,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.417,936 20.478,937 10.264,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.308,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.291,954 25.251,955 12.455,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.548,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.188,972 30.058,973 14.681,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.795,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.095,990 34.886,991 16.926,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.051,1001 13815,1002 27068,1003 22.482,1004 32.886,1005 53.801,1006 56.219,1007 56.379,1008 53.394,1009 53.442,1010 69.277,1011 7.2,1012 163.554,1013 50.409,1014 5.683,1015 6.473,1016 6.609,1017 5.36,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.209,1023 19.512,1024 1.537,1025 1.606,1026 1.611,1027 1.526,1028 1.527,1029 1.979,1030 0.206,1031 4.673,1032 1.44,1033 4.109,1034 4.157,1035 4.709,1036 3.924,1037 7.725,1038 3.948,1039 3.987,1040 3.976,1041 4.08,1042 3.873,1043 7.428,1044 3.863,1045 3.854,1046 3.849,1047 3.856,1048 3.763,1049 6.999,1050 3.689,1051 3.753,1052 3.742,1053 3.711,1054 3.578,1055 6.495,1056 3.57,1057 3.341,1058 3.421,1059 3.267,1060 3.088,1061 6.468,1062 3.12,1063 3.205,1064 3.228,1065 3.171,1066 2.985,1067 6.4,1068 3.008,1069 3.077,1070 3.107,1071 2.969,1072 2.854,1073 5.271,1074 2.857,1075 2.989,1076 3.091,1077 2.878,1078 2.746,1079 4.856,1080 2.749,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 4.473,1089 0.045,1090 6.924,1091 0.332,1092 4.244,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.008,1103 1.172,1104 2.006,1105 1.797,1106 1.751,1107 1.849,1108 2.004,1109 1.065,1110 1.965,1111 1.646,1112 1.676,1113 1.777,1114 1.858,1115 0.997,1116 1.869,1117 1.554,1118 1.531,1119 1.651,1120 1.804,1121 0.757,1122 1.775,1123 1.441,1124 1.418,1125 1.366,1126 1.683,1127 0.569,1128 1.679,1129 1.128,1130 1.079,1131 1.32,1132 1.427,1133 0.406,1134 1.399,1135 1.017,1136 1.014,1137 1.148,1138 1.263,1139 0.204,1140 1.234,1141 0.883,1142 0.839,1143 1.141,1144 1.222,1145 0.147,1146 1.208,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1161 5.728,1162 30.321,1163 -0.72,1164 1.638,1165 10.291,1166 -5.448,1170 33.195,1171 98.138,1172 220.154,1173 257.438,1174 272.193,1175 276.193,1176 276.193,1177 93.69,1178 7.817,1179 212.01,1180 220.39,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 204.714,1190 354.23,1191 491.262,1192 28622,1194 23.043,1195 0.72,1196 0.53,1197 23.293,1198 16.954,1199 15.176,1200 0.434,1201 0.301,1202 8.986,1203 13.462,1204 8.826,1205 7.191,1206 16.03,1207 10.526,1208 14.665,1209 0.282,1210 0.157,1211 15.974,1212 8.164,1213 12.209,1214 0.177,1215 0.082,1216 13.057,1217 5.634,1218 10.121,1219 0.112,1220 0.043,1221 10.972,1222 3.882,1223 7.362,1224 0.07,1225 0.024,1226 8.11,1227 2.517,1228 0.277,1229 107.142,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 690.213,1235 240.33,1236 659.888,1237 870.49,1238 606,1239 208,1240 592.983,1241 286.428,1242 625.775,1243 924.93,1244 585,1245 8.236}
{0 CHEMBL608845,1 1.92,2 12.594,3 -0.693,4 0.48,5 108.632,6 9.127,7 0.457,8 4.103,9 4.18,10 3.938,11 3.534,12 5.346,13 3.58,14 4.635,15 4.734,16 4.26,17 3.926,18 6.124,19 3.965,20 4.894,21 5.029,22 4.344,23 4.032,24 6.282,25 4.055,26 4.971,27 5.127,28 4.341,29 4.004,30 6.51,31 4.018,32 4.913,33 5.088,34 4.29,35 3.957,36 6.261,37 3.941,38 4.845,39 4.984,40 4.262,41 3.859,42 6.464,43 3.886,44 4.786,45 4.942,46 4.037,47 3.737,48 6.344,49 3.752,50 4.609,51 4.783,52 3.895,53 3.646,54 6.028,55 3.632,56 0.389,57 0.795,58 10.854,59 4.41,60 60.367,61 4.22,62 1.041,63 1.203,64 16.805,65 7.403,66 113.225,67 7.582,68 1.446,69 1.395,70 28.022,71 9.527,72 166.834,73 10.182,74 1.774,75 1.402,76 31.789,77 9.675,78 235.485,79 10.356,80 1.572,81 1.301,82 35.039,83 10.024,84 178.786,85 10.787,86 1.603,87 1.176,88 34.495,89 9.37,90 237.179,91 9.64,92 1.626,93 1.063,94 28.412,95 7.912,96 217.984,97 8.217,98 1.109,99 0.96,100 23.674,101 7.023,102 161.308,103 7.85,104 50,105 52,106 0.319,107 0.724,108 0.85,109 0.909,110 0.922,111 0.922,112 3.502,113 0.914,114 -2.29,115 -2.33,116 -2.29,119 35.3,125 1,127 3,128 1,134 5,135 2,136 1,139 1,140 1,143 1,147 1,150 1,152 1,153 1,154 1,157 5,159 6,160 5,162 1,163 5,165 4,166 4,167 1,168 1,169 3,171 3,172 1,173 4,175 2,176 1,177 5,178 7,180 2,181 5,182 1,183 3,187 3,188 4,190 3,192 3,197 1,198 6,200 1,201 7,202 1,203 2,211 4,212 6,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 4,235 7,237 1,238 4,240 4,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.718,254 11.847,255 21.39,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 23.461,263 5.543,264 18.061,265 3.753,266 1.314,267 0.556,268 0.196,269 0.118,270 0.118,271 4.188,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 69.574,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 74.5,295 403,296 4.705,297 4.473,298 6.924,299 4.246,300 3.303,301 4.581,302 1.579,303 11.611,304 3.209,305 4.641,306 3.586,307 6.764,308 4.21,309 3.232,310 4.489,311 1.041,312 11.104,313 3.068,314 4.278,315 3.552,316 6.528,317 3.947,318 2.998,319 3.899,320 0.98,321 10.114,322 2.86,323 4.14,324 3.128,325 6.341,326 3.872,327 2.882,328 3.324,330 9.48,331 2.82,332 3.661,333 2.677,334 5.891,335 3.317,336 2.388,337 2.92,339 7.931,340 2.209,341 3.357,342 2.594,343 5.237,344 2.928,345 1.942,346 2.592,347 5.876,348 1.908,349 3.058,350 2.244,351 4.867,352 2.821,353 1.882,354 2.324,355 5.162,356 1.749,357 3.03,358 1.969,359 4.783,360 2.488,361 1.59,362 2.112,363 4.71,364 1.44,365 2.861,366 1.549,367 4.144,368 2.468,369 1.542,370 2.015,371 3.671,372 1.404,373 2.733,374 1.543,375 4.069,376 2.392,377 1.414,378 1.763,379 3.07,380 1.377,381 2.55,382 1.469,383 3.894,384 2.051,385 1.048,386 1.512,387 2.926,388 1.046,389 2.413,390 1.311,391 3.605,392 1.965,393 1.038,394 1.386,395 2.615,396 0.957,397 2.101,398 1.239,399 3.439,400 1.697,401 0.77,402 0.996,403 1.829,404 0.71,405 1.772,406 0.898,407 3.303,408 1.556,409 0.69,410 0.728,411 1.679,412 0.591,413 1.1,414 0.749,415 2.937,416 0.835,417 -0.03,418 -0.032,419 -0.071,420 -0.025,421 14.5,422 0.453,423 1.082,424 0.034,425 41.75,426 1.305,427 19.5,428 0.609,429 22.25,430 0.695,431 26.149,432 0.817,433 36.5,434 0.716,435 37.644,436 1.176,437 8.38,438 0.262,439 6.797,440 0.212,441 0.166,442 0.057,443 0.372,447 0.888,448 1.474,449 0.764,450 1.313,451 0.906,452 0.884,453 0.786,454 1.01,455 0.811,456 0.962,457 0.655,458 0.94,459 1.028,460 1.271,461 0.987,462 1.137,463 0.925,464 1.061,465 1.083,466 0.932,467 1.044,468 0.965,469 1.013,470 1.025,471 1.073,472 0.918,473 1.11,474 1.044,475 1.064,476 0.953,477 1.113,478 1.078,479 1.31,480 1.315,481 1.139,482 1.04,483 1.321,484 0.824,485 1.217,486 0.908,487 1.393,488 1.031,489 1.168,490 1.018,491 1.091,492 1.027,493 1.19,494 1.046,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 53083,507 2.019,508 37.3,510 10,511 2,512 1,513 6,518 1.743,519 1.837,520 3.593,521 3.353,524 97.915,525 1.92,526 4.358,527 5.116,528 5.476,529 5.555,530 5.555,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 289.294,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.139,558 -0.2,559 0.15,560 -0.103,561 -0.227,562 0.062,563 0.129,564 0.138,565 -0.035,566 0.025,567 0.107,568 -0.043,569 -0.037,570 -0.255,571 -0.047,572 -0.124,573 -0.046,574 -0.1,575 -0.008,576 0.045,577 -0.058,578 -0.015,579 0.044,580 -0.091,581 -0.041,582 0.043,583 0.056,584 0.036,585 -0.083,586 0.055,587 0.05,588 -0.111,589 -0.082,590 -0.167,591 0.101,592 -0.06,593 -0.108,594 0.086,595 -0.191,596 0.024,597 -0.102,598 -0.107,599 -0.151,600 -0.077,601 -0.049,602 -0.032,603 -0.106,604 -0.05,605 5.53,606 5.121,607 0.625,608 32.086,609 1.047,610 1.137,611 1.062,612 1.128,613 0.66,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.661,626 465.49,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 9.8,640 1,643 1,644 1,646 2,650 2,651 7,652 2,653 3,654 1,655 16,659 1,663 1,666 51,667 19,668 1,669 35,671 54,672 18,673 12,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 13,689 5,691 3,693 1,694 3,697 1,698 1,700 19,701 12,702 6,703 14,704 1,707 5,711 0.75,712 8,714 2,715 1,717 1,718 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 15.7,755 2,756 1,757 3,758 2,761 17.417,762 8.45,763 6.833,764 2.551,765 2.842,766 1.364,767 0.911,768 6.152,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.53,783 6.21,784 8.383,785 21.344,786 17.935,787 2.883,788 92.25,789 153.024,790 91.657,791 84.772,793 217.053,795 7.511,796 84.146,797 370.078,798 84.772,800 20.997,801 182.204,802 183.449,803 16.276,804 25.87,805 117.711,807 153.024,808 168.918,809 217.053,810 7.511,812 153.024,813 112.141,814 104.912,815 33.23,816 102.117,817 41.082,819 153.024,820 301.826,821 91.657,823 7.511,824 153.024,825 19.099,826 66.946,827 16.405,828 283.521,829 153.024,830 301.826,831 91.657,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.111,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.566,850 8.723,851 4.487,852 0.852,853 299.926,854 9.714,855 7.956,856 -0.467,857 1.426,858 177.352,859 546.507,860 46,862 -4.613,863 36.319,866 -1.106,867 53.389,868 57.993,869 0.338,870 0.768,871 0.902,872 0.965,873 0.979,874 0.979,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.31,882 6.969,883 4.556,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.396,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.87,900 11.204,901 6.197,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.817,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.593,918 15.771,919 8.167,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.093,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.417,936 20.478,937 10.294,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.34,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.291,954 25.251,955 12.49,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.585,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.188,972 30.058,973 14.72,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.836,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.095,990 34.886,991 16.969,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.096,1001 13815,1002 26634,1003 22.482,1004 33.642,1005 53.801,1006 56.219,1007 56.379,1008 53.436,1009 53.442,1010 69.277,1011 7.2,1012 163.554,1013 50.694,1014 5.683,1015 6.473,1016 6.609,1017 5.357,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.209,1023 19.512,1024 1.537,1025 1.606,1026 1.611,1027 1.527,1028 1.527,1029 1.979,1030 0.206,1031 4.673,1032 1.448,1033 4.127,1034 4.168,1035 4.709,1036 3.974,1037 7.725,1038 3.997,1039 3.989,1040 3.976,1041 4.092,1042 3.89,1043 7.428,1044 3.866,1045 3.855,1046 3.85,1047 3.856,1048 3.765,1049 6.999,1050 3.692,1051 3.756,1052 3.743,1053 3.713,1054 3.586,1055 6.495,1056 3.573,1057 3.353,1058 3.43,1059 3.276,1060 3.116,1061 6.468,1062 3.145,1063 3.21,1064 3.234,1065 3.171,1066 2.993,1067 6.4,1068 3.016,1069 3.087,1070 3.123,1071 2.981,1072 2.895,1073 5.238,1074 2.889,1075 3.005,1076 3.091,1077 2.89,1078 2.746,1079 4.818,1080 2.75,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 4.473,1089 0.045,1090 6.924,1091 0.332,1092 4.246,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.01,1103 1.172,1104 2.006,1105 1.817,1106 1.777,1107 1.868,1108 2.004,1109 1.065,1110 1.97,1111 1.65,1112 1.676,1113 1.792,1114 1.858,1115 1,1116 1.869,1117 1.599,1118 1.571,1119 1.711,1120 1.818,1121 0.886,1122 1.801,1123 1.461,1124 1.452,1125 1.434,1126 1.686,1127 0.601,1128 1.689,1129 1.194,1130 1.149,1131 1.335,1132 1.45,1133 0.499,1134 1.438,1135 1.027,1136 1.032,1137 1.173,1138 1.269,1139 0.238,1140 1.244,1141 0.883,1142 0.839,1143 1.143,1144 1.244,1145 0.186,1146 1.231,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1161 5.79,1162 30.375,1163 -0.7,1164 1.648,1165 10.346,1166 -5.29,1170 33.7,1171 97.915,1172 222.258,1173 260.929,1174 279.294,1175 283.294,1176 283.294,1177 93.844,1178 7.817,1179 199.12,1180 207.5,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 207.512,1190 360.53,1191 498.09,1192 28622,1194 23.043,1195 0.72,1196 0.534,1197 23.293,1198 17.085,1199 15.176,1200 0.434,1201 0.305,1202 9.143,1203 13.521,1204 8.968,1205 7.309,1206 16.03,1207 10.666,1208 14.665,1209 0.282,1210 0.16,1211 15.974,1212 8.301,1213 12.209,1214 0.177,1215 0.084,1216 13.057,1217 5.787,1218 10.121,1219 0.112,1220 0.045,1221 10.972,1222 4.022,1223 7.362,1224 0.07,1225 0.025,1226 8.11,1227 2.611,1228 0.277,1229 106.688,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 670.568,1235 238.553,1236 642.508,1237 848.05,1238 590,1239 208,1240 576.518,1241 284.152,1242 609.938,1243 901.53,1244 571,1245 7.614}
{0 CHEMBL609097,1 1.957,2 12.594,3 -1.737,4 3.017,5 108.137,6 9.127,7 0.457,8 4.105,9 4.196,10 3.933,11 3.521,12 5.354,13 3.567,14 4.631,15 4.75,16 4.258,17 3.919,18 6.091,19 3.955,20 4.911,21 5.062,22 4.348,23 4.024,24 6.313,25 4.047,26 4.975,27 5.147,28 4.335,29 3.995,30 6.493,31 4.006,32 4.913,33 5.1,34 4.29,35 3.953,36 6.27,37 3.936,38 4.858,39 5.02,40 4.257,41 3.865,42 6.462,43 3.884,44 4.796,45 4.972,46 4.032,47 3.765,48 6.341,49 3.765,50 4.642,51 4.833,52 3.902,53 3.672,54 6.036,55 3.648,56 0.388,57 0.835,58 10.689,59 3.879,60 59.026,61 4.082,62 0.903,63 1.25,64 17.672,65 7.055,66 103.059,67 7.538,68 1.437,69 1.404,70 28.934,71 9.172,72 177.261,73 10.251,74 1.704,75 1.385,76 32.518,77 9.049,78 228.085,79 10.395,80 1.487,81 1.302,82 34.496,83 9.188,84 182.816,85 10.41,86 1.554,87 1.194,88 35.221,89 8.566,90 235.493,91 9.602,92 1.544,93 1.097,94 28.212,95 7.408,96 213.074,97 8.343,98 1.091,99 0.982,100 24.745,101 6.709,102 162.831,103 8.3,104 50,105 52,106 0.325,107 0.729,108 0.861,109 0.909,110 0.922,111 0.922,112 3.502,113 0.917,114 -2.16,115 -2.2,116 -2.18,119 33.3,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 5,160 1,162 1,163 6,164 1,165 3,166 4,168 2,169 1,170 1,171 5,172 1,173 3,175 2,177 5,178 4,180 2,181 5,182 2,183 4,187 2,188 3,190 4,191 1,192 2,197 1,198 4,200 1,201 7,202 2,203 2,211 3,212 3,215 6,216 2,217 1,219 1,224 1,227 2,228 1,229 1,231 1,234 5,235 3,238 5,239 1,240 2,242 1,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.618,254 11.847,255 21.426,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 22.93,263 5.543,264 18.117,265 3.716,266 1.28,267 0.485,268 0.196,269 0.118,270 0.118,271 4.188,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 69.491,286 0.5,287 0.5,288 0.67,289 0.4,291 0.5,292 0.5,293 0.44,294 74.5,295 403,296 4.705,297 3.636,298 6.924,299 4.246,300 3.303,301 4.581,302 1.041,303 11.611,304 3.217,305 4.641,306 3.584,307 6.764,308 4.206,309 3.232,310 4.489,311 0.98,312 11.104,313 3.041,314 4.278,315 3.15,316 6.528,317 3.94,318 2.998,319 3.899,321 10.114,322 2.861,323 4.14,324 3.092,325 6.341,326 3.872,327 2.882,328 3.324,330 9.48,331 2.802,332 3.661,333 2.664,334 5.891,335 3.315,336 2.388,337 2.92,339 7.931,340 2.206,341 3.357,342 2.586,343 5.237,344 2.929,345 1.942,346 2.592,347 5.876,348 1.91,349 3.058,350 2.223,351 4.867,352 2.824,353 1.882,354 2.324,355 5.162,356 1.756,357 3.03,358 1.969,359 4.783,360 2.485,361 1.59,362 2.112,363 4.71,364 1.418,365 2.861,366 1.549,367 4.144,368 2.444,369 1.542,370 2.015,371 3.671,372 1.388,373 2.733,374 1.543,375 4.069,376 2.392,377 1.414,378 1.763,379 3.07,380 1.377,381 2.55,382 1.311,383 3.894,384 2.052,385 1.048,386 1.512,387 2.926,388 1.046,389 2.413,390 1.253,391 3.605,392 1.945,393 1.038,394 1.386,395 2.615,396 0.937,397 2.101,398 1.137,399 3.439,400 1.671,401 0.77,402 0.996,403 1.829,404 0.691,405 1.772,406 0.875,407 3.303,408 1.591,409 0.69,410 0.728,411 1.679,412 0.618,413 1.1,414 0.561,415 2.937,416 0.836,417 -0.03,418 -0.032,419 -0.071,420 -0.026,421 14.467,422 0.452,423 1.082,424 0.034,425 42,426 1.313,427 19.5,428 0.609,429 22.5,430 0.703,431 26.241,432 0.82,433 36.533,434 0.716,435 37.551,436 1.173,437 8.346,438 0.261,439 6.83,440 0.213,441 0.166,442 0.058,443 0.373,447 0.921,448 1.588,449 0.788,450 1.3,451 0.902,452 0.88,453 0.782,454 1.04,455 0.902,456 1.053,457 0.677,458 0.965,459 1.052,460 1.177,461 0.99,462 1.119,463 0.992,464 1.055,465 1.104,466 0.951,467 1.031,468 0.943,469 1.012,470 1.005,471 1.082,472 0.953,473 1.135,474 1.061,475 1.131,476 0.981,477 1.069,478 1.069,479 1.304,480 1.264,481 1.12,482 1.013,483 1.23,484 0.812,485 1.221,486 0.909,487 1.359,488 1.064,489 1.097,490 1.073,491 1.07,492 1.086,493 1.143,494 1.096,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 53623,507 2.019,508 37.3,510 9,511 1,512 2,513 7,518 1.743,519 1.837,520 3.593,521 4.248,524 99.793,525 1.957,526 4.392,527 5.187,528 5.476,529 5.555,530 5.555,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 289.294,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.63,555 0.636,556 168.878,557 -0.178,558 -0.277,559 0.128,560 -0.079,561 -0.224,562 0.069,563 0.08,564 0.159,565 -0.074,566 -0.018,567 0.08,568 -0.054,569 -0.04,570 -0.165,571 -0.043,572 -0.108,573 -0.061,574 -0.09,575 -0.026,576 0.007,577 -0.038,578 0.007,579 0.038,580 -0.061,581 -0.066,582 0.018,583 0.021,584 0.015,585 -0.109,586 0.018,587 0.056,588 -0.094,589 -0.082,590 -0.127,591 0.099,592 -0.032,593 -0.087,594 0.117,595 -0.215,596 0.016,597 -0.099,598 -0.137,599 -0.115,600 -0.141,601 -0.037,602 -0.084,603 -0.094,604 -0.079,605 5.292,606 5.223,607 0.625,608 32.086,609 1.047,610 1.144,611 0.931,612 0.866,613 0.656,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.657,626 465.5,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 13.7,639 1,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 51,667 19,668 1,669 35,671 54,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 19,701 13,702 7,703 15,704 1,706 1,707 7,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,740 1,741 1,743 3,744 1,745 2,746 1,747 4,754 13.7,755 2,756 1,757 3,758 1,761 17.417,762 8.4,763 6.833,764 2.529,765 2.842,766 1.364,767 0.915,768 6.108,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.409,783 6.1,784 8.383,785 21.313,786 17.925,787 2.883,788 92.25,789 141.253,790 76.894,791 117.963,793 208.508,795 5.569,796 71.325,797 349.761,798 117.963,800 18.511,801 178.143,802 212.078,803 15.847,804 14.099,805 105.94,807 141.253,808 189.288,809 208.508,810 5.569,812 141.253,813 112.141,814 96.367,815 57.911,816 81.02,817 55.926,819 141.253,820 326.471,821 76.894,823 5.569,824 141.253,825 16.183,826 57.041,827 32.81,828 291.762,829 141.253,830 326.471,831 76.894,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.111,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.504,850 8.685,851 4.463,852 0.527,853 324.572,854 7.913,855 11.919,856 -0.511,857 1.343,858 193.757,859 544.618,860 46,862 -4.375,863 36.555,866 -1.052,867 53.382,868 58.365,869 0.345,870 0.774,871 0.914,872 0.965,873 0.979,874 0.979,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 1.627,882 6.969,883 4.551,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.388,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 1.647,900 11.204,901 6.186,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.805,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 1.67,918 15.771,919 8.152,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.077,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 1.697,936 20.478,937 10.276,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.32,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 1.726,954 25.251,955 12.47,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.564,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 1.758,972 30.058,973 14.699,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.815,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 1.794,990 34.886,991 16.948,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.076,1001 13815,1002 26750,1003 22.482,1004 33.438,1005 53.801,1006 55.467,1007 56.379,1008 53.426,1009 53.442,1010 69.277,1011 4.042,1012 163.554,1013 50.538,1014 5.683,1015 5.636,1016 6.609,1017 5.36,1018 5.303,1019 7.581,1020 2.082,1021 19.32,1022 5.217,1023 19.512,1024 1.537,1025 1.585,1026 1.611,1027 1.526,1028 1.527,1029 1.979,1030 0.115,1031 4.673,1032 1.444,1033 4.111,1034 4.159,1035 4.716,1036 3.939,1037 7.72,1038 3.95,1039 3.999,1040 3.996,1041 4.08,1042 3.88,1043 7.428,1044 3.867,1045 3.865,1046 3.876,1047 3.856,1048 3.787,1049 6.999,1050 3.717,1051 3.755,1052 3.756,1053 3.712,1054 3.578,1055 6.495,1056 3.575,1057 3.344,1058 3.424,1059 3.269,1060 3.095,1061 6.468,1062 3.125,1063 3.219,1064 3.264,1065 3.173,1066 2.992,1067 6.4,1068 3.018,1069 3.082,1070 3.107,1071 2.985,1072 2.866,1073 5.271,1074 2.865,1075 2.99,1076 3.092,1077 2.88,1078 2.746,1079 4.855,1080 2.749,1081 0.134,1082 0.104,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.131,1088 3.636,1089 0.03,1090 6.924,1091 0.332,1092 4.246,1093 0.092,1094 3.303,1095 4.581,1096 1.041,1097 11.611,1098 3.217,1099 1.899,1100 1.885,1101 1.991,1102 2.011,1103 1.193,1104 2.017,1105 1.797,1106 1.751,1107 1.85,1108 2.007,1109 1.067,1110 1.965,1111 1.7,1112 1.708,1113 1.801,1114 1.894,1115 1.021,1116 1.916,1117 1.562,1118 1.532,1119 1.663,1120 1.807,1121 0.779,1122 1.778,1123 1.442,1124 1.419,1125 1.399,1126 1.686,1127 0.641,1128 1.68,1129 1.142,1130 1.089,1131 1.32,1132 1.437,1133 0.408,1134 1.411,1135 1.027,1136 1.015,1137 1.155,1138 1.283,1139 0.223,1140 1.253,1141 0.883,1142 0.839,1143 1.141,1144 1.222,1145 0.155,1146 1.209,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1161 5.738,1162 30.41,1163 -0.47,1164 3.825,1165 5.625,1166 -5.194,1170 33.501,1171 99.793,1172 224.009,1173 264.539,1174 279.294,1175 283.294,1176 283.294,1177 96.032,1178 7.817,1179 214.81,1180 223.19,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 207.512,1190 356.44,1191 498.09,1192 28622,1194 23.043,1195 0.72,1196 0.533,1197 23.293,1198 17.046,1199 15.176,1200 0.434,1201 0.306,1202 9.108,1203 13.504,1204 8.934,1205 7.287,1206 16.03,1207 10.704,1208 14.665,1209 0.282,1210 0.162,1211 15.974,1212 8.429,1213 12.209,1214 0.177,1215 0.085,1216 13.057,1217 5.85,1218 10.121,1219 0.112,1220 0.045,1221 10.972,1222 4.064,1223 7.362,1224 0.07,1225 0.026,1226 8.11,1227 2.681,1228 0.277,1229 106.716,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 660.81,1235 237.901,1236 638.8,1237 842.93,1238 586,1239 208,1240 576.317,1241 283.167,1242 608.192,1243 896.35,1244 569,1245 8.42}
{0 CHEMBL609098,1 1.959,2 12.594,3 -1.667,4 2.779,5 101.947,6 9.54,7 0.314,8 4.077,9 4.145,10 3.945,11 3.488,12 5.342,13 3.552,14 4.618,15 4.71,16 4.27,17 3.879,18 6.145,19 3.938,20 4.875,21 5.002,22 4.356,23 3.978,24 6.33,25 4.021,26 4.925,27 5.069,28 4.347,29 3.923,30 6.527,31 3.966,32 4.832,33 4.986,34 4.291,35 3.873,36 6.251,37 3.886,38 4.802,39 4.928,40 4.268,41 3.793,42 6.482,43 3.847,44 4.729,45 4.866,46 4.044,47 3.669,48 6.369,49 3.712,50 4.538,51 4.683,52 3.904,53 3.571,54 6.054,55 3.59,56 0.442,57 0.769,58 9.353,59 4.155,60 66.159,61 3.651,62 1.125,63 1.162,64 14.733,65 6.895,66 120.394,67 6.561,68 1.631,69 1.317,70 26.325,71 9.271,72 197.289,73 9.303,74 1.919,75 1.276,76 29.411,77 8.853,78 256.779,79 8.932,80 1.614,81 1.19,82 30.489,83 8.934,84 196.335,85 8.878,86 1.722,87 1.1,88 32.056,89 8.518,90 253.072,91 8.159,92 1.712,93 0.974,94 25.058,95 7.181,96 239.099,97 6.707,98 1.217,99 0.873,100 20.614,101 6.345,102 184.642,103 6.556,104 50,105 52,106 0.328,107 0.741,108 0.856,109 0.914,110 0.927,111 0.927,112 3.502,113 0.9,114 -1.75,115 -1.82,116 -1.84,119 34.7,125 1,127 3,128 1,134 4,135 1,136 1,138 1,145 1,147 3,149 1,157 4,159 6,160 1,163 6,165 3,166 4,168 3,169 1,171 4,172 1,173 3,175 2,177 7,178 5,181 4,182 1,183 3,187 3,188 4,190 4,192 1,197 1,198 6,201 8,202 1,211 5,212 4,215 4,216 2,224 1,227 2,228 1,229 1,234 6,235 3,238 5,240 2,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.808,253 24.499,254 11.847,255 21.395,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.828,262 30.217,263 5.543,264 18.047,265 3.655,266 1.194,267 0.505,268 0.163,269 0.082,270 0.082,271 4.188,275 1,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 74.668,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 75.5,295 403,296 4.705,297 4.473,298 6.924,299 4.245,300 3.303,301 4.489,302 1.579,303 11.611,304 3.209,305 4.563,306 3.666,307 6.764,308 4.208,309 3.232,310 4.219,311 1.11,312 11.104,313 3.06,314 4.278,315 3.557,316 6.528,317 3.949,318 2.998,319 3.899,320 1.041,321 10.114,322 2.861,323 4.116,324 3.519,325 6.341,326 3.872,327 2.882,328 3.21,329 0.98,330 9.48,331 2.826,332 3.63,333 2.946,334 5.891,335 3.341,336 2.388,337 2.81,338 0.779,339 7.931,340 2.259,341 3.357,342 2.677,343 5.237,344 2.929,345 1.942,346 2.592,347 5.876,348 1.909,349 3.084,350 2.378,351 4.867,352 2.838,353 1.882,354 2.162,355 5.162,356 1.778,357 3.008,358 2.207,359 4.783,360 2.497,361 1.59,362 2.046,363 4.71,364 1.429,365 2.861,366 1.984,367 4.144,368 2.446,369 1.542,370 2.015,371 3.671,372 1.391,373 2.716,374 1.543,375 4.069,376 2.392,377 1.414,378 1.72,379 3.07,380 1.377,381 2.55,382 1.47,383 3.894,384 2.051,385 1.048,386 1.511,387 2.926,388 1.046,389 2.399,390 1.376,391 3.605,392 1.945,393 1.038,394 1.325,395 2.615,396 0.937,397 2.191,398 1.311,399 3.439,400 1.694,401 0.77,402 1.049,403 1.829,404 0.704,405 1.773,406 1.204,407 3.303,408 1.557,409 0.69,410 0.729,411 1.679,412 0.591,413 1.182,414 0.815,415 2.937,416 0.845,417 -0.03,418 -0.032,419 -0.071,420 -0.026,421 14.333,422 0.448,423 1.082,424 0.034,425 41.25,426 1.289,427 18.5,428 0.578,429 22.75,430 0.711,431 26.049,432 0.814,433 36.667,434 0.748,435 37.743,436 1.179,437 8.335,438 0.26,439 6.842,440 0.214,441 0.163,442 0.058,443 0.377,447 0.88,448 1.585,449 0.741,450 1.373,451 0.835,452 0.898,453 0.789,454 1.009,455 0.82,456 0.957,457 0.661,458 0.943,459 1.009,460 1.18,461 0.983,462 1.131,463 0.933,464 1.063,465 1.083,466 0.923,467 1.034,468 0.926,469 1.018,470 0.98,471 1.073,472 0.966,473 1.145,474 1.079,475 1.067,476 0.966,477 1.101,478 1.055,479 1.361,480 1.306,481 1.108,482 1.031,483 1.302,484 0.758,485 1.268,486 0.896,487 1.377,488 1.042,489 1.185,490 1.102,491 1.124,492 1.123,493 1.251,494 1.113,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 57037,507 2.019,508 34.7,510 9,511 1,512 2,513 5,518 1.743,519 1.837,520 3.593,521 2.562,524 96.008,525 1.959,526 4.42,527 5.11,528 5.451,529 5.533,530 5.533,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 275.121,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.152,558 -0.304,559 0.146,560 -0.155,561 -0.189,562 0.035,563 0.093,564 0.145,565 -0.065,566 0.016,567 0.076,568 -0.066,569 -0.03,570 -0.182,571 -0.03,572 -0.118,573 -0.051,574 -0.09,575 -0.016,576 0.031,577 -0.025,578 0.026,579 0.027,580 -0.034,581 -0.064,582 0.013,583 0.038,584 0.024,585 -0.107,586 0.046,587 0.023,588 -0.081,589 -0.121,590 -0.151,591 0.066,592 -0.052,593 -0.127,594 0.157,595 -0.243,596 0.04,597 -0.12,598 -0.124,599 -0.159,600 -0.167,601 -0.077,602 -0.097,603 -0.122,604 -0.105,605 5.563,606 5.094,607 0.625,608 32.086,609 1.058,610 1.139,611 0.525,612 0.275,613 0.66,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.671,626 467.46,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 10.2,643 2,644 1,645 1,646 1,651 5,652 1,653 4,654 1,655 11,657 1,663 1,666 49,667 16,668 1,669 35,671 52,672 17,673 9,674 2,675 4,676 3,677 4,678 5,683 3,686 3,688 12,689 5,691 5,693 1,694 4,695 1,696 1,697 2,700 17,701 13,702 5,703 15,704 1,706 1,707 5,709 1,711 0.75,712 9,714 2,715 1,721 2,722 2,730 2,731 1,732 3,733 1,739 32,742 1,743 3,744 1,745 2,746 2,747 4,754 18.4,755 2,756 1,757 4,758 2,761 17.417,762 8.2,763 6.833,764 2.461,765 2.25,766 1.288,767 0.9,768 6.108,769 10.067,770 3.839,771 4.44,772 4.899,773 5.424,774 5.757,775 5.972,776 6.173,777 6.41,778 6.461,779 6.481,780 1,781 53,782 12.586,783 6.315,784 8.492,785 21.148,786 17.73,787 2.992,788 95.75,789 141.253,790 84.925,791 69.886,793 242.198,795 7.511,796 77.414,797 383.451,798 69.886,800 39.008,801 130.783,802 223.806,803 26.955,804 11.771,805 105.94,807 141.253,808 147.3,809 242.198,810 7.511,812 141.253,813 137.286,814 104.912,815 71.396,816 59.118,817 24.297,819 141.253,820 312.084,821 84.925,823 7.511,824 141.253,825 22.272,826 57.041,827 34.416,828 275.769,829 141.253,830 312.084,831 84.925,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.115,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.504,850 8.685,851 4.463,853 310.185,854 6.469,855 3.89,856 -0.663,857 1.215,858 162.466,859 538.263,860 45.5,862 -4.646,863 48.026,864 1.126,865 3.962,866 -1.65,867 51.833,868 55.787,869 0.349,870 0.787,871 0.91,872 0.971,873 0.985,874 0.985,875 5.128,876 1.59,877 6.08,878 5.162,879 4.654,880 5.127,881 2.621,882 6.969,883 4.558,884 6.368,885 1.542,886 7.701,887 4.71,888 4.511,889 5.239,891 8.155,892 4.408,893 7.723,894 1.414,895 9.427,896 3.671,897 6.372,898 7.372,899 3.064,900 11.204,901 6.199,902 9.114,903 1.048,904 11.211,905 3.07,906 7.013,907 8.292,909 13.149,910 6.826,911 10.539,912 1.038,913 13.031,914 2.926,915 8.411,916 9.982,917 3.702,918 15.771,919 8.169,920 11.986,921 0.77,922 14.874,923 2.615,924 9.365,925 11.224,927 17.992,928 9.097,929 13.451,930 0.69,931 16.732,932 1.829,933 10.607,934 12.77,935 4.474,936 20.478,937 10.294,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.142,945 22.81,946 11.34,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.639,953 5.32,954 25.251,955 12.488,956 2.998,957 11.104,958 22.363,959 4.489,960 14.005,961 17.066,963 27.631,964 13.582,965 2.882,966 10.114,967 24.253,968 4.219,969 15.177,970 18.546,971 6.203,972 30.058,973 14.716,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 19.999,981 32.461,982 15.831,983 1.942,984 7.931,985 28.042,986 3.21,987 17.498,988 21.476,989 7.103,990 34.886,991 16.963,992 1.882,993 5.876,994 29.941,995 2.81,996 18.66,997 22.941,999 37.301,1000 18.089,1001 13815,1002 27595,1003 22.482,1004 32.335,1005 54.061,1006 57.022,1007 56.379,1008 53.372,1009 53.442,1010 67.549,1011 10.979,1012 163.554,1013 50.753,1014 5.683,1015 6.473,1016 6.609,1017 5.362,1018 5.303,1019 7.489,1020 3.158,1021 19.32,1022 5.209,1023 19.512,1024 1.545,1025 1.629,1026 1.611,1027 1.525,1028 1.527,1029 1.93,1030 0.314,1031 4.673,1032 1.45,1033 4.058,1034 4.095,1035 4.709,1036 3.906,1037 7.725,1038 3.893,1039 3.975,1040 3.971,1041 4.012,1042 3.819,1043 7.431,1044 3.846,1045 3.85,1046 3.837,1047 3.856,1048 3.759,1049 7.426,1050 3.678,1051 3.738,1052 3.733,1053 3.693,1054 3.554,1055 6.999,1056 3.556,1057 3.356,1058 3.427,1059 3.283,1060 3.081,1061 6.495,1062 3.119,1063 3.208,1064 3.232,1065 3.171,1066 2.986,1067 6.468,1068 3.01,1069 3.081,1070 3.1,1071 2.977,1072 2.863,1073 6.4,1074 2.865,1075 2.963,1076 2.992,1077 2.914,1078 2.746,1079 4.982,1080 2.749,1081 0.134,1082 0.128,1083 0.198,1084 0.121,1085 0.094,1086 4.705,1087 0.128,1088 4.473,1089 0.045,1090 6.924,1091 0.332,1092 4.245,1093 0.092,1094 3.303,1095 4.489,1096 1.579,1097 11.611,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.005,1103 1.17,1104 2.006,1105 1.701,1106 1.677,1107 1.803,1108 1.938,1109 1.064,1110 1.893,1111 1.642,1112 1.657,1113 1.742,1114 1.858,1115 0.976,1116 1.868,1117 1.533,1118 1.515,1119 1.622,1120 1.785,1121 0.668,1122 1.753,1123 1.434,1124 1.41,1125 1.361,1126 1.68,1127 0.562,1128 1.674,1129 1.124,1130 1.075,1131 1.316,1132 1.42,1133 0.397,1134 1.391,1135 1.019,1136 1.014,1137 1.142,1138 1.265,1139 0.203,1140 1.233,1141 0.883,1142 0.839,1143 1.108,1144 1.148,1145 0.147,1146 1.132,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1162 30.242,1163 -0.751,1164 3.963,1165 10.215,1166 -5.646,1170 32.888,1171 96.008,1172 216.591,1173 250.366,1174 267.121,1175 271.121,1176 271.121,1177 98.805,1178 7.817,1179 205.96,1180 214.34,1181 22,1182 12.863,1183 4.087,1184 3.524,1185 52.043,1186 145,1187 132,1188 0.174,1189 201.916,1190 362.92,1191 484.435,1192 28622,1194 23.043,1195 0.72,1196 0.526,1197 23.293,1198 16.838,1199 15.176,1200 0.434,1201 0.3,1202 8.952,1203 13.432,1204 8.807,1205 7.161,1206 16.03,1207 10.499,1208 14.665,1209 0.282,1210 0.156,1211 15.974,1212 8.137,1213 12.209,1214 0.177,1215 0.081,1216 13.057,1217 5.612,1218 10.121,1219 0.112,1220 0.043,1221 10.972,1222 3.875,1223 7.362,1224 0.07,1225 0.024,1226 8.11,1227 2.519,1228 0.277,1229 107.431,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 717.324,1235 241.462,1236 680.019,1237 890.82,1238 624,1239 208,1240 600.281,1241 287.45,1242 630.708,1243 933.57,1244 590,1245 6.097}
{0 CHEMBL609100,1 1.94,2 16.651,3 -0.394,4 0.155,5 147.203,6 9.394,7 0.563,8 4.359,9 4.447,10 4.197,11 3.797,12 5.626,13 3.852,14 4.874,15 4.984,16 4.536,17 4.188,18 6.331,19 4.239,20 5.108,21 5.251,22 4.605,23 4.283,24 6.49,25 4.316,26 5.18,27 5.341,28 4.629,29 4.257,30 6.686,31 4.293,32 5.141,33 5.317,34 4.616,35 4.227,36 6.504,37 4.252,38 5.11,39 5.261,40 4.611,41 4.179,42 6.684,43 4.235,44 5.079,45 5.236,46 4.466,47 4.136,48 6.584,49 4.178,50 4.987,51 5.147,52 4.416,53 4.126,54 6.396,55 4.15,56 0.472,57 1.098,58 11.605,59 5.234,60 61.198,61 4.768,62 1.193,63 1.658,64 18.526,65 8.556,66 116.774,67 8.466,68 1.635,69 1.876,70 30.971,71 11.257,72 174.325,73 11.598,74 1.989,75 1.905,76 35.072,77 11.144,78 240.768,79 11.623,80 1.794,81 1.852,82 38.123,83 10.878,84 184.912,85 11.3,86 1.87,87 1.768,88 38.15,89 10.348,90 245.276,91 10.228,92 1.9,93 1.662,94 32.067,95 9.391,96 224.755,97 9.299,98 1.413,99 1.614,100 27.65,101 9.095,102 172.91,103 9.654,104 50,105 71,106 0.301,107 0.71,108 0.844,109 0.893,110 0.902,111 0.902,112 3.788,113 0.866,114 -2.9,115 -2.9,116 -2.81,119 36.9,125 1,127 3,128 1,134 6,135 2,136 1,137 2,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 6,159 10,160 4,162 1,163 5,165 3,166 5,168 5,169 6,170 1,171 4,172 1,173 3,175 2,177 9,178 9,180 3,181 6,182 1,183 3,187 6,188 6,189 1,190 5,192 1,197 6,198 10,200 2,201 9,202 1,211 7,212 5,215 5,216 2,217 1,219 1,221 1,223 3,224 4,227 4,228 1,229 3,231 1,233 2,234 7,235 6,237 1,238 7,240 2,246 4201,247 28.654,248 28.654,249 28.654,250 28.654,251 28.654,252 25.051,253 27.042,254 16.396,255 29.339,256 23.644,257 23.644,258 23.644,259 23.644,260 23.644,261 18.129,262 30.961,263 7.763,264 24.883,265 4.083,266 1.454,267 0.589,268 0.277,269 0.215,270 0.215,271 4.493,276 1575,277 4.359,280 350.931,281 441.728,282 192.619,284 2.729,285 83.547,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 99,295 716,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.339,315 3.552,316 6.557,317 4.004,318 3.066,319 4.007,320 0.98,321 10.256,322 2.883,323 4.278,324 3.212,325 6.341,326 3.89,327 2.924,328 3.899,330 9.493,331 2.854,332 4.152,333 2.982,334 6.269,335 3.869,336 2.881,337 3.504,339 9.474,340 2.8,341 3.933,342 2.696,343 5.996,344 3.535,345 2.592,346 3.283,347 8.523,348 2.438,349 3.648,350 2.676,351 5.861,352 3.289,353 2.357,354 2.925,355 7.86,356 2.188,357 3.366,358 2.534,359 5.246,360 2.928,361 1.943,362 2.765,363 5.917,364 1.908,365 3.357,366 2.244,367 4.868,368 2.837,369 1.891,370 2.592,371 5.163,372 1.781,373 3.043,374 1.969,375 4.794,376 2.816,377 1.877,378 2.143,379 5.035,380 1.745,381 2.926,382 1.898,383 4.674,384 2.478,385 1.587,386 2.097,387 4.749,388 1.406,389 2.861,390 1.543,391 4.192,392 2.392,393 1.456,394 2.015,395 3.672,396 1.377,397 2.741,398 1.469,399 4.136,400 2.388,401 1.414,402 1.778,403 3.07,404 1.354,405 2.564,406 1.459,407 3.894,408 2.052,409 1.129,410 1.587,411 2.99,412 1.046,413 2.549,414 1.311,415 3.67,416 2.043,417 1.046,418 1.511,419 2.617,420 1.029,421 19.5,422 0.453,423 1.321,424 0.031,425 60,426 1.395,427 29.5,428 0.686,429 30.5,430 0.709,431 36.458,432 0.848,433 47.1,434 0.725,435 57.437,436 1.336,437 11.991,438 0.279,439 8.618,440 0.2,441 0.123,442 0.043,443 0.374,447 0.867,448 1.425,449 0.721,450 1.26,451 0.887,452 0.857,453 0.795,454 1.028,455 0.794,456 0.952,457 0.669,458 0.908,459 1.024,460 1.179,461 0.983,462 1.12,463 0.947,464 1.043,465 1.081,466 1.013,467 1.014,468 0.972,469 1.031,470 0.994,471 1.11,472 1.009,473 1.095,474 0.995,475 1.089,476 0.896,477 1.115,478 1.029,479 1.272,480 1.167,481 1.118,482 0.948,483 1.288,484 0.9,485 1.176,486 0.864,487 1.32,488 0.965,489 1.127,490 1.048,491 1.06,492 1.04,493 1.116,494 1.05,495 9.5,496 0.437,497 6.222,498 3.799,499 2.858,500 2.014,501 1.193,502 0.807,503 0.73,504 0.508,505 34821,506 122717,507 2.091,508 33.8,510 11,511 2,512 3,513 6,518 1.816,519 1.933,520 3.975,521 3.055,524 126.088,525 1.94,526 4.568,527 5.434,528 5.745,529 5.807,530 5.807,531 3.485,532 5.194,533 5.394,534 4.181,535 3775.27,536 9.541,537 69889.7,539 391.454,540 1.596,541 5.342,542 0.198,543 0.008,544 0.088,545 0.053,546 0.041,547 0.03,548 0.017,549 0.013,550 0.013,551 0.009,552 0.469,553 0.17,554 0.63,555 0.553,556 249.788,557 -0.111,558 -0.185,559 0.136,560 -0.119,561 -0.214,562 0.032,563 0.123,564 0.107,565 -0.031,566 0.014,567 0.096,568 -0.043,569 -0.017,570 -0.166,571 -0.036,572 -0.108,573 -0.041,574 -0.084,575 0.013,576 -0.035,577 -0.018,578 -0.015,579 0.053,580 -0.056,581 -0.066,582 -0.01,583 0.044,584 0.047,585 -0.086,586 0.074,587 0.027,588 -0.007,589 -0.109,590 -0.093,591 0.09,592 -0.024,593 -0.113,594 0.072,595 -0.199,596 0.06,597 -0.099,598 -0.064,599 -0.125,600 -0.043,601 -0.107,602 -0.067,603 -0.088,604 -0.098,605 5.616,606 5.36,607 0.721,608 61.43,609 1.046,610 1.14,611 1.668,612 2.782,613 0.676,614 3.892,615 4.277,616 4.575,617 4.86,618 5.056,619 5.215,620 5.38,621 5.565,622 5.71,623 5.849,624 9.504,625 0.681,626 610.63,627 3.892,628 5.476,629 6.351,630 7.258,631 8.148,632 9.058,633 9.956,634 10.869,635 11.772,636 12.687,637 15.4,640 1,643 1,644 2,646 6,650 2,651 10,652 6,653 6,654 2,655 27,659 1,663 1,666 65,667 30,668 1,669 48,671 70,672 24,673 18,674 2,675 4,676 1,677 6,678 7,683 3,686 3,688 19,689 5,691 3,693 1,694 3,697 1,700 22,701 16,702 6,703 19,704 1,706 1,707 10,711 0.833,712 8,714 2,715 1,716 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 43,740 1,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 12.3,755 2,756 1,757 3,758 2,761 22.25,762 11.2,763 9.139,764 3.355,765 4.794,766 1.518,767 0.948,768 7.696,769 14.046,770 4.182,771 4.84,772 5.406,773 6.012,774 6.492,775 6.881,776 7.342,777 7.805,778 8.184,779 8.594,780 1,781 72,782 16.654,783 8.129,784 8.227,785 28.806,786 24.117,787 2.727,788 117.25,789 188.338,790 126.641,791 153.323,793 217.053,795 7.511,796 119.13,797 405.391,798 153.323,800 20.997,801 191.68,802 282.384,803 33.043,804 27.769,805 129.482,807 188.338,808 272.453,809 217.053,810 7.511,812 188.338,813 112.141,814 104.912,815 59.902,816 112.206,817 107.857,819 188.338,820 370.377,821 126.641,823 7.511,824 188.338,825 26.511,826 96.294,827 16.405,828 350.296,829 188.338,830 370.377,831 126.641,833 0.599,834 0.354,835 0.188,836 0.097,837 36,838 17,839 0.114,840 8,841 1,842 1.065,843 5.142,844 456.225,845 0.065,846 31,847 227.329,848 1,849 28.878,850 11.46,851 5.742,852 0.279,853 366.701,854 14.854,855 24.988,856 0.552,857 2.578,858 177.352,859 685.355,860 64.5,862 -4.699,863 36.98,866 -1.137,867 68.014,868 74.069,869 0.322,870 0.759,871 0.902,872 0.954,873 0.964,874 0.964,875 5.454,876 1.943,877 6.382,878 7.86,879 4.963,880 5.529,881 2.31,882 7.259,883 4.861,884 6.7,885 1.891,886 7.99,887 5.917,888 4.745,889 5.551,891 8.377,892 4.616,893 8.048,894 1.877,895 9.701,896 5.163,897 6.658,898 7.825,899 2.87,900 11.443,901 6.469,902 9.435,903 1.587,904 11.47,905 5.035,906 7.245,907 8.671,909 13.339,910 7.027,911 10.855,912 1.456,913 13.276,914 4.749,915 8.665,916 10.456,917 3.593,918 15.959,919 8.396,920 12.298,921 1.414,922 15.105,923 3.672,924 9.582,925 11.656,927 18.149,928 9.279,929 13.758,930 1.129,931 16.951,932 3.07,933 10.83,934 13.263,935 4.417,936 20.627,937 10.481,938 3.319,939 1.046,940 18.808,941 2.99,942 11.886,943 14.624,945 22.94,946 11.499,947 3.235,948 11.665,949 20.674,950 2.617,951 13.073,952 16.163,953 5.291,954 25.373,955 12.643,956 3.066,957 11.105,958 22.547,959 4.625,960 14.189,961 17.599,963 27.741,964 13.719,965 2.924,966 10.256,967 24.426,968 4.489,969 15.357,970 19.114,971 6.188,972 30.162,973 14.845,974 2.881,975 9.493,976 26.309,977 4.007,978 16.5,979 20.586,981 32.559,982 15.947,983 2.592,984 9.474,985 28.196,986 3.899,987 17.664,988 22.095,989 7.095,990 34.979,991 17.071,992 2.357,993 8.523,994 30.086,995 3.504,996 18.82,997 23.586,999 37.391,1000 18.187,1001 32260,1002 60816,1003 31.728,1004 43.909,1005 74.346,1006 76.304,1007 76.065,1008 73.618,1009 73.607,1010 97.515,1011 7.2,1012 223.422,1013 69.751,1014 5.683,1015 6.473,1016 6.737,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 23.939,1024 1.549,1025 1.59,1026 1.585,1027 1.534,1028 1.533,1029 2.032,1030 0.15,1031 4.655,1032 1.453,1033 4.137,1034 4.189,1035 4.71,1036 3.945,1037 7.725,1038 3.975,1039 3.989,1040 3.996,1041 4.114,1042 3.88,1043 7.428,1044 3.864,1045 3.947,1046 3.977,1047 3.912,1048 3.811,1049 6.999,1050 3.826,1051 3.853,1052 3.852,1053 3.855,1054 3.763,1055 6.495,1056 3.691,1057 3.765,1058 3.767,1059 3.726,1060 3.586,1061 6.468,1062 3.579,1063 3.656,1064 3.708,1065 3.61,1066 3.421,1067 6.4,1068 3.462,1069 3.3,1070 3.38,1071 3.23,1072 3.057,1073 5.289,1074 3.087,1075 3.2,1076 3.224,1077 3.17,1078 2.98,1079 5.083,1080 3.002,1081 0.098,1082 0.093,1083 0.144,1084 0.089,1085 0.069,1086 4.705,1087 0.096,1088 4.473,1089 0.033,1090 6.935,1091 0.243,1092 4.251,1093 0.067,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.04,1103 1.172,1104 2.006,1105 1.858,1106 1.823,1107 1.952,1108 2.005,1109 1.065,1110 1.994,1111 1.805,1112 1.76,1113 1.845,1114 1.962,1115 1.016,1116 1.954,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 0.994,1122 1.869,1123 1.558,1124 1.534,1125 1.653,1126 1.814,1127 0.778,1128 1.782,1129 1.442,1130 1.42,1131 1.446,1132 1.683,1133 0.572,1134 1.68,1135 1.328,1136 1.27,1137 1.362,1138 1.583,1139 0.5,1140 1.538,1141 1.126,1142 1.077,1143 1.315,1144 1.41,1145 0.405,1146 1.384,1147 4.575,1149 5.943,1150 3.434,1151 7.489,1152 5.82,1153 9.114,1154 7.934,1155 10.782,1161 6.114,1162 31.142,1163 -0.774,1164 1.655,1165 10.551,1166 -5.833,1170 44.28,1171 126.088,1172 296.95,1173 353.189,1174 373.454,1175 377.454,1176 377.454,1177 111.637,1178 9.252,1179 255.61,1180 263.99,1181 33,1182 13.201,1183 4.954,1184 4.129,1185 64.008,1186 243,1187 250,1188 0.125,1189 269.614,1190 459.61,1191 649.618,1192 175057,1194 30.302,1195 0.705,1196 0.524,1197 30.552,1198 22.553,1199 20.609,1200 0.429,1201 0.289,1202 12.257,1203 18.613,1204 12.064,1205 9.86,1206 21.463,1207 13.862,1208 19.697,1209 0.277,1210 0.149,1211 21.006,1212 10.598,1213 16.759,1214 0.175,1215 0.077,1216 17.607,1217 7.358,1218 14.151,1219 0.111,1220 0.04,1221 15.002,1222 5.058,1223 10.683,1224 0.068,1225 0.021,1226 11.432,1227 3.283,1228 0.2,1229 141.63,1230 0.178,1231 38.388,1232 0.331,1233 238,1234 888.793,1235 312.406,1236 855.604,1237 1151.16,1238 790,1239 286,1240 821.963,1241 374.031,1242 853.718,1243 1259.71,1244 800,1245 8.833}
{0 CHEMBL609101,1 1.92,2 16.75,3 0.01,5 154.06,6 9.186,7 0.551,8 4.397,9 4.491,10 4.212,11 3.838,12 5.659,13 3.887,14 4.907,15 5.019,16 4.559,17 4.235,18 6.35,19 4.277,20 5.154,21 5.3,22 4.641,23 4.337,24 6.53,25 4.364,26 5.24,27 5.408,28 4.668,29 4.318,30 6.734,31 4.346,32 5.204,33 5.387,34 4.645,35 4.285,36 6.555,37 4.3,38 5.166,39 5.33,40 4.624,41 4.224,42 6.704,43 4.27,44 5.112,45 5.272,46 4.497,47 4.168,48 6.617,49 4.208,50 5.023,51 5.186,52 4.443,53 4.162,54 6.421,55 4.187,56 0.473,57 1.136,58 12.929,59 5.465,60 64.243,61 5.231,62 1.175,63 1.719,64 20.252,65 9.224,66 116.229,67 9.592,68 1.613,69 1.98,70 33.184,71 11.882,72 174.026,73 12.809,74 2.019,75 2.036,76 38.385,77 11.84,78 246.828,79 13.039,80 1.829,81 1.972,82 41.419,83 11.557,84 189.971,85 12.692,86 1.92,87 1.855,88 42.006,89 10.774,90 249.358,91 11.457,92 1.908,93 1.73,94 34.028,95 9.681,96 225.663,97 10.091,98 1.404,99 1.685,100 29.536,101 9.05,102 173.431,103 9.995,104 65,105 73,106 0.296,107 0.697,108 0.815,109 0.889,110 0.916,111 0.921,112 3.81,113 0.87,114 -3.11,115 -3.1,116 -2.98,119 36.8,125 1,127 3,128 1,134 8,135 2,136 2,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 2,153 2,154 2,155 2,157 8,159 10,160 2,162 1,163 5,165 5,166 8,167 2,168 5,169 4,170 1,171 4,172 1,173 5,175 4,176 2,177 9,178 9,180 4,181 7,182 1,183 4,186 1,187 5,188 11,189 3,190 7,192 1,197 4,198 10,200 2,201 9,202 1,211 7,212 9,214 2,215 7,216 2,217 1,219 1,221 1,223 1,224 5,227 4,228 1,229 2,231 1,233 1,234 7,235 7,237 2,238 8,239 1,240 4,242 2,244 2,245 1,246 4442,247 29.154,248 29.154,249 29.154,250 29.154,251 29.154,252 25.498,253 30.205,254 16.554,255 29.782,256 24.111,257 24.111,258 24.111,259 24.111,260 24.111,261 18.518,262 33.461,263 7.807,264 25.283,265 4.167,266 1.568,267 0.805,268 0.324,269 0.147,270 0.118,271 4.513,276 1616,277 4.416,280 358.432,281 452.14,282 196.993,284 2.761,285 85.942,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 101,295 737,296 4.705,297 4.473,298 6.935,299 4.252,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.679,306 3.588,307 6.764,308 4.218,309 3.235,310 4.489,311 1.041,312 11.105,313 3.062,314 4.409,315 3.552,316 6.56,317 4.038,318 3.084,319 4.097,320 0.98,321 10.282,322 2.967,323 4.278,324 3.217,325 6.475,326 3.952,327 2.995,328 3.899,330 10.035,331 2.86,332 4.175,333 3.056,334 6.341,335 3.873,336 2.882,337 3.644,339 9.48,340 2.822,341 4.023,342 2.806,343 6.101,344 3.62,345 2.68,346 3.311,347 8.866,348 2.516,349 3.661,350 2.677,351 5.874,352 3.302,353 2.371,354 2.944,355 7.889,356 2.198,357 3.456,358 2.561,359 5.246,360 2.997,361 2.044,362 2.833,363 5.934,364 1.943,365 3.357,366 2.244,367 5.092,368 2.928,369 1.942,370 2.592,371 5.888,372 1.908,373 3.043,374 2.102,375 4.868,376 2.82,377 1.881,378 2.143,379 5.163,380 1.747,381 2.926,382 1.968,383 4.794,384 2.479,385 1.587,386 2.097,387 4.75,388 1.411,389 2.861,390 1.543,391 4.408,392 2.419,393 1.463,394 2.015,395 4.111,396 1.4,397 2.855,398 1.49,399 4.144,400 2.402,401 1.414,402 2.003,403 3.076,404 1.388,405 2.739,406 1.469,407 3.894,408 2.392,409 1.414,410 1.776,411 3.07,412 1.377,413 2.56,414 1.447,415 3.865,416 2.053,417 1.124,418 1.582,419 2.985,420 1.046,421 20,422 0.455,423 1.41,424 0.032,425 60.75,426 1.381,427 30,428 0.682,429 30.75,430 0.699,431 38.184,432 0.868,433 48.4,434 0.712,435 59.584,436 1.354,437 12.147,438 0.276,439 8.872,440 0.202,441 0.14,442 0.042,443 0.39,447 0.881,448 1.35,449 0.74,450 1.205,451 0.92,452 0.834,453 0.76,454 1.047,455 0.771,456 0.976,457 0.654,458 0.919,459 1,460 1.222,461 0.961,462 1.137,463 0.931,464 1.049,465 1.052,466 1.027,467 0.996,468 0.977,469 1.005,470 0.996,471 1.082,472 1.005,473 1.083,474 0.996,475 1.065,476 0.912,477 1.123,478 1.052,479 1.244,480 1.127,481 1.083,482 0.921,483 1.271,484 0.881,485 1.149,486 0.857,487 1.288,488 0.948,489 1.178,490 1.111,491 1.064,492 1.017,493 1.133,494 1.015,495 10,496 0.473,497 6.667,498 4.236,499 3.004,500 2.094,501 1.275,502 0.807,503 0.767,504 0.554,505 36724,506 126130,507 2.076,508 35.3,510 13,511 2,512 1,513 8,518 1.821,519 1.906,520 3.979,521 4.642,524 130.593,525 1.92,526 4.52,527 5.282,528 5.764,529 5.94,530 5.97,531 3.474,532 5.323,533 5.428,534 4.199,535 3972.07,536 9.608,537 74816.9,539 413.947,540 1.625,541 5.369,542 0.204,543 0.008,544 0.091,545 0.056,546 0.041,547 0.03,548 0.018,549 0.013,550 0.013,551 0.009,552 0.485,553 0.17,554 0.5,555 0.571,556 257.292,557 -0.119,558 -0.098,559 0.126,560 -0.063,561 -0.233,562 0.066,563 0.155,564 0.095,565 -0.001,566 0.009,567 0.106,568 -0.033,570 -0.196,571 -0.024,572 -0.124,573 -0.034,574 -0.093,575 0.033,576 -0.036,577 -0.01,578 -0.028,579 0.059,580 -0.064,581 -0.045,582 0.001,583 0.04,584 0.031,585 -0.083,586 0.05,587 0.016,588 -0.034,589 -0.081,590 -0.069,591 0.091,592 0.008,593 -0.079,594 0.108,595 -0.176,596 0.058,597 -0.073,598 -0.06,599 -0.166,600 -0.085,601 -0.12,602 -0.057,603 -0.11,604 -0.084,605 5.623,606 5.374,607 0.705,608 63.769,609 1.043,610 1.139,611 1.876,612 3.518,613 0.672,614 3.912,615 4.304,616 4.605,617 4.89,618 5.081,619 5.242,620 5.407,621 5.587,622 5.737,623 5.886,624 9.645,625 0.674,626 624.66,627 3.912,628 5.501,629 6.378,630 7.288,631 8.18,632 9.093,633 9.992,634 10.906,635 11.81,636 12.727,637 14.7,640 2,643 1,644 2,646 5,650 2,651 10,652 5,653 7,654 2,655 27,659 2,663 1,666 68,667 30,668 2,669 49,671 73,672 25,673 19,674 4,675 8,676 1,677 6,678 7,683 3,686 3,688 20,689 5,691 3,693 1,694 3,697 1,700 24,701 16,702 8,703 19,704 1,706 1,707 10,711 0.833,712 8,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 44,740 2,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 11.8,755 2,756 1,757 3,758 2,761 23.083,762 11.583,763 9.333,764 3.479,765 4.878,766 1.522,767 0.955,768 7.95,769 14.224,770 4.197,771 4.864,772 5.433,773 6.039,774 6.517,775 6.91,776 7.367,777 7.826,778 8.212,779 8.635,780 1,781 75,782 17.04,783 8.326,784 8.225,785 29.503,786 24.788,787 2.725,788 119.917,789 188.338,790 130.255,791 169.435,793 217.053,795 7.511,796 122.744,797 405.391,798 169.435,800 20.997,801 243.53,802 242.056,803 17.704,804 27.769,805 153.024,807 188.338,808 292.179,809 217.053,810 7.511,812 188.338,813 112.141,814 104.912,815 41.807,816 166.812,817 91.071,819 188.338,820 386.488,821 130.255,823 7.511,824 188.338,825 29.268,826 97.152,827 16.405,828 366.408,829 188.338,830 386.488,831 130.255,833 0.601,834 0.357,835 0.19,836 0.096,837 37,838 18,839 0.11,840 8,841 1,842 1.065,843 5.174,844 471.877,845 0.065,846 31,847 238.215,848 1,849 29.858,850 11.715,851 5.853,852 0.255,853 382.813,854 15.168,855 21.041,856 0.817,857 2.549,858 210.249,859 705.081,860 65.5,862 -4.706,863 37.021,866 -1.14,867 70.898,868 77.485,869 0.315,870 0.742,871 0.868,872 0.947,873 0.976,874 0.981,875 5.475,876 2.044,877 6.415,878 7.889,879 4.99,880 5.553,881 2.31,882 7.299,883 4.894,884 6.726,885 1.942,886 8.029,887 5.934,888 4.796,889 5.602,891 8.425,892 4.668,893 8.079,894 1.881,895 9.745,896 5.888,897 6.693,898 7.857,899 2.87,900 11.495,901 6.513,902 9.47,903 1.587,904 11.518,905 5.163,906 7.294,907 8.719,909 13.393,910 7.08,911 10.893,912 1.463,913 13.326,914 4.75,915 8.706,916 10.493,917 3.593,918 16.016,919 8.447,920 12.338,921 1.414,922 15.158,923 4.111,924 9.631,925 11.702,927 18.206,928 9.336,929 13.8,930 1.414,931 17.006,932 3.076,933 10.876,934 13.303,935 4.417,936 20.685,937 10.539,938 3.319,939 1.124,940 18.865,941 3.07,942 11.936,943 14.667,945 22.997,946 11.56,947 3.235,948 11.665,949 20.733,950 2.985,951 13.121,952 16.203,953 5.291,954 25.428,955 12.707,956 3.084,957 11.105,958 22.607,959 4.625,960 14.238,961 17.639,963 27.794,964 13.784,965 2.995,966 10.282,967 24.487,968 4.489,969 15.406,970 19.151,971 6.188,972 30.213,973 14.912,974 2.882,975 10.035,976 26.371,977 4.097,978 16.548,979 20.622,981 32.606,982 16.015,983 2.68,984 9.48,985 28.259,986 3.899,987 17.712,988 22.128,989 7.095,990 35.024,991 17.14,992 2.371,993 8.866,994 30.149,995 3.644,996 18.868,997 23.618,999 37.433,1000 18.256,1001 34149,1002 63576,1003 32.134,1004 45.67,1005 75.932,1006 77.997,1007 78.557,1008 75.189,1009 75.169,1010 99.244,1011 7.2,1012 229.984,1013 71.464,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 26.167,1024 1.55,1025 1.592,1026 1.603,1027 1.534,1028 1.534,1029 2.025,1030 0.147,1031 4.694,1032 1.458,1033 4.139,1034 4.191,1035 4.71,1036 3.954,1037 7.725,1038 3.981,1039 3.989,1040 4.011,1041 4.116,1042 3.882,1043 7.428,1044 3.872,1045 3.969,1046 3.977,1047 3.931,1048 3.858,1049 6.999,1050 3.863,1051 3.855,1052 3.857,1053 3.855,1054 3.764,1055 6.495,1056 3.692,1057 3.774,1058 3.782,1059 3.737,1060 3.591,1061 6.468,1062 3.586,1063 3.68,1064 3.717,1065 3.633,1066 3.466,1067 6.4,1068 3.499,1069 3.303,1070 3.382,1071 3.232,1072 3.063,1073 5.292,1074 3.093,1075 3.2,1076 3.224,1077 3.17,1078 2.982,1079 5.137,1080 3.004,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.252,1093 0.065,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.912,1100 1.886,1101 2.012,1102 2.041,1103 1.172,1104 2.012,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.099,1110 2.006,1111 1.811,1112 1.765,1113 1.847,1114 1.992,1115 1.065,1116 1.976,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 1,1122 1.869,1123 1.558,1124 1.535,1125 1.653,1126 1.814,1127 0.783,1128 1.782,1129 1.442,1130 1.42,1131 1.478,1132 1.683,1133 0.581,1134 1.68,1135 1.358,1136 1.308,1137 1.363,1138 1.586,1139 0.553,1140 1.546,1141 1.141,1142 1.085,1143 1.317,1144 1.417,1145 0.406,1146 1.391,1147 4.595,1149 5.969,1150 3.434,1151 7.52,1152 5.82,1153 9.151,1154 7.934,1155 10.824,1161 12.165,1162 31.185,1163 -0.78,1164 1.655,1165 10.559,1166 -5.871,1170 45.807,1171 130.593,1172 307.344,1173 359.193,1174 391.947,1175 403.947,1176 405.947,1177 118.807,1178 9.346,1179 268.74,1180 277.12,1181 33,1182 13.24,1183 4.954,1184 4.129,1185 66.278,1186 253,1187 254,1188 0.124,1189 279.206,1190 476.91,1191 673.023,1192 196474,1194 31.173,1195 0.708,1196 0.527,1197 31.423,1198 23.183,1199 21.02,1200 0.429,1201 0.29,1202 12.62,1203 19.067,1204 12.41,1205 10.156,1206 21.873,1207 14.217,1208 20.224,1209 0.277,1210 0.15,1211 21.533,1212 10.95,1213 17.226,1214 0.174,1215 0.077,1216 18.073,1217 7.619,1218 14.551,1219 0.11,1220 0.04,1221 15.402,1222 5.256,1223 10.899,1224 0.068,1225 0.021,1226 11.648,1227 3.406,1228 0.2,1229 143.883,1230 0.176,1231 39.065,1232 0.33,1233 244,1234 886.46,1235 318.045,1236 856.894,1237 1154.41,1238 790,1239 294,1240 827.695,1241 381.698,1242 860.971,1243 1272.02,1244 807,1245 9.114}
{0 CHEMBL609102,1 2.018,2 12.8,3 -0.528,4 0.697,5 114.081,6 9.76,7 0.421,8 4.14,9 4.222,10 4.014,11 3.531,12 5.479,13 3.604,14 4.652,15 4.752,16 4.334,17 3.914,18 6.196,19 3.981,20 4.904,21 5.035,22 4.439,23 4.03,24 6.347,25 4.086,26 4.999,27 5.149,28 4.479,29 4.023,30 6.592,31 4.08,32 4.96,33 5.12,34 4.493,35 4.007,36 6.425,37 4.053,38 4.941,39 5.072,40 4.47,41 3.941,42 6.666,43 4.024,44 4.902,45 5.058,46 4.242,47 3.835,48 6.593,49 3.892,50 4.709,51 4.886,52 4.052,53 3.709,54 6.227,55 3.722,56 0.476,57 0.851,58 9.148,59 4.029,60 75.062,61 3.484,62 1.139,63 1.241,64 14.236,65 6.903,66 128.352,67 6.566,68 1.623,69 1.403,70 25.043,71 8.904,72 197.658,73 8.901,74 1.941,75 1.415,76 28.762,77 8.801,78 263.444,79 8.979,80 1.746,81 1.382,82 31.677,83 8.831,84 213.324,85 9.035,86 1.806,87 1.297,88 31.698,89 8.137,90 269.806,91 7.684,92 1.867,93 1.166,94 26.889,95 7.117,96 272.146,97 6.886,98 1.356,99 1.006,100 22.88,101 6.332,102 230.174,103 7.156,104 67,105 56,106 0.331,107 0.753,108 0.858,109 0.905,110 0.917,111 0.917,112 3.589,113 0.877,114 -2.23,115 -2.27,116 -2.24,119 32.7,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,150 1,151 1,152 1,153 1,154 1,156 1,157 4,158 1,159 9,160 1,161 1,162 1,163 5,165 3,166 4,168 3,169 1,170 3,171 4,172 1,173 3,175 2,177 8,178 5,179 2,180 2,181 5,182 1,183 3,187 4,188 4,189 3,190 6,192 1,197 1,198 6,199 2,200 2,201 9,202 1,205 2,210 1,211 6,212 4,213 1,215 4,216 2,218 2,219 2,222 1,224 1,226 1,227 2,228 1,229 1,230 1,231 1,234 8,235 3,236 1,237 1,238 6,240 2,246 2213,247 22.991,248 22.991,249 22.991,250 22.991,251 22.991,252 20.104,253 23.417,254 13.214,255 23.549,256 18.65,257 18.65,258 18.65,259 18.65,260 18.65,261 14.442,262 23.997,263 6.125,264 19.693,265 3.683,266 1.118,267 0.476,268 0.192,269 0.115,270 0.115,271 4.274,276 958,277 4.416,280 182.115,281 237.356,282 157.072,284 1.943,285 78.432,286 0.25,287 0.5,288 0.5,289 0.1,291 0.33,292 0.5,293 0.31,294 82.5,295 448,296 4.728,297 4.473,298 7.076,299 4.294,300 3.371,301 4.671,302 1.579,303 12.226,304 3.209,305 4.704,306 3.619,307 6.765,308 4.227,309 3.237,310 4.489,311 1.041,312 11.106,313 3.1,314 4.278,315 3.554,316 6.549,317 3.957,318 3.02,319 3.899,320 0.98,321 10.186,322 2.859,323 4.143,324 3.203,325 6.341,326 3.872,327 2.882,328 3.446,330 9.48,331 2.811,332 3.816,333 2.677,334 6.019,335 3.419,336 2.491,337 3.04,339 8.328,340 2.306,341 3.415,342 2.65,343 5.353,344 2.963,345 2.031,346 2.734,347 6.321,348 1.914,349 3.357,350 2.298,351 5.102,352 2.914,353 1.925,354 2.592,355 5.661,356 1.863,357 3.045,358 2.164,359 4.867,360 2.774,361 1.849,362 2.233,363 5.162,364 1.703,365 3.026,366 1.908,367 4.758,368 2.469,369 1.581,370 2.107,371 4.667,372 1.396,373 2.861,374 1.543,375 4.19,376 2.392,377 1.434,378 2.015,379 3.496,380 1.377,381 2.794,382 1.469,383 3.896,384 2.352,385 1.414,386 1.815,387 3.07,388 1.313,389 2.597,390 1.454,391 3.714,392 2.051,393 1.046,394 1.577,395 2.616,396 1.045,397 2.549,398 1.311,399 3.604,400 1.979,401 1.014,402 1.511,403 2.229,404 0.975,405 2.101,406 1.159,407 3.436,408 1.683,409 0.788,410 0.998,411 1.713,412 0.703,413 1.773,414 0.949,415 3.178,416 1.553,417 0.69,418 0.729,419 1.682,420 0.59,421 15.6,422 0.446,423 1.133,424 0.032,425 46.5,426 1.329,427 22,428 0.629,429 24.5,430 0.7,431 29.043,432 0.83,433 39.6,434 0.762,435 44.398,436 1.269,437 9.474,438 0.271,439 7.151,440 0.204,441 0.179,442 0.053,443 0.378,447 0.907,448 1.464,449 0.741,450 1.356,451 0.873,452 0.873,453 0.785,454 0.957,455 0.788,456 0.981,457 0.638,458 0.939,459 1.036,460 1.181,461 0.974,462 1.158,463 0.908,464 1.059,465 1.068,466 0.95,467 1.008,468 0.966,469 0.979,470 0.999,471 1.059,472 1,473 1.066,474 1.047,475 1.042,476 0.904,477 1.136,478 1.068,479 1.357,480 1.296,481 1.125,482 1.052,483 1.304,484 0.779,485 1.285,486 0.876,487 1.358,488 1.072,489 1.17,490 1.002,491 1.116,492 1.063,493 1.325,494 1.139,495 8,496 0.329,497 5.111,498 4.118,499 2.581,500 1.869,501 1.195,502 0.66,503 0.463,504 0.353,505 17498,506 71914,507 2.001,508 32.7,510 9,511 1,512 1,513 6,518 1.768,519 1.818,520 3.59,521 3.333,524 104.92,525 2.018,526 4.582,527 5.224,528 5.508,529 5.585,530 5.585,531 3.014,532 4.936,533 5.102,534 3.824,535 2275.35,536 8.962,537 35478.8,539 296.423,540 1.691,541 5.023,542 0.211,543 0.009,544 0.091,545 0.07,546 0.044,547 0.033,548 0.021,549 0.015,550 0.013,551 0.01,552 0.517,553 0.17,554 0.75,555 0.926,556 189.099,557 -0.153,558 -0.166,559 0.134,560 -0.129,561 -0.195,562 0.047,563 0.129,564 0.191,565 -0.029,566 0.027,567 0.107,568 -0.044,569 -0.036,570 -0.168,571 -0.026,572 -0.112,573 -0.054,574 -0.075,575 -0.004,576 0.006,577 -0.017,578 0.002,579 0.029,580 -0.045,581 -0.037,582 -0.024,583 0.081,584 0.038,585 -0.087,586 0.094,587 -0.015,588 -0.064,589 -0.196,590 -0.184,591 0.044,592 -0.128,593 -0.154,594 0.136,595 -0.29,596 0.023,597 -0.114,598 -0.168,599 -0.164,600 -0.086,601 -0.058,602 -0.068,603 -0.188,604 -0.109,605 5.625,606 5.196,607 0.571,608 37.074,609 1.06,610 1.149,611 0.997,612 0.994,613 0.661,614 3.664,615 4.043,616 4.331,617 4.625,618 4.828,619 4.963,620 5.075,621 5.182,622 5.198,623 5.209,624 7.705,625 0.677,626 507.5,627 3.664,628 5.242,629 6.111,630 7.024,631 7.916,632 8.835,633 9.737,634 10.659,635 11.568,636 12.492,637 17.3,640 1,643 1,644 1,646 3,648 1,649 1,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,666 52,667 21,668 1,669 38,671 55,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 5,693 1,694 3,696 1,697 1,700 17,701 15,702 6,703 18,704 1,706 1,707 9,708 1,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 35,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 15.4,755 2,756 1,757 3,758 2,761 19.25,762 8.85,763 7.611,764 2.582,765 3.19,766 1.397,767 0.898,768 6.868,769 11.223,770 3.951,771 4.593,772 5.11,773 5.718,774 6.205,775 6.559,776 6.921,777 7.224,778 7.308,779 7.448,780 1,781 59,782 13.678,783 6.788,784 8.498,785 22.845,786 18.846,787 2.998,788 104.917,789 129.482,790 74.604,791 165.086,793 217.053,795 7.511,796 67.093,797 346.535,798 165.086,800 20.997,801 163.68,802 220.624,803 15.847,804 14.901,805 151.894,807 129.482,808 232.178,809 217.053,810 7.511,812 164.795,813 112.141,814 104.912,815 46.528,816 83.777,817 74.653,819 129.482,820 382.139,821 74.604,823 7.511,824 129.482,825 20.569,826 48.423,827 16.405,828 363.835,829 129.482,830 382.139,831 74.604,833 0.593,834 0.352,835 0.192,836 0.105,837 27,838 14,839 0.127,840 7,841 1,842 1.1,843 4.347,844 338.098,845 0.1,846 20,847 177.525,848 1,849 24.751,850 9.712,851 4.896,852 0.051,853 364.924,854 6.325,855 11.767,856 -1.128,857 1.065,858 177.352,859 586.225,860 51,862 -4.709,863 36.52,865 3.409,866 -1.157,867 55.145,868 59.741,869 0.354,870 0.804,871 0.916,872 0.966,873 0.98,874 0.98,875 5.226,876 1.849,877 6.155,878 5.661,879 4.727,880 5.281,881 2.31,882 7.052,883 4.618,884 6.475,885 1.581,886 7.778,887 5.162,888 4.575,889 5.38,891 8.241,892 4.441,893 7.833,894 1.434,895 9.506,896 4.667,897 6.444,898 7.594,899 2.87,900 11.314,901 6.242,902 9.229,903 1.414,904 11.293,905 3.496,906 7.083,907 8.506,909 13.277,910 6.852,911 10.66,912 1.046,913 13.117,914 3.07,915 8.489,916 10.267,917 3.593,918 15.925,919 8.202,920 12.114,921 1.014,922 14.965,923 2.616,924 9.448,925 11.523,927 18.179,928 9.125,929 13.586,930 0.788,931 16.829,932 2.229,933 10.699,934 13.128,935 4.417,936 20.696,937 10.325,938 3.371,939 0.69,940 18.706,941 1.713,942 11.788,943 14.531,945 23.07,946 11.372,947 3.237,948 12.226,949 20.592,950 1.682,951 12.987,952 16.079,953 5.291,954 25.548,955 12.523,956 3.02,957 11.106,958 22.485,959 4.671,960 14.129,961 17.546,963 27.974,964 13.619,965 2.882,966 10.186,967 24.384,968 4.489,969 15.314,970 19.075,971 6.188,972 30.444,973 14.756,974 2.491,975 9.48,976 26.288,977 3.899,978 16.479,979 20.572,981 32.897,982 15.875,983 2.031,984 8.328,985 28.197,986 3.446,987 17.662,988 22.095,989 7.095,990 35.368,991 17.01,992 1.925,993 6.321,994 30.109,995 3.04,996 18.839,997 23.606,999 37.835,1000 18.139,1001 16893,1002 34438,1003 24.274,1004 34.381,1005 58.212,1006 60.518,1007 61.273,1008 57.537,1009 57.65,1010 75.822,1011 7.2,1012 176.112,1013 54.414,1014 5.706,1015 6.473,1016 6.839,1017 5.41,1018 5.371,1019 7.671,1020 3.158,1021 19.955,1022 5.209,1023 22.232,1024 1.532,1025 1.593,1026 1.612,1027 1.514,1028 1.517,1029 1.995,1030 0.189,1031 4.635,1032 1.432,1033 4.12,1034 4.169,1035 4.709,1036 3.928,1037 7.725,1038 3.957,1039 3.988,1040 3.976,1041 4.1,1042 3.876,1043 7.428,1044 3.864,1045 3.855,1046 3.849,1047 3.856,1048 3.764,1049 6.999,1050 3.689,1051 3.753,1052 3.742,1053 3.711,1054 3.578,1055 6.728,1056 3.57,1057 3.462,1058 3.56,1059 3.445,1060 3.137,1061 6.495,1062 3.196,1063 3.234,1064 3.3,1065 3.177,1066 2.994,1067 6.468,1068 3.021,1069 3.155,1070 3.198,1071 3.128,1072 2.893,1073 6.4,1074 2.908,1075 3.053,1076 3.091,1077 2.95,1078 2.746,1079 5.268,1080 2.767,1081 0.124,1082 0.118,1083 0.186,1084 0.113,1085 0.089,1086 4.728,1087 0.123,1088 4.473,1089 0.042,1090 7.076,1091 0.322,1092 4.294,1093 0.084,1094 3.371,1095 4.671,1096 1.579,1097 12.226,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.01,1103 1.172,1104 2.006,1105 1.797,1106 1.751,1107 1.847,1108 2.004,1109 1.065,1110 1.966,1111 1.646,1112 1.676,1113 1.777,1114 1.859,1115 0.997,1116 1.869,1117 1.565,1118 1.537,1119 1.639,1120 1.843,1121 0.757,1122 1.791,1123 1.453,1124 1.432,1125 1.36,1126 1.698,1127 0.568,1128 1.691,1129 1.202,1130 1.14,1131 1.317,1132 1.563,1133 0.384,1134 1.498,1135 1.029,1136 1.032,1137 1.153,1138 1.328,1139 0.199,1140 1.284,1141 0.891,1142 0.839,1143 1.142,1144 1.259,1145 0.12,1146 1.233,1147 4.344,1149 5.707,1150 3.045,1151 7.255,1152 5.533,1153 8.887,1154 7.727,1155 10.565,1161 5.758,1162 30.627,1163 -0.821,1164 1.609,1165 10.29,1166 -6.178,1170 35.205,1171 104.92,1172 238.284,1173 271.668,1174 286.423,1175 290.423,1176 290.423,1177 110.727,1178 8.033,1179 260.77,1180 269.15,1181 22,1182 13.001,1183 4.459,1184 3.807,1185 59.554,1186 163,1187 159,1188 0.178,1189 219.242,1190 381.95,1191 526.711,1192 36777,1194 25.328,1195 0.724,1196 0.521,1197 25.578,1198 18.233,1199 16.625,1200 0.438,1201 0.292,1202 9.535,1203 14.722,1204 9.388,1205 7.658,1206 17.479,1207 11.108,1208 15.785,1209 0.282,1210 0.152,1211 17.095,1212 8.497,1213 13.044,1214 0.174,1215 0.078,1216 13.891,1217 5.86,1218 10.993,1219 0.109,1220 0.04,1221 11.844,1222 4.078,1223 8.391,1224 0.068,1225 0.022,1226 9.14,1227 2.703,1228 0.281,1229 117.162,1230 0.203,1231 32.114,1232 0.483,1233 188,1234 785.44,1235 258.631,1236 752.949,1237 987.71,1238 690,1239 225,1240 675.511,1241 307.619,1242 706.118,1243 1039.21,1244 659,1245 4.372}
{0 CHEMBL609103,1 1.962,2 16.548,3 -0.558,4 0.311,5 140.499,6 9.317,7 0.457,8 4.354,9 4.438,10 4.178,11 3.739,12 5.626,13 3.807,14 4.884,15 4.997,16 4.519,17 4.115,18 6.366,19 4.181,20 5.102,21 5.245,22 4.598,23 4.202,24 6.529,25 4.258,26 5.162,27 5.309,28 4.632,29 4.197,30 6.732,31 4.254,32 5.116,33 5.276,34 4.597,35 4.198,36 6.508,37 4.229,38 5.135,39 5.286,40 4.616,41 4.169,42 6.733,43 4.227,44 5.102,45 5.265,46 4.455,47 4.101,48 6.599,49 4.15,50 4.98,51 5.133,52 4.413,53 4.053,54 6.451,55 4.096,56 0.542,57 1.038,58 12.089,59 5.168,60 71.209,61 5.006,62 1.415,63 1.537,64 21.162,65 8.555,66 139.249,67 8.975,68 1.887,69 1.701,70 33.275,71 10.515,72 200.942,73 11.471,74 2.212,75 1.718,76 35.178,77 10.284,78 271.715,79 10.987,80 1.885,81 1.711,82 36.762,83 10.35,84 210.589,85 11.127,86 2.04,87 1.682,88 39.631,89 9.893,90 264.073,91 10.866,92 2.055,93 1.558,94 34.46,95 9.096,96 244.117,97 10.059,98 1.59,99 1.457,100 28.265,101 8.343,102 195.885,103 9.562,104 85,105 68,106 0.307,107 0.73,108 0.858,109 0.903,110 0.913,111 0.913,112 3.765,113 0.881,114 -2.74,115 -2.75,116 -2.67,119 33.8,120 1,125 2,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 2,149 1,150 1,152 1,153 1,154 1,155 2,157 4,159 11,160 2,162 1,163 5,165 3,166 4,168 7,169 1,170 1,171 4,172 1,173 3,175 2,177 13,178 6,180 3,181 6,182 1,183 3,187 5,188 5,189 1,190 5,192 1,197 8,198 8,200 2,201 9,202 1,211 7,212 4,215 5,216 2,219 1,223 3,224 3,226 2,227 6,228 1,229 1,231 1,234 9,235 3,237 1,238 7,240 2,246 3956,247 27.662,248 27.662,249 27.662,250 27.662,251 27.662,252 24.656,253 31.385,254 15.786,255 28.468,256 22.582,257 22.582,258 22.582,259 22.582,260 22.582,261 17.8,262 34.222,263 7.356,264 23.912,265 4.06,266 1.363,267 0.546,268 0.258,269 0.196,270 0.196,271 4.458,276 1491,277 4.848,280 350.591,281 288.919,282 191.379,284 2.69,285 91.466,286 0.25,287 0.33,288 0.33,289 0.3,291 0.33,292 0.5,293 0.29,294 98.5,295 695,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.674,303 11.665,304 3.209,305 4.678,306 3.663,307 6.764,308 4.217,309 3.235,310 4.489,311 1.579,312 11.105,313 3.06,314 4.314,315 3.588,316 6.557,317 3.999,318 3.064,319 3.943,320 1.041,321 10.254,322 2.867,323 4.278,324 3.552,325 6.341,326 3.876,327 2.901,328 3.899,329 0.98,330 9.481,331 2.845,332 4.142,333 3.2,334 6.229,335 3.852,336 2.879,337 3.381,339 9.324,340 2.764,341 3.86,342 2.875,343 5.937,344 3.483,345 2.546,346 3.173,347 8.228,348 2.373,349 3.635,350 2.677,351 5.839,352 3.28,353 2.346,354 2.907,355 7.81,356 2.18,357 3.357,358 2.568,359 5.246,360 2.928,361 1.942,362 2.592,363 5.917,364 1.908,365 3.169,366 2.244,367 4.868,368 2.821,369 1.882,370 2.41,371 5.163,372 1.747,373 3.042,374 2.028,375 4.794,376 2.655,377 1.729,378 2.12,379 4.753,380 1.591,381 2.861,382 1.967,383 4.569,384 2.477,385 1.586,386 2.015,387 4.682,388 1.405,389 2.749,390 1.8,391 4.147,392 2.392,393 1.414,394 1.79,395 3.243,396 1.377,397 2.628,398 1.543,399 4.024,400 2.183,401 1.277,402 1.651,403 3.07,404 1.15,405 2.55,406 1.469,407 3.894,408 2.051,409 1.063,410 1.511,411 2.959,412 1.045,413 2.399,414 1.319,415 3.636,416 1.978,417 1.045,418 1.367,419 2.615,420 0.966,421 18.767,422 0.447,423 1.359,424 0.032,425 54.75,426 1.304,427 25,428 0.595,429 29.75,430 0.708,431 37.763,432 0.899,433 47.833,434 0.736,435 54.937,436 1.308,437 11.007,438 0.262,439 8.979,440 0.214,441 0.172,442 0.044,443 0.389,447 0.876,448 1.533,449 0.726,450 1.371,451 0.857,452 0.924,453 0.804,454 1.057,455 0.763,456 0.967,457 0.644,458 0.894,459 1.031,460 1.174,461 0.935,462 1.082,463 0.92,464 0.97,465 1.081,466 0.948,467 1.007,468 0.931,469 1.107,470 0.955,471 1.082,472 1.098,473 1.104,474 1.071,475 1.118,476 0.958,477 0.987,478 1.056,479 1.237,480 1.181,481 0.989,482 0.984,483 1.188,484 0.916,485 1.133,486 0.888,487 1.185,488 0.974,489 1.067,490 1.107,491 1.032,492 1.076,493 1.065,494 1.064,495 10,496 0.454,497 6.444,498 3.986,499 2.987,500 1.976,501 1.269,502 0.866,503 0.727,504 0.533,505 30881,506 117279,507 2.026,508 35.4,510 11,511 2,512 1,513 6,515 3,518 1.811,519 1.846,520 3.958,521 3.112,524 127.556,525 1.962,526 4.66,527 5.476,528 5.765,529 5.826,530 5.826,531 3.491,532 5.297,533 5.36,534 4.157,535 3579.52,536 9.475,537 65099.4,539 391.454,540 1.663,541 5.292,542 0.217,543 0.009,544 0.095,545 0.057,546 0.043,547 0.03,548 0.019,549 0.015,550 0.013,551 0.01,552 0.508,553 0.17,554 0.63,555 0.99,556 242.262,557 -0.127,558 -0.229,559 0.135,560 -0.16,561 -0.197,562 0.012,563 0.119,564 0.085,565 0.034,566 0.029,567 0.108,568 0.011,569 -0.028,570 -0.151,571 0.024,572 -0.066,573 -0.029,574 -0.007,575 0.001,576 0.056,577 -0.032,578 0.025,579 0.007,580 -0.043,581 -0.105,582 -0.06,583 -0.008,584 0.002,585 -0.13,586 0.01,587 0.045,588 -0.004,589 -0.11,590 -0.108,591 0.089,592 -0.054,593 -0.122,594 0.064,595 -0.163,596 0.027,597 -0.092,598 -0.058,599 -0.088,600 -0.077,601 -0.089,602 -0.102,603 -0.065,604 -0.12,605 5.635,606 5.322,607 0.595,608 58.902,609 1.053,610 1.145,611 1.507,612 2.272,613 0.655,614 3.85,615 4.234,616 4.522,617 4.796,618 4.977,619 5.153,620 5.303,621 5.489,622 5.62,623 5.746,624 9.343,625 0.665,626 605.61,627 3.85,628 5.434,629 6.304,630 7.212,631 8.1,632 9.012,633 9.909,634 10.823,635 11.726,636 12.642,637 13.8,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,658 1,659 1,663 1,666 65,667 25,668 1,669 46,671 69,672 22,673 13,674 2,675 4,676 2,677 5,678 6,681 1,683 3,686 3,688 15,689 7,691 4,693 1,694 4,697 2,700 23,701 17,702 6,703 20,704 1,706 1,707 9,711 0.8,712 10,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 42,740 1,742 1,743 3,744 2,745 1,746 3,747 4,751 1,754 15.4,755 2,756 1,757 4,758 2,759 1,761 22.75,762 11.5,763 9.056,764 3.499,765 3.795,766 1.426,767 0.916,768 8.401,769 12.696,770 4.119,771 4.762,772 5.308,773 5.896,774 6.348,775 6.77,776 7.194,777 7.652,778 7.998,779 8.359,780 1,781 70,782 16.347,783 7.984,784 8.363,785 27.836,786 22.926,787 2.863,788 120.25,789 200.109,790 107.017,791 136.538,793 253.198,795 7.511,796 99.506,797 453.307,798 136.538,799 8.825,800 25.59,801 172.728,802 274.393,803 22.762,804 27.769,805 164.795,807 200.109,808 236.044,809 253.198,810 7.511,812 164.795,813 183.599,814 104.912,815 55.225,816 97.259,817 91.071,819 200.109,820 389.736,821 107.017,823 7.511,824 200.109,825 35.11,826 68.072,827 16.405,828 369.655,829 200.109,830 389.736,831 107.017,833 0.597,834 0.353,835 0.186,836 0.094,837 33,838 17,839 0.145,840 10,841 1,842 1.08,843 4.969,844 434.016,845 0.08,846 25,847 224.477,848 1,849 29.742,850 11.863,851 6.088,852 0.134,853 386.06,854 7.678,855 20.047,856 -1.091,857 2.285,858 177.352,859 696.862,860 60.5,862 -4.718,863 48.809,866 -1.869,867 68.451,868 74.405,869 0.326,870 0.774,871 0.909,872 0.957,873 0.967,874 0.967,875 5.399,876 1.942,877 6.344,878 7.81,879 4.92,880 5.451,881 2.753,882 7.226,883 4.81,884 6.646,885 1.882,886 7.959,887 5.917,888 4.745,889 5.545,891 8.36,892 4.614,893 8,894 1.729,895 9.675,896 5.163,897 6.624,898 7.749,899 3.507,900 11.419,901 6.423,902 9.393,903 1.586,904 11.449,905 4.753,906 7.238,907 8.653,909 13.318,910 7.012,911 10.818,912 1.414,913 13.257,914 4.682,915 8.639,916 10.394,917 4.387,918 15.938,919 8.355,920 12.264,921 1.277,922 15.087,923 3.243,924 9.571,925 11.631,927 18.129,928 9.256,929 13.728,930 1.063,931 16.934,932 3.07,933 10.809,934 13.215,935 5.33,936 20.608,937 10.445,938 3.319,939 1.045,940 18.791,941 2.959,942 11.872,943 14.598,945 22.923,946 11.472,947 3.235,948 11.665,949 20.658,950 2.615,951 13.056,952 16.127,953 6.301,954 25.357,955 12.61,956 3.064,957 11.105,958 22.531,959 4.625,960 14.175,961 17.575,963 27.727,964 13.69,965 2.901,966 10.254,967 24.41,968 4.489,969 15.342,970 19.086,971 7.285,972 30.149,973 14.815,974 2.879,975 9.481,976 26.293,977 3.943,978 16.486,979 20.565,981 32.547,982 15.919,983 2.546,984 9.324,985 28.181,986 3.899,987 17.651,988 22.073,989 8.276,990 34.969,991 17.043,992 2.346,993 8.228,994 30.071,995 3.381,996 18.808,997 23.568,999 37.383,1000 18.16,1001 29442,1002 57615,1003 29.649,1004 42.574,1005 70.967,1006 73.918,1007 73.753,1008 70.251,1009 70.249,1010 91.019,1011 10.549,1012 214,1013 66.287,1014 5.683,1015 6.473,1016 6.704,1017 5.368,1018 5.319,1019 7.625,1020 3.349,1021 19.383,1022 5.209,1023 27.133,1024 1.543,1025 1.607,1026 1.603,1027 1.527,1028 1.527,1029 1.979,1030 0.229,1031 4.652,1032 1.441,1033 4.133,1034 4.185,1035 4.71,1036 3.936,1037 7.725,1038 3.967,1039 3.989,1040 3.977,1041 4.111,1042 3.878,1043 7.433,1044 3.864,1045 3.888,1046 3.938,1047 3.862,1048 3.764,1049 7.427,1050 3.704,1051 3.842,1052 3.837,1053 3.852,1054 3.636,1055 6.999,1056 3.662,1057 3.742,1058 3.736,1059 3.701,1060 3.56,1061 6.495,1062 3.562,1063 3.512,1064 3.572,1065 3.393,1066 3.27,1067 6.468,1068 3.275,1069 3.314,1070 3.39,1071 3.225,1072 3.072,1073 6.4,1074 3.102,1075 3.204,1076 3.227,1077 3.17,1078 2.984,1079 5.285,1080 3.008,1081 0.102,1082 0.097,1083 0.151,1084 0.092,1085 0.072,1086 4.705,1087 0.101,1088 4.473,1089 0.036,1090 6.935,1091 0.254,1092 4.251,1093 0.07,1094 3.319,1095 4.625,1096 1.674,1097 11.665,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.038,1103 1.172,1104 2.006,1105 1.816,1106 1.77,1107 1.851,1108 2.005,1109 1.065,1110 1.986,1111 1.646,1112 1.676,1113 1.809,1114 1.858,1115 1.001,1116 1.869,1117 1.567,1118 1.543,1119 1.778,1120 1.82,1121 0.94,1122 1.795,1123 1.54,1124 1.514,1125 1.655,1126 1.794,1127 0.79,1128 1.777,1129 1.442,1130 1.419,1131 1.535,1132 1.683,1133 0.608,1134 1.68,1135 1.396,1136 1.329,1137 1.365,1138 1.608,1139 0.564,1140 1.596,1141 1.169,1142 1.104,1143 1.318,1144 1.518,1145 0.406,1146 1.448,1147 4.533,1149 5.9,1150 3.434,1151 7.442,1152 5.82,1153 9.065,1154 7.934,1155 10.731,1157 1.629,1161 6.027,1162 31.007,1163 -0.677,1164 1.633,1165 15.343,1166 -5.987,1170 43.215,1171 127.556,1172 302.871,1173 355.944,1174 374.699,1175 378.699,1176 378.699,1177 129.229,1178 8.901,1179 269.02,1180 277.4,1181 27,1182 13.156,1183 4.7,1184 3.954,1185 69.041,1186 233,1187 261,1188 0.141,1189 264.876,1190 460.13,1191 638.056,1192 111370,1194 30.181,1195 0.719,1196 0.531,1197 30.431,1198 22.32,1199 19.985,1200 0.434,1201 0.294,1202 11.87,1203 17.854,1204 11.671,1205 9.542,1206 20.839,1207 13.505,1208 19.065,1209 0.28,1210 0.148,1211 20.374,1212 10.083,1213 15.991,1214 0.176,1215 0.075,1216 16.839,1217 6.866,1218 13.325,1219 0.111,1220 0.039,1221 14.176,1222 4.701,1223 9.735,1224 0.068,1225 0.021,1226 10.483,1227 3.017,1228 0.227,1229 138.873,1230 0.184,1231 37.612,1232 0.376,1233 228,1234 924.619,1235 306.886,1236 874.876,1237 1163.15,1238 806,1239 273,1240 818.941,1241 364.793,1242 843.963,1243 1249.01,1244 790,1245 8.5}
{0 CHEMBL609105,1 1.892,2 16.024,3 0.762,4 0.581,5 145.788,6 8.72,7 0.447,8 4.401,9 4.498,10 4.183,11 3.833,12 5.585,13 3.869,14 4.964,15 5.093,16 4.531,17 4.258,18 6.323,19 4.278,20 5.235,21 5.414,22 4.586,23 4.348,24 6.505,25 4.342,26 5.269,27 5.461,28 4.622,29 4.292,30 6.696,31 4.307,32 5.181,33 5.365,34 4.599,35 4.249,36 6.499,37 4.262,38 5.148,39 5.31,40 4.59,41 4.201,42 6.677,43 4.243,44 5.122,45 5.287,46 4.461,47 4.165,48 6.586,49 4.195,50 5.044,51 5.215,52 4.395,53 4.166,54 6.387,55 4.171,56 0.429,57 1.127,58 14.841,59 5.815,60 57.666,61 6.37,62 1.184,63 1.753,64 25.226,65 10.237,66 120.196,67 11.959,68 1.666,69 1.988,70 42.038,71 13.135,72 176.193,73 16.426,74 2.059,75 1.959,76 45.536,77 11.821,78 241.815,79 14.967,80 1.743,81 1.866,82 42.688,83 10.651,84 167.836,85 12.764,86 1.85,87 1.771,88 42.95,89 10.181,90 235.113,91 11.888,92 1.87,93 1.693,94 36.675,95 9.365,96 214.518,97 11.052,98 1.361,99 1.656,100 32.75,101 9.293,102 163.013,103 11.555,104 50,105 70,106 0.293,107 0.693,108 0.828,109 0.879,110 0.888,111 0.888,112 3.765,113 0.923,114 -3.79,115 -3.75,116 -3.57,119 34.8,121 4,122 1,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 9,159 10,160 2,162 1,163 5,165 3,166 9,168 5,169 5,170 1,171 4,172 1,173 3,175 2,177 9,178 11,180 3,181 6,182 1,183 3,187 5,188 10,189 1,190 5,192 1,197 4,198 10,200 2,201 9,202 1,211 7,212 9,215 5,216 2,217 1,219 1,221 1,223 1,224 4,227 4,228 1,229 3,231 1,233 2,234 7,235 8,237 1,238 7,240 4,244 2,246 3914,247 27.947,248 27.947,249 27.947,250 27.947,251 27.947,252 25.056,253 31.893,254 15.896,255 28.558,256 23.144,257 23.144,258 23.144,259 23.144,260 23.144,261 18.599,262 35.819,263 7.513,264 24.283,265 4.217,266 1.64,267 0.765,268 0.435,269 0.377,270 0.377,271 4.469,276 1487,277 4.359,280 465.489,281 285.338,282 187.917,284 2.599,285 82.357,286 0.25,287 0.33,288 0.5,289 0.5,290 0.5,291 0.33,292 0.5,293 0.42,294 96.5,295 673,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.295,315 3.552,316 6.557,317 4.005,318 3.067,319 3.901,320 0.98,321 10.256,322 2.888,323 4.278,324 3.233,325 6.341,326 3.895,327 2.929,328 3.899,330 9.495,331 2.856,332 4.134,333 3.102,334 6.271,335 3.87,336 2.881,337 3.352,339 9.475,340 2.804,341 3.816,342 2.776,343 5.998,344 3.544,345 2.599,346 3.09,347 8.529,348 2.45,349 3.629,350 2.677,351 5.862,352 3.291,353 2.358,354 2.899,355 7.86,356 2.19,357 3.357,358 2.548,359 5.246,360 2.928,361 1.943,362 2.592,363 5.917,364 1.908,365 3.168,366 2.244,367 4.868,368 2.84,369 1.886,370 2.335,371 5.163,372 1.799,373 3.042,374 1.969,375 4.794,376 2.816,377 1.871,378 2.12,379 5.061,380 1.746,381 2.861,382 1.891,383 4.682,384 2.478,385 1.587,386 2.015,387 4.749,388 1.406,389 2.758,390 1.543,391 4.198,392 2.392,393 1.414,394 1.812,395 3.639,396 1.377,397 2.686,398 1.469,399 4.137,400 2.322,401 1.371,402 1.72,403 3.07,404 1.301,405 2.55,406 1.421,407 3.894,408 2.051,409 1.081,410 1.512,411 2.982,412 1.046,413 2.442,414 1.311,415 3.661,416 2.001,417 1.046,418 1.424,419 2.615,420 0.991,421 19.1,422 0.455,423 1.321,424 0.031,425 53,426 1.262,427 23.5,428 0.56,429 29.5,430 0.702,431 40.645,432 0.968,433 47.5,434 0.688,435 50.345,436 1.199,437 9.995,438 0.238,439 10.114,440 0.241,441 0.126,442 0.044,443 0.382,447 0.828,448 1.456,449 0.743,450 1.305,451 0.846,452 0.93,453 0.704,454 1.086,455 0.784,456 1.037,457 0.595,458 0.996,459 0.897,460 1.195,461 0.912,462 1.127,463 0.826,464 1.053,465 1.026,466 0.954,467 0.915,468 0.87,469 0.961,470 0.869,471 1.143,472 1.046,473 1.1,474 0.992,475 1.091,476 0.899,477 1.143,478 1.073,479 1.243,480 1.144,481 1.114,482 0.926,483 1.299,484 0.941,485 1.161,486 0.878,487 1.314,488 0.968,489 1.151,490 1.113,491 1.079,492 1.055,493 1.114,494 1.068,495 9.5,496 0.402,497 6.222,498 3.639,499 2.917,500 1.896,501 1.158,502 0.822,503 0.701,504 0.494,505 32667,506 103442,507 2.094,508 39.1,509 8,510 9,511 2,512 1,513 6,514 1,518 1.81,519 1.931,520 3.926,521 3.064,524 130.538,525 1.892,526 4.469,527 5.344,528 5.674,529 5.732,530 5.732,531 3.419,532 5.202,533 5.361,534 4.143,535 3566.88,536 9.474,537 64700.2,539 421.488,540 1.607,541 5.306,542 0.202,543 0.008,544 0.089,545 0.053,546 0.042,547 0.029,548 0.017,549 0.014,550 0.013,551 0.009,552 0.475,553 0.17,554 0.63,555 0.559,556 242.039,557 -0.074,558 -0.152,559 0.149,560 -0.101,561 -0.167,562 0.036,563 0.185,564 0.074,565 0.017,566 -0.022,567 0.147,568 -0.052,569 0.064,570 -0.196,571 0.05,572 -0.117,573 0.028,574 -0.055,575 0.062,576 0.02,577 0.092,578 0.061,579 0.091,580 0.068,581 -0.078,582 -0.001,583 0.006,584 0.027,585 -0.09,586 0.027,587 0.026,588 -0.013,589 -0.094,590 -0.085,591 0.104,592 -0.022,593 -0.097,594 0.081,595 -0.202,596 0.028,597 -0.083,598 -0.097,599 -0.147,600 -0.06,601 -0.146,602 -0.088,603 -0.093,604 -0.134,605 5.598,606 5.356,607 0.714,608 57.703,609 1.037,610 1.142,611 2.562,612 6.565,613 0.655,614 3.871,615 4.263,616 4.564,617 4.852,618 5.017,619 5.204,620 5.361,621 5.549,622 5.69,623 5.82,624 9.284,625 0.65,626 601.67,627 3.871,628 5.46,629 6.337,630 7.246,631 8.138,632 9.051,633 9.95,634 10.864,635 11.768,636 12.685,637 13,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 69,667 24,668 1,669 47,671 74,672 24,673 13,674 2,675 4,676 1,677 6,678 7,683 7,684 1,686 7,688 14,689 10,690 1,691 3,693 1,694 3,697 1,700 27,701 15,702 6,703 18,704 1,706 1,707 9,711 0.833,712 8,714 2,715 1,717 1,721 4,722 2,730 2,731 1,732 5,733 1,739 42,740 1,742 1,743 3,744 5,745 1,746 2,747 5,751 1,754 11.6,755 2,756 1,757 3,758 2,761 21.75,762 11.75,763 8.889,764 3.937,765 3.77,766 1.412,767 0.939,768 7.777,769 12.917,770 4.119,771 4.762,772 5.308,773 5.903,774 6.349,775 6.769,776 7.207,777 7.66,778 7.997,779 8.35,780 0.909,781 69,782 16.354,783 8.036,784 8.165,785 28.758,786 24.69,787 2.665,788 111.917,789 247.193,790 96.546,791 136.538,793 217.053,795 7.511,796 89.035,797 464.246,798 136.538,800 31.136,801 172.728,802 242.056,803 11.762,804 27.769,805 211.88,807 247.193,808 225.573,809 217.053,810 7.511,812 247.193,813 112.141,814 104.912,815 51.945,816 90.068,817 91.071,819 247.193,820 353.591,821 96.546,823 7.511,824 247.193,825 33.464,826 59.247,827 16.405,828 333.51,829 247.193,830 353.591,831 96.546,833 0.601,834 0.356,835 0.19,836 0.093,837 36,838 17,839 0.108,840 8,841 1,842 1.067,843 5.067,844 443.564,845 0.067,846 30,847 220.477,848 1,849 28.729,850 11.369,851 5.692,852 0.366,853 349.915,854 8.371,855 21.358,856 0.258,857 2.723,858 177.352,859 697.331,860 60.5,862 -4.682,863 36.97,866 -1.125,867 71.563,868 78.817,869 0.31,870 0.732,871 0.875,872 0.929,873 0.938,874 0.938,875 5.408,876 1.943,877 6.372,878 7.86,879 4.949,880 5.451,881 2.31,882 7.253,883 4.852,884 6.646,885 1.886,886 7.983,887 5.917,888 4.745,889 5.521,891 8.377,892 4.616,893 7.997,894 1.871,895 9.696,896 5.163,897 6.65,898 7.737,899 2.87,900 11.442,901 6.467,902 9.386,903 1.587,904 11.468,905 5.061,906 7.252,907 8.633,909 13.34,910 7.036,911 10.809,912 1.414,913 13.274,914 4.749,915 8.661,916 10.378,917 3.593,918 15.959,919 8.397,920 12.255,921 1.371,922 15.104,923 3.639,924 9.588,925 11.614,927 18.15,928 9.287,929 13.717,930 1.081,931 16.95,932 3.07,933 10.829,934 13.2,935 4.417,936 20.628,937 10.484,938 3.319,939 1.046,940 18.808,941 2.982,942 11.89,943 14.582,945 22.941,946 11.506,947 3.235,948 11.665,949 20.674,950 2.615,951 13.074,952 16.113,953 5.291,954 25.373,955 12.648,956 3.067,957 11.105,958 22.547,959 4.624,960 14.192,961 17.562,963 27.742,964 13.725,965 2.929,966 10.256,967 24.426,968 4.489,969 15.359,970 19.074,971 6.188,972 30.162,973 14.851,974 2.881,975 9.495,976 26.309,977 3.901,978 16.502,979 20.554,981 32.559,982 15.953,983 2.599,984 9.475,985 28.196,986 3.899,987 17.666,988 22.063,989 7.095,990 34.979,991 17.077,992 2.358,993 8.529,994 30.087,995 3.352,996 18.823,997 23.559,999 37.392,1000 18.193,1001 30187,1002 54091,1003 31.035,1004 45.188,1005 72.401,1006 74.627,1007 74.326,1008 72.294,1009 72.22,1010 91.943,1011 7.2,1012 220.638,1013 68.633,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 23.535,1024 1.54,1025 1.588,1026 1.581,1027 1.538,1028 1.537,1029 1.956,1030 0.153,1031 4.694,1032 1.46,1033 4.138,1034 4.191,1035 4.71,1036 3.945,1037 7.725,1038 3.974,1039 3.989,1040 4.005,1041 4.113,1042 3.879,1043 7.428,1044 3.864,1045 3.95,1046 3.977,1047 3.887,1048 3.809,1049 6.999,1050 3.811,1051 3.853,1052 3.855,1053 3.854,1054 3.763,1055 6.495,1056 3.691,1057 3.767,1058 3.775,1059 3.716,1060 3.588,1061 6.468,1062 3.58,1063 3.664,1064 3.714,1065 3.572,1066 3.442,1067 6.4,1068 3.47,1069 3.303,1070 3.382,1071 3.228,1072 3.061,1073 5.287,1074 3.09,1075 3.2,1076 3.224,1077 3.169,1078 2.981,1079 5.057,1080 3.004,1081 0.1,1082 0.095,1083 0.148,1084 0.09,1085 0.071,1086 4.705,1087 0.098,1088 4.473,1089 0.034,1090 6.935,1091 0.248,1092 4.251,1093 0.068,1094 3.319,1095 4.624,1096 1.579,1097 11.665,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.038,1103 1.256,1104 2.006,1105 1.819,1106 1.772,1107 1.885,1108 2.005,1109 1.211,1110 1.987,1111 1.681,1112 1.676,1113 1.86,1114 1.858,1115 1.172,1116 1.869,1117 1.645,1118 1.635,1119 1.836,1120 1.829,1121 1.065,1122 1.837,1123 1.577,1124 1.532,1125 1.776,1126 1.802,1127 1.001,1128 1.793,1129 1.556,1130 1.507,1131 1.652,1132 1.751,1133 0.781,1134 1.779,1135 1.441,1136 1.419,1137 1.412,1138 1.683,1139 0.573,1140 1.68,1141 1.266,1142 1.194,1143 1.359,1144 1.569,1145 0.513,1146 1.515,1147 4.554,1149 5.927,1150 3.714,1151 7.471,1152 6.043,1153 9.094,1154 8.111,1155 10.761,1161 6.133,1162 31.141,1163 3.568,1164 1.666,1165 10.576,1166 -5.407,1170 44.839,1171 130.538,1172 308.356,1173 368.733,1174 391.488,1175 395.488,1176 395.488,1177 113.005,1178 9.147,1179 242.72,1180 251.1,1181 32,1182 13.198,1183 4.644,1184 3.858,1185 61.776,1186 232,1187 232,1188 0.126,1189 271.602,1190 467.43,1191 654.468,1192 152619,1194 29.595,1195 0.705,1196 0.541,1197 29.845,1198 22.702,1199 20.109,1200 0.428,1201 0.308,1202 12.869,1203 18.191,1204 12.671,1205 10.345,1206 20.963,1207 14.456,1208 19.343,1209 0.276,1210 0.163,1211 20.652,1212 11.384,1213 16.509,1214 0.174,1215 0.086,1216 17.357,1217 8.173,1218 13.974,1219 0.11,1220 0.046,1221 14.825,1222 5.824,1223 10.071,1224 0.067,1225 0.023,1226 10.819,1227 3.474,1228 0.202,1229 138.13,1230 0.18,1231 37.637,1232 0.335,1233 234,1234 833.148,1235 307.018,1236 799.878,1237 1075.97,1238 738,1239 282,1240 767.85,1241 368.699,1242 797.491,1243 1181.19,1244 748,1245 9.268}
{0 CHEMBL609106,1 1.769,2 12.594,3 0.7,4 0.49,5 115.408,6 8.392,7 0.457,8 4.143,9 4.228,10 3.919,11 3.648,12 5.318,13 3.649,14 4.683,15 4.794,16 4.233,17 4.067,18 6.082,19 4.052,20 4.998,21 5.166,22 4.32,23 4.207,24 6.23,25 4.168,26 5.118,27 5.302,28 4.323,29 4.195,30 6.545,31 4.14,32 5.038,33 5.24,34 4.273,35 4.142,36 6.218,37 4.06,38 4.985,39 5.152,40 4.254,41 4.027,42 6.498,43 3.998,44 4.899,45 5.082,46 4.024,47 3.898,48 6.337,49 3.857,50 4.757,51 4.958,52 3.881,53 3.799,54 6.077,55 3.732,56 0.277,57 0.816,58 13.413,59 5.28,60 48.476,61 5.637,62 0.788,63 1.293,64 20.196,65 8.947,66 98.409,67 10.311,68 0.919,69 1.633,70 33.788,71 12.138,72 134.955,73 14.344,74 1.615,75 1.698,76 40.486,77 12.905,78 232.167,79 15.22,80 1.143,81 1.598,82 43.588,83 13.209,84 145.527,85 15.217,86 1.443,87 1.432,88 41.378,89 11.895,90 237.165,91 13.211,92 1.329,93 1.285,94 33.971,95 10.165,96 197.146,97 11.625,98 0.996,99 1.136,100 30.124,101 9.285,102 158.566,103 10.862,104 50,105 52,106 0.29,107 0.672,108 0.813,109 0.897,110 0.923,111 0.923,112 3.502,113 0.968,114 -2.28,115 -2.32,116 -2.29,119 38.2,121 1,122 1,125 1,127 3,134 8,135 2,136 2,143 1,144 1,147 1,152 1,153 1,154 1,157 8,159 3,160 6,163 4,165 6,166 7,167 2,169 4,171 1,172 1,173 8,175 5,176 2,177 3,178 8,180 1,181 4,182 1,183 5,185 4,186 1,187 1,188 6,190 1,192 5,194 4,198 7,201 5,202 1,203 5,206 3,208 1,211 2,212 7,215 3,216 2,217 3,219 1,220 3,221 1,224 1,227 1,228 1,229 3,231 1,232 3,234 1,235 8,237 1,238 2,240 6,243 3,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.087,254 11.847,255 21.147,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 17.705,263 5.543,264 17.645,265 4.012,266 1.673,267 0.814,268 0.305,269 0.145,270 0.145,271 4.188,274 1,275 1,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 63.229,286 0.75,287 0.5,288 0.83,289 0.7,290 0.5,291 0.67,292 0.5,293 0.64,294 72.5,295 403,296 4.705,297 4.473,298 6.924,299 4.265,300 3.303,301 4.581,302 1.579,303 11.611,304 3.213,305 4.641,306 3.555,307 6.764,308 4.219,309 3.232,310 4.489,311 0.98,312 11.104,313 3.152,314 4.278,315 3.431,316 6.528,317 3.974,318 2.998,319 3.899,321 10.114,322 2.922,323 4.14,324 3.095,325 6.341,326 3.873,327 2.882,328 3.324,330 9.48,331 2.852,332 3.661,333 2.677,334 5.891,335 3.341,336 2.388,337 2.92,339 7.931,340 2.269,341 3.357,342 2.538,343 5.237,344 2.93,345 1.942,346 2.592,347 5.876,348 1.91,349 3.058,350 2.109,351 4.867,352 2.852,353 1.882,354 2.324,355 5.162,356 1.814,357 3.03,358 1.794,359 4.783,360 2.555,361 1.59,362 2.112,363 4.71,364 1.545,365 2.861,366 1.548,367 4.144,368 2.53,369 1.542,370 2.015,371 3.671,372 1.502,373 2.733,374 1.543,375 4.069,376 2.392,377 1.414,378 1.763,379 3.07,380 1.377,381 2.55,382 1.409,383 3.894,384 2.052,385 1.048,386 1.512,387 2.926,388 1.046,389 2.413,390 1.311,391 3.605,392 2.003,393 1.038,394 1.386,395 2.615,396 0.998,397 2.101,398 1.142,399 3.439,400 1.727,401 0.77,402 0.996,403 1.829,404 0.733,405 1.772,406 0.884,407 3.303,408 1.59,409 0.69,410 0.728,411 1.679,412 0.614,413 1.1,414 0.655,415 2.937,416 0.859,417 -0.03,418 -0.032,419 -0.071,420 -0.026,421 14.867,422 0.465,423 1.082,424 0.034,425 40.25,426 1.258,427 19.5,428 0.609,429 20.75,430 0.648,431 28.204,432 0.881,433 36.133,434 0.657,435 35.589,436 1.112,437 7.841,438 0.245,439 7.335,440 0.229,441 0.161,442 0.056,443 0.363,447 0.807,448 1.26,449 0.798,450 1.205,451 0.865,452 0.887,453 0.628,454 1.148,455 0.811,456 1.021,457 0.583,458 1.017,459 0.924,460 1.212,461 0.958,462 1.134,463 0.852,464 1.082,465 1.052,466 0.948,467 1.018,468 0.912,469 0.979,470 1.012,471 1.025,472 0.984,473 1.165,474 1.127,475 0.992,476 0.988,477 1.156,478 1.08,479 1.255,480 1.226,481 1.22,482 1.025,483 1.299,484 0.888,485 1.138,486 0.948,487 1.329,488 1.03,489 1.233,490 0.897,491 1.045,492 0.887,493 1.207,494 0.943,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 46837,507 2.019,508 41.8,510 13,511 1,513 6,515 2,516 1,518 1.743,519 1.837,520 3.593,521 3.26,522 1,524 97.288,525 1.769,526 4.108,527 4.968,528 5.477,529 5.636,530 5.636,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 317.975,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.07,558 -0.018,559 0.161,560 -0.016,561 -0.194,562 0.092,563 0.211,564 -0.013,565 -0.017,566 -0.017,567 0.154,568 -0.067,569 -0.048,570 -0.178,571 -0.034,572 -0.137,573 -0.031,574 -0.1,575 0.041,576 0.023,577 -0.038,578 0.029,579 0.065,580 -0.062,581 -0.065,582 0.011,583 0.028,584 -0.022,585 -0.08,586 0.028,587 0.061,588 -0.115,589 -0.059,590 -0.133,591 0.077,592 -0.054,593 -0.07,594 0.047,595 -0.128,596 -0.02,597 -0.071,598 -0.098,599 -0.136,600 0.026,601 -0.007,602 0.078,603 -0.09,604 0.036,605 5.429,606 5.194,607 0.625,608 32.086,609 1.027,610 1.128,611 1.054,612 1.112,613 0.663,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.646,626 461.54,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 5.5,640 1,643 1,644 1,650 2,651 9,653 3,654 1,655 16,659 1,663 1,666 55,667 19,668 2,669 35,671 58,672 21,673 14,674 5,675 7,676 1,677 4,678 5,683 4,684 1,686 4,688 15,689 6,690 1,691 3,693 1,694 3,697 1,698 1,700 23,701 9,702 6,703 11,704 1,707 3,711 0.75,712 7,714 2,718 1,721 2,722 2,730 2,732 3,733 1,739 32,740 1,742 1,743 3,744 2,745 1,746 1,747 4,754 12.7,755 2,756 1,757 3,758 1,761 17.417,762 9.05,763 6.833,764 2.929,765 2.842,766 1.364,767 0.918,768 6.267,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.487,783 6.114,784 8.258,785 21.886,786 18.808,787 2.758,788 88.25,789 200.109,790 114.86,791 51.201,793 206.053,795 7.511,796 107.348,797 406.162,798 51.201,800 23.532,801 210.633,802 125.391,803 10.414,804 13.915,805 188.338,807 200.109,808 158.55,809 206.053,810 7.511,812 164.795,813 147.455,814 93.912,815 25.431,816 133.119,817 7.511,819 200.109,820 257.255,821 114.86,823 7.511,824 200.109,825 22.491,826 86.756,827 16.405,828 238.951,829 200.109,830 257.255,831 114.86,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.103,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 158,848 1,849 22.729,850 8.823,851 4.548,852 1.591,853 255.356,854 14.422,856 -0.021,857 1.8,858 177.352,859 572.223,860 46,862 -4.512,863 36.508,866 -1.051,867 56.509,868 62.033,869 0.306,870 0.711,871 0.859,872 0.947,873 0.975,874 0.975,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.068,882 6.969,883 4.599,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.436,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.727,900 11.204,901 6.27,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.887,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.52,918 15.771,919 8.262,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.191,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.383,936 20.478,937 10.41,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.463,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.276,954 25.251,955 12.627,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.73,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.182,972 30.058,973 14.878,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 16.002,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.092,990 34.886,991 17.145,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.28,1001 13815,1002 25048,1003 22.482,1004 36.46,1005 53.801,1006 55.992,1007 56.379,1008 53.486,1009 53.442,1010 69.277,1011 5.118,1012 163.554,1013 51.893,1014 5.683,1015 6.473,1016 6.609,1017 5.312,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.213,1023 19.512,1024 1.537,1025 1.6,1026 1.611,1027 1.528,1028 1.527,1029 1.979,1030 0.146,1031 4.673,1032 1.483,1033 4.16,1034 4.194,1035 4.71,1036 4.06,1037 7.725,1038 4.069,1039 3.992,1040 3.979,1041 4.113,1042 3.896,1043 7.428,1044 3.869,1045 3.873,1046 3.893,1047 3.856,1048 3.782,1049 6.999,1050 3.755,1051 3.792,1052 3.763,1053 3.752,1054 3.697,1055 6.494,1056 3.617,1057 3.412,1058 3.471,1059 3.317,1060 3.274,1061 6.468,1062 3.273,1063 3.214,1064 3.239,1065 3.172,1066 3.002,1067 6.4,1068 3.023,1069 3.107,1070 3.173,1071 2.998,1072 2.935,1073 5.142,1074 2.932,1075 3.07,1076 3.104,1077 2.936,1078 2.838,1079 4.73,1080 2.844,1081 0.134,1082 0.128,1083 0.198,1084 0.122,1085 0.094,1086 4.705,1087 0.131,1088 4.473,1089 0.045,1090 6.924,1091 0.332,1092 4.265,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.213,1099 1.941,1100 1.915,1101 2.025,1102 2.041,1103 1.3,1104 2.038,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.198,1110 2.007,1111 1.703,1112 1.699,1113 1.877,1114 1.879,1115 1.077,1116 1.896,1117 1.646,1118 1.614,1119 1.791,1120 1.843,1121 1.064,1122 1.836,1123 1.502,1124 1.519,1125 1.518,1126 1.707,1127 0.625,1128 1.728,1129 1.309,1130 1.263,1131 1.353,1132 1.494,1133 0.598,1134 1.502,1135 1.048,1136 1.046,1137 1.246,1138 1.298,1139 0.406,1140 1.275,1141 0.973,1142 0.92,1143 1.236,1144 1.268,1145 0.275,1146 1.272,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1161 5.982,1162 30.73,1163 -0.205,1164 1.72,1165 4.895,1166 -3.608,1170 35.523,1171 97.288,1172 225.936,1173 273.22,1174 301.22,1175 309.975,1176 309.975,1177 99.076,1178 7.817,1179 164.11,1180 172.49,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 218.704,1190 381.64,1191 525.399,1192 28622,1194 23.043,1195 0.72,1196 0.551,1197 23.293,1198 17.644,1199 15.176,1200 0.434,1201 0.323,1202 9.832,1203 13.761,1204 9.593,1205 7.854,1206 16.03,1207 11.292,1208 14.665,1209 0.282,1210 0.175,1211 15.974,1212 9.082,1213 12.209,1214 0.177,1215 0.096,1216 13.057,1217 6.611,1218 10.121,1219 0.112,1220 0.054,1221 10.972,1222 4.832,1223 7.362,1224 0.07,1225 0.031,1226 8.11,1227 3.263,1228 0.277,1229 104.964,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 587.542,1235 230.627,1236 574.78,1237 759.97,1238 526,1239 208,1240 514.134,1241 275.174,1242 553.588,1243 813.05,1244 519,1245 7.697}
{0 CHEMBL609107,1 1.919,2 12.594,3 -1.258,4 1.584,5 110.194,6 8.933,7 0.457,8 4.113,9 4.201,10 3.934,11 3.555,12 5.342,13 3.589,14 4.649,15 4.767,16 4.25,17 3.968,18 6.108,19 3.986,20 4.931,21 5.092,22 4.333,23 4.097,24 6.235,25 4.092,26 5.055,27 5.237,28 4.33,29 4.075,30 6.541,31 4.058,32 4.962,33 5.158,34 4.282,35 4.016,36 6.23,37 3.977,38 4.885,39 5.034,40 4.261,41 3.903,42 6.493,43 3.919,44 4.82,45 4.996,46 4.033,47 3.781,48 6.337,49 3.78,50 4.644,51 4.826,52 3.896,53 3.686,54 6.048,55 3.66,56 0.353,57 0.831,58 11.512,59 4.388,60 58.005,61 4.535,62 0.944,63 1.28,64 17.786,65 7.592,66 112.845,67 8.458,68 1.139,69 1.503,70 29.597,71 10.31,72 160.211,73 11.921,74 1.846,75 1.507,76 36.834,77 10.623,78 255.656,79 12.339,80 1.417,81 1.401,82 39.773,83 10.448,84 177.88,85 11.792,86 1.581,87 1.242,88 35.747,89 9.251,90 248.49,91 9.851,92 1.526,93 1.117,94 29.913,95 7.857,96 213.424,97 8.805,98 1.079,99 0.993,100 25.349,101 7.1,102 167.638,103 8.451,104 50,105 52,106 0.317,107 0.727,108 0.867,109 0.905,110 0.918,111 0.918,112 3.502,113 0.932,114 -2.7,115 -2.71,116 -2.64,119 34.6,121 1,122 1,125 1,127 3,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 5,159 6,160 3,162 1,163 5,165 4,166 4,168 2,169 3,170 1,171 2,172 1,173 6,175 2,177 4,178 9,180 2,181 5,182 1,183 4,187 1,188 8,190 3,192 2,198 8,201 7,202 1,203 1,206 1,208 1,211 4,212 5,215 4,216 2,217 1,219 1,220 2,221 1,227 2,228 1,229 2,231 1,232 3,234 6,235 1,237 1,238 4,240 3,243 3,246 1740,247 20.913,248 20.913,249 20.913,250 20.913,251 20.913,252 18.502,253 20.087,254 11.847,255 21.337,256 17.184,257 17.184,258 17.184,259 17.184,260 17.184,261 13.5,262 17.705,263 5.543,264 17.943,265 3.782,266 1.303,267 0.462,268 0.231,269 0.154,270 0.154,271 4.188,276 871,277 4.123,280 169.077,281 216.554,282 141.866,284 1.932,285 68.453,286 0.5,287 0.5,288 0.67,289 0.6,291 0.5,292 0.5,293 0.47,294 74,295 403,296 4.705,297 4.473,298 6.924,299 4.258,300 3.303,301 4.581,302 1.579,303 11.611,304 3.212,305 4.641,306 3.555,307 6.764,308 4.214,309 3.232,310 4.489,311 0.98,312 11.104,313 3.113,314 4.278,315 3.431,316 6.528,317 3.954,318 2.998,319 3.899,321 10.114,322 2.866,323 4.14,324 3.095,325 6.341,326 3.872,327 2.882,328 3.324,330 9.48,331 2.842,332 3.661,333 2.677,334 5.891,335 3.325,336 2.388,337 2.92,339 7.931,340 2.234,341 3.357,342 2.538,343 5.237,344 2.929,345 1.942,346 2.592,347 5.876,348 1.909,349 3.058,350 2.109,351 4.867,352 2.838,353 1.882,354 2.324,355 5.162,356 1.782,357 3.03,358 1.794,359 4.783,360 2.525,361 1.59,362 2.112,363 4.71,364 1.48,365 2.861,366 1.548,367 4.144,368 2.449,369 1.542,370 2.015,371 3.671,372 1.396,373 2.733,374 1.543,375 4.069,376 2.392,377 1.414,378 1.763,379 3.07,380 1.377,381 2.55,382 1.409,383 3.894,384 2.051,385 1.048,386 1.512,387 2.926,388 1.046,389 2.413,390 1.311,391 3.605,392 1.965,393 1.038,394 1.386,395 2.615,396 0.959,397 2.101,398 1.142,399 3.439,400 1.669,401 0.77,402 0.996,403 1.829,404 0.691,405 1.772,406 0.884,407 3.303,408 1.589,409 0.69,410 0.728,411 1.679,412 0.612,413 1.1,414 0.655,415 2.937,416 0.851,417 -0.03,418 -0.032,419 -0.071,420 -0.026,421 14.567,422 0.455,423 1.082,424 0.034,425 41.75,426 1.305,427 19.5,428 0.609,429 22.25,430 0.695,431 27.21,432 0.85,433 36.433,434 0.701,435 36.582,436 1.143,437 8.076,438 0.252,439 7.1,440 0.222,441 0.165,442 0.057,443 0.371,447 0.862,448 1.513,449 0.771,450 1.312,451 0.882,452 0.901,453 0.661,454 1.031,455 0.792,456 0.973,457 0.607,458 0.966,459 0.941,460 1.241,461 0.949,462 1.205,463 0.882,464 1.119,465 1.112,466 0.908,467 1.029,468 0.884,469 1.025,470 0.984,471 1.122,472 0.946,473 1.241,474 1.108,475 1.069,476 0.956,477 1.211,478 1.094,479 1.361,480 1.296,481 1.279,482 1.063,483 1.318,484 0.779,485 1.212,486 0.884,487 1.367,488 1.017,489 1.196,490 1.013,491 1.087,492 1.04,493 1.269,494 1.054,495 7.5,496 0.279,497 5.111,498 3.549,499 2.136,500 1.406,501 0.92,502 0.547,503 0.389,504 0.313,505 14473,506 52349,507 2.019,508 38.5,510 9,512 2,513 6,515 2,516 1,518 1.743,519 1.837,520 3.593,521 3.353,524 99.764,525 1.919,526 4.397,527 5.239,528 5.47,529 5.547,530 5.547,531 3.031,532 4.75,533 4.974,534 3.796,535 1882.74,536 8.69,537 27720.1,539 296.423,540 1.693,541 4.896,542 0.214,543 0.009,544 0.098,545 0.067,546 0.044,547 0.032,548 0.02,549 0.015,550 0.013,551 0.01,552 0.522,553 0.17,554 0.75,555 0.636,556 168.878,557 -0.124,558 -0.219,559 0.154,560 -0.092,561 -0.203,562 0.062,563 0.191,564 0.139,565 -0.015,566 0.026,567 0.145,568 -0.039,569 -0.051,570 -0.209,571 -0.022,572 -0.182,573 -0.036,574 -0.123,575 -0.016,576 0.023,577 -0.029,578 0.061,579 0.038,580 -0.023,581 -0.126,582 0.035,583 -0.01,584 0.019,585 -0.117,586 0.061,587 -0.002,588 -0.117,589 -0.152,590 -0.166,591 0.041,592 -0.105,593 -0.111,594 0.144,595 -0.196,596 0.034,597 -0.112,598 -0.1,599 -0.142,600 -0.087,601 -0.053,602 -0.038,603 -0.127,604 -0.057,605 5.462,606 5.167,607 0.625,608 32.086,609 1.042,610 1.14,611 1.468,612 2.155,613 0.658,614 3.584,615 3.97,616 4.248,617 4.511,618 4.663,619 4.762,620 4.86,621 4.984,622 4.997,623 5.017,624 7.484,625 0.654,626 464.51,627 3.584,628 5.165,629 6.033,630 6.94,631 7.824,632 8.734,633 9.626,634 10.537,635 11.434,636 12.346,637 11.5,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 52,667 19,668 1,669 35,671 55,672 18,673 11,674 2,675 4,676 1,677 4,678 5,683 4,684 1,686 4,688 12,689 6,690 1,691 3,693 1,694 3,697 1,698 1,700 20,701 12,702 6,703 14,704 1,706 1,707 6,711 0.75,712 7,714 2,717 1,721 2,722 2,730 2,732 3,733 1,739 32,740 1,742 1,743 3,744 2,745 1,746 1,747 4,754 13.5,755 2,756 1,757 3,758 1,761 17.417,762 8.65,763 6.833,764 2.696,765 2.842,766 1.364,767 0.908,768 6.134,769 10.659,770 3.85,771 4.497,772 5.008,773 5.575,774 5.992,775 6.247,776 6.557,777 6.867,778 6.849,779 6.969,780 1,781 53,782 12.478,783 6.139,784 8.352,785 21.497,786 18.231,787 2.852,788 91.25,789 164.795,790 83.858,791 101.558,793 206.053,795 7.511,796 76.347,797 370.849,798 101.558,800 23.532,801 163.68,802 209.624,803 15.847,804 2.328,805 141.253,807 164.795,808 177.905,809 206.053,810 7.511,812 129.482,813 147.455,814 93.912,815 46.528,816 81.02,817 57.868,819 164.795,820 307.611,821 83.858,823 7.511,824 164.795,825 21.205,826 57.041,827 16.405,828 289.307,829 164.795,830 307.611,831 83.858,833 0.602,834 0.356,835 0.186,836 0.093,837 26,838 13,839 0.109,840 6,841 1,842 1.1,843 4.195,844 295.88,845 0.1,846 20,847 156,848 1,849 22.541,850 8.708,851 4.478,852 0.696,853 305.712,854 8.058,855 12.078,856 -0.48,857 1.537,858 177.352,859 556.265,860 46,862 -4.545,863 36.435,866 -1.074,867 54.164,868 59.282,869 0.337,870 0.771,871 0.919,872 0.96,873 0.973,874 0.973,875 5.13,876 1.59,877 6.08,878 5.162,879 4.654,880 5.185,881 2.068,882 6.969,883 4.57,884 6.38,885 1.542,886 7.701,887 4.71,888 4.511,889 5.316,891 8.155,892 4.416,893 7.74,894 1.414,895 9.427,896 3.671,897 6.372,898 7.5,899 2.727,900 11.204,901 6.224,902 9.139,903 1.048,904 11.211,905 3.07,906 7.013,907 8.436,909 13.149,910 6.85,911 10.571,912 1.038,913 13.031,914 2.926,915 8.411,916 10.179,917 3.52,918 15.771,919 8.206,920 12.026,921 0.77,922 14.874,923 2.615,924 9.365,925 11.44,927 17.992,928 9.138,929 13.498,930 0.69,931 16.732,932 1.829,933 10.607,934 13.033,935 4.383,936 20.478,937 10.344,938 3.303,939 -0.03,940 18.601,941 1.679,942 11.686,943 14.43,945 22.81,946 11.396,947 3.232,948 11.611,949 20.479,950 -0.071,951 12.875,952 15.968,953 5.276,954 25.251,955 12.551,956 2.998,957 11.104,958 22.363,959 4.581,960 14.005,961 17.425,963 27.631,964 13.652,965 2.882,966 10.114,967 24.253,968 4.489,969 15.177,970 18.942,971 6.182,972 30.058,973 14.792,974 2.388,975 9.48,976 26.146,977 3.899,978 16.329,979 20.426,981 32.461,982 15.913,983 1.942,984 7.931,985 28.042,986 3.324,987 17.498,988 21.936,989 7.092,990 34.886,991 17.05,992 1.882,993 5.876,994 29.941,995 2.92,996 18.66,997 23.433,999 37.301,1000 18.182,1001 13815,1002 26440,1003 22.482,1004 34.193,1005 53.801,1006 55.992,1007 56.379,1008 53.422,1009 53.442,1010 69.277,1011 5.118,1012 163.554,1013 51.04,1014 5.683,1015 6.473,1016 6.609,1017 5.333,1018 5.303,1019 7.581,1020 3.158,1021 19.32,1022 5.212,1023 19.512,1024 1.537,1025 1.6,1026 1.611,1027 1.526,1028 1.527,1029 1.979,1030 0.146,1031 4.673,1032 1.458,1033 4.122,1034 4.172,1035 4.71,1036 3.952,1037 7.725,1038 3.971,1039 3.987,1040 3.978,1041 4.086,1042 3.878,1043 7.428,1044 3.863,1045 3.866,1046 3.886,1047 3.856,1048 3.769,1049 6.999,1050 3.728,1051 3.784,1052 3.761,1053 3.743,1054 3.665,1055 6.494,1056 3.609,1057 3.341,1058 3.421,1059 3.267,1060 3.088,1061 6.468,1062 3.12,1063 3.205,1064 3.228,1065 3.171,1066 2.985,1067 6.4,1068 3.008,1069 3.086,1070 3.108,1071 2.973,1072 2.858,1073 5.269,1074 2.862,1075 2.994,1076 3.099,1077 2.883,1078 2.746,1079 4.842,1080 2.749,1081 0.134,1082 0.128,1083 0.198,1084 0.122,1085 0.094,1086 4.705,1087 0.131,1088 4.473,1089 0.045,1090 6.924,1091 0.332,1092 4.258,1093 0.092,1094 3.303,1095 4.581,1096 1.579,1097 11.611,1098 3.212,1099 1.897,1100 1.883,1101 1.991,1102 2.016,1103 1.291,1104 2.008,1105 1.812,1106 1.765,1107 1.904,1108 2.004,1109 1.163,1110 1.979,1111 1.688,1112 1.694,1113 1.831,1114 1.877,1115 1.064,1116 1.89,1117 1.598,1118 1.551,1119 1.73,1120 1.824,1121 0.788,1122 1.801,1123 1.502,1124 1.519,1125 1.367,1126 1.707,1127 0.609,1128 1.728,1129 1.17,1130 1.103,1131 1.34,1132 1.453,1133 0.417,1134 1.43,1135 1.043,1136 1.041,1137 1.231,1138 1.292,1139 0.341,1140 1.267,1141 0.883,1142 0.839,1143 1.143,1144 1.223,1145 0.195,1146 1.211,1147 4.263,1149 5.631,1150 3.045,1151 7.18,1152 5.476,1153 8.808,1154 7.627,1155 10.477,1161 5.768,1162 30.591,1163 -0.359,1164 1.693,1165 4.853,1166 -4.003,1170 34.007,1171 99.764,1172 228.648,1173 272.423,1174 284.423,1175 288.423,1176 288.423,1177 99.073,1178 7.817,1179 202.78,1180 211.16,1181 22,1182 12.863,1183 4.322,1184 3.585,1185 52.043,1186 145,1187 132,1188 0.174,1189 210.31,1190 362.74,1191 504.917,1192 28622,1194 23.043,1195 0.72,1196 0.539,1197 23.293,1198 17.253,1199 15.176,1200 0.434,1201 0.311,1202 9.363,1203 13.568,1204 9.168,1205 7.495,1206 16.03,1207 10.871,1208 14.665,1209 0.282,1210 0.167,1211 15.974,1212 8.662,1213 12.209,1214 0.177,1215 0.09,1216 13.057,1217 6.201,1218 10.121,1219 0.112,1220 0.049,1221 10.972,1222 4.443,1223 7.362,1224 0.07,1225 0.028,1226 8.11,1227 2.96,1228 0.277,1229 106.326,1230 0.211,1231 30.014,1232 0.467,1233 174,1234 646.477,1235 236.011,1236 626.655,1237 827.21,1238 574,1239 208,1240 563.528,1241 281.114,1242 600.485,1243 882.01,1244 561,1245 8.638}
{0 CHEMBL609108,1 1.947,2 12.613,3 -0.704,4 0.496,5 104.946,6 9.193,7 0.471,8 4.065,9 4.147,10 3.916,11 3.493,12 5.296,13 3.54,14 4.603,15 4.714,16 4.227,17 3.876,18 6.092,19 3.916,20 4.829,21 4.976,22 4.264,23 3.97,24 6.139,25 3.986,26 4.888,27 5.05,28 4.285,29 3.929,30 6.433,31 3.938,32 4.817,33 5.003,34 4.203,35 3.871,36 6.104,37 3.851,38 4.743,39 4.874,40 4.172,41 3.772,42 6.411,43 3.802,44 4.7,45 4.874,46 3.881,47 3.657,48 6.084,49 3.662,50 4.483,51 4.653,52 3.858,53 3.576,54 5.894,55 3.563,56 0.351,57 0.787,58 10.219,59 4.077,60 51.236,61 3.973,62 1.01,63 1.178,64 16.453,65 6.882,66 102.122,67 7.21,68 1.25,69 1.329,70 26.543,71 8.979,72 135.149,73 9.55,74 1.617,75 1.303,76 29.181,77 8.806,78 209.223,79 9.69,80 1.345,81 1.205,82 32.195,83 8.816,84 148.668,85 9.514,86 1.469,87 1.074,88 30.987,89 8.309,90 214.061,91 8.325,92 1.406,93 0.979,94 25.478,95 6.84,96 167.615,97 7.039,98 0.876,99 0.881,100 20.294,101 6.326,102 124.822,103 7.416,104 37,105 50,106 0.326,107 0.739,108 0.871,109 0.905,110 0.912,111 0.912,112 3.472,113 0.919,114 -2.87,115 -2.87,116 -2.78,119 34.7,121 1,125 1,127 2,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,160 3,162 1,163 5,165 4,166 4,168 3,169 1,170 1,171 2,173 3,175 2,177 6,178 8,180 2,181 5,182 1,183 3,187 3,188 4,190 1,192 1,197 1,198 9,200 1,201 8,202 1,203 2,208 1,211 5,212 4,215 1,224 2,227 2,228 1,229 1,231 1,232 1,234 6,235 3,237 1,238 4,240 1,243 1,246 1592,247 20.361,248 20.361,249 20.361,250 20.361,251 20.361,252 17.95,253 21.238,254 11.639,255 20.882,256 16.737,257 16.737,258 16.737,259 16.737,260 16.737,261 13.049,262 24.54,263 5.477,264 17.656,265 3.667,266 1.197,267 0.408,268 0.204,269 0.163,270 0.163,271 4.159,275 1,276 848,277 4.062,280 163.904,281 209.273,282 138.142,284 1.973,285 62.966,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 72,295 391,296 4.705,297 4.473,298 6.809,299 4.232,300 3.248,301 4.579,302 1.579,303 11.237,304 3.208,305 4.63,306 3.556,307 6.764,308 4.152,309 3.218,310 4.489,311 1.041,312 11.103,313 2.991,314 4.278,315 3.445,316 6.342,317 3.881,318 2.904,319 3.899,320 0.98,321 9.486,322 2.856,323 3.988,324 3.092,325 6.207,326 3.808,327 2.86,328 3.254,330 9.22,331 2.678,332 3.642,333 2.677,334 5.831,335 3.313,336 2.388,337 2.81,339 7.804,340 2.202,341 3.356,342 2.592,343 4.979,344 2.924,345 1.926,346 2.592,347 5.293,348 1.907,349 3.052,350 1.969,351 4.865,352 2.659,353 1.736,354 2.324,355 5.157,356 1.597,357 2.967,358 1.868,359 4.226,360 2.451,361 1.547,362 2.069,363 3.779,364 1.397,365 2.861,366 1.548,367 4.102,368 2.392,369 1.414,370 2.015,371 3.67,372 1.377,373 2.552,374 1.543,375 4,376 2.311,377 1.405,378 1.521,379 3.068,380 1.26,381 2.471,382 1.374,383 3.878,384 2.047,385 1.042,386 1.456,387 2.831,388 1.041,389 2.394,390 1.311,391 3.598,392 1.931,393 1.021,394 1.373,395 2.6,396 0.925,397 2.082,398 1.063,399 3.38,400 1.631,401 0.74,402 0.964,403 1.795,404 0.658,405 1.602,406 0.822,407 3.293,408 1.401,409 0.518,410 0.546,411 1.313,412 0.452,413 1.095,414 0.559,415 2.843,416 0.749,417 -0.188,418 -0.223,419 -0.433,420 -0.174,421 14.067,422 0.454,423 1.009,424 0.033,425 41.5,426 1.339,427 19.5,428 0.629,429 22,430 0.71,431 24.312,432 0.784,433 35.133,434 0.717,435 35.497,436 1.145,437 8.208,438 0.265,439 6.541,440 0.211,441 0.147,442 0.059,443 0.348,447 0.857,448 1.575,449 0.748,450 1.373,451 0.856,452 0.912,453 0.758,454 0.976,455 0.801,456 0.934,457 0.597,458 0.921,459 1.096,460 1.19,461 1.013,462 1.137,463 0.948,464 1.062,465 0.997,466 0.95,467 1.014,468 0.98,469 0.963,470 1.03,471 1.119,472 0.924,473 1.15,474 1.045,475 1.08,476 0.935,477 1.146,478 1.091,479 1.457,480 1.381,481 1.189,482 1.088,483 1.523,484 0.725,485 1.243,486 0.784,487 1.637,488 0.996,489 0.985,490 1.16,491 0.993,492 1.196,493 1.033,494 1.109,495 7.5,496 0.229,497 4.667,498 3.076,499 1.941,500 1.271,501 0.735,502 0.51,503 0.358,504 0.289,505 13728,506 50152,507 2.038,508 36.7,510 8,511 1,512 2,513 5,517 2,518 1.734,519 1.869,520 3.591,521 2.573,524 95.414,525 1.947,526 4.417,527 5.207,528 5.411,529 5.451,530 5.451,531 3.011,532 4.672,533 4.929,534 3.803,535 1768.51,536 8.591,537 25746.8,539 275.121,540 1.663,541 4.859,542 0.221,543 0.008,544 0.093,545 0.063,546 0.042,547 0.032,548 0.018,549 0.016,550 0.012,551 0.01,552 0.514,553 0.17,554 0.88,555 0.618,556 162.664,557 -0.121,558 -0.293,559 0.168,560 -0.164,561 -0.204,562 0.029,563 0.171,564 0.16,565 -0.014,566 0.036,567 0.159,568 -0.028,569 -0.113,570 -0.183,571 -0.059,572 -0.118,573 -0.094,574 -0.089,575 0.082,576 0.017,577 -0.014,578 -0.018,579 0.113,580 -0.086,581 -0.103,582 0.041,583 0.044,584 0.051,585 -0.109,586 0.079,587 0.074,588 -0.109,589 -0.205,590 -0.199,591 0.16,592 -0.126,593 -0.313,594 0.166,595 -0.255,596 0.107,597 -0.341,598 -0.073,599 -0.021,600 -0.207,601 0.047,602 -0.146,603 0.004,604 -0.079,605 5.443,606 5.092,607 0.645,608 31.034,609 1.047,610 1.14,611 1.636,612 2.678,613 0.662,614 3.555,615 3.932,616 4.19,617 4.454,618 4.595,619 4.691,620 4.762,621 4.898,622 4.913,623 4.927,624 7.521,625 0.663,626 450.48,627 3.555,628 5.13,629 5.989,630 6.891,631 7.765,632 8.669,633 9.55,634 10.454,635 11.34,636 12.245,637 12.2,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 49,667 19,668 1,669 34,671 52,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,698 1,700 18,701 12,702 5,703 14,704 1,706 1,707 6,711 0.75,712 7,714 1,715 1,717 1,721 2,722 2,730 1,731 1,732 3,733 1,739 31,740 1,742 1,743 2,744 2,745 1,746 2,747 3,754 14.3,755 1,756 1,757 3,758 2,761 16.583,762 8.283,763 6.611,764 2.518,765 2.874,766 1.37,767 0.939,768 5.896,769 10.642,770 3.829,771 4.474,772 4.981,773 5.552,774 5.965,775 6.213,776 6.502,777 6.815,778 6.772,779 6.885,780 1,781 49,782 12.029,783 5.832,784 8.32,785 20.757,786 17.304,787 2.82,788 87.417,789 153.024,790 83.858,791 101.558,793 174.37,795 7.511,796 76.347,797 327.394,798 101.558,800 23.532,801 120.997,802 220.624,803 15.847,804 14.099,805 117.711,807 153.024,808 177.905,809 174.37,810 7.511,812 153.024,813 112.141,814 62.229,815 46.528,816 81.02,817 57.868,819 153.024,820 275.928,821 83.858,823 7.511,824 153.024,825 21.205,826 57.041,827 16.405,828 257.624,829 153.024,830 275.928,831 83.858,833 0.599,834 0.347,835 0.184,836 0.092,837 25,838 12,839 0.115,840 6,841 1,842 1.1,843 4.181,844 279.757,845 0.1,846 20,847 151.58,848 1,849 21.578,850 8.47,851 4.521,852 0.767,853 274.029,854 8.13,855 12.074,856 -0.432,857 1.547,858 134.669,859 512.81,860 45,862 -4.526,863 36.242,866 -1.064,867 51.28,868 55.867,869 0.347,870 0.787,871 0.927,872 0.964,873 0.971,874 0.971,875 5.1,876 1.547,877 6.028,878 5.157,879 4.615,880 5.162,881 2.31,882 6.899,883 4.512,884 6.347,885 1.414,886 7.635,887 3.779,888 4.443,889 5.286,891 8.061,892 4.327,893 7.704,894 1.405,895 9.346,896 3.67,897 6.315,898 7.482,899 2.87,900 11.087,901 6.131,902 9.101,903 1.042,904 11.116,905 3.068,906 6.929,907 8.416,909 13.015,910 6.73,911 10.531,912 1.021,913 12.924,914 2.831,915 8.331,916 10.165,917 3.593,918 15.61,919 8.079,920 11.984,921 0.74,922 14.755,923 2.6,924 9.262,925 11.427,927 17.816,928 8.99,929 13.455,930 0.518,931 16.602,932 1.795,933 10.501,934 13.023,935 4.417,936 20.277,937 10.186,938 3.248,939 -0.188,940 18.46,941 1.313,942 11.561,943 14.422,945 22.593,946 11.221,947 3.218,948 11.237,949 20.327,950 -0.433,951 12.742,952 15.961,953 5.291,954 25.011,955 12.367,956 2.904,957 11.103,958 22.2,959 4.579,960 13.856,961 17.418,963 27.374,964 13.455,965 2.86,966 9.486,967 24.079,968 4.489,969 15.019,970 18.936,971 6.188,972 29.78,973 14.586,974 2.388,975 9.22,976 25.961,977 3.899,978 16.157,979 20.421,981 32.165,982 15.698,983 1.926,984 7.804,985 27.846,986 3.254,987 17.315,988 21.932,989 7.095,990 34.568,991 16.828,992 1.736,993 5.293,994 29.735,995 2.81,996 18.464,997 23.429,999 36.965,1000 17.952,1001 13044,1002 25117,1003 22.076,1004 32.432,1005 52.104,1006 54.254,1007 54.192,1008 51.83,1009 51.931,1010 67.779,1011 7.2,1012 156.713,1013 49.1,1014 5.683,1015 6.473,1016 6.494,1017 5.347,1018 5.248,1019 7.579,1020 3.158,1021 18.642,1022 5.208,1023 17.803,1024 1.532,1025 1.596,1026 1.594,1027 1.524,1028 1.527,1029 1.994,1030 0.212,1031 4.609,1032 1.444,1033 4.108,1034 4.157,1035 4.709,1036 3.924,1037 7.725,1038 3.947,1039 3.987,1040 3.976,1041 4.078,1042 3.874,1043 7.428,1044 3.863,1045 3.853,1046 3.848,1047 3.856,1048 3.763,1049 6.999,1050 3.687,1051 3.745,1052 3.741,1053 3.69,1054 3.58,1055 6.469,1056 3.566,1057 3.34,1058 3.421,1059 3.267,1060 3.088,1061 6.449,1062 3.12,1063 3.199,1064 3.221,1065 3.17,1066 2.985,1067 5.272,1068 3.007,1069 3.048,1070 3.106,1071 2.923,1072 2.849,1073 4.861,1074 2.84,1075 2.987,1076 3.081,1077 2.86,1078 2.746,1079 4.614,1080 2.749,1081 0.138,1082 0.132,1083 0.2,1084 0.124,1085 0.096,1086 4.705,1087 0.135,1088 4.473,1089 0.046,1090 6.809,1091 0.33,1092 4.232,1093 0.094,1094 3.248,1095 4.579,1096 1.579,1097 11.237,1098 3.208,1099 1.897,1100 1.883,1101 1.991,1102 2.008,1103 1.216,1104 2.006,1105 1.799,1106 1.751,1107 1.869,1108 2.004,1109 1.065,1110 1.967,1111 1.65,1112 1.676,1113 1.794,1114 1.857,1115 1.008,1116 1.87,1117 1.562,1118 1.532,1119 1.666,1120 1.801,1121 0.779,1122 1.784,1123 1.441,1124 1.418,1125 1.382,1126 1.681,1127 0.569,1128 1.68,1129 1.133,1130 1.076,1131 1.327,1132 1.412,1133 0.427,1134 1.399,1135 1.017,1136 1.012,1137 1.148,1138 1.261,1139 0.208,1140 1.233,1141 0.883,1142 0.839,1143 1.141,1144 1.221,1145 0.156,1146 1.208,1147 4.234,1149 5.595,1150 3.045,1151 7.132,1152 5.416,1153 8.747,1154 7.526,1155 10.403,1161 5.755,1162 19.92,1163 -0.432,1164 1.689,1165 10.491,1166 -2.745,1170 32.48,1171 95.414,1172 216.45,1173 255.121,1174 265.121,1175 267.121,1176 267.121,1177 84.639,1178 7.767,1179 191.78,1180 200.16,1181 22,1182 12.767,1183 4.322,1184 3.585,1185 49.663,1186 142,1187 123,1188 0.17,1189 200.718,1190 345.44,1191 481.512,1192 27544,1194 22.173,1195 0.715,1196 0.537,1197 22.423,1198 16.637,1199 14.749,1200 0.434,1201 0.306,1202 8.895,1203 13.086,1204 8.719,1205 7.116,1206 15.602,1207 10.418,1208 14.256,1209 0.285,1210 0.161,1211 15.565,1212 8.05,1213 11.527,1214 0.177,1215 0.085,1216 12.374,1217 5.537,1218 9.771,1219 0.115,1220 0.045,1221 10.622,1222 3.846,1223 7.028,1224 0.072,1225 0.025,1226 7.782,1227 2.498,1228 0.271,1229 104,1230 0.213,1231 29.373,1232 0.451,1233 168,1234 652.063,1235 232.226,1236 626.618,1237 830.67,1238 576,1239 199,1240 569.71,1241 273.996,1242 603.224,1243 887.73,1244 564,1245 8.456}
{0 CHEMBL609111,1 2.074,2 12.636,3 -0.486,4 0.236,5 114.081,6 10.907,7 0.444,8 4.097,9 4.168,10 4.063,11 3.541,12 5.358,13 3.587,14 4.628,15 4.721,16 4.46,17 3.922,18 6.146,19 3.971,20 4.876,21 4.999,22 4.577,23 4.064,24 6.3,25 4.08,26 4.957,27 5.098,28 4.674,29 4.044,30 6.525,31 4.055,32 4.889,33 5.038,34 4.767,35 4.036,36 6.315,37 4.015,38 4.827,39 4.938,40 4.497,41 3.917,42 6.496,43 3.925,44 4.758,45 4.895,46 4.206,47 3.75,48 6.356,49 3.764,50 4.574,51 4.734,52 4.205,53 3.672,54 6.005,55 3.646,56 0.439,57 0.793,58 6.386,59 4.379,60 65.878,61 3.484,62 1.105,63 1.196,64 12.709,65 6.969,66 118.729,67 6.418,68 1.556,69 1.371,70 22.309,71 10.191,72 178.823,73 9.188,74 1.877,75 1.37,76 33.262,77 10.447,78 244.293,79 9.327,80 1.642,81 1.276,82 38.891,83 10.848,84 185.451,85 9.551,86 1.659,87 1.151,88 56.614,89 10.912,90 234.155,91 8.824,92 1.671,93 1.034,94 36.189,95 8.516,96 217.066,97 7.037,98 1.151,99 0.941,100 26.856,101 7.549,102 168.363,103 6.975,104 65,105 54,106 0.346,107 0.747,108 0.858,109 0.907,110 0.921,111 0.921,112 3.532,113 0.953,114 -2.78,115 -2.8,116 -2.71,118 1,119 34,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,150 1,151 1,152 1,153 1,154 1,157 4,159 7,160 3,162 1,163 5,165 3,166 4,168 3,169 1,170 1,171 4,172 1,173 3,175 2,177 6,178 7,180 2,181 5,182 1,183 3,187 3,188 5,190 4,192 3,195 1,197 1,198 6,200 1,201 8,202 1,203 1,211 5,212 5,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 6,235 5,237 1,238 5,240 3,246 1876,247 21.413,248 21.413,249 21.413,250 21.413,251 21.413,252 18.95,253 20.688,254 12.078,255 22.103,256 17.674,257 17.674,258 17.674,259 17.674,260 17.674,261 13.899,262 21.795,263 5.659,264 18.978,265 3.57,266 1.163,267 0.495,268 0.2,269 0.12,270 0.12,271 4.216,276 898,277 4.183,280 172.912,281 223.079,282 146.489,284 1.912,285 73.141,286 0.25,287 0.5,288 0.5,289 0.3,291 0.33,292 0.5,293 0.34,294 76.75,295 417,296 4.717,297 4.473,298 7.058,299 4.275,300 3.362,301 4.659,302 1.579,303 12.123,304 3.209,305 4.703,306 3.641,307 6.765,308 4.224,309 3.237,310 4.489,311 1.041,312 11.106,313 3.055,314 4.278,315 3.554,316 6.546,317 3.952,318 3.017,319 3.899,320 0.98,321 10.174,322 2.858,323 4.142,324 3.247,325 6.341,326 3.872,327 2.882,328 3.402,330 9.48,331 2.804,332 3.759,333 2.702,334 5.998,335 3.371,336 2.464,337 2.984,339 8.223,340 2.222,341 3.357,342 2.676,343 5.299,344 2.931,345 1.971,346 2.592,347 6.028,348 1.909,349 3.238,350 2.387,351 4.966,352 2.847,353 1.908,354 2.552,355 5.281,356 1.754,357 3.036,358 2.21,359 4.866,360 2.648,361 1.795,362 2.131,363 5.162,364 1.474,365 2.861,366 1.923,367 4.734,368 2.467,369 1.58,370 2.015,371 4.635,372 1.393,373 2.855,374 1.543,375 4.188,376 2.392,377 1.414,378 1.955,379 3.444,380 1.377,381 2.623,382 1.469,383 3.895,384 2.24,385 1.367,386 1.633,387 3.07,388 1.12,389 2.549,390 1.448,391 3.623,392 2.051,393 1.046,394 1.511,395 2.616,396 1.045,397 2.101,398 1.311,399 3.598,400 1.686,401 0.796,402 0.998,403 2.115,404 0.702,405 1.773,406 1.11,407 3.435,408 1.553,409 0.69,410 0.729,411 1.682,412 0.59,413 1.228,414 0.75,415 2.953,416 0.886,417 0.054,418 0.059,419 0.128,420 0.041,421 15.733,422 0.477,423 1.171,424 0.035,425 42.75,426 1.295,427 19.5,428 0.591,429 23.25,430 0.705,431 30.543,432 0.926,433 37.067,434 0.741,435 37.168,436 1.126,437 8.31,438 0.252,439 7.277,440 0.221,441 0.237,442 0.053,443 0.375,447 0.923,448 1.528,449 0.541,450 1.121,451 0.924,452 0.816,453 0.779,454 1.035,455 0.589,456 0.887,457 0.666,458 0.888,459 1.037,460 1.157,461 0.724,462 0.957,463 0.949,464 0.976,465 1.074,466 0.933,467 0.985,468 0.949,469 1.028,470 0.98,471 1.066,472 0.944,473 1.309,474 1.093,475 1.077,476 0.915,477 1.177,478 1.097,479 1.906,480 1.584,481 1.158,482 1.239,483 1.344,484 0.811,485 1.188,486 1.031,487 1.426,488 1.143,489 1.152,490 1.068,491 0.419,492 0.849,493 1.249,494 1.036,495 8,496 0.296,497 5.111,498 4.118,499 2.456,500 1.677,501 0.961,502 0.547,503 0.463,504 0.313,505 15336,506 62178,507 2.001,508 34,510 9,511 1,512 1,513 6,518 1.752,519 1.808,520 3.583,521 3.367,524 103.709,525 2.074,526 4.481,527 5.149,528 5.444,529 5.524,530 5.524,531 3.017,532 4.741,533 5.019,534 3.796,535 2004.26,536 8.783,537 29975.3,539 282.193,540 1.71,541 4.933,542 0.222,543 0.01,544 0.095,545 0.074,546 0.046,547 0.034,548 0.02,549 0.015,550 0.014,551 0.009,552 0.538,553 0.17,554 0.75,555 0.648,556 175.371,557 -0.176,558 -0.262,559 0.026,560 -0.1,561 -0.237,562 0.052,563 0.132,564 0.103,565 0.01,566 -0.017,567 0.103,568 -0.048,569 -0.043,570 -0.147,571 0.007,572 -0.016,573 -0.056,574 -0.035,575 -0.001,576 0.029,577 0.002,578 0.017,579 0.035,580 -0.035,581 -0.034,582 0.026,583 0.052,584 0.068,585 -0.078,586 0.115,587 -0.027,588 -0.121,589 -0.305,590 -0.31,591 0.073,592 -0.237,593 -0.149,594 0.106,595 -0.202,596 -0.076,597 -0.139,598 -0.221,599 -0.149,600 -0.123,601 0.131,602 0.045,603 -0.147,604 -0.05,605 5.559,606 5.158,607 0.606,608 32.995,609 1.057,610 1.138,611 1.553,612 2.412,613 0.685,614 3.611,615 4.007,616 4.29,617 4.575,618 4.754,619 4.844,620 4.942,621 5.056,622 5.069,623 5.081,624 7.512,625 0.684,626 545.37,627 3.611,628 5.198,629 6.071,630 6.986,631 7.877,632 8.795,633 9.694,634 10.614,635 11.519,636 12.44,637 12,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,665 1,666 50,667 19,668 1,669 36,670 1,671 53,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 17,701 13,702 6,703 16,704 2,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,734 1,739 33,740 1,742 1,743 3,744 1,745 1,746 2,747 4,753 1,754 16,755 2,756 1,757 3,758 2,761 18.25,762 8.376,763 7.028,764 2.476,765 2.868,766 1.363,767 0.915,768 6.678,769 10.762,770 3.871,771 4.53,772 5.047,773 5.635,774 6.083,775 6.334,776 6.643,777 6.965,778 6.948,779 7.024,780 1,781 56,782 12.922,783 6.415,784 8.399,785 21.885,786 18.297,787 2.899,788 95.667,789 129.482,790 74.902,791 147.512,793 217.053,795 7.511,796 113.345,797 346.535,798 101.558,800 20.997,801 163.68,802 200.234,803 18.045,804 14.099,805 151.894,807 129.482,808 168.949,809 217.053,810 7.511,811 45.954,812 129.482,813 112.141,814 104.912,815 37.572,816 81.02,817 57.868,818 45.954,819 129.482,820 318.611,821 120.856,823 7.511,824 129.482,825 20.867,826 48.423,827 62.359,828 300.307,829 129.482,830 318.611,831 120.856,833 0.604,834 0.358,835 0.19,836 0.099,837 27,838 14,839 0.113,840 6,841 1,842 1.1,843 4.217,844 311.729,845 0.1,846 20,847 164.465,848 1,849 23.934,850 9.207,851 4.724,852 0.429,853 316.712,854 6.501,855 12.04,856 -0.451,857 1.315,858 177.352,859 568.95,860 47,862 -4.643,863 36.418,866 -1.12,867 52.836,868 56.918,869 0.368,870 0.794,871 0.912,872 0.965,873 0.979,874 0.979,875 5.159,876 1.795,877 6.125,878 5.281,879 4.691,880 5.218,881 2.31,882 7.026,883 4.558,884 6.417,885 1.58,886 7.753,887 5.162,888 4.575,889 5.38,891 8.222,892 4.406,893 7.782,894 1.414,895 9.485,896 4.635,897 6.418,898 7.544,899 2.87,900 11.289,901 6.19,902 9.186,903 1.367,904 11.275,905 3.444,906 7.074,907 8.496,909 13.25,910 6.813,911 10.622,912 1.046,913 13.099,914 3.07,915 8.469,916 10.234,917 3.593,918 15.894,919 8.154,920 12.081,921 0.796,922 14.947,923 2.616,924 9.436,925 11.509,927 18.144,928 9.081,929 13.557,930 0.69,931 16.811,932 2.115,933 10.681,934 13.104,935 4.417,936 20.656,937 10.277,938 3.362,939 0.054,940 18.688,941 1.682,942 11.773,943 14.514,945 23.023,946 11.322,947 3.237,948 12.123,949 20.573,950 0.128,951 12.969,952 16.058,953 5.291,954 25.494,955 12.47,956 3.017,957 11.106,958 22.466,959 4.659,960 14.112,961 17.528,963 27.913,964 13.564,965 2.882,966 10.174,967 24.364,968 4.489,969 15.294,970 19.053,971 6.188,972 30.375,973 14.698,974 2.464,975 9.48,976 26.268,977 3.899,978 16.458,979 20.55,981 32.818,982 15.813,983 1.971,984 8.223,985 28.175,986 3.402,987 17.639,988 22.071,989 7.095,990 35.281,991 16.944,992 1.908,993 6.028,994 30.086,995 2.984,996 18.815,997 23.581,999 37.739,1000 18.07,1001 14704,1002 29792,1003 22.887,1004 34.239,1005 55.429,1006 58.198,1007 58.623,1008 55.196,1009 55.166,1010 71.213,1011 7.2,1012 170.532,1013 51.104,1014 5.695,1015 6.473,1016 6.743,1017 5.391,1018 5.362,1019 7.659,1020 3.158,1021 19.851,1022 5.209,1023 21.25,1024 1.54,1025 1.617,1026 1.628,1027 1.533,1028 1.532,1029 1.978,1030 0.2,1031 4.737,1032 1.42,1033 4.111,1034 4.155,1035 6.881,1036 3.937,1037 7.725,1038 3.959,1039 3.987,1040 3.976,1041 4.709,1042 3.881,1043 7.428,1044 3.864,1045 3.854,1046 3.849,1047 4.03,1048 3.764,1049 6.999,1050 3.689,1051 3.753,1052 3.742,1053 3.856,1054 3.579,1055 6.495,1056 3.57,1057 3.347,1058 3.416,1059 3.711,1060 3.15,1061 6.468,1062 3.151,1063 3.206,1064 3.227,1065 3.201,1066 2.993,1067 6.4,1068 3.013,1069 3.078,1070 3.106,1071 3.164,1072 2.88,1073 5.267,1074 2.867,1075 2.99,1076 3.091,1077 2.952,1078 2.746,1079 4.851,1080 2.749,1081 0.131,1082 0.124,1083 0.196,1084 0.119,1085 0.093,1086 4.717,1087 0.129,1088 4.473,1089 0.044,1090 7.058,1091 0.337,1092 4.275,1093 0.089,1094 3.362,1095 4.659,1096 1.579,1097 12.123,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.007,1103 1.172,1104 2.006,1105 1.797,1106 1.751,1107 1.845,1108 2.004,1109 1.065,1110 1.964,1111 1.645,1112 1.676,1113 1.777,1114 1.858,1115 0.998,1116 1.869,1117 1.551,1118 1.532,1119 1.616,1120 1.786,1121 0.757,1122 1.762,1123 1.438,1124 1.421,1125 1.343,1126 1.676,1127 0.568,1128 1.669,1129 1.12,1130 1.084,1131 1.251,1132 1.396,1133 0.386,1134 1.367,1135 1.015,1136 1.017,1137 1.143,1138 1.261,1139 0.2,1140 1.233,1141 0.883,1142 0.839,1143 1.132,1144 1.194,1145 0.12,1146 1.182,1147 4.29,1149 5.666,1150 3.045,1151 7.222,1152 5.533,1153 8.857,1154 7.719,1155 10.535,1156 3.208,1161 5.776,1162 30.519,1163 -0.737,1164 1.64,1165 10.36,1166 -5.587,1170 34.22,1171 103.709,1172 224.054,1173 257.438,1174 272.193,1175 276.193,1176 276.193,1177 99.489,1178 7.894,1179 212.01,1180 220.39,1181 22,1182 12.951,1183 4.322,1184 3.585,1185 54.512,1186 150,1187 141,1188 0.177,1189 216.628,1190 373.51,1191 520.332,1192 31141,1193 2,1194 23.913,1195 0.725,1196 0.571,1197 25.163,1198 18.841,1199 15.587,1200 0.433,1201 0.318,1202 9.157,1203 13.383,1204 8.946,1205 7.27,1206 17.018,1207 11.439,1208 15.214,1209 0.282,1210 0.166,1211 17.265,1212 8.973,1213 12.566,1214 0.175,1215 0.087,1216 14.034,1217 6.249,1218 10.537,1219 0.11,1220 0.047,1221 12.154,1222 4.482,1223 7.961,1224 0.069,1225 0.026,1226 9.61,1227 3.042,1228 0.28,1229 117.895,1230 0.209,1231 30.679,1232 0.477,1233 180,1234 716.867,1235 316.632,1236 722.048,1237 944.1,1238 662,1239 216,1240 621.42,1241 328.678,1242 666.531,1243 989.65,1244 623,1245 5.688}
{0 CHEMBL609979,1 2.003,2 12.794,3 -1.309,4 1.713,5 112.087,6 9.715,7 0.432,8 4.12,9 4.197,10 3.997,11 3.517,12 5.424,13 3.585,14 4.653,15 4.749,16 4.32,17 3.91,18 6.245,19 3.975,20 4.891,21 5.021,22 4.409,23 4.021,24 6.33,25 4.07,26 4.989,27 5.137,28 4.435,29 4.001,30 6.555,31 4.057,32 4.94,33 5.093,34 4.41,35 3.944,36 6.535,37 3.977,38 4.848,39 4.979,40 4.353,41 3.844,42 6.412,43 3.899,44 4.806,45 4.933,46 4.202,47 3.72,48 6.668,49 3.787,50 4.584,51 4.749,52 3.948,53 3.635,54 6.029,55 3.647,56 0.474,57 0.822,58 9.054,59 4.003,60 68.959,61 3.634,62 1.21,63 1.219,64 14.749,65 6.88,66 150.003,67 6.575,68 1.617,69 1.389,70 25.002,71 8.964,72 196.105,73 9.086,74 1.943,75 1.376,76 29.211,77 8.979,78 256.474,79 8.929,80 1.927,81 1.267,82 32.098,83 8.963,84 254.86,85 9.064,86 1.671,87 1.126,88 32.907,89 8.615,90 253.028,91 8.006,92 2.026,93 1.005,94 25.81,95 7.21,96 313.097,97 6.978,98 1.18,99 0.932,100 20.711,101 6.303,102 175.02,103 6.969,104 66,105 55,106 0.33,107 0.737,108 0.849,109 0.896,110 0.909,111 0.909,112 3.56,113 0.883,114 -2.35,115 -2.39,116 -2.34,119 33.3,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 4,159 8,160 3,162 1,163 5,165 1,166 4,168 3,169 7,170 1,171 4,172 1,173 1,175 2,177 7,178 10,180 2,181 5,183 2,187 5,188 6,190 6,192 1,197 4,198 6,200 1,201 5,202 1,211 11,212 4,215 4,216 2,219 1,224 1,227 2,228 1,229 1,231 1,234 7,235 3,237 1,238 4,240 2,246 1990,247 22.121,248 22.121,249 22.121,250 22.121,251 22.121,252 19.458,253 23.514,254 12.528,255 22.671,256 18.168,257 18.168,258 18.168,259 18.168,260 18.168,261 14.081,262 27.742,263 5.842,264 19.144,265 3.67,266 1.202,267 0.525,268 0.235,269 0.157,270 0.157,271 4.245,275 1,276 933,277 4.472,280 181.44,281 232.197,282 152.747,284 1.995,285 80.411,286 0.75,287 0.67,288 0.83,289 0.3,291 0.67,292 0.5,293 0.53,294 80.5,295 435,296 4.708,297 4.474,298 6.924,299 4.249,300 3.304,301 4.581,302 2.612,303 11.611,304 3.217,305 4.641,306 3.824,307 6.779,308 4.209,309 3.239,310 4.49,311 1.579,312 11.146,313 3.041,314 4.435,315 3.583,316 6.555,317 3.989,318 3.014,319 4.148,320 1.041,321 10.253,322 2.96,323 4.14,324 3.482,325 6.525,326 3.931,327 2.98,328 3.324,329 0.98,330 10.107,331 2.804,332 3.74,333 3.128,334 5.892,335 3.315,336 2.389,337 3.152,339 7.931,340 2.21,341 3.661,342 2.595,343 5.426,344 3.208,345 2.214,346 2.92,347 6.475,348 2.185,349 3.215,350 2.332,351 5.235,352 2.827,353 1.9,354 2.472,355 5.869,356 1.751,357 3.058,358 2.244,359 4.787,360 2.66,361 1.658,362 2.324,363 4.715,364 1.657,365 3.03,366 1.969,367 4.236,368 2.483,369 1.59,370 2.112,371 3.74,372 1.415,373 2.733,374 1.549,375 4.142,376 2.444,377 1.542,378 1.763,379 3.671,380 1.386,381 2.634,382 1.469,383 4.068,384 2.058,385 1.054,386 1.613,387 2.926,388 1.052,389 2.546,390 1.355,391 3.701,392 2,393 1.039,394 1.511,395 2.615,396 1,397 2.413,398 1.268,399 3.466,400 1.945,401 1,402 1.386,403 2.303,404 0.937,405 2.101,406 1.239,407 3.439,408 1.665,409 0.77,410 0.996,411 1.829,412 0.687,413 1.772,414 1,415 3.303,416 1.552,417 0.689,418 0.727,419 1.675,420 0.588,421 15.133,422 0.445,423 1.171,424 0.034,425 46.25,426 1.36,427 22,428 0.647,429 24.25,430 0.713,431 27.002,432 0.794,433 38.867,434 0.762,435 43.098,436 1.268,437 9.244,438 0.272,439 6.843,440 0.201,441 0.181,442 0.055,443 0.383,447 0.77,448 1.554,449 0.717,450 1.356,451 0.787,452 0.898,453 0.762,454 1.014,455 0.798,456 0.946,457 0.596,458 0.923,459 0.969,460 1.237,461 0.969,462 1.162,463 0.827,464 1.075,465 1.127,466 0.946,467 1.036,468 0.973,469 1.036,470 1.002,471 1.072,472 0.925,473 1.15,474 1.04,475 1.041,476 0.967,477 1.216,478 1.048,479 1.382,480 1.379,481 1.28,482 1.066,483 1.106,484 0.759,485 1.181,486 0.877,487 1.079,488 1.025,489 1.064,490 1.119,491 1.096,492 1.162,493 1.022,494 1.151,495 8,496 0.312,497 5.333,498 3.799,499 2.456,500 1.531,501 1.124,502 0.578,503 0.389,504 0.333,505 16863,506 69253,507 2.001,508 33.3,510 9,511 1,512 2,513 5,518 1.759,519 1.813,520 3.627,521 2.541,524 102.139,525 2.003,526 4.471,527 5.148,528 5.437,529 5.516,530 5.516,531 3.033,532 4.617,533 5.063,534 3.85,535 2159.86,536 8.867,537 33393.7,539 289.294,540 1.701,541 4.979,542 0.216,543 0.009,544 0.097,545 0.067,546 0.045,547 0.031,548 0.024,549 0.014,550 0.012,551 0.01,552 0.524,553 0.17,554 0.75,555 0.79,556 183.046,557 -0.062,558 -0.242,559 0.153,560 -0.134,561 -0.164,562 0.028,563 0.122,564 0.136,565 -0.041,566 0.047,567 0.143,568 -0.031,569 -0.034,570 -0.208,571 -0.031,572 -0.127,573 -0.032,574 -0.089,575 -0.098,576 0.017,577 -0.047,578 -0.014,579 -0.044,580 -0.046,581 -0.015,582 0.025,583 0.023,584 0.043,585 0.008,586 0.037,587 -0.107,588 -0.074,589 -0.098,590 -0.17,591 -0.144,592 -0.062,593 0.124,594 0.125,595 -0.152,596 0.06,597 0.196,598 -0.109,599 -0.132,600 -0.16,601 -0.05,602 -0.127,603 -0.085,604 -0.103,605 5.679,606 5.23,607 0.588,608 34.855,609 1.062,610 1.144,611 1.121,612 1.257,613 0.659,614 3.638,615 4.025,616 4.304,617 4.575,618 4.736,619 4.812,620 4.934,621 5.011,622 5.037,623 5.056,624 7.809,625 0.675,626 495.48,627 3.638,628 5.22,629 6.089,630 6.999,631 7.885,632 8.796,633 9.69,634 10.601,635 11.5,636 12.411,637 13.7,640 1,643 1,644 1,646 3,647 1,650 2,651 6,652 3,653 3,654 1,655 16,659 1,661 1,666 51,667 21,668 1,669 37,671 54,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 5,692 1,693 1,694 5,697 1,700 17,701 14,702 5,703 17,704 1,706 1,707 7,711 0.75,712 9,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 34,740 1,742 1,743 2,744 1,745 1,746 2,747 4,754 17.6,755 2,757 3,758 2,760 2,761 18.75,762 8.65,763 7.278,764 2.54,765 3.126,766 1.393,767 0.915,768 6.57,769 11.084,770 3.932,771 4.582,772 5.085,773 5.662,774 6.098,775 6.334,776 6.678,777 6.904,778 6.947,779 7.008,780 1,781 57,782 13.391,783 6.729,784 8.537,785 22.269,786 18.509,787 3.037,788 103.25,789 141.253,790 84.08,791 107.228,793 225.117,795 7.511,796 76.569,797 366.37,798 107.228,799 5.67,800 20.997,801 163.68,802 177.941,803 18.604,804 14.099,805 105.94,806 50.747,807 141.253,808 183.797,809 225.117,810 7.511,812 141.253,813 69.458,814 155.659,815 43.993,816 83.777,817 63.538,819 141.253,820 332.345,821 84.08,823 7.511,824 141.253,825 21.427,826 62.711,827 16.405,828 308.371,829 141.253,830 332.345,831 84.08,833 0.601,834 0.355,835 0.189,836 0.098,837 27,838 14,839 0.13,840 7,841 1,842 1.1,843 4.311,844 321.61,845 0.1,846 20,847 168.974,848 1,849 24.06,850 9.284,851 4.777,852 0.433,853 324.776,854 7.149,855 11.835,856 -1.023,857 1.284,858 134.669,859 557.678,860 50,861 -0.842,862 -4.763,863 58.701,866 -1.291,867 54.153,868 58.369,869 0.353,870 0.788,871 0.908,872 0.959,873 0.972,874 0.972,875 5.209,876 1.658,877 6.138,878 5.869,879 4.71,880 5.27,881 3.058,882 7.031,883 4.608,884 6.465,885 1.59,886 7.762,887 4.715,888 4.575,889 5.427,890 2.361,891 8.222,892 4.46,893 7.828,894 1.542,895 9.49,896 3.74,897 6.428,898 7.593,899 4.386,900 11.276,901 6.244,902 9.229,903 1.054,904 11.277,905 3.671,906 7.074,907 8.545,908 4.506,909 13.225,910 6.871,911 10.662,912 1.039,913 13.099,914 2.926,915 8.469,916 10.273,917 6.036,918 15.85,919 8.212,920 12.118,921 1,922 14.943,923 2.615,924 9.426,925 11.542,926 6.556,927 18.074,928 9.141,929 13.59,930 0.77,931 16.804,932 2.303,933 10.667,934 13.125,935 7.827,936 20.562,937 10.337,938 3.304,939 0.689,940 18.675,941 1.829,942 11.747,943 14.526,944 8.548,945 22.896,946 11.385,947 3.239,948 11.611,949 20.555,950 1.675,951 12.936,952 16.057,953 9.682,954 25.336,955 12.533,956 3.014,957 11.146,958 22.44,959 4.581,960 14.067,961 17.514,962 10.509,963 27.716,964 13.629,965 2.98,966 10.253,967 24.331,968 4.49,969 15.239,970 19.026,971 11.568,972 30.142,973 14.764,974 2.389,975 10.107,976 26.225,977 4.148,978 16.391,979 20.508,980 12.452,981 32.543,982 15.881,983 2.214,984 7.931,985 28.123,986 3.324,987 17.56,988 22.015,989 13.469,990 34.966,991 17.014,992 1.9,993 6.475,994 30.023,995 3.152,996 18.722,997 23.509,998 14.386,999 37.379,1000 18.141,1001 16181,1002 32986,1003 23.581,1004 33.585,1005 57.117,1006 60.427,1007 59.769,1008 56.696,1009 56.763,1010 75.038,1011 12.425,1012 173.732,1013 53.781,1014 5.686,1015 6.474,1016 6.603,1017 5.365,1018 5.304,1019 7.581,1020 4.612,1021 19.32,1022 5.217,1023 21.868,1024 1.544,1025 1.633,1026 1.615,1027 1.532,1028 1.534,1029 2.028,1030 0.336,1031 4.695,1032 1.454,1033 4.112,1034 4.158,1035 4.71,1036 3.934,1037 7.815,1038 3.951,1039 4.025,1040 4.036,1041 4.081,1042 3.883,1043 7.724,1044 3.895,1045 3.895,1046 3.867,1047 3.958,1048 3.777,1049 7.427,1050 3.694,1051 3.758,1052 3.753,1053 3.711,1054 3.579,1055 6.999,1056 3.572,1057 3.48,1058 3.501,1059 3.455,1060 3.088,1061 6.999,1062 3.133,1063 3.34,1064 3.42,1065 3.266,1066 3.043,1067 6.494,1068 3.12,1069 3.204,1070 3.227,1071 3.17,1072 2.964,1073 6.4,1074 3,1075 3.075,1076 3.106,1077 2.969,1078 2.853,1079 5.271,1080 2.855,1081 0.127,1082 0.121,1083 0.187,1084 0.115,1085 0.089,1086 4.708,1087 0.124,1088 4.474,1089 0.071,1090 6.924,1091 0.314,1092 4.249,1093 0.087,1094 3.304,1095 4.581,1096 2.612,1097 11.611,1098 3.217,1099 1.931,1100 1.912,1101 2.013,1102 2.094,1103 1.172,1104 2.059,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.098,1110 1.965,1111 1.647,1112 1.679,1113 1.777,1114 1.871,1115 0.997,1116 1.878,1117 1.554,1118 1.531,1119 1.651,1120 1.806,1121 0.757,1122 1.776,1123 1.442,1124 1.419,1125 1.368,1126 1.706,1127 0.569,1128 1.683,1129 1.196,1130 1.166,1131 1.326,1132 1.638,1133 0.406,1134 1.551,1135 1.126,1136 1.075,1137 1.271,1138 1.426,1139 0.214,1140 1.399,1141 1.007,1142 1.006,1143 1.148,1144 1.259,1145 0.197,1146 1.229,1147 4.317,1149 5.687,1150 3.045,1151 7.236,1152 5.476,1153 8.866,1154 7.627,1155 10.539,1161 5.722,1162 20.702,1163 -0.794,1164 1.548,1165 10.245,1166 -5.657,1170 34.404,1171 102.139,1172 228.009,1173 262.539,1174 277.294,1175 281.294,1176 281.294,1177 109.496,1178 7.958,1179 237.6,1180 245.98,1181 22,1182 12.928,1183 4.459,1184 3.807,1185 57.093,1186 163,1187 128,1188 0.171,1189 212.577,1190 371.38,1191 510.449,1192 34750,1194 24.621,1195 0.724,1196 0.523,1197 24.871,1198 17.771,1199 16.087,1200 0.435,1201 0.294,1202 9.323,1203 14.193,1204 9.177,1205 7.478,1206 16.941,1207 10.891,1208 15.595,1209 0.284,1210 0.153,1211 16.905,1212 8.421,1213 12.763,1214 0.175,1215 0.08,1216 13.611,1217 5.831,1218 10.654,1219 0.111,1220 0.042,1221 11.504,1222 4.042,1223 8.03,1224 0.071,1225 0.023,1226 8.764,1227 2.624,1228 0.273,1229 113.928,1230 0.206,1231 31.525,1232 0.458,1233 184,1234 781.179,1235 254.402,1236 741.689,1237 969.39,1238 678,1239 220,1240 665.317,1241 302.42,1242 691.607,1243 1016.97,1244 645,1245 5.135}
{0 CHEMBL611766,1 1.871,2 16.651,3 1.218,4 1.484,5 150.389,6 8.551,7 0.438,8 4.436,9 4.535,10 4.201,11 3.871,12 5.604,13 3.901,14 5.002,15 5.137,16 4.546,17 4.295,18 6.339,19 4.307,20 5.288,21 5.473,22 4.62,23 4.412,24 6.529,25 4.396,26 5.343,27 5.543,28 4.641,29 4.368,30 6.724,31 4.362,32 5.251,33 5.451,34 4.623,35 4.303,36 6.53,37 4.303,38 5.189,39 5.355,40 4.618,41 4.243,42 6.701,43 4.281,44 5.163,45 5.337,46 4.477,47 4.199,48 6.606,49 4.224,50 5.071,51 5.242,52 4.425,53 4.197,54 6.407,55 4.202,56 0.416,57 1.165,58 15.954,59 6.128,60 56.194,61 6.937,62 1.179,63 1.815,64 27.306,65 10.815,66 120.589,67 12.979,68 1.659,69 2.105,70 45.205,71 14.096,72 176.269,73 18.052,74 2.083,75 2.101,76 49.748,77 13.186,78 246.844,79 17.284,80 1.799,81 1.971,82 47.899,83 11.628,84 174.319,85 14.821,86 1.861,87 1.862,88 44.957,89 10.417,90 235.147,91 12.633,92 1.904,93 1.762,94 39.43,95 9.602,96 215.102,97 11.849,98 1.334,99 1.718,100 34.118,101 9.451,102 160.306,103 12.102,104 50,105 71,106 0.288,107 0.677,108 0.811,109 0.869,110 0.889,111 0.889,112 3.788,113 0.935,114 -4,115 -3.95,116 -3.74,119 34.7,121 5,122 1,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 10,159 10,160 2,162 1,163 5,165 3,166 10,168 5,169 5,170 1,171 4,172 1,173 3,175 5,177 9,178 11,180 3,181 6,182 1,183 3,187 5,188 11,189 1,190 5,192 1,197 4,198 12,200 2,201 9,202 1,211 7,212 9,215 5,216 2,217 1,219 1,221 1,223 1,224 6,227 4,228 1,229 3,231 1,233 2,234 7,235 8,237 1,238 7,240 4,244 2,246 4201,247 28.654,248 28.654,249 28.654,250 28.654,251 28.654,252 25.764,253 31.893,254 16.396,255 29.265,256 23.644,257 23.644,258 23.644,259 23.644,260 23.644,261 19.099,262 35.819,263 7.763,264 24.783,265 4.299,266 1.773,267 0.899,268 0.521,269 0.389,270 0.389,271 4.493,276 1575,277 4.359,280 350.931,281 441.728,282 192.619,284 2.729,285 82.877,286 0.25,287 0.33,288 0.5,289 0.5,290 0.5,291 0.33,292 0.5,293 0.42,294 98.5,295 716,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.294,315 3.552,316 6.557,317 4.004,318 3.066,319 3.901,320 0.98,321 10.256,322 2.885,323 4.278,324 3.232,325 6.341,326 3.891,327 2.924,328 3.899,330 9.493,331 2.855,332 4.134,333 3.098,334 6.269,335 3.869,336 2.881,337 3.352,339 9.474,340 2.802,341 3.812,342 2.773,343 5.996,344 3.537,345 2.592,346 3.088,347 8.523,348 2.443,349 3.628,350 2.677,351 5.861,352 3.29,353 2.357,354 2.899,355 7.86,356 2.189,357 3.357,358 2.547,359 5.246,360 2.928,361 1.943,362 2.592,363 5.917,364 1.908,365 3.16,366 2.244,367 4.868,368 2.856,369 1.891,370 2.323,371 5.163,372 1.821,373 3.042,374 1.969,375 4.794,376 2.818,377 1.877,378 2.12,379 5.035,380 1.746,381 2.861,382 1.903,383 4.674,384 2.478,385 1.587,386 2.015,387 4.749,388 1.411,389 2.766,390 1.543,391 4.192,392 2.419,393 1.456,394 1.823,395 3.672,396 1.395,397 2.707,398 1.496,399 4.136,400 2.392,401 1.414,402 1.737,403 3.07,404 1.377,405 2.55,406 1.469,407 3.894,408 2.055,409 1.129,410 1.512,411 2.99,412 1.047,413 2.469,414 1.311,415 3.67,416 2.05,417 1.046,418 1.46,419 2.617,420 1.04,421 19.6,422 0.456,423 1.321,424 0.031,425 53.5,426 1.244,427 23.5,428 0.547,429 30,430 0.698,431 42.896,432 0.998,433 48.8,434 0.678,435 51,436 1.186,437 9.995,438 0.232,439 10.614,440 0.247,441 0.122,442 0.043,443 0.372,447 0.82,448 1.459,449 0.751,450 1.31,451 0.839,452 0.947,453 0.694,454 1.099,455 0.79,456 1.054,457 0.587,458 1.013,459 0.868,460 1.173,461 0.889,462 1.107,463 0.802,464 1.032,465 0.972,466 0.981,467 0.918,468 0.919,469 0.911,470 0.929,471 1.085,472 1.01,473 1.029,474 0.942,475 1.038,476 0.847,477 1.154,478 1.114,479 1.241,480 1.148,481 1.114,482 0.939,483 1.312,484 0.916,485 1.16,486 0.847,487 1.307,488 0.942,489 1.162,490 1.163,491 1.071,492 1.067,493 1.124,494 1.064,495 9.5,496 0.437,497 6.222,498 3.799,499 2.858,500 2.014,501 1.193,502 0.807,503 0.73,504 0.508,505 34821,506 107582,507 2.091,508 40.3,509 10,510 9,511 2,512 1,513 6,514 1,518 1.816,519 1.933,520 3.975,521 3.032,524 134.727,525 1.871,526 4.397,527 5.271,528 5.649,529 5.781,530 5.781,531 3.485,532 5.194,533 5.394,534 4.181,535 3775.27,536 9.541,537 69889.7,539 444.235,540 1.596,541 5.342,542 0.198,543 0.008,544 0.088,545 0.053,546 0.041,547 0.03,548 0.017,549 0.013,550 0.013,551 0.009,552 0.469,553 0.17,554 0.63,555 0.553,556 249.788,557 -0.063,558 -0.147,559 0.151,560 -0.098,561 -0.159,562 0.034,563 0.195,564 0.063,565 0.021,566 -0.031,567 0.154,568 -0.057,569 0.079,570 -0.169,571 0.068,572 -0.092,573 0.04,574 -0.029,575 0.086,576 -0.008,577 0.08,578 0.019,579 0.109,580 0.023,581 -0.035,582 0.01,583 0.081,584 0.067,585 -0.059,586 0.097,587 0.026,588 -0.038,589 -0.098,590 -0.101,591 0.103,592 -0.042,593 -0.096,594 0.113,595 -0.192,596 0.048,597 -0.074,598 -0.074,599 -0.143,600 -0.092,601 -0.138,602 -0.1,603 -0.091,604 -0.137,605 5.6,606 5.373,607 0.721,608 61.43,609 1.034,610 1.142,611 2.77,612 7.673,613 0.652,614 3.892,615 4.277,616 4.575,617 4.86,618 5.056,619 5.215,620 5.38,621 5.565,622 5.71,623 5.849,624 9.504,625 0.644,626 615.7,627 3.892,628 5.476,629 6.351,630 7.258,631 8.148,632 9.058,633 9.956,634 10.869,635 11.772,636 12.687,637 12.5,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 72,667 24,668 1,669 48,671 77,672 25,673 13,674 2,675 4,676 1,677 6,678 7,683 8,684 1,686 8,688 14,689 11,690 1,691 3,693 1,694 3,697 1,700 29,701 15,702 6,703 18,704 1,706 1,707 9,711 0.833,712 8,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 43,740 1,742 1,743 3,744 6,745 1,746 2,747 5,751 1,754 11.1,755 2,756 1,757 3,758 2,761 22.25,762 12.25,763 9.139,764 4.187,765 3.79,766 1.41,767 0.937,768 8.253,769 13.042,770 4.135,771 4.771,772 5.313,773 5.906,774 6.359,775 6.771,776 7.211,777 7.664,778 8.003,779 8.36,780 1,781 72,782 16.738,783 8.183,784 8.138,785 29.574,786 25.357,787 2.638,788 113.417,789 270.735,790 99.081,791 136.538,793 217.053,795 7.511,796 91.569,797 487.789,798 136.538,800 33.67,801 172.728,802 242.056,803 11.762,804 27.769,805 235.422,807 270.735,808 228.107,809 217.053,810 7.511,812 270.735,813 112.141,814 104.912,815 54.48,816 90.068,817 91.071,819 270.735,820 353.591,821 99.081,823 7.511,824 270.735,825 35.998,826 59.247,827 16.405,828 333.51,829 270.735,830 353.591,831 99.081,833 0.599,834 0.354,835 0.188,836 0.097,837 36,838 17,839 0.104,840 8,841 1,842 1.065,843 5.142,844 456.225,845 0.065,846 31,847 227.329,848 1,849 29.684,850 11.956,851 6.038,852 0.369,853 349.915,854 8.393,855 21.478,856 0.27,857 2.737,858 177.352,859 723.407,860 61.5,862 -4.684,863 37.017,866 -1.125,867 74.447,868 82.232,869 0.303,870 0.713,871 0.854,872 0.916,873 0.937,874 0.937,875 5.422,876 1.943,877 6.382,878 7.86,879 4.963,880 5.46,881 2.31,882 7.259,883 4.867,884 6.655,885 1.891,886 7.99,887 5.917,888 4.745,889 5.521,891 8.377,892 4.616,893 8.003,894 1.877,895 9.701,896 5.163,897 6.658,898 7.739,899 2.87,900 11.443,901 6.476,902 9.39,903 1.587,904 11.47,905 5.035,906 7.245,907 8.631,909 13.339,910 7.027,911 10.811,912 1.456,913 13.276,914 4.749,915 8.665,916 10.378,917 3.593,918 15.959,919 8.401,920 12.255,921 1.414,922 15.105,923 3.672,924 9.582,925 11.613,927 18.149,928 9.279,929 13.717,930 1.129,931 16.951,932 3.07,933 10.83,934 13.2,935 4.417,936 20.627,937 10.485,938 3.319,939 1.046,940 18.808,941 2.99,942 11.886,943 14.582,945 22.94,946 11.5,947 3.235,948 11.665,949 20.674,950 2.617,951 13.073,952 16.113,953 5.291,954 25.373,955 12.646,956 3.066,957 11.105,958 22.547,959 4.624,960 14.189,961 17.561,963 27.741,964 13.72,965 2.924,966 10.256,967 24.426,968 4.489,969 15.357,970 19.074,971 6.188,972 30.162,973 14.848,974 2.881,975 9.493,976 26.309,977 3.901,978 16.5,979 20.554,981 32.559,982 15.949,983 2.592,984 9.474,985 28.196,986 3.899,987 17.664,988 22.063,989 7.095,990 34.979,991 17.073,992 2.357,993 8.523,994 30.086,995 3.352,996 18.82,997 23.559,999 37.391,1000 18.189,1001 32260,1002 57157,1003 31.728,1004 46.949,1005 74,1006 76.24,1007 76.065,1008 73.641,1009 73.607,1010 93.332,1011 7.2,1012 223.422,1013 70.02,1014 5.705,1015 6.473,1016 6.737,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 23.939,1024 1.542,1025 1.588,1026 1.585,1027 1.534,1028 1.533,1029 1.944,1030 0.15,1031 4.655,1032 1.459,1033 4.138,1034 4.191,1035 4.71,1036 3.945,1037 7.725,1038 3.974,1039 3.989,1040 4.001,1041 4.113,1042 3.879,1043 7.428,1044 3.864,1045 3.944,1046 3.977,1047 3.882,1048 3.803,1049 6.999,1050 3.804,1051 3.853,1052 3.857,1053 3.854,1054 3.763,1055 6.495,1056 3.691,1057 3.77,1058 3.785,1059 3.716,1060 3.59,1061 6.468,1062 3.582,1063 3.68,1064 3.72,1065 3.585,1066 3.469,1067 6.4,1068 3.492,1069 3.31,1070 3.388,1071 3.236,1072 3.074,1073 5.287,1074 3.102,1075 3.203,1076 3.227,1077 3.17,1078 2.986,1079 5.057,1080 3.008,1081 0.098,1082 0.093,1083 0.144,1084 0.089,1085 0.069,1086 4.705,1087 0.096,1088 4.473,1089 0.033,1090 6.935,1091 0.243,1092 4.251,1093 0.067,1094 3.319,1095 4.624,1096 1.579,1097 11.665,1098 3.209,1099 1.897,1100 1.883,1101 2.101,1102 2.045,1103 1.492,1104 2.055,1105 1.892,1106 1.842,1107 1.991,1108 2.014,1109 1.172,1110 2.006,1111 1.811,1112 1.764,1113 1.848,1114 2.005,1115 1.065,1116 1.982,1117 1.646,1118 1.676,1119 1.778,1120 1.858,1121 1.002,1122 1.869,1123 1.559,1124 1.535,1125 1.656,1126 1.815,1127 0.893,1128 1.783,1129 1.442,1130 1.421,1131 1.584,1132 1.683,1133 0.825,1134 1.68,1135 1.407,1136 1.352,1137 1.513,1138 1.602,1139 0.771,1140 1.589,1141 1.185,1142 1.11,1143 1.372,1144 1.5,1145 0.571,1146 1.459,1147 4.575,1149 5.943,1150 3.434,1151 7.489,1152 5.82,1153 9.114,1154 7.934,1155 10.782,1161 6.154,1162 31.194,1163 4.77,1164 1.669,1165 10.595,1166 -5.421,1170 46.366,1171 134.727,1172 316.609,1173 379.506,1174 406.725,1175 416.235,1176 416.235,1177 117.235,1178 9.252,1179 242.72,1180 251.1,1181 33,1182 13.201,1183 4.644,1184 3.858,1185 64.008,1186 243,1187 250,1188 0.125,1189 281.194,1190 484.73,1191 677.874,1192 175057,1194 30.302,1195 0.705,1196 0.544,1197 30.552,1198 23.409,1199 20.609,1200 0.429,1201 0.312,1202 13.369,1203 18.691,1204 13.161,1205 10.762,1206 21.463,1207 14.956,1208 19.697,1209 0.277,1210 0.165,1211 21.006,1212 11.737,1213 16.759,1214 0.175,1215 0.088,1216 17.607,1217 8.423,1218 14.151,1219 0.111,1220 0.047,1221 15.002,1222 6.001,1223 10.683,1224 0.068,1225 0.026,1226 11.432,1227 4.086,1228 0.2,1229 141.13,1230 0.178,1231 38.388,1232 0.331,1233 238,1234 837.148,1235 311.018,1236 804.04,1237 1081.73,1238 742,1239 286,1240 771.85,1241 372.699,1242 801.652,1243 1186.95,1244 752,1245 9.495}
{0 CHEMBL611767,1 1.897,2 15.415,3 0.638,4 0.407,5 142.889,6 8.671,7 0.467,8 4.377,9 4.475,10 4.152,11 3.789,12 5.59,13 3.827,14 4.921,15 5.057,16 4.512,17 4.199,18 6.312,19 4.231,20 5.172,21 5.322,22 4.589,23 4.33,24 6.514,25 4.335,26 5.329,27 5.542,28 4.608,29 4.305,30 6.728,31 4.305,32 5.185,33 5.384,34 4.562,35 4.22,36 6.492,37 4.228,38 5.091,39 5.234,40 4.588,41 4.174,42 6.666,43 4.222,44 5.137,45 5.313,46 4.436,47 4.159,48 6.602,49 4.186,50 5.024,51 5.187,52 4.384,53 4.155,54 6.382,55 4.154,56 0.429,57 1.088,58 14.878,59 5.575,60 53.802,61 6.266,62 1.197,63 1.658,64 25.662,65 9.544,66 123.073,67 11.386,68 1.535,69 1.933,70 36.175,71 12.099,72 155.025,73 14.622,74 2.198,75 1.977,76 50.817,77 12.347,78 257.703,79 16.675,80 1.824,81 1.79,82 44.964,83 10.34,84 176.821,85 12.917,86 1.725,87 1.684,88 39.647,89 9.922,90 228.449,91 11.529,92 1.956,93 1.667,94 38.321,95 8.969,96 223.819,97 10.944,98 1.288,99 1.609,100 31.74,101 9.634,102 158.49,103 12.215,104 102,105 69,106 0.296,107 0.697,108 0.816,109 0.849,110 0.859,111 0.859,112 3.741,113 0.907,114 -3.58,115 -3.55,116 -3.39,119 33.8,120 3,123 1,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 7,159 10,160 2,162 1,163 5,165 3,166 7,168 5,169 6,170 1,171 4,172 1,173 3,175 2,177 9,178 11,180 3,181 6,182 1,183 3,187 5,188 6,189 1,190 5,192 1,197 4,198 12,200 2,201 9,202 1,211 7,212 5,215 5,216 2,217 1,219 1,221 1,223 1,224 5,227 4,228 1,229 4,231 1,233 3,234 7,235 7,237 1,238 7,240 2,246 3617,247 26.35,248 26.35,249 26.35,250 26.35,251 26.35,252 23.474,253 33.106,254 14.677,255 26.96,256 22.13,257 22.13,258 22.13,259 22.13,260 22.13,261 17.6,262 38.761,263 6.92,264 23.267,265 4.19,266 1.616,267 0.854,268 0.637,269 0.578,270 0.578,271 4.432,276 1362,277 4.95,280 339.199,281 280.391,282 185.098,284 2.522,285 81.338,286 0.25,287 0.5,288 0.5,289 0.5,291 0.33,292 0.5,293 0.37,294 94.5,295 632,296 4.705,297 4.473,298 7.121,299 4.324,300 3.344,301 4.625,302 1.579,303 11.727,304 3.296,305 4.68,306 3.589,307 6.935,308 4.249,309 3.307,310 4.489,311 1.041,312 11.65,313 3.209,314 4.48,315 3.555,316 6.764,317 4.215,318 3.234,319 3.98,320 0.98,321 11.104,322 3.056,323 4.278,324 3.55,325 6.555,326 3.978,327 3.042,328 3.899,330 10.24,331 2.861,332 4.172,333 3.193,334 6.341,335 3.873,336 2.883,337 3.422,339 9.481,340 2.827,341 3.985,342 2.842,343 6.117,344 3.634,345 2.701,346 3.229,347 8.946,348 2.519,349 3.646,350 2.677,351 5.875,352 3.297,353 2.367,354 2.911,355 7.89,356 2.193,357 3.357,358 2.559,359 5.246,360 2.928,361 1.943,362 2.592,363 5.917,364 1.908,365 3.232,366 2.244,367 4.868,368 2.822,369 1.883,370 2.501,371 5.315,372 1.75,373 3.043,374 1.969,375 4.795,376 2.763,377 1.82,378 2.121,379 5.163,380 1.71,381 2.861,382 1.835,383 4.788,384 2.477,385 1.587,386 2.015,387 4.749,388 1.405,389 2.748,390 1.543,391 4.219,392 2.392,393 1.414,394 1.793,395 3.447,396 1.377,397 2.616,398 1.469,399 4.139,400 2.136,401 1.215,402 1.649,403 3.07,404 1.117,405 2.55,406 1.311,407 3.894,408 2.051,409 1.046,410 1.511,411 2.967,412 1.045,413 2.371,414 1.274,415 3.653,416 1.925,417 1.007,418 1.33,419 2.615,420 0.919,421 18.6,422 0.454,423 1.596,424 0.039,425 52,426 1.268,427 23.5,428 0.573,429 28.5,430 0.695,431 40.718,432 0.993,433 46.8,434 0.688,435 50.707,436 1.237,437 9.979,438 0.243,439 9.269,440 0.226,441 0.21,442 0.072,443 0.366,447 0.84,448 1.51,449 0.755,450 1.348,451 0.885,452 0.958,453 0.72,454 1.014,455 0.706,456 0.922,457 0.613,458 0.845,459 0.955,460 1.363,461 0.996,462 1.28,463 0.897,464 1.197,465 0.967,466 0.918,467 0.886,468 0.842,469 0.902,470 0.856,471 1.151,472 0.904,473 1.091,474 0.892,475 1.075,476 0.822,477 1.111,478 1.236,479 1.225,480 1.284,481 1.134,482 0.999,483 1.337,484 0.8,485 1.202,486 0.787,487 1.324,488 0.925,489 1.065,490 1.275,491 1.036,492 1.2,493 1.065,494 1.17,495 11.5,496 0.464,497 6.667,498 4.014,499 3.192,500 2.007,501 1.295,502 0.951,503 0.784,504 0.552,505 28662,506 95687,507 2.006,508 39.7,509 9,510 9,511 2,512 1,513 6,518 1.805,519 1.809,520 3.864,521 3.098,524 128.994,525 1.897,526 4.471,527 5.234,528 5.451,529 5.51,530 5.51,531 3.397,532 5.144,533 5.327,534 4.096,535 3358.4,536 9.407,537 59629.2,539 413.947,540 1.769,541 5.241,542 0.256,543 0.01,544 0.097,545 0.058,546 0.048,547 0.032,548 0.019,549 0.016,550 0.014,551 0.01,552 0.561,553 0.17,554 0.63,555 0.758,556 234.238,557 -0.078,558 -0.188,559 0.15,560 -0.125,561 -0.205,562 0.02,563 0.195,564 0.145,565 0.117,566 0.094,567 0.153,568 0.103,569 0.019,570 -0.284,571 -0.083,572 -0.241,573 -0.029,574 -0.227,575 0.077,576 0.019,577 0.13,578 0.073,579 0.096,580 0.102,581 -0.089,582 0.116,583 0.03,584 0.112,585 -0.082,586 0.108,587 0.063,588 -0.148,589 -0.087,590 -0.175,591 0.118,592 -0.086,593 -0.145,594 0.221,595 -0.24,596 0.095,597 -0.117,598 -0.064,599 -0.086,600 -0.218,601 -0.116,602 -0.191,603 -0.054,604 -0.205,605 5.603,606 5.334,607 0.61,608 54.246,609 1.038,610 1.144,611 2.351,612 5.528,613 0.65,614 3.829,615 4.248,616 4.511,617 4.779,618 4.97,619 5.153,620 5.283,621 5.476,622 5.62,623 5.743,624 9.035,625 0.645,626 589.66,627 3.829,628 5.434,629 6.304,630 7.223,631 8.112,632 9.031,633 9.928,634 10.848,635 11.751,636 12.671,637 13.2,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 68,667 24,668 1,669 45,671 72,672 23,673 13,674 2,675 4,676 1,677 5,678 6,681 3,682 1,683 3,686 3,688 14,689 9,691 3,693 1,694 3,697 1,700 27,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 3,739 41,740 1,742 1,743 3,744 1,745 1,746 2,747 4,749 1,751 1,754 11.8,755 2,756 1,757 3,758 2,761 22.667,762 12.667,763 8.528,764 3.583,765 3.687,766 1.418,767 0.91,768 7.667,769 12.515,770 4.086,771 4.754,772 5.288,773 5.879,774 6.335,775 6.754,776 7.171,777 7.633,778 7.977,779 8.323,780 1,781 69,782 15.945,783 7.775,784 8.228,785 27.641,786 23.195,787 2.728,788 111.833,789 247.193,790 112.884,791 136.538,793 217.053,795 7.511,796 105.372,797 464.246,798 136.538,799 26.476,800 20.997,801 172.728,802 242.056,803 11.762,804 27.769,805 211.88,807 247.193,808 241.91,809 217.053,810 7.511,812 247.193,813 112.141,814 104.912,815 68.283,816 90.068,817 91.071,819 247.193,820 353.591,821 112.884,823 7.511,824 247.193,825 23.326,826 85.722,827 16.405,828 333.51,829 247.193,830 353.591,831 112.884,833 0.612,834 0.352,835 0.178,836 0.091,837 35,838 18,839 0.111,840 8,841 1,842 1.08,843 4.836,844 424.922,845 0.08,846 25,847 212.905,848 1,849 29.127,850 10.792,851 5.851,852 0.324,853 349.915,854 8.242,855 21.057,856 0.037,857 2.639,858 177.352,859 713.668,860 58.5,862 -4.686,863 36.908,866 -1.131,867 70.563,868 77.817,869 0.312,870 0.735,871 0.86,872 0.895,873 0.905,874 0.905,875 5.39,876 1.943,877 6.378,878 7.89,879 4.934,880 5.442,881 2.31,882 7.288,883 4.836,884 6.659,885 1.883,886 8.017,887 5.917,888 4.89,889 5.591,891 8.548,892 4.78,893 8.029,894 1.82,895 9.759,896 5.315,897 6.698,898 7.755,899 2.87,900 11.568,901 6.524,902 9.434,903 1.587,904 11.561,905 5.163,906 7.403,907 8.679,909 13.557,910 7.218,911 10.87,912 1.414,913 13.397,914 4.749,915 8.779,916 10.407,917 3.593,918 16.173,919 8.545,920 12.325,921 1.215,922 15.256,923 3.447,924 9.769,925 11.65,927 18.425,928 9.518,929 13.796,930 1.046,931 17.131,932 3.07,933 11.008,934 13.23,935 4.417,936 20.916,937 10.719,938 3.344,939 1.007,940 19.017,941 2.967,942 12.109,943 14.614,945 23.273,946 11.799,947 3.307,948 11.727,949 20.912,950 2.615,951 13.304,952 16.14,953 5.291,954 25.724,955 12.962,956 3.234,957 11.65,958 22.814,959 4.625,960 14.45,961 17.588,963 28.125,964 14.085,965 3.042,966 11.104,967 24.721,968 4.489,969 15.632,970 19.098,971 6.188,972 30.565,973 15.24,974 2.883,975 10.24,976 26.633,977 3.98,978 16.798,979 20.576,981 32.987,982 16.383,983 2.701,984 9.481,985 28.548,986 3.899,987 17.978,988 22.083,989 7.095,990 35.426,991 17.539,992 2.367,993 8.946,994 30.467,995 3.422,996 19.153,997 23.577,999 37.859,1000 18.692,1001 27264,1002 50176,1003 28.55,1004 44.188,1005 70.751,1006 72.82,1007 72.849,1008 69.832,1009 69.881,1010 89.616,1011 7.2,1012 219.519,1013 66.293,1014 5.683,1015 6.473,1016 6.806,1017 5.441,1018 5.344,1019 7.625,1020 3.158,1021 19.445,1022 5.296,1023 28.108,1024 1.572,1025 1.618,1026 1.619,1027 1.552,1028 1.553,1029 1.991,1030 0.16,1031 4.878,1032 1.473,1033 4.136,1034 4.188,1035 4.71,1036 3.941,1037 7.725,1038 3.971,1039 3.989,1040 3.977,1041 4.112,1042 3.879,1043 7.428,1044 3.864,1045 3.917,1046 3.975,1047 3.873,1048 3.766,1049 6.999,1050 3.76,1051 3.849,1052 3.845,1053 3.854,1054 3.739,1055 6.495,1056 3.687,1057 3.751,1058 3.743,1059 3.705,1060 3.58,1061 6.468,1062 3.571,1063 3.534,1064 3.613,1065 3.416,1066 3.303,1067 6.4,1068 3.328,1069 3.287,1070 3.37,1071 3.2,1072 3.043,1073 5.287,1074 3.07,1075 3.198,1076 3.223,1077 3.167,1078 2.976,1079 5.06,1080 2.997,1081 0.105,1082 0.099,1083 0.158,1084 0.096,1085 0.074,1086 4.705,1087 0.103,1088 4.473,1089 0.035,1090 7.121,1091 0.261,1092 4.324,1093 0.073,1094 3.344,1095 4.625,1096 1.579,1097 11.727,1098 3.296,1099 1.897,1100 1.883,1101 1.992,1102 2.039,1103 1.21,1104 2.006,1105 1.826,1106 1.779,1107 1.991,1108 2.005,1109 1.172,1110 1.992,1111 1.765,1112 1.716,1113 1.845,1114 1.915,1115 1.065,1116 1.936,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 1,1122 1.869,1123 1.557,1124 1.534,1125 1.652,1126 1.813,1127 0.78,1128 1.781,1129 1.441,1130 1.42,1131 1.423,1132 1.683,1133 0.572,1134 1.68,1135 1.282,1136 1.211,1137 1.417,1138 1.574,1139 0.493,1140 1.524,1141 1.112,1142 1.069,1143 1.417,1144 1.406,1145 0.469,1146 1.378,1147 4.511,1149 5.905,1150 3.434,1151 7.466,1152 5.82,1153 9.1,1154 7.941,1155 10.774,1157 5.894,1161 6.097,1162 31.069,1163 -0.762,1164 1.657,1165 10.538,1166 -5.763,1168 -0.287,1170 43.839,1171 128.994,1172 304.06,1173 355.908,1174 370.663,1175 374.663,1176 374.663,1177 123.491,1178 8.828,1179 242.72,1180 251.1,1181 27,1182 13.183,1183 4.644,1184 3.858,1185 66.528,1186 221,1187 221,1188 0.144,1189 269.403,1190 462.49,1191 649.103,1192 100671,1194 29.69,1195 0.724,1196 0.556,1197 29.94,1198 22.796,1199 19.248,1200 0.428,1201 0.302,1202 12.014,1203 17.331,1204 11.631,1205 9.604,1206 20.101,1207 13.601,1208 19.602,1209 0.284,1210 0.168,1211 20.911,1212 11.613,1213 15.626,1214 0.174,1215 0.079,1216 16.474,1217 7.15,1218 12.867,1219 0.109,1220 0.04,1221 13.718,1222 4.746,1223 9.548,1224 0.067,1225 0.022,1226 10.297,1227 3.092,1228 0.23,1229 132.963,1230 0.187,1231 36.785,1232 0.384,1233 228,1234 827.148,1235 301.018,1236 795.976,1237 1066.51,1238 732,1239 273,1240 759.85,1241 359.865,1242 793.468,1243 1170.21,1244 740,1245 9.018}
{0 CHEMBL611769,1 1.909,2 13.294,3 -0.562,4 0.316,5 116.185,6 8.831,7 0.432,8 4.185,9 4.269,10 3.993,11 3.589,12 5.394,13 3.633,14 4.735,15 4.867,16 4.313,17 3.974,18 6.162,19 4.016,20 4.955,21 5.089,22 4.413,23 4.106,24 6.325,25 4.125,26 5.084,27 5.262,28 4.43,29 4.105,30 6.557,31 4.116,32 5.007,33 5.177,34 4.396,35 4.077,36 6.356,37 4.064,38 4.993,39 5.163,40 4.315,41 3.969,42 6.525,43 3.98,44 4.844,45 5.003,46 4.122,47 3.824,48 6.348,49 3.839,50 4.75,51 4.919,52 4.042,53 3.802,54 6.093,55 3.798,56 0.38,57 0.872,58 12.349,59 4.657,60 50.269,61 5.018,62 1.147,63 1.309,64 21.586,65 7.503,66 111.775,67 8.497,68 1.419,69 1.504,70 29.822,71 10.159,72 150.607,73 11.478,74 1.9,75 1.553,76 38.168,77 10.212,78 234.301,79 12.282,80 1.57,81 1.482,82 36.515,83 10.178,84 164.278,85 11.697,86 1.761,87 1.347,88 40.229,89 9.501,90 227.495,91 11.017,92 1.602,93 1.13,94 30.113,95 8.176,96 194.684,97 9.203,98 1.206,99 1.092,100 27.425,101 7.781,102 138.891,103 9.202,104 66,105 55,106 0.311,107 0.695,108 0.83,109 0.873,110 0.885,111 0.885,112 3.56,113 0.921,114 -2.63,115 -2.65,116 -2.58,119 33.9,124 2,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 4,159 8,160 1,163 4,165 3,166 4,168 4,169 1,171 3,172 1,173 3,175 2,177 8,178 5,181 3,182 1,183 3,187 3,188 4,190 4,192 1,197 2,198 6,201 7,202 1,211 5,212 4,215 5,216 1,224 1,227 3,229 1,234 7,235 3,238 4,240 2,246 2074,247 22.121,248 22.121,249 22.121,250 22.121,251 22.121,252 19.786,253 24.072,254 12.528,255 22.729,256 18.168,257 18.168,258 18.168,259 18.168,260 18.168,261 14.512,262 30.746,263 5.842,264 19.255,265 3.899,266 1.55,267 0.719,268 0.456,269 0.384,270 0.384,271 4.245,275 1,276 968,277 4.472,280 179.063,281 230.981,282 151.348,284 2.059,285 70.147,286 0.75,287 0.67,288 0.83,289 0.7,291 0.67,292 0.5,293 0.59,294 79,295 452,296 4.705,297 4.473,298 6.95,299 4.25,300 3.315,301 4.596,302 1.579,303 11.718,304 3.209,305 4.663,306 3.588,307 6.765,308 4.216,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.278,315 3.552,316 6.61,317 3.984,318 3.047,319 3.899,320 0.98,321 10.41,322 2.862,323 4.168,324 3.227,325 6.341,326 3.873,327 2.883,328 3.39,329 0.8,330 9.481,331 2.832,332 3.787,333 2.804,334 6.088,335 3.482,336 2.566,337 2.985,339 8.575,340 2.345,341 3.357,342 2.676,343 5.473,344 2.978,345 2.046,346 2.592,347 6.527,348 1.917,349 3.157,350 2.324,351 4.947,352 2.915,353 1.921,354 2.33,355 5.187,356 1.874,357 3.044,358 2.183,359 4.859,360 2.611,361 1.71,362 2.218,363 5.035,364 1.531,365 2.861,366 1.588,367 4.474,368 2.45,369 1.545,370 2.015,371 3.88,372 1.397,373 2.795,374 1.543,375 4.076,376 2.392,377 1.414,378 1.813,379 3.379,380 1.377,381 2.559,382 1.542,383 3.894,384 2.194,385 1.297,386 1.577,387 3.07,388 1.159,389 2.55,390 1.469,391 3.737,392 2.051,393 1.047,394 1.512,395 2.674,396 1.045,397 2.368,398 1.311,399 3.605,400 1.941,401 1.033,402 1.345,403 2.615,404 0.934,405 1.944,406 1.153,407 3.439,408 1.577,409 0.706,410 0.787,411 1.695,412 0.608,413 1.771,414 0.851,415 3.235,416 1.472,417 0.582,418 0.716,419 1.441,420 0.517,421 15.4,422 0.453,423 1.171,424 0.034,425 43.75,426 1.287,427 19.5,428 0.574,429 24.25,430 0.713,431 29.459,432 0.866,433 39.2,434 0.7,435 40.524,436 1.192,437 8.811,438 0.259,439 7.276,440 0.214,441 0.195,442 0.054,443 0.377,447 0.863,448 1.726,449 0.754,450 1.445,451 0.858,452 0.994,453 0.836,454 0.887,455 0.796,456 0.819,457 0.654,458 0.798,459 0.985,460 1.304,461 0.969,462 1.213,463 0.931,464 1.116,465 1.042,466 0.898,467 0.959,468 0.866,469 0.97,470 0.9,471 1.054,472 1.092,473 1.128,474 1.128,475 1.066,476 1.045,477 1.106,478 0.99,479 1.319,480 1.201,481 1.069,482 1.022,483 1.258,484 0.837,485 1.157,486 0.934,487 1.374,488 1.012,489 1.239,490 1.039,491 1.062,492 1.053,493 1.13,494 1.034,495 8,496 0.279,497 5.333,498 3.799,499 2.251,500 1.691,501 0.961,502 0.609,503 0.525,504 0.333,505 16807,506 59479,507 2.001,508 39.3,510 15,511 1,512 2,513 4,518 1.759,519 1.813,520 3.664,521 1.721,524 106.884,525 1.909,526 4.257,527 5.088,528 5.352,529 5.423,530 5.423,531 3.114,532 4.653,533 5.061,534 3.873,535 2172.96,536 8.865,537 33455,539 325.212,540 1.701,541 4.979,542 0.216,543 0.009,544 0.097,545 0.067,546 0.041,547 0.034,548 0.02,549 0.015,550 0.014,551 0.009,552 0.522,553 0.17,554 0.75,555 0.79,556 183.057,557 -0.109,558 -0.418,559 0.168,560 -0.208,561 -0.195,562 -0.015,563 0.104,564 0.268,565 0.03,566 0.144,567 0.114,568 0.106,569 0.012,570 -0.248,571 -0.044,572 -0.174,573 -0.034,574 -0.151,575 0.023,576 0.078,577 0.032,578 0.07,579 0.073,580 0.039,581 -0.046,582 -0.064,583 -0.026,584 -0.058,585 -0.089,586 -0.075,587 0.017,588 0.004,589 -0.129,590 -0.123,591 0.104,592 -0.071,593 -0.049,594 0.105,595 -0.15,596 0.01,597 -0.066,598 -0.094,599 -0.174,600 -0.087,601 -0.059,602 -0.048,603 -0.089,604 -0.051,605 5.541,606 5.185,607 0.588,608 36.647,609 1.042,610 1.141,611 1.401,612 1.962,613 0.65,614 3.638,615 4.025,616 4.304,617 4.575,618 4.736,619 4.844,620 4.977,621 5.1,622 5.147,623 5.198,624 7.842,625 0.647,626 494.54,627 3.638,628 5.22,629 6.089,630 6.999,631 7.885,632 8.797,633 9.691,634 10.605,635 11.505,636 12.42,637 10.7,642 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,662 1,663 1,666 56,667 19,668 1,669 37,671 59,672 19,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 7,691 3,693 1,694 3,697 1,700 22,701 13,702 4,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,735 2,739 34,742 1,743 3,744 1,745 1,746 2,747 4,748 1,754 14.3,755 2,756 1,757 3,758 2,761 18.75,762 10.183,763 7.278,764 2.84,765 2.901,766 1.363,767 0.899,768 6.84,769 10.901,770 3.892,771 4.53,772 5.047,773 5.625,774 6.057,775 6.335,776 6.689,777 6.988,778 7.033,779 7.198,780 0.889,781 57,782 13.286,783 6.473,784 8.301,785 22.836,786 18.903,787 2.801,788 95.25,789 211.88,790 98.116,791 71.785,793 217.053,795 7.511,796 90.605,797 428.933,798 71.785,799 16.793,800 20.997,801 130.783,802 220.624,803 18.972,804 14.099,805 176.567,807 211.88,808 162.39,809 217.053,810 7.511,812 211.88,813 112.141,814 104.912,815 43.993,816 68.04,817 57.868,819 211.88,820 288.838,821 98.116,823 7.511,824 211.88,825 18.67,826 76.958,827 16.405,828 267.41,829 211.88,830 288.838,831 98.116,833 0.601,834 0.355,835 0.187,836 0.094,837 27,838 14,839 0.119,840 7,841 1,842 1.1,843 4.314,844 321.912,845 0.1,846 20,847 168.974,848 1,849 24.437,850 9.517,851 4.92,852 0.769,853 286.939,854 8.033,855 12.565,856 -0.152,857 1.395,858 144.455,859 598.834,860 48,862 -4.624,863 36.493,866 -1.106,867 58.374,868 63.907,869 0.329,870 0.733,871 0.876,872 0.922,873 0.934,874 0.934,875 5.176,876 1.71,877 6.138,878 5.187,879 4.71,880 5.218,881 2.401,882 7.031,883 4.597,884 6.423,885 1.545,886 7.762,887 5.035,888 4.575,889 5.345,890 0.325,891 8.222,892 4.441,893 7.781,894 1.414,895 9.49,896 3.88,897 6.428,898 7.523,899 2.895,900 11.276,901 6.226,902 9.178,903 1.297,904 11.277,905 3.379,906 7.074,907 8.459,908 0.268,909 13.225,910 6.848,911 10.609,912 1.047,913 13.099,914 3.07,915 8.469,916 10.199,917 3.6,918 15.851,919 8.188,920 12.064,921 1.033,922 14.943,923 2.674,924 9.426,925 11.461,926 0.188,927 18.076,928 9.113,929 13.535,930 0.706,931 16.804,932 2.615,933 10.667,934 13.053,935 4.419,936 20.567,937 10.307,938 3.315,939 0.582,940 18.675,941 1.695,942 11.747,943 14.452,944 0.125,945 22.903,946 11.351,947 3.235,948 11.718,949 20.555,950 1.441,951 12.936,952 15.989,953 5.292,954 25.349,955 12.498,956 3.047,957 11.105,958 22.44,959 4.596,960 14.067,961 17.448,962 0.082,963 27.734,964 13.59,965 2.883,966 10.41,967 24.331,968 4.489,969 15.24,970 18.966,971 6.189,972 30.166,973 14.723,974 2.566,975 9.481,976 26.226,977 3.899,978 16.394,979 20.452,980 0.054,981 32.575,982 15.837,983 2.046,984 8.575,985 28.124,986 3.39,987 17.564,988 21.963,989 7.095,990 35.005,991 16.968,992 1.921,993 6.527,994 30.025,995 2.985,996 18.728,997 23.462,998 0.035,999 37.427,1000 18.093,1001 16169,1002 30644,1003 23.581,1004 36.409,1005 57.094,1006 59.312,1007 59.798,1008 56.634,1009 56.696,1010 72.527,1011 8.8,1012 173.585,1013 53.334,1014 5.683,1015 6.473,1016 6.635,1017 5.366,1018 5.315,1019 7.596,1020 3.158,1021 19.473,1022 5.209,1023 21.941,1024 1.543,1025 1.603,1026 1.616,1027 1.531,1028 1.532,1029 1.96,1030 0.238,1031 4.691,1032 1.441,1033 4.115,1034 4.164,1035 4.709,1036 3.929,1037 7.725,1038 3.955,1039 3.987,1040 3.976,1041 4.087,1042 3.876,1043 7.428,1044 3.864,1045 3.856,1046 3.852,1047 3.856,1048 3.764,1049 6.999,1050 3.69,1051 3.76,1052 3.75,1053 3.718,1054 3.584,1055 6.495,1056 3.575,1057 3.505,1058 3.593,1059 3.385,1060 3.25,1061 6.468,1062 3.267,1063 3.25,1064 3.326,1065 3.173,1066 3.015,1067 6.4,1068 3.036,1069 3.194,1070 3.224,1071 3.123,1072 2.969,1073 5.151,1074 2.987,1075 3.077,1076 3.097,1077 2.968,1078 2.852,1079 4.623,1080 2.857,1081 0.127,1082 0.121,1083 0.188,1084 0.115,1085 0.09,1086 4.705,1087 0.124,1088 4.473,1089 0.043,1090 6.95,1091 0.317,1092 4.25,1093 0.087,1094 3.315,1095 4.596,1096 1.579,1097 11.718,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.024,1103 1.172,1104 2.006,1105 1.816,1106 1.768,1107 1.889,1108 2.005,1109 1.065,1110 1.986,1111 1.647,1112 1.676,1113 1.791,1114 1.859,1115 1.017,1116 1.869,1117 1.572,1118 1.542,1119 1.713,1120 1.832,1121 0.9,1122 1.808,1123 1.453,1124 1.431,1125 1.583,1126 1.691,1127 0.664,1128 1.695,1129 1.341,1130 1.253,1131 1.417,1132 1.614,1133 0.562,1134 1.613,1135 1.121,1136 1.073,1137 1.361,1138 1.417,1139 0.469,1140 1.39,1141 1.016,1142 1.011,1143 1.316,1144 1.26,1145 0.399,1146 1.308,1147 4.317,1149 5.687,1150 3.045,1151 7.236,1152 5.476,1153 8.866,1154 7.627,1155 10.539,1157 3.55,1162 30.592,1163 -0.706,1164 1.658,1165 10.423,1166 -5.37,1167 1.729,1170 36.248,1171 106.884,1172 238.418,1173 284.947,1174 299.702,1175 303.702,1176 303.702,1177 100.452,1178 8.001,1179 189.23,1180 197.61,1181 22,1182 12.935,1183 4.322,1184 3.585,1185 57.088,1186 161,1187 150,1188 0.172,1189 223.899,1190 388.83,1191 538.073,1192 35938,1194 24.621,1195 0.724,1196 0.554,1197 24.871,1198 18.824,1199 16.087,1200 0.435,1201 0.307,1202 9.788,1203 14.299,1204 9.505,1205 7.818,1206 16.941,1207 11.356,1208 15.595,1209 0.284,1210 0.164,1211 16.905,1212 8.997,1213 12.763,1214 0.175,1215 0.082,1216 13.611,1217 6.01,1218 10.688,1219 0.111,1220 0.044,1221 11.539,1222 4.179,1223 7.884,1224 0.07,1225 0.024,1226 8.633,1227 2.706,1228 0.274,1229 113.062,1230 0.206,1231 31.545,1232 0.461,1233 184,1234 710.546,1235 251.051,1236 678.194,1237 896.91,1238 624,1239 220,1240 612.25,1241 300.094,1242 647.867,1243 956.49,1244 603,1245 6.42}
{0 CHEMBL611771,1 1.894,2 15.231,3 0.6,4 0.36,5 134.857,6 8.994,7 0.512,8 4.292,9 4.378,10 4.1,11 3.741,12 5.525,13 3.781,14 4.812,15 4.92,16 4.432,17 4.126,18 6.264,19 4.157,20 5.073,21 5.224,22 4.508,23 4.223,24 6.428,25 4.239,26 5.131,27 5.301,28 4.517,29 4.183,30 6.622,31 4.199,32 5.076,33 5.253,34 4.51,35 4.16,36 6.43,37 4.169,38 5.054,39 5.201,40 4.513,41 4.146,42 6.617,43 4.178,44 5.047,45 5.205,46 4.376,47 4.113,48 6.541,49 4.131,50 4.98,51 5.155,52 4.28,53 4.097,54 6.328,55 4.082,56 0.403,57 0.991,58 12.699,59 5.205,60 56.822,61 5.126,62 1.09,63 1.508,64 19.716,65 8.823,66 110.88,67 9.297,68 1.52,69 1.759,70 33.189,71 11.21,72 164.071,73 12.335,74 1.873,75 1.76,76 37.345,77 11.172,78 233.833,79 12.497,80 1.649,81 1.705,82 38.539,83 10.517,84 176.613,85 11.389,86 1.712,87 1.645,88 38.553,89 10.62,90 236.82,91 11.2,92 1.781,93 1.597,94 33.298,95 9.761,96 216.67,97 10.362,98 1.28,99 1.552,100 30.694,101 9.842,102 168.206,103 11.451,104 50,105 63,106 0.3,107 0.678,108 0.797,109 0.876,110 0.906,111 0.906,112 3.693,113 0.898,114 -3.27,115 -3.26,116 -3.13,119 37.1,125 1,127 3,128 1,134 9,135 1,136 2,138 1,139 1,142 1,147 1,149 1,150 1,152 1,153 1,154 1,157 8,159 7,160 1,162 1,163 7,165 5,166 8,168 3,169 1,170 1,171 4,172 1,173 5,175 4,177 6,178 9,180 2,181 6,182 2,183 4,184 1,187 3,188 8,190 5,192 1,197 1,198 10,200 1,201 9,202 1,203 2,208 2,211 5,212 8,215 4,216 3,217 2,219 1,221 2,224 6,227 2,228 2,229 2,231 1,233 1,234 6,235 6,237 1,238 6,240 4,246 3153,247 25.792,248 25.792,249 25.792,250 25.792,251 25.792,252 22.657,253 30.205,254 14.852,255 26.369,256 21.184,257 21.184,258 21.184,259 21.184,260 21.184,261 16.419,262 43.461,263 7.052,264 22.268,265 4.06,266 1.67,267 0.918,268 0.413,269 0.226,270 0.226,271 4.39,276 1291,277 4.359,280 209.294,281 400.379,282 174.592,284 2.454,285 77.068,286 0.25,287 0.5,288 0.5,289 0.1,291 0.33,292 0.5,293 0.31,294 89.5,295 594,296 4.705,297 4.473,298 6.932,299 4.248,300 3.313,301 4.612,302 1.579,303 11.65,304 3.209,305 4.665,306 3.587,307 6.764,308 4.213,309 3.234,310 4.489,311 1.041,312 11.104,313 3.052,314 4.278,315 3.552,316 6.542,317 3.965,318 3.028,319 3.899,320 0.98,321 10.184,322 2.859,323 4.16,324 3.173,325 6.341,326 3.872,327 2.882,328 3.504,329 0.4,330 9.48,331 2.818,332 3.949,333 2.78,334 5.908,335 3.56,336 2.611,337 3.342,339 8.07,340 2.488,341 3.691,342 2.677,343 5.551,344 3.325,345 2.393,346 2.99,347 7.525,348 2.217,349 3.492,350 2.58,351 5.246,352 3.021,353 2.085,354 2.854,355 6.041,356 1.944,357 3.357,358 2.247,359 5.031,360 2.928,361 1.941,362 2.592,363 5.904,364 1.908,365 3.043,366 2.155,367 4.868,368 2.819,369 1.881,370 2.123,371 5.163,372 1.746,373 2.877,374 1.968,375 4.794,376 2.478,377 1.587,378 2.038,379 4.749,380 1.407,381 2.861,382 1.543,383 4.146,384 2.407,385 1.428,386 2.015,387 3.109,388 1.395,389 2.743,390 1.472,391 3.894,392 2.392,393 1.414,394 1.78,395 3.07,396 1.377,397 2.55,398 1.469,399 3.782,400 2.051,401 1.117,402 1.532,403 2.983,404 1.046,405 2.523,406 1.311,407 3.605,408 2.023,409 1.046,410 1.51,411 2.616,412 1.009,413 2.5,414 1.251,415 3.56,416 2,417 1,418 1.5,419 2.472,420 1,421 17.8,422 0.456,423 1.218,424 0.031,425 53.25,426 1.365,427 26,428 0.667,429 27.25,430 0.699,431 32.794,432 0.841,433 43.4,434 0.7,435 49.907,436 1.28,437 10.649,438 0.273,439 7.976,440 0.205,441 0.135,442 0.047,443 0.36,447 0.891,448 1.45,449 0.757,450 1.251,451 0.899,452 0.866,453 0.749,454 1.034,455 0.808,456 1.004,457 0.649,458 0.975,459 1.015,460 1.21,461 0.984,462 1.11,463 0.929,464 1.042,465 1.057,466 0.99,467 0.991,468 0.948,469 1.001,470 0.969,471 1.136,472 0.974,473 1.106,474 0.956,475 1.113,476 0.863,477 1.09,478 1.101,479 1.253,480 1.199,481 1.098,482 0.97,483 1.266,484 0.904,485 1.173,486 0.884,487 1.283,488 0.997,489 1.077,490 1.109,491 1.074,492 1.102,493 1.07,494 1.133,495 9,496 0.41,497 5.111,498 3.924,499 2.518,500 1.667,501 1.229,502 0.826,503 0.544,504 0.434,505 25783,506 88178,507 2.058,508 37.1,510 14,511 1,512 1,513 7,518 1.793,519 1.895,520 3.846,521 3.937,524 117.425,525 1.894,526 4.284,527 5.037,528 5.541,529 5.728,530 5.728,531 3.369,532 5.08,533 5.255,534 4.056,535 3005.38,536 9.263,537 51629.8,539 369.16,540 1.623,541 5.196,542 0.209,543 0.009,544 0.081,545 0.061,546 0.041,547 0.028,548 0.02,549 0.015,550 0.011,551 0.009,552 0.486,553 0.17,554 0.5,555 0.58,556 219.741,557 -0.134,558 -0.201,559 0.137,560 -0.089,561 -0.225,562 0.057,563 0.176,564 0.107,565 -0.025,566 -0.026,567 0.116,568 -0.085,569 -0.006,570 -0.19,571 -0.03,572 -0.116,573 -0.038,574 -0.091,575 0.05,576 -0.008,577 0.015,578 -0.003,579 0.082,580 -0.036,581 -0.073,582 0.053,583 0.03,584 0.075,585 -0.1,586 0.082,587 0.053,588 -0.065,589 -0.095,590 -0.109,591 0.105,592 -0.037,593 -0.095,594 0.093,595 -0.213,596 0.034,597 -0.079,598 -0.103,599 -0.123,600 -0.112,601 -0.119,602 -0.132,603 -0.085,604 -0.158,605 5.586,606 5.292,607 0.667,608 50.58,609 1.04,610 1.136,611 2.045,612 4.18,613 0.668,614 3.784,615 4.159,616 4.431,617 4.71,618 4.898,619 5.024,620 5.17,621 5.352,622 5.447,623 5.541,624 8.783,625 0.666,626 557.6,627 3.784,628 5.361,629 6.225,630 7.127,631 8.007,632 8.914,633 9.803,634 10.713,635 11.608,636 12.522,637 11.3,640 1,643 1,644 2,646 3,650 2,651 10,652 3,653 5,654 1,655 22,659 1,660 1,663 1,666 62,667 25,668 2,669 43,671 66,672 23,673 17,674 3,675 9,676 1,677 5,678 6,683 3,686 3,688 18,689 5,691 3,693 1,694 3,697 1,700 23,701 14,702 7,703 16,704 1,706 1,707 7,711 0.8,712 8,714 2,715 1,717 1,721 2,722 3,730 2,731 1,732 4,733 1,739 39,740 1,742 1,743 3,744 1,745 2,746 2,747 4,754 12.9,755 2,756 1,757 3,758 2,761 20.583,762 10.4,763 8.333,764 3.176,765 3.777,766 1.438,767 0.937,768 7.59,769 12.397,770 4.06,771 4.703,772 5.22,773 5.803,774 6.274,775 6.559,776 6.949,777 7.379,778 7.618,779 7.932,780 1,781 64,782 15.175,783 7.404,784 8.246,785 26.225,786 21.896,787 2.746,788 107.083,789 188.338,790 124.742,791 119.569,793 217.053,795 7.511,796 117.231,797 405.391,798 119.569,800 20.997,801 211.061,802 208.853,803 27.996,804 15.998,805 164.795,807 188.338,808 236.799,809 217.053,810 7.511,812 188.338,813 112.141,814 104.912,815 55.284,816 131.158,817 57.868,819 188.338,820 336.622,821 124.742,823 7.511,824 188.338,825 23.326,826 95.804,827 34.416,828 300.307,829 188.338,830 336.622,831 124.742,833 0.596,834 0.347,835 0.185,836 0.095,837 31,838 15,839 0.121,840 8,841 1,842 1.077,843 4.808,844 391.482,845 0.077,846 26,847 200.131,848 1,849 27.075,850 10.932,851 5.763,852 0.398,853 334.723,854 15.688,855 12.754,856 0.183,857 1.325,858 195.363,859 649.701,860 57,862 -4.669,863 36.791,866 -1.124,867 64.476,868 70.405,869 0.318,870 0.72,871 0.846,872 0.931,873 0.962,874 0.962,875 5.33,876 1.941,877 6.256,878 6.041,879 4.844,880 5.391,881 2.341,882 7.124,883 4.743,884 6.571,885 1.881,886 7.858,887 5.904,888 4.635,889 5.44,891 8.244,892 4.503,893 7.918,894 1.587,895 9.564,896 5.163,897 6.532,898 7.678,899 2.873,900 11.302,901 6.342,902 9.303,903 1.428,904 11.33,905 4.749,906 7.116,907 8.536,909 13.205,910 6.892,911 10.721,912 1.414,913 13.134,914 3.109,915 8.534,916 10.312,917 3.593,918 15.83,919 8.261,920 12.162,921 1.117,922 14.962,923 3.07,924 9.45,925 11.521,927 18.032,928 9.141,929 13.621,930 1.046,931 16.808,932 2.983,933 10.7,934 13.13,935 4.417,936 20.519,937 10.347,938 3.313,939 1,940 18.667,941 2.616,942 11.758,943 14.499,945 22.845,946 11.366,947 3.234,948 11.65,949 20.536,950 2.472,951 12.949,952 16.044,953 5.291,954 25.286,955 12.516,956 3.028,957 11.104,958 22.413,959 4.612,960 14.068,961 17.487,963 27.665,964 13.595,965 2.882,966 10.184,967 24.296,968 4.489,969 15.24,970 19.009,971 6.188,972 30.093,973 14.727,974 2.611,975 9.48,976 26.184,977 3.899,978 16.387,979 20.488,981 32.497,982 15.835,983 2.393,984 8.07,985 28.076,986 3.504,987 17.556,988 22.002,989 7.095,990 34.923,991 16.964,992 2.085,993 7.525,994 29.972,995 3.342,996 18.716,997 23.499,999 37.341,1000 18.085,1001 24252,1002 45115,1003 28.145,1004 41.415,1005 65.607,1006 68.106,1007 67.734,1008 65.145,1009 65.205,1010 85.348,1011 8,1012 196.16,1013 61.826,1014 5.683,1015 6.473,1016 6.734,1017 5.365,1018 5.313,1019 7.612,1020 3.158,1021 19.365,1022 5.209,1023 22.354,1024 1.526,1025 1.584,1026 1.575,1027 1.515,1028 1.516,1029 1.985,1030 0.186,1031 4.562,1032 1.438,1033 4.121,1034 4.169,1035 4.71,1036 3.938,1037 7.725,1038 3.963,1039 3.987,1040 3.976,1041 4.094,1042 3.878,1043 7.428,1044 3.863,1045 3.889,1046 3.922,1047 3.857,1048 3.805,1049 6.999,1050 3.804,1051 3.85,1052 3.846,1053 3.816,1054 3.763,1055 6.495,1056 3.689,1057 3.752,1058 3.742,1059 3.71,1060 3.579,1061 6.468,1062 3.571,1063 3.366,1064 3.443,1065 3.307,1066 3.115,1067 6.4,1068 3.153,1069 3.211,1070 3.243,1071 3.172,1072 2.991,1073 5.266,1074 3.016,1075 3.119,1076 3.198,1077 3.031,1078 2.905,1079 4.861,1080 2.912,1081 0.109,1082 0.104,1083 0.161,1084 0.099,1085 0.077,1086 4.705,1087 0.107,1088 4.473,1089 0.037,1090 6.932,1091 0.271,1092 4.248,1093 0.075,1094 3.313,1095 4.612,1096 1.579,1097 11.65,1098 3.209,1099 1.899,1100 1.883,1101 2.014,1102 2.048,1103 1.172,1104 2.025,1105 1.897,1106 1.864,1107 1.991,1108 2.005,1109 1.066,1110 2.006,1111 1.779,1112 1.738,1113 1.833,1114 1.938,1115 1.064,1116 1.926,1117 1.645,1118 1.676,1119 1.773,1120 1.858,1121 0.995,1122 1.868,1123 1.554,1124 1.531,1125 1.648,1126 1.802,1127 0.759,1128 1.773,1129 1.441,1130 1.418,1131 1.367,1132 1.683,1133 0.569,1134 1.679,1135 1.14,1136 1.086,1137 1.321,1138 1.435,1139 0.406,1140 1.407,1141 1.046,1142 1.027,1143 1.237,1144 1.317,1145 0.273,1146 1.297,1147 4.466,1149 5.826,1150 3.045,1151 7.366,1152 5.476,1153 8.986,1154 7.627,1155 10.648,1161 6.042,1162 30.934,1163 -0.747,1164 4.665,1165 10.504,1166 -5.662,1170 41.27,1171 117.425,1172 265.637,1173 312.266,1174 343.551,1175 355.16,1176 355.16,1177 107.394,1178 8.62,1179 224.04,1180 232.42,1181 28,1182 13.039,1183 4.7,1184 3.907,1185 61.606,1186 205,1187 202,1188 0.144,1189 252.887,1190 437.85,1191 608.804,1192 80192,1194 27.733,1195 0.711,1196 0.532,1197 27.983,1198 20.764,1199 18.626,1200 0.433,1201 0.299,1202 11.313,1203 16.862,1204 11.11,1205 9.095,1206 19.479,1207 12.868,1208 17.811,1209 0.283,1210 0.156,1211 19.12,1212 9.829,1213 14.714,1214 0.177,1215 0.081,1216 15.562,1217 6.725,1218 12.422,1219 0.113,1220 0.042,1221 13.272,1222 4.657,1223 9.32,1224 0.07,1225 0.023,1226 10.069,1227 3.052,1228 0.23,1229 128.156,1230 0.188,1231 35.444,1232 0.383,1233 212,1234 776.546,1235 281.16,1236 748.666,1237 1000.25,1238 690,1239 252,1240 697.94,1241 333.093,1242 732.541,1243 1082.51,1244 687,1245 9.027}
{0 CHEMBL611772,1 1.855,2 17.814,3 1.584,4 2.508,5 152.218,6 8.348,7 0.447,8 4.447,9 4.55,10 4.188,11 3.866,12 5.619,13 3.891,14 5,15 5.145,16 4.514,17 4.26,18 6.339,19 4.269,20 5.258,21 5.447,22 4.584,23 4.357,24 6.514,25 4.346,26 5.312,27 5.512,28 4.614,29 4.34,30 6.705,31 4.334,32 5.253,33 5.453,34 4.61,35 4.32,36 6.52,37 4.306,38 5.241,39 5.421,40 4.619,41 4.285,42 6.716,43 4.304,44 5.213,45 5.398,46 4.483,47 4.233,48 6.626,49 4.244,50 5.109,51 5.293,52 4.408,53 4.195,54 6.432,55 4.193,56 0.405,57 1.166,58 17.074,59 6.2,60 53.865,61 7.383,62 1.178,63 1.762,64 29.232,65 10.659,66 119.581,67 13.352,68 1.616,69 1.989,70 45.515,71 13.221,72 170.761,73 17.457,74 2.014,75 2.002,76 49.155,77 12.69,78 240.9,79 16.931,80 1.72,81 1.943,82 48.693,83 12.264,84 172.454,85 16.049,86 1.889,87 1.9,88 49.067,89 11.332,90 242.322,91 14.721,92 1.923,93 1.804,94 43.134,95 10.289,96 217.656,97 13.668,98 1.375,99 1.726,100 37.237,101 9.321,102 161.037,103 12.824,104 70,105 68,106 0.285,107 0.673,108 0.834,109 0.893,110 0.91,111 0.91,112 3.787,113 0.952,114 -4,115 -3.95,116 -3.74,119 33.8,120 1,121 5,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 9,159 10,160 2,162 1,163 5,165 3,166 8,168 5,169 4,170 1,171 4,172 1,173 3,175 5,177 9,178 8,180 3,181 6,182 1,183 3,185 2,187 5,188 9,189 1,190 5,192 1,194 1,197 4,198 11,200 2,201 9,202 1,211 7,212 10,215 5,216 2,217 1,219 1,221 1,223 1,224 7,227 4,228 1,229 2,231 1,233 1,234 7,235 8,237 1,238 7,240 3,244 1,246 4403,247 28.576,248 28.576,249 28.576,250 28.576,251 28.576,252 25.662,253 30.68,254 16.669,255 29.192,256 23.121,257 23.121,258 23.121,259 23.121,260 23.121,261 18.546,262 34.349,263 7.874,264 24.266,265 4.354,266 1.828,267 0.777,268 0.389,269 0.28,270 0.28,271 4.483,276 1638,277 4.848,280 363.182,281 298.231,282 198.433,284 3.019,285 82.291,286 0.25,287 0.33,288 0.33,289 0.7,290 0.5,291 0.17,293 0.33,294 98.5,295 766,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.991,318 3.057,319 3.899,320 0.98,321 10.249,322 2.863,323 4.256,324 3.212,325 6.341,326 3.874,327 2.884,328 3.87,330 9.481,331 2.835,332 4.114,333 2.96,334 6.157,335 3.765,336 2.82,337 3.337,339 9.116,340 2.665,341 3.7,342 2.677,343 5.881,344 3.343,345 2.412,346 3.005,347 7.921,348 2.238,349 3.56,350 2.622,351 5.303,352 3.193,353 2.247,354 2.879,355 6.78,356 2.12,357 3.357,358 2.455,359 5.245,360 2.928,361 1.942,362 2.592,363 5.916,364 1.908,365 3.043,366 2.243,367 4.868,368 2.82,369 1.881,370 2.129,371 5.163,372 1.748,373 2.9,374 1.969,375 4.794,376 2.731,377 1.74,378 2.021,379 4.75,380 1.722,381 2.861,382 1.741,383 4.362,384 2.478,385 1.587,386 2.015,387 4.1,388 1.406,389 2.744,390 1.543,391 4.143,392 2.392,393 1.418,394 1.773,395 3.3,396 1.377,397 2.691,398 1.473,399 3.894,400 2.367,401 1.414,402 1.706,403 3.07,404 1.343,405 2.55,406 1.469,407 3.734,408 2.051,409 1.1,410 1.512,411 2.982,412 1.046,413 2.459,414 1.311,415 3.637,416 2.037,417 1.046,418 1.446,419 2.615,420 1.028,421 19.6,422 0.456,423 1.269,424 0.03,425 53,426 1.233,427 23.5,428 0.547,429 29.5,430 0.686,431 42.93,432 0.998,433 49.4,434 0.668,435 50.922,436 1.184,437 10.023,438 0.233,439 10.552,440 0.245,441 0.148,442 0.043,443 0.347,447 0.823,448 1.511,449 0.771,450 1.355,451 0.853,452 0.991,453 0.703,454 1.12,455 0.786,456 1.06,457 0.601,458 1.005,459 0.909,460 1.161,461 0.879,462 1.077,463 0.847,464 0.981,465 1.001,466 0.95,467 0.919,468 0.908,469 0.949,470 0.908,471 1.029,472 1.038,473 1.001,474 1,475 1.023,476 0.887,477 1.073,478 1.089,479 1.17,480 1.134,481 1.061,482 0.929,483 1.239,484 0.955,485 1.109,486 0.878,487 1.243,488 0.955,489 1.182,490 1.158,491 1.092,492 1.055,493 1.118,494 1.066,495 9.5,496 0.462,497 5.778,498 3.833,499 2.862,500 1.865,501 1.269,502 0.859,503 0.701,504 0.488,505 33784,506 105521,507 2.039,508 41.9,509 11,510 9,511 2,512 1,513 6,514 2,518 1.816,519 1.876,520 4.043,521 3.032,524 137.294,525 1.855,526 4.382,527 5.432,528 5.821,529 5.929,530 5.929,531 3.598,532 5.287,533 5.389,534 4.245,535 3833.45,536 9.536,537 72043.7,539 459.5,540 1.618,541 5.336,542 0.202,543 0.009,544 0.085,545 0.056,546 0.042,547 0.028,548 0.018,549 0.014,550 0.013,551 0.009,552 0.476,553 0.17,554 0.5,555 1.209,556 250.976,557 -0.056,558 -0.175,559 0.152,560 -0.117,561 -0.167,562 0.017,563 0.211,564 0.043,565 0.055,566 -0.031,567 0.157,568 -0.036,569 0.078,570 -0.151,571 0.094,572 -0.063,573 0.033,574 0.012,575 0.092,576 0.035,577 0.081,578 0.039,579 0.115,580 0.036,581 0.012,582 -0.015,583 0.102,584 0.04,585 -0.035,586 0.077,587 0.074,588 -0.033,589 -0.031,590 -0.079,591 0.124,592 -0.001,593 -0.05,594 0.06,595 -0.136,596 0.025,597 -0.043,598 -0.064,599 -0.153,600 -0.086,601 -0.146,602 -0.105,603 -0.092,604 -0.143,605 5.601,606 5.359,607 0.581,608 67.083,609 1.031,610 1.144,611 2.77,612 7.673,613 0.645,614 3.871,615 4.234,616 4.511,617 4.787,618 4.97,619 5.142,620 5.303,621 5.485,622 5.613,623 5.727,624 9.839,625 0.634,626 617.72,627 3.871,628 5.442,629 6.304,630 7.204,631 8.087,632 8.994,633 9.887,634 10.799,635 11.699,636 12.615,637 12.2,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 74,667 24,668 1,669 47,671 78,672 25,673 13,674 2,675 4,676 1,677 5,678 6,681 1,683 3,686 8,688 14,689 11,691 3,693 1,694 3,697 1,700 31,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 43,740 1,742 1,743 3,744 6,745 1,746 2,747 4,751 1,754 10.8,755 2,756 1,757 3,758 2,761 22.917,762 12.917,763 9.361,764 4.395,765 3.727,766 1.416,767 0.921,768 9.457,769 12.696,770 4.119,771 4.745,772 5.278,773 5.871,774 6.32,775 6.727,776 7.168,777 7.617,778 7.935,779 8.257,780 1,781 69,782 16.714,783 8.016,784 8.153,785 29.415,786 24.482,787 2.653,788 114.083,789 294.278,790 107.906,791 136.538,793 217.053,795 7.511,796 100.395,797 511.331,798 136.538,799 8.825,800 33.67,801 172.728,802 242.056,803 11.762,804 27.769,805 258.964,807 294.278,808 236.933,809 217.053,810 7.511,812 294.278,813 112.141,814 104.912,815 63.305,816 90.068,817 91.071,819 294.278,820 353.591,821 107.906,823 7.511,824 294.278,825 35.998,826 68.072,827 16.405,828 333.51,829 294.278,830 353.591,831 107.906,833 0.589,834 0.343,835 0.18,836 0.092,837 32,838 16,839 0.154,840 12,841 1,842 1.08,843 5.137,844 440.432,845 0.08,846 25,847 231.329,848 1,849 31.061,850 13.091,851 6.904,852 0.353,853 349.915,854 8.317,855 21.189,856 0.168,857 2.69,858 177.352,859 755.775,860 60.5,862 -4.684,863 36.98,866 -1.127,867 76.331,868 84.647,869 0.299,870 0.706,871 0.875,872 0.937,873 0.955,874 0.955,875 5.39,876 1.942,877 6.33,878 6.78,879 4.92,880 5.434,881 2.31,882 7.197,883 4.82,884 6.623,885 1.881,886 7.931,887 5.916,888 4.691,889 5.497,891 8.313,892 4.555,893 7.968,894 1.74,895 9.638,896 5.163,897 6.603,898 7.719,899 2.87,900 11.376,901 6.41,902 9.355,903 1.587,904 11.404,905 4.75,906 7.186,907 8.613,909 13.276,910 6.955,911 10.776,912 1.418,913 13.208,914 4.1,915 8.603,916 10.363,917 3.593,918 15.899,919 8.323,920 12.22,921 1.414,922 15.037,923 3.3,924 9.523,925 11.599,927 18.095,928 9.202,929 13.683,930 1.1,931 16.882,932 3.07,933 10.769,934 13.188,935 4.417,936 20.578,937 10.404,938 3.319,939 1.046,940 18.741,941 2.982,942 11.829,943 14.571,945 22.898,946 11.422,947 3.235,948 11.664,949 20.608,950 2.615,951 13.016,952 16.103,953 5.291,954 25.335,955 12.568,956 3.057,957 11.105,958 22.483,959 4.624,960 14.136,961 17.553,963 27.709,964 13.646,965 2.884,966 10.249,967 24.364,968 4.489,969 15.306,970 19.066,971 6.188,972 30.134,973 14.774,974 2.82,975 9.481,976 26.25,977 3.899,978 16.451,979 20.547,981 32.535,982 15.88,983 2.412,984 9.116,985 28.14,986 3.87,987 17.618,988 22.056,989 7.095,990 34.958,991 17.006,992 2.247,993 7.921,994 30.033,995 3.337,996 18.777,997 23.553,999 37.374,1000 18.125,1001 32266,1002 57606,1003 30.63,1004 47.71,1005 71.123,1006 73.466,1007 74.097,1008 70.886,1009 70.811,1010 90.524,1011 7.2,1012 211.707,1013 67.225,1014 5.683,1015 6.473,1016 6.872,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 26.05,1024 1.513,1025 1.563,1026 1.577,1027 1.508,1028 1.507,1029 1.926,1030 0.153,1031 4.504,1032 1.43,1033 4.135,1034 4.187,1035 4.71,1036 3.939,1037 7.725,1038 3.969,1039 3.989,1040 3.977,1041 4.111,1042 3.879,1043 7.428,1044 3.864,1045 3.898,1046 3.959,1047 3.859,1048 3.765,1049 6.999,1050 3.724,1051 3.846,1052 3.845,1053 3.845,1054 3.703,1055 6.495,1056 3.684,1057 3.754,1058 3.772,1059 3.701,1060 3.587,1061 6.468,1062 3.575,1063 3.681,1064 3.726,1065 3.527,1066 3.507,1067 6.4,1068 3.509,1069 3.393,1070 3.476,1071 3.266,1072 3.196,1073 5.287,1074 3.195,1075 3.284,1076 3.368,1077 3.173,1078 3.049,1079 5.057,1080 3.069,1081 0.1,1082 0.095,1083 0.148,1084 0.09,1085 0.071,1086 4.705,1087 0.098,1088 4.473,1089 0.034,1090 6.935,1091 0.248,1092 4.251,1093 0.068,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 2.03,1102 2.038,1103 1.363,1104 2.006,1105 1.821,1106 1.773,1107 1.991,1108 2.005,1109 1.172,1110 1.992,1111 1.774,1112 1.715,1113 1.855,1114 1.935,1115 1.072,1116 1.965,1117 1.646,1118 1.676,1119 1.811,1120 1.858,1121 1.065,1122 1.869,1123 1.569,1124 1.537,1125 1.775,1126 1.816,1127 1,1128 1.787,1129 1.544,1130 1.49,1131 1.652,1132 1.73,1133 0.787,1134 1.756,1135 1.441,1136 1.419,1137 1.528,1138 1.683,1139 0.7,1140 1.68,1141 1.291,1142 1.214,1143 1.37,1144 1.571,1145 0.57,1146 1.534,1147 4.554,1149 5.905,1150 3.434,1151 7.433,1152 5.82,1153 9.044,1154 7.928,1155 10.704,1157 2.135,1161 6.125,1162 31.144,1163 4.293,1164 1.665,1165 10.572,1166 -5.737,1170 46.893,1171 137.294,1172 324.26,1173 401.99,1174 430.745,1175 438.745,1176 438.745,1177 129.322,1178 8.969,1179 242.72,1180 251.1,1181 27,1182 13.129,1183 4.644,1184 3.858,1185 71.637,1186 249,1187 324,1188 0.137,1189 288.588,1190 497.09,1191 695.914,1192 124117,1194 30.725,1195 0.715,1196 0.554,1197 30.975,1198 23.832,1199 20.575,1200 0.438,1201 0.317,1202 13.324,1203 18.655,1204 13.064,1205 10.779,1206 21.428,1207 14.912,1208 19.254,1209 0.283,1210 0.166,1211 20.563,1212 11.279,1213 15.976,1214 0.178,1215 0.086,1216 16.824,1217 7.716,1218 13.3,1219 0.112,1220 0.044,1221 14.151,1222 5.285,1223 9.856,1224 0.069,1225 0.024,1226 10.604,1227 3.427,1228 0.22,1229 140.923,1230 0.181,1231 38.566,1232 0.359,1233 230,1234 829.148,1235 303.018,1236 796.182,1237 1067.27,1238 734,1239 273,1240 757.85,1241 359.532,1242 787.666,1243 1163.11,1244 738,1245 9.538}
{0 CHEMBL611774,1 1.978,2 15.179,3 -1.367,4 1.868,5 131.039,6 9.393,7 0.488,8 4.284,9 4.37,10 4.118,11 3.668,12 5.563,13 3.737,14 4.806,15 4.915,16 4.455,17 4.06,18 6.288,19 4.123,20 5.037,21 5.18,22 4.532,23 4.15,24 6.46,25 4.198,26 5.116,27 5.278,28 4.554,29 4.132,30 6.661,31 4.18,32 5.038,33 5.203,34 4.529,35 4.116,36 6.424,37 4.145,38 5.047,39 5.19,40 4.544,41 4.089,42 6.665,43 4.149,44 5.032,45 5.189,46 4.38,47 4.036,48 6.547,49 4.078,50 4.925,51 5.086,52 4.301,53 3.983,54 6.366,55 4.008,56 0.528,57 0.975,58 11.452,59 4.684,60 74.618,61 4.442,62 1.265,63 1.459,64 18.463,65 7.843,66 133.438,67 8.03,68 1.723,69 1.618,70 30.012,71 9.798,72 188.941,73 10.675,74 2.106,75 1.614,76 34.64,77 9.626,78 258.889,79 10.578,80 1.757,81 1.557,82 34.748,83 9.685,84 192.697,85 10.433,86 1.895,87 1.52,88 36.459,89 9.307,90 257.026,91 9.806,92 1.947,93 1.429,94 31.472,95 8.77,96 238.247,97 9.446,98 1.516,99 1.34,100 27.283,101 8.116,102 193.644,103 9.347,104 66,105 64,106 0.315,107 0.738,108 0.863,109 0.909,110 0.92,111 0.92,112 3.693,113 0.874,114 -2.24,115 -2.28,116 -2.25,119 33.3,125 2,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 4,159 10,160 1,162 1,163 5,165 3,166 4,168 5,169 1,170 1,171 5,172 1,173 3,175 2,177 9,178 5,180 3,181 8,182 1,183 3,187 5,188 4,189 1,190 5,192 1,197 4,198 6,200 2,201 11,202 1,211 7,212 4,215 5,216 2,219 1,223 1,224 1,227 5,228 2,229 1,231 2,234 7,235 3,237 1,238 8,240 2,246 3105,247 25.748,248 25.748,249 25.748,250 25.748,251 25.748,252 22.833,253 31.759,254 14.539,255 26.385,256 21.083,257 21.083,258 21.083,259 21.083,260 21.083,261 16.485,262 38.272,263 6.78,264 22.277,265 3.929,266 1.275,267 0.492,268 0.2,269 0.133,270 0.133,271 4.388,276 1284,277 4.416,280 318.883,281 264.788,282 174.012,284 2.398,285 84.719,286 0.25,287 0.5,288 0.5,289 0.3,291 0.33,292 0.5,293 0.34,294 91.5,295 592,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.99,318 3.056,319 3.899,320 0.98,321 10.249,322 2.863,323 4.255,324 3.212,325 6.341,326 3.874,327 2.884,328 3.869,329 0.765,330 9.481,331 2.834,332 4.113,333 2.968,334 6.157,335 3.759,336 2.816,337 3.337,339 9.11,340 2.653,341 3.696,342 2.677,343 5.881,344 3.334,345 2.407,346 3.001,347 7.918,348 2.224,349 3.552,350 2.633,351 5.277,352 3.158,353 2.221,354 2.878,355 6.653,356 2.076,357 3.357,358 2.473,359 5.245,360 2.928,361 1.942,362 2.592,363 5.916,364 1.908,365 3.043,366 2.243,367 4.868,368 2.82,369 1.881,370 2.127,371 5.163,372 1.747,373 2.861,374 1.969,375 4.794,376 2.478,377 1.587,378 2.015,379 4.75,380 1.406,381 2.852,382 1.548,383 4.342,384 2.392,385 1.419,386 1.985,387 3.973,388 1.377,389 2.73,390 1.543,391 4.142,392 2.349,393 1.414,394 1.761,395 3.07,396 1.317,397 2.55,398 1.469,399 3.894,400 2.051,401 1.072,402 1.512,403 2.984,404 1.046,405 2.461,406 1.311,407 3.664,408 1.984,409 1.046,410 1.448,411 2.615,412 0.973,413 2.209,414 1.248,415 3.605,416 1.781,417 0.871,418 1.114,419 2.28,420 0.789,421 17.433,422 0.447,423 1.269,424 0.033,425 51.25,426 1.314,427 23.5,428 0.603,429 27.75,430 0.712,431 33.938,432 0.87,433 44.367,434 0.739,435 49.663,436 1.273,437 10.336,438 0.265,439 8.239,440 0.211,441 0.157,442 0.048,443 0.39,447 0.923,448 1.502,449 0.745,450 1.321,451 0.934,452 0.88,453 0.826,454 1.068,455 0.791,456 0.973,457 0.707,458 0.918,459 0.995,460 1.223,461 0.966,462 1.143,463 0.903,464 1.049,465 1.062,466 0.9,467 1.011,468 0.899,469 1.003,470 0.944,471 1.055,472 1.04,473 1.086,474 1.06,475 1.041,476 0.932,477 1.042,478 1.048,479 1.27,480 1.221,481 1.046,482 0.995,483 1.2,484 0.914,485 1.166,486 0.937,487 1.22,488 1.047,489 1.085,490 1.088,491 1.079,492 1.113,493 1.072,494 1.137,495 9.5,496 0.405,497 5.778,498 3.833,499 2.862,500 1.785,501 1.213,502 0.819,503 0.633,504 0.443,505 25276,506 95993,507 2.043,508 35,510 11,511 2,512 1,513 7,518 1.793,519 1.865,520 3.841,521 4.013,524 118.678,525 1.978,526 4.631,527 5.415,528 5.707,529 5.774,530 5.774,531 3.379,532 5.183,533 5.255,534 4.039,535 2992.9,536 9.263,537 51049.7,539 354.413,540 1.662,541 5.187,542 0.221,543 0.01,544 0.09,545 0.059,546 0.045,547 0.03,548 0.019,549 0.015,550 0.013,551 0.009,552 0.512,553 0.17,554 0.5,555 0.74,556 219.312,557 -0.158,558 -0.199,559 0.125,560 -0.112,561 -0.232,562 0.047,563 0.079,564 0.096,565 -0.02,566 0.023,567 0.064,568 -0.024,569 -0.024,570 -0.185,571 -0.024,572 -0.124,573 -0.035,574 -0.086,575 -0.005,576 0.08,577 -0.02,578 0.044,579 0.035,580 -0.015,581 -0.071,582 -0.02,583 0.032,584 0.024,585 -0.091,586 0.05,587 0.025,588 -0.009,589 -0.131,590 -0.119,591 0.079,592 -0.06,593 -0.109,594 0.051,595 -0.202,596 -0.005,597 -0.099,598 -0.123,599 -0.108,600 -0.091,601 -0.119,602 -0.131,603 -0.073,604 -0.164,605 5.612,606 5.278,607 0.641,608 49.065,609 1.054,610 1.146,611 1.007,612 1.014,613 0.656,614 3.784,615 4.174,616 4.466,617 4.745,618 4.927,619 5.094,620 5.242,621 5.425,622 5.545,623 5.642,624 8.681,625 0.666,626 563.57,627 3.784,628 5.371,629 6.244,630 7.154,631 8.044,632 8.957,633 9.855,634 10.771,635 11.674,636 12.591,637 15,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 60,667 24,668 1,669 43,671 64,672 20,673 13,674 2,675 4,676 1,677 5,678 6,681 1,683 3,686 3,688 14,689 6,691 3,693 1,694 3,697 1,700 21,701 16,702 7,703 19,704 1,706 1,707 9,711 0.8,712 9,713 1,714 2,715 1,717 1,721 3,722 2,730 3,731 1,732 4,733 1,739 39,740 1,742 1,743 4,744 2,745 1,746 2,747 4,751 1,754 15,755 3,756 1,757 3,758 2,761 20.917,762 10.117,763 8.361,764 2.995,765 3.63,766 1.419,767 0.909,768 7.402,769 12.294,770 4.052,771 4.71,772 5.257,773 5.854,774 6.302,775 6.706,776 7.14,777 7.59,778 7.901,779 8.207,780 1,781 65,782 15.189,783 7.488,784 8.374,785 25.85,786 21.571,787 2.874,788 112.083,789 164.795,790 86.408,791 136.538,793 259.737,795 7.511,796 78.897,797 424.532,798 136.538,800 20.997,801 215.411,802 242.056,803 11.762,804 27.769,805 129.482,807 164.795,808 215.435,809 259.737,810 7.511,812 164.795,813 112.141,814 147.595,815 41.807,816 90.068,817 91.071,819 164.795,820 396.274,821 86.408,823 7.511,824 164.795,825 23.326,826 59.247,827 16.405,828 376.194,829 164.795,830 396.274,831 86.408,833 0.6,834 0.357,835 0.187,836 0.095,837 32,838 16,839 0.125,840 8,841 1,842 1.08,843 4.751,844 395.862,845 0.08,846 25,847 204.131,848 1,849 27.163,850 10.628,851 5.384,852 0.222,853 392.599,854 7.879,855 20.076,856 -0.577,857 2.41,858 220.036,859 647.478,860 56.5,862 -4.695,863 36.752,866 -1.143,867 63.24,868 68.781,869 0.335,870 0.784,871 0.917,872 0.966,873 0.977,874 0.977,875 5.334,876 1.942,877 6.286,878 6.653,879 4.86,880 5.398,881 2.42,882 7.171,883 4.75,884 6.585,885 1.881,886 7.902,887 5.916,888 4.691,889 5.497,891 8.313,892 4.555,893 7.942,894 1.587,895 9.619,896 5.163,897 6.569,898 7.708,899 2.908,900 11.369,901 6.366,902 9.337,903 1.419,904 11.392,905 4.75,906 7.186,907 8.613,909 13.275,910 6.953,911 10.764,912 1.414,913 13.2,914 3.973,915 8.587,916 10.36,917 3.604,918 15.896,919 8.299,920 12.212,921 1.072,922 15.032,923 3.07,924 9.522,925 11.598,927 18.094,928 9.199,929 13.677,930 1.046,931 16.879,932 2.984,933 10.761,934 13.187,935 4.42,936 20.577,937 10.39,938 3.319,939 0.871,940 18.738,941 2.615,942 11.827,943 14.571,945 22.897,946 11.419,947 3.235,948 11.664,949 20.606,950 2.28,951 13.012,952 16.103,953 5.292,954 25.334,955 12.56,956 3.056,957 11.105,958 22.482,959 4.624,960 14.134,961 17.552,963 27.708,964 13.642,965 2.884,966 10.249,967 24.363,968 4.489,969 15.303,970 19.066,971 6.189,972 30.133,973 14.769,974 2.816,975 9.481,976 26.249,977 3.899,978 16.45,979 20.547,981 32.534,982 15.876,983 2.407,984 9.11,985 28.139,986 3.869,987 17.616,988 22.056,989 7.095,990 34.958,991 17.002,992 2.221,993 7.918,994 30.032,995 3.337,996 18.776,997 23.553,999 37.373,1000 18.122,1001 23890,1002 46762,1003 27.857,1004 39.358,1005 66.078,1006 68.701,1007 69.145,1008 65.617,1009 65.683,1010 85.39,1011 8.729,1012 201.431,1013 61.934,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 24.127,1024 1.537,1025 1.598,1026 1.608,1027 1.526,1028 1.528,1029 1.986,1030 0.203,1031 4.684,1032 1.44,1033 4.132,1034 4.184,1035 4.71,1036 3.935,1037 7.725,1038 3.966,1039 3.989,1040 3.977,1041 4.109,1042 3.878,1043 7.428,1044 3.864,1045 3.882,1046 3.937,1047 3.857,1048 3.764,1049 6.999,1050 3.701,1051 3.838,1052 3.836,1053 3.837,1054 3.632,1055 6.495,1056 3.653,1057 3.738,1058 3.735,1059 3.694,1060 3.557,1061 6.468,1062 3.559,1063 3.333,1064 3.405,1065 3.261,1066 3.083,1067 6.457,1068 3.116,1069 3.21,1070 3.244,1071 3.171,1072 2.986,1073 6.4,1074 3.01,1075 3.147,1076 3.21,1077 3.033,1078 2.881,1079 5.284,1080 2.894,1081 0.109,1082 0.104,1083 0.161,1084 0.099,1085 0.077,1086 4.705,1087 0.108,1088 4.473,1089 0.037,1090 6.935,1091 0.271,1092 4.251,1093 0.075,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.038,1103 1.172,1104 2.006,1105 1.817,1106 1.77,1107 1.852,1108 2.005,1109 1.065,1110 1.986,1111 1.646,1112 1.676,1113 1.78,1114 1.858,1115 1.002,1116 1.869,1117 1.564,1118 1.539,1119 1.689,1120 1.817,1121 0.858,1122 1.786,1123 1.513,1124 1.474,1125 1.642,1126 1.72,1127 0.752,1128 1.708,1129 1.441,1130 1.417,1131 1.369,1132 1.683,1133 0.57,1134 1.679,1135 1.196,1136 1.121,1137 1.328,1138 1.555,1139 0.408,1140 1.486,1141 1.096,1142 1.056,1143 1.282,1144 1.405,1145 0.333,1146 1.373,1147 4.466,1149 5.838,1150 3.434,1151 7.385,1152 5.82,1153 9.01,1154 7.928,1155 10.679,1161 5.994,1162 40.096,1163 -1.15,1164 1.637,1165 10.441,1166 -5.859,1170 39.974,1171 118.678,1172 277.884,1173 324.904,1174 342.413,1175 346.413,1176 346.413,1177 113.69,1178 8.664,1179 262.95,1180 271.33,1181 27,1182 13.104,1183 4.644,1184 3.858,1185 61.621,1186 203,1187 208,1188 0.146,1189 244.622,1190 419.38,1191 588.638,1192 82353,1194 27.897,1195 0.715,1196 0.524,1197 28.147,1198 20.45,1199 18.575,1200 0.432,1201 0.291,1202 10.912,1203 16.573,1204 10.749,1205 8.76,1206 19.428,1207 12.521,1208 17.813,1209 0.278,1210 0.15,1211 19.122,1212 9.627,1213 15.088,1214 0.175,1215 0.077,1216 15.936,1217 6.591,1218 12.549,1219 0.11,1220 0.04,1221 13.399,1222 4.51,1223 9.285,1224 0.068,1225 0.021,1226 10.033,1227 2.922,1228 0.233,1229 129.63,1230 0.189,1231 35.332,1232 0.39,1233 214,1234 845.298,1235 288.457,1236 805.73,1237 1071.95,1238 742,1239 257,1240 751.365,1241 344.917,1242 780.479,1243 1153.65,1244 730,1245 9.046}
{0 CHEMBL611775,1 1.92,2 16.773,3 0.01,5 154.06,6 9.186,7 0.551,8 4.397,9 4.491,10 4.212,11 3.838,12 5.659,13 3.887,14 4.907,15 5.019,16 4.559,17 4.235,18 6.353,19 4.277,20 5.154,21 5.3,22 4.631,23 4.335,24 6.529,25 4.359,26 5.237,27 5.409,28 4.654,29 4.309,30 6.717,31 4.334,32 5.18,33 5.358,34 4.64,35 4.274,36 6.536,37 4.293,38 5.157,39 5.313,40 4.638,41 4.226,42 6.719,43 4.276,44 5.135,45 5.306,46 4.484,47 4.175,48 6.61,49 4.211,50 5.007,51 5.165,52 4.444,53 4.156,54 6.422,55 4.18,56 0.473,57 1.136,58 12.929,59 5.465,60 64.132,61 5.231,62 1.175,63 1.719,64 20.252,65 9.224,66 116.307,67 9.592,68 1.614,69 1.974,70 33.06,71 11.891,72 173.493,73 12.782,74 2.027,75 2.008,76 39.294,77 11.901,78 247.41,79 13.269,80 1.782,81 1.936,82 40.182,83 11.363,84 185.949,85 12.341,86 1.889,87 1.864,88 40.504,89 10.755,90 247.704,91 11.237,92 1.964,93 1.748,94 35.887,95 9.656,96 228.663,97 10.247,98 1.367,99 1.665,100 28.669,101 9.324,102 170.638,103 10.282,104 65,105 73,106 0.296,107 0.697,108 0.822,109 0.901,110 0.921,111 0.921,112 3.81,113 0.87,114 -3.11,115 -3.1,116 -2.98,119 36.8,125 1,127 3,128 1,134 8,135 2,136 2,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 2,153 2,154 2,155 2,157 8,159 10,160 2,162 1,163 5,165 5,166 8,167 2,168 5,169 5,170 1,171 4,172 1,173 5,175 4,176 2,177 9,178 10,180 3,181 6,182 1,183 4,186 1,187 5,188 9,189 2,190 6,192 1,197 4,198 12,200 4,201 11,202 1,211 7,212 7,215 5,216 2,217 1,219 1,221 1,223 1,224 6,226 2,227 6,228 1,229 3,231 1,233 2,234 7,235 7,237 1,238 7,240 3,244 1,246 4472,247 29.101,248 29.101,249 29.101,250 29.101,251 29.101,252 25.474,253 30.205,254 16.519,255 29.733,256 24.127,257 24.127,258 24.127,259 24.127,260 24.127,261 18.54,262 33.461,263 7.819,264 25.304,265 4.167,266 1.568,267 0.757,268 0.246,269 0.118,270 0.118,271 4.513,276 1618,277 4.416,280 360.135,281 453.048,282 197.851,284 2.783,285 85.59,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 101,295 738,296 4.705,297 4.473,298 6.935,299 4.252,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.354,315 3.552,316 6.557,317 4.008,318 3.068,319 4.032,320 0.98,321 10.257,322 2.9,323 4.278,324 3.213,325 6.341,326 3.907,327 2.94,328 3.899,330 9.53,331 2.857,332 4.16,333 2.995,334 6.279,335 3.871,336 2.882,337 3.598,339 9.479,340 2.811,341 3.992,342 2.746,343 6.011,344 3.584,345 2.637,346 3.314,347 8.595,348 2.493,349 3.674,350 2.677,351 5.864,352 3.307,353 2.374,354 3.001,355 7.869,356 2.208,357 3.561,358 2.558,359 5.246,360 3.159,361 2.199,362 2.89,363 6.104,364 2.104,365 3.357,366 2.293,367 5.057,368 2.928,369 1.942,370 2.592,371 5.916,372 1.908,373 3.1,374 2.242,375 4.868,376 2.82,377 1.882,378 2.363,379 5.163,380 1.747,381 3.042,382 1.969,383 4.794,384 2.594,385 1.641,386 2.12,387 4.751,388 1.561,389 2.861,390 1.664,391 4.555,392 2.477,393 1.586,394 2.015,395 4.634,396 1.405,397 2.756,398 1.543,399 4.148,400 2.392,401 1.414,402 1.84,403 3.246,404 1.377,405 2.711,406 1.469,407 4.05,408 2.234,409 1.264,410 1.763,411 3.07,412 1.226,413 2.558,414 1.311,415 3.894,416 2.053,417 1.114,418 1.579,419 2.962,420 1.046,421 20,422 0.455,423 1.427,424 0.032,425 60.75,426 1.381,427 30,428 0.682,429 30.75,430 0.699,431 38.089,432 0.866,433 48.4,434 0.712,435 59.431,436 1.351,437 12.132,438 0.276,439 8.871,440 0.202,441 0.14,442 0.042,443 0.39,447 0.881,448 1.35,449 0.74,450 1.205,451 0.921,452 0.834,453 0.76,454 1.047,455 0.771,456 0.976,457 0.649,458 0.919,459 1.005,460 1.214,461 0.982,462 1.147,463 0.94,464 1.071,465 1.051,466 1.009,467 0.979,468 0.952,469 0.998,470 0.965,471 1.095,472 1.037,473 1.077,474 1.008,475 1.07,476 0.906,477 1.106,478 1.072,479 1.249,480 1.172,481 1.1,482 0.959,483 1.299,484 0.857,485 1.168,486 0.81,487 1.283,488 0.919,489 1.121,490 1.117,491 1.034,492 1.069,493 1.101,494 1.051,495 10.5,496 0.475,497 6.444,498 3.986,499 3.129,500 2.045,501 1.249,502 0.869,503 0.73,504 0.538,505 36892,506 126762,507 2.076,508 35.3,510 13,511 2,512 1,513 8,518 1.821,519 1.906,520 3.993,521 4.642,524 130.593,525 1.92,526 4.52,527 5.33,528 5.841,529 5.97,530 5.97,531 3.5,532 5.323,533 5.427,534 4.209,535 3981.72,536 9.607,537 75165.6,539 413.947,540 1.625,541 5.369,542 0.214,543 0.008,544 0.088,545 0.054,546 0.043,547 0.03,548 0.018,549 0.014,550 0.012,551 0.009,552 0.491,553 0.17,554 0.5,555 0.571,556 257.483,557 -0.119,558 -0.098,559 0.126,560 -0.063,561 -0.234,562 0.066,563 0.155,564 0.095,565 -0.001,566 0.009,567 0.111,568 -0.033,569 -0.005,570 -0.187,571 -0.046,572 -0.134,573 -0.044,574 -0.115,575 0.036,576 -0.031,577 0.021,578 0.002,579 0.063,580 -0.02,581 -0.05,582 -0.026,583 0.045,584 0.03,585 -0.077,586 0.054,587 0.037,588 -0.038,589 -0.1,590 -0.111,591 0.088,592 -0.043,593 -0.118,594 0.121,595 -0.182,596 0.095,597 -0.092,598 -0.024,599 -0.109,600 -0.093,601 -0.094,602 -0.093,603 -0.07,604 -0.111,605 5.621,606 5.373,607 0.705,608 64.541,609 1.043,610 1.139,611 1.876,612 3.518,613 0.672,614 3.912,615 4.304,616 4.595,617 4.883,618 5.081,619 5.242,620 5.403,621 5.591,622 5.733,623 5.881,624 9.696,625 0.674,626 624.66,627 3.912,628 5.501,629 6.375,630 7.284,631 8.173,632 9.085,633 9.982,634 10.896,635 11.798,636 12.714,637 14.7,640 2,643 1,644 2,646 5,650 2,651 10,652 5,653 7,654 2,655 27,659 2,663 1,666 68,667 30,668 2,669 49,671 73,672 25,673 19,674 4,675 8,676 1,677 6,678 7,683 3,686 3,688 20,689 5,691 3,693 1,694 3,697 1,700 24,701 16,702 8,703 19,704 1,706 1,707 10,711 0.833,712 8,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 44,740 2,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 11.8,755 2,756 1,757 3,758 2,761 23.083,762 11.583,763 9.306,764 3.472,765 4.846,766 1.518,767 0.955,768 7.95,769 14.192,770 4.197,771 4.864,772 5.426,773 6.034,774 6.517,775 6.912,776 7.365,777 7.832,778 8.209,779 8.63,780 1,781 74,782 17.035,783 8.317,784 8.225,785 29.503,786 24.783,787 2.725,788 119.917,789 188.338,790 130.255,791 169.435,793 217.053,795 7.511,796 122.744,797 405.391,798 169.435,800 20.997,801 243.53,802 242.056,803 17.704,804 27.769,805 153.024,807 188.338,808 292.179,809 217.053,810 7.511,812 188.338,813 112.141,814 104.912,815 41.807,816 166.812,817 91.071,819 188.338,820 386.488,821 130.255,823 7.511,824 188.338,825 29.268,826 97.152,827 16.405,828 366.408,829 188.338,830 386.488,831 130.255,833 0.602,834 0.353,835 0.187,836 0.097,837 37,838 18,839 0.11,840 8,841 1,842 1.065,843 5.188,844 470.62,845 0.065,846 31,847 238.215,848 1,849 29.858,850 11.715,851 5.978,852 0.262,853 382.813,854 15.142,855 21.053,856 0.986,857 2.562,858 210.249,859 705.081,860 65.5,862 -4.705,863 37.018,866 -1.14,867 70.898,868 77.485,869 0.315,870 0.742,871 0.876,872 0.96,873 0.981,874 0.981,875 5.475,876 2.199,877 6.412,878 7.869,879 4.99,880 5.553,881 2.31,882 7.29,883 4.894,884 6.726,885 1.942,886 8.021,887 6.104,888 4.796,889 5.602,891 8.401,892 4.668,893 8.078,894 1.882,895 9.731,896 5.916,897 6.688,898 7.854,899 2.87,900 11.465,901 6.508,902 9.467,903 1.641,904 11.498,905 5.163,906 7.28,907 8.708,909 13.351,910 7.064,911 10.887,912 1.586,913 13.3,914 4.751,915 8.691,916 10.482,917 3.593,918 15.971,919 8.43,920 12.329,921 1.414,922 15.126,923 4.634,924 9.608,925 11.685,927 18.157,928 9.308,929 13.788,930 1.264,931 16.969,932 3.246,933 10.851,934 13.286,935 4.417,936 20.635,937 10.51,938 3.319,939 1.114,940 18.823,941 3.07,942 11.906,943 14.646,945 22.946,946 11.524,947 3.235,948 11.665,949 20.687,950 2.962,951 13.091,952 16.182,953 5.291,954 25.378,955 12.668,956 3.068,957 11.105,958 22.558,959 4.625,960 14.205,961 17.616,963 27.746,964 13.741,965 2.94,966 10.257,967 24.435,968 4.489,969 15.371,970 19.129,971 6.188,972 30.166,973 14.867,974 2.882,975 9.53,976 26.317,977 4.032,978 16.513,979 20.6,981 32.562,982 15.967,983 2.637,984 9.479,985 28.203,986 3.899,987 17.676,988 22.107,989 7.095,990 34.982,991 17.091,992 2.374,993 8.595,994 30.093,995 3.598,996 18.832,997 23.597,999 37.394,1000 18.205,1001 34306,1002 63881,1003 32.134,1004 45.67,1005 76.025,1006 78.092,1007 78.374,1008 75.283,1009 75.266,1010 99.351,1011 7.2,1012 229.785,1013 71.556,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 26.247,1024 1.552,1025 1.594,1026 1.599,1027 1.536,1028 1.536,1029 2.028,1030 0.147,1031 4.689,1032 1.46,1033 4.139,1034 4.19,1035 4.71,1036 3.954,1037 7.725,1038 3.98,1039 3.989,1040 4.009,1041 4.115,1042 3.882,1043 7.428,1044 3.871,1045 3.967,1046 3.977,1047 3.928,1048 3.858,1049 6.999,1050 3.863,1051 3.855,1052 3.858,1053 3.855,1054 3.764,1055 6.495,1056 3.692,1057 3.775,1058 3.785,1059 3.738,1060 3.591,1061 6.468,1062 3.587,1063 3.684,1064 3.719,1065 3.638,1066 3.469,1067 6.4,1068 3.503,1069 3.305,1070 3.384,1071 3.235,1072 3.065,1073 5.291,1074 3.095,1075 3.201,1076 3.225,1077 3.17,1078 2.982,1079 5.129,1080 3.005,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.252,1093 0.065,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.912,1100 1.885,1101 2.012,1102 2.041,1103 1.172,1104 2.012,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.098,1110 2.006,1111 1.811,1112 1.765,1113 1.847,1114 1.991,1115 1.065,1116 1.976,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 1,1122 1.869,1123 1.558,1124 1.535,1125 1.653,1126 1.814,1127 0.783,1128 1.782,1129 1.442,1130 1.42,1131 1.481,1132 1.683,1133 0.58,1134 1.68,1135 1.363,1136 1.313,1137 1.364,1138 1.589,1139 0.551,1140 1.552,1141 1.145,1142 1.087,1143 1.318,1144 1.444,1145 0.406,1146 1.405,1147 4.595,1149 5.969,1150 3.434,1151 7.517,1152 5.82,1153 9.143,1154 7.934,1155 10.812,1161 11.984,1162 31.181,1163 -0.779,1164 1.655,1165 10.559,1166 -5.862,1170 45.807,1171 130.593,1172 307.344,1173 362.438,1174 397.193,1175 405.947,1176 405.947,1177 117.879,1178 9.346,1179 268.74,1180 277.12,1181 33,1182 13.228,1183 4.954,1184 4.129,1185 66.281,1186 254,1187 254,1188 0.124,1189 279.206,1190 476.91,1191 673.023,1192 196474,1194 31.173,1195 0.708,1196 0.527,1197 31.423,1198 23.183,1199 21.003,1200 0.429,1201 0.29,1202 12.614,1203 19.048,1204 12.401,1205 10.15,1206 21.856,1207 14.211,1208 20.331,1209 0.279,1210 0.151,1211 21.64,1212 10.988,1213 17.086,1214 0.174,1215 0.077,1216 17.934,1217 7.564,1218 14.455,1219 0.11,1220 0.04,1221 15.305,1222 5.233,1223 10.91,1224 0.068,1225 0.021,1226 11.659,1227 3.414,1228 0.199,1229 143.782,1230 0.176,1231 39.101,1232 0.328,1233 244,1234 886.46,1235 318.045,1236 857.162,1237 1153.89,1238 790,1239 293,1240 826.695,1241 380.532,1242 860.42,1243 1269.58,1244 806,1245 9.201}
{0 CHEMBL611776,1 1.913,2 16.651,3 0.756,4 0.572,5 149.36,6 9.237,7 0.563,8 4.367,9 4.454,10 4.193,11 3.822,12 5.618,13 3.868,14 4.883,15 4.991,16 4.534,17 4.215,18 6.327,19 4.255,20 5.127,21 5.274,22 4.605,23 4.306,24 6.494,25 4.329,26 5.194,27 5.359,28 4.628,29 4.272,30 6.688,31 4.301,32 5.145,33 5.32,34 4.613,35 4.241,36 6.499,37 4.262,38 5.119,39 5.269,40 4.609,41 4.198,42 6.683,43 4.248,44 5.097,45 5.259,46 4.467,47 4.152,48 6.59,49 4.189,50 4.991,51 5.15,52 4.412,53 4.139,54 6.388,55 4.16,56 0.447,57 1.097,58 12.26,59 5.505,60 58.621,61 5.13,62 1.153,63 1.673,64 19.336,65 9.079,66 112.366,67 9.186,68 1.588,69 1.919,70 32.698,71 11.892,72 169.001,73 12.574,74 1.963,75 1.956,76 36.887,77 11.53,78 238.05,79 12.261,80 1.737,81 1.892,82 38.784,83 11.108,84 178.63,85 11.601,86 1.829,87 1.817,88 38.929,89 10.6,90 240.275,91 10.609,92 1.893,93 1.718,94 33.718,95 9.623,96 222.025,97 9.707,98 1.352,99 1.642,100 28.354,101 9.238,102 166.904,103 9.91,104 50,105 71,106 0.297,107 0.685,108 0.797,109 0.864,110 0.898,111 0.904,112 3.788,113 0.876,114 -3.79,115 -3.75,116 -3.57,119 37.9,125 1,127 3,128 1,134 9,135 2,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 10,159 10,160 2,162 1,163 5,165 3,166 10,168 5,169 5,170 1,171 4,172 1,173 3,175 5,177 9,178 11,180 3,181 6,182 1,183 3,187 5,188 11,189 1,190 5,192 1,197 4,198 12,200 2,201 9,202 1,211 7,212 9,215 5,216 2,217 1,219 1,221 1,223 1,224 6,227 4,228 1,229 3,231 1,233 2,234 7,235 8,237 1,238 7,240 4,244 2,246 4201,247 28.654,248 28.654,249 28.654,250 28.654,251 28.654,252 25.051,253 27.042,254 16.396,255 29.265,256 23.644,257 23.644,258 23.644,259 23.644,260 23.644,261 18.129,262 30.961,263 7.763,264 24.783,265 4.131,266 1.623,267 0.904,268 0.472,269 0.254,270 0.212,271 4.493,276 1575,277 4.359,280 350.931,281 441.728,282 192.619,284 2.729,285 81.843,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 98.5,295 716,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.339,315 3.552,316 6.557,317 4.004,318 3.066,319 4.007,320 0.98,321 10.256,322 2.885,323 4.278,324 3.212,325 6.341,326 3.891,327 2.924,328 3.899,330 9.493,331 2.855,332 4.152,333 2.982,334 6.269,335 3.869,336 2.881,337 3.504,339 9.474,340 2.802,341 3.933,342 2.696,343 5.996,344 3.537,345 2.592,346 3.283,347 8.523,348 2.443,349 3.648,350 2.676,351 5.861,352 3.29,353 2.357,354 2.925,355 7.86,356 2.189,357 3.366,358 2.534,359 5.246,360 2.928,361 1.943,362 2.765,363 5.917,364 1.908,365 3.357,366 2.244,367 4.868,368 2.856,369 1.891,370 2.592,371 5.163,372 1.821,373 3.043,374 1.969,375 4.794,376 2.818,377 1.877,378 2.143,379 5.035,380 1.746,381 2.926,382 1.898,383 4.674,384 2.478,385 1.587,386 2.097,387 4.749,388 1.411,389 2.861,390 1.543,391 4.192,392 2.419,393 1.456,394 2.015,395 3.672,396 1.395,397 2.741,398 1.469,399 4.136,400 2.392,401 1.414,402 1.778,403 3.07,404 1.377,405 2.564,406 1.459,407 3.894,408 2.055,409 1.129,410 1.587,411 2.99,412 1.047,413 2.549,414 1.311,415 3.67,416 2.05,417 1.046,418 1.511,419 2.617,420 1.04,421 19.6,422 0.456,423 1.321,424 0.031,425 59.5,426 1.384,427 29.5,428 0.686,429 30,430 0.698,431 36.749,432 0.855,433 47,434 0.712,435 57.146,436 1.329,437 11.909,438 0.277,439 8.7,440 0.202,441 0.122,442 0.043,443 0.372,447 0.848,448 1.361,449 0.726,450 1.229,451 0.883,452 0.853,453 0.76,454 1.022,455 0.791,456 0.972,457 0.656,458 0.934,459 0.992,460 1.183,461 0.964,462 1.118,463 0.926,464 1.041,465 1.074,466 1,467 0.999,468 0.947,469 1.022,470 0.966,471 1.121,472 1.027,473 1.093,474 0.986,475 1.095,476 0.885,477 1.13,478 1.094,479 1.269,480 1.17,481 1.12,482 0.951,483 1.297,484 0.876,485 1.174,486 0.831,487 1.313,488 0.936,489 1.15,490 1.115,491 1.059,492 1.042,493 1.125,494 1.04,495 9.5,496 0.437,497 6.222,498 3.799,499 2.858,500 2.014,501 1.193,502 0.807,503 0.73,504 0.508,505 34821,506 118571,507 2.091,508 34.8,510 14,511 2,512 1,513 6,518 1.816,519 1.933,520 3.975,521 3.032,524 126.262,525 1.913,526 4.421,527 5.141,528 5.573,529 5.791,530 5.832,531 3.485,532 5.194,533 5.394,534 4.181,535 3775.27,536 9.541,537 69889.7,539 398.93,540 1.596,541 5.342,542 0.198,543 0.008,544 0.088,545 0.053,546 0.041,547 0.03,548 0.017,549 0.013,550 0.013,551 0.009,552 0.469,553 0.17,554 0.63,555 0.553,556 249.788,557 -0.093,558 -0.131,559 0.138,560 -0.096,561 -0.212,562 0.041,563 0.158,564 0.108,565 -0.024,566 -0.005,567 0.105,568 -0.061,569 0.013,570 -0.173,571 -0.013,572 -0.112,573 -0.026,574 -0.081,575 0.032,576 -0.012,577 0.001,579 0.063,580 -0.036,581 -0.065,582 -0.011,583 0.04,584 0.047,585 -0.087,586 0.069,587 0.025,588 -0.056,589 -0.11,590 -0.108,591 0.093,592 -0.038,593 -0.105,594 0.113,595 -0.193,596 0.076,597 -0.091,598 -0.049,599 -0.138,600 -0.099,601 -0.11,602 -0.077,603 -0.091,604 -0.101,605 5.612,606 5.363,607 0.721,608 61.43,609 1.042,610 1.136,611 2.563,612 6.569,613 0.677,614 3.892,615 4.277,616 4.575,617 4.86,618 5.056,619 5.215,620 5.38,621 5.565,622 5.71,623 5.849,624 9.504,625 0.679,626 609.64,627 3.892,628 5.476,629 6.351,630 7.258,631 8.148,632 9.058,633 9.956,634 10.869,635 11.772,636 12.687,637 13.6,640 1,643 1,644 2,646 5,650 2,651 11,652 5,653 6,654 2,655 27,659 1,663 1,666 66,667 30,668 2,669 48,671 71,672 25,673 19,674 3,675 9,676 1,677 6,678 7,683 3,686 3,688 20,689 5,691 3,693 1,694 3,697 1,700 23,701 15,702 6,703 18,704 1,706 1,707 9,711 0.833,712 8,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 43,740 1,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 12.1,755 2,756 1,757 3,758 2,761 22.25,762 11.333,763 9.139,764 3.444,765 4.794,766 1.518,767 0.95,768 7.738,769 14.046,770 4.182,771 4.84,772 5.406,773 6.012,774 6.492,775 6.881,776 7.342,777 7.805,778 8.184,779 8.594,780 1,781 72,782 16.666,783 8.134,784 8.203,785 28.936,786 24.301,787 2.703,788 116.25,789 200.109,790 136.975,791 136.538,793 217.053,795 7.511,796 129.464,797 417.162,798 136.538,800 20.997,801 220.109,802 242.056,803 14.948,804 27.769,805 164.795,807 200.109,808 266.002,809 217.053,810 7.511,812 200.109,813 112.141,814 104.912,815 41.807,816 140.635,817 91.071,819 200.109,820 353.591,821 136.975,823 7.511,824 200.109,825 26.511,826 106.628,827 16.405,828 333.51,829 200.109,830 353.591,831 136.975,833 0.599,834 0.354,835 0.188,836 0.097,837 36,838 17,839 0.113,840 8,841 1,842 1.065,843 5.142,844 456.225,845 0.065,846 31,847 227.329,848 1,849 28.94,850 11.498,851 5.764,852 0.297,853 349.915,854 17.49,855 21.097,856 0.685,857 2.607,858 177.352,859 690.675,860 64.5,862 -4.695,863 36.988,866 -1.134,867 68.796,868 74.986,869 0.317,870 0.732,871 0.85,872 0.922,873 0.958,874 0.965,875 5.454,876 1.943,877 6.382,878 7.86,879 4.963,880 5.529,881 2.31,882 7.259,883 4.867,884 6.7,885 1.891,886 7.99,887 5.917,888 4.745,889 5.551,891 8.377,892 4.616,893 8.048,894 1.877,895 9.701,896 5.163,897 6.658,898 7.825,899 2.87,900 11.443,901 6.476,902 9.435,903 1.587,904 11.47,905 5.035,906 7.245,907 8.671,909 13.339,910 7.027,911 10.855,912 1.456,913 13.276,914 4.749,915 8.665,916 10.456,917 3.593,918 15.959,919 8.401,920 12.298,921 1.414,922 15.105,923 3.672,924 9.582,925 11.656,927 18.149,928 9.279,929 13.758,930 1.129,931 16.951,932 3.07,933 10.83,934 13.263,935 4.417,936 20.627,937 10.485,938 3.319,939 1.046,940 18.808,941 2.99,942 11.886,943 14.624,945 22.94,946 11.5,947 3.235,948 11.665,949 20.674,950 2.617,951 13.073,952 16.163,953 5.291,954 25.373,955 12.646,956 3.066,957 11.105,958 22.547,959 4.625,960 14.189,961 17.599,963 27.741,964 13.72,965 2.924,966 10.256,967 24.426,968 4.489,969 15.357,970 19.114,971 6.188,972 30.162,973 14.848,974 2.881,975 9.493,976 26.309,977 4.007,978 16.5,979 20.586,981 32.559,982 15.949,983 2.592,984 9.474,985 28.196,986 3.899,987 17.664,988 22.095,989 7.095,990 34.979,991 17.073,992 2.357,993 8.523,994 30.086,995 3.504,996 18.82,997 23.586,999 37.391,1000 18.189,1001 32260,1002 59818,1003 31.728,1004 44.665,1005 74.346,1006 76.304,1007 76.065,1008 73.641,1009 73.607,1010 97.515,1011 7.2,1012 223.422,1013 70.02,1014 5.683,1015 6.473,1016 6.737,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 23.939,1024 1.549,1025 1.59,1026 1.585,1027 1.534,1028 1.533,1029 2.032,1030 0.15,1031 4.655,1032 1.459,1033 4.138,1034 4.19,1035 4.71,1036 3.952,1037 7.725,1038 3.979,1039 3.989,1040 4.002,1041 4.115,1042 3.882,1043 7.428,1044 3.866,1045 3.96,1046 3.977,1047 3.919,1048 3.854,1049 6.999,1050 3.861,1051 3.854,1052 3.855,1053 3.855,1054 3.764,1055 6.495,1056 3.692,1057 3.771,1058 3.776,1059 3.731,1060 3.59,1061 6.468,1062 3.585,1063 3.675,1064 3.715,1065 3.624,1066 3.465,1067 6.4,1068 3.497,1069 3.303,1070 3.381,1071 3.232,1072 3.063,1073 5.289,1074 3.093,1075 3.2,1076 3.224,1077 3.17,1078 2.982,1079 5.075,1080 3.004,1081 0.098,1082 0.093,1083 0.144,1084 0.089,1085 0.069,1086 4.705,1087 0.096,1088 4.473,1089 0.033,1090 6.935,1091 0.243,1092 4.251,1093 0.067,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.909,1100 1.883,1101 2.022,1102 2.04,1103 1.172,1104 2.007,1105 1.897,1106 1.882,1107 1.991,1108 2.005,1109 1.097,1110 2.006,1111 1.811,1112 1.765,1113 1.847,1114 1.978,1115 1.065,1116 1.974,1117 1.646,1118 1.676,1119 1.778,1120 1.858,1121 1,1122 1.869,1123 1.558,1124 1.535,1125 1.653,1126 1.814,1127 0.783,1128 1.782,1129 1.442,1130 1.42,1131 1.478,1132 1.683,1133 0.581,1134 1.68,1135 1.358,1136 1.308,1137 1.363,1138 1.585,1139 0.553,1140 1.546,1141 1.141,1142 1.085,1143 1.317,1144 1.417,1145 0.406,1146 1.391,1147 4.575,1149 5.943,1150 3.434,1151 7.489,1152 5.82,1153 9.114,1154 7.934,1155 10.782,1161 6.122,1162 31.153,1163 -0.77,1164 1.658,1165 10.56,1166 -5.809,1170 44.786,1171 126.262,1172 291.818,1173 339.281,1174 367.811,1175 382.175,1176 384.93,1177 111.669,1178 9.252,1179 242.72,1180 251.1,1181 33,1182 13.201,1183 4.954,1184 4.129,1185 64.008,1186 243,1187 250,1188 0.125,1189 272.412,1190 465.91,1191 656.445,1192 175057,1194 30.302,1195 0.705,1196 0.528,1197 30.552,1198 22.683,1199 20.609,1200 0.429,1201 0.292,1202 12.424,1203 18.691,1204 12.218,1205 9.997,1206 21.463,1207 14.012,1208 19.697,1209 0.277,1210 0.151,1211 21.006,1212 10.729,1213 16.759,1214 0.175,1215 0.078,1216 17.607,1217 7.451,1218 14.151,1219 0.111,1220 0.04,1221 15.002,1222 5.144,1223 10.683,1224 0.068,1225 0.022,1226 11.432,1227 3.361,1228 0.2,1229 141.13,1230 0.178,1231 38.388,1232 0.331,1233 238,1234 869.148,1235 311.018,1236 838.495,1237 1129.8,1238 774,1239 286,1240 807.85,1241 372.699,1242 840.373,1243 1241.59,1244 788,1245 8.491}
{0 CHEMBL611777,1 1.862,2 15.9,3 0.74,4 0.547,5 137.284,6 9.139,7 0.5,8 4.286,9 4.364,10 4.11,11 3.776,12 5.54,13 3.81,14 4.799,15 4.9,16 4.433,17 4.149,18 6.268,19 4.178,20 5.048,21 5.189,22 4.508,23 4.245,24 6.43,25 4.256,26 5.09,27 5.248,28 4.502,29 4.19,30 6.61,31 4.203,32 5.016,33 5.176,34 4.497,35 4.155,36 6.41,37 4.162,38 5.001,39 5.132,40 4.504,41 4.124,42 6.607,43 4.164,44 4.991,45 5.134,46 4.375,47 4.1,48 6.527,49 4.127,50 4.915,51 5.069,52 4.306,53 4.106,54 6.323,55 4.104,56 0.377,57 0.967,58 11.899,59 5.426,60 58.328,61 4.934,62 1.046,63 1.486,64 18.53,65 8.839,66 111.902,67 8.801,68 1.438,69 1.751,70 31.383,71 11.838,72 166.347,73 12.177,74 1.769,75 1.752,76 34.697,77 11.492,78 234.366,79 11.791,80 1.499,81 1.668,82 34.998,83 11.031,84 172.458,85 10.933,86 1.598,87 1.626,88 35.414,89 10.625,90 233.716,91 10,92 1.645,93 1.584,94 30.023,95 9.702,96 213.111,97 9.175,98 1.109,99 1.558,100 26.201,101 9.547,102 159.889,103 9.975,104 50,105 64,106 0.293,107 0.677,108 0.792,109 0.872,110 0.901,111 0.901,112 3.717,113 0.894,114 -3.65,115 -3.62,116 -3.45,119 40.3,125 1,127 3,128 1,133 2,134 9,135 2,136 1,138 1,139 1,141 1,147 1,149 1,150 1,152 1,153 1,154 1,157 12,159 7,160 3,162 1,163 5,165 3,166 13,168 3,169 3,170 1,171 4,172 1,173 3,175 9,177 6,178 8,180 2,181 5,182 1,183 4,185 3,186 1,187 3,188 10,190 4,192 2,194 1,195 1,197 1,198 13,200 1,201 8,202 1,203 1,208 1,211 5,212 10,215 4,216 2,217 3,219 1,221 2,224 6,227 2,228 1,229 5,231 1,233 2,234 6,235 9,237 1,238 5,240 5,244 1,246 3492,247 26.499,248 26.499,249 26.499,250 26.499,251 26.499,252 23.181,253 25.107,254 15.301,255 27.014,256 21.668,257 21.668,258 21.668,259 21.668,260 21.668,261 16.562,262 26.674,263 7.258,264 22.641,265 4.092,266 1.65,267 0.918,268 0.413,269 0.226,270 0.226,271 4.415,276 1378,277 4.472,280 217.261,281 418.537,282 181.79,284 2.61,285 77.367,286 0.25,287 0.5,288 0.5,289 0.1,291 0.33,292 0.5,293 0.31,294 91,295 636,296 4.705,297 4.473,298 6.932,299 4.248,300 3.313,301 4.617,302 1.579,303 11.649,304 3.209,305 4.67,306 3.588,307 6.764,308 4.213,309 3.234,310 4.489,311 1.041,312 11.104,313 3.054,314 4.278,315 3.552,316 6.542,317 3.964,318 3.025,319 3.899,320 0.98,321 10.181,322 2.86,323 4.213,324 3.212,325 6.341,326 3.872,327 2.882,328 3.666,330 9.48,331 2.82,332 4.115,333 2.959,334 5.906,335 3.545,336 2.557,337 3.37,339 8.026,340 2.535,341 3.749,342 2.7,343 5.401,344 3.359,345 2.426,346 3.106,347 7.102,348 2.25,349 3.61,350 2.676,351 5.25,352 3.139,353 2.191,354 2.895,355 6.583,356 2.072,357 3.357,358 2.493,359 5.219,360 2.928,361 1.942,362 2.592,363 5.913,364 1.908,365 3.185,366 2.243,367 4.868,368 2.819,369 1.881,370 2.247,371 5.163,372 1.746,373 3.042,374 1.968,375 4.794,376 2.494,377 1.587,378 2.12,379 4.749,380 1.49,381 2.861,382 1.632,383 4.146,384 2.477,385 1.498,386 2.015,387 3.184,388 1.405,389 2.757,390 1.543,391 3.894,392 2.392,393 1.414,394 1.79,395 3.07,396 1.377,397 2.718,398 1.469,399 3.8,400 2.058,401 1.145,402 1.615,403 3.01,404 1.047,405 2.55,406 1.311,407 3.613,408 2.05,409 1.046,410 1.511,411 2.617,412 1.04,413 2.5,414 1.265,415 3.605,416 2,417 1,418 1.5,419 2.589,420 1,421 18.4,422 0.46,423 1.218,424 0.03,425 54.75,426 1.369,427 27.5,428 0.688,429 27.25,430 0.681,431 33.555,432 0.839,433 43.4,434 0.7,435 51.518,436 1.288,437 10.983,438 0.275,439 8.143,440 0.204,441 0.13,442 0.045,443 0.348,447 0.864,448 1.342,449 0.747,450 1.199,451 0.899,452 0.836,453 0.77,454 1.009,455 0.812,456 0.956,457 0.66,458 0.933,459 0.995,460 1.132,461 0.976,462 1.081,463 0.938,464 1.019,465 1.092,466 0.956,467 1.013,468 0.926,469 1.052,470 0.951,471 1.129,472 1.022,473 1.106,474 1.009,475 1.151,476 0.888,477 1.158,478 1.118,479 1.301,480 1.214,481 1.171,482 0.961,483 1.314,484 0.898,485 1.185,486 0.871,487 1.345,488 0.963,489 1.104,490 1.162,491 1.083,492 1.107,493 1.11,494 1.117,495 9,496 0.427,497 5.333,498 3.674,499 2.678,500 1.667,501 1.098,502 0.877,503 0.606,504 0.418,505 28064,506 96027,507 2.056,508 35.5,510 14,511 1,512 1,513 6,518 1.799,519 1.897,520 3.901,521 3.059,524 115.446,525 1.862,526 4.305,527 5.037,528 5.541,529 5.728,530 5.728,531 3.387,532 5.022,533 5.29,534 4.118,535 3212.33,536 9.333,537 56799.8,539 369.16,540 1.61,541 5.234,542 0.205,543 0.009,544 0.083,545 0.057,546 0.044,547 0.028,548 0.018,549 0.016,550 0.012,551 0.008,552 0.479,553 0.17,554 0.63,555 0.573,556 227.831,557 -0.111,558 -0.156,559 0.138,560 -0.081,561 -0.223,562 0.056,563 0.166,564 0.094,565 -0.031,566 -0.004,567 0.112,568 -0.066,569 0.027,570 -0.135,571 -0.012,572 -0.083,573 -0.03,574 -0.063,575 0.049,576 0.029,577 0.007,578 0.034,579 0.066,580 -0.013,581 -0.035,582 0.002,583 0.052,584 0.053,585 -0.098,586 0.071,587 0.042,588 -0.072,589 -0.119,590 -0.122,591 0.085,592 -0.047,593 -0.101,594 0.117,595 -0.218,596 0.051,597 -0.092,598 -0.084,599 -0.149,600 -0.136,601 -0.146,602 -0.14,603 -0.102,604 -0.171,605 5.592,606 5.3,607 0.65,608 55.71,609 1.038,610 1.128,611 2.421,612 5.861,613 0.684,614 3.807,615 4.174,616 4.443,617 4.71,618 4.898,619 5.011,620 5.147,621 5.318,622 5.429,623 5.513,624 9.128,625 0.681,626 566.6,627 3.807,628 5.38,629 6.24,630 7.138,631 8.015,632 8.918,633 9.805,634 10.712,635 11.605,636 12.515,637 9.7,640 1,643 1,644 1,646 3,650 2,651 10,652 3,653 5,654 1,655 22,659 1,663 1,666 62,667 26,668 2,669 44,671 66,672 25,673 17,674 3,675 9,676 1,677 5,678 6,683 3,686 3,687 2,688 18,689 5,691 3,693 1,694 3,697 1,700 22,701 13,702 6,703 15,704 1,706 1,707 6,711 0.8,712 8,714 2,715 1,717 1,721 2,722 3,724 2,730 2,731 1,732 4,733 1,739 40,740 1,742 1,743 3,744 1,745 1,746 2,747 4,750 1,752 2,754 12.9,755 2,756 1,757 3,758 2,761 21.083,762 10.65,763 8.583,764 3.239,765 4.711,766 1.544,767 0.937,768 7.807,769 13.378,770 4.111,771 4.747,772 5.298,773 5.881,774 6.39,775 6.738,776 7.196,777 7.639,778 8.014,779 8.4,780 0.909,781 65,782 15.536,783 7.541,784 8.24,785 26.857,786 22.296,787 2.74,788 109.583,789 188.338,790 159.661,791 101.558,793 217.053,795 7.511,796 152.149,797 405.391,798 101.558,800 20.997,801 211.061,802 208.853,803 12.742,804 48.16,805 164.795,807 188.338,808 253.707,809 217.053,810 7.511,812 190.666,813 112.141,814 104.912,815 35.375,816 131.587,817 91.929,819 188.338,820 318.611,821 159.661,823 7.511,824 188.338,825 24.183,826 95.804,827 50.466,828 300.307,829 188.338,830 318.611,831 159.661,833 0.595,834 0.346,835 0.182,836 0.094,837 31,838 15,839 0.091,840 6,841 1,842 1.077,843 4.921,844 400.945,845 0.077,846 26,847 206.877,848 1,849 27.65,850 11.294,851 5.995,852 0.356,853 316.712,854 15.724,855 12.66,856 0.117,857 1.309,858 177.352,859 666.609,860 60,862 -4.675,863 36.815,866 -1.128,867 64.374,868 69.907,869 0.313,870 0.723,871 0.846,872 0.931,873 0.962,874 0.962,875 5.382,876 1.942,877 6.267,878 6.583,879 4.86,880 5.436,881 2.31,882 7.128,883 4.77,884 6.632,885 1.881,886 7.866,887 5.913,888 4.635,889 5.44,891 8.244,892 4.515,893 7.982,894 1.587,895 9.569,896 5.163,897 6.541,898 7.731,899 2.87,900 11.299,901 6.37,902 9.368,903 1.498,904 11.333,905 4.749,906 7.116,907 8.553,909 13.202,910 6.908,911 10.786,912 1.414,913 13.134,914 3.184,915 8.536,916 10.361,917 3.593,918 15.824,919 8.286,920 12.227,921 1.145,922 14.961,923 3.07,924 9.448,925 11.545,927 18.029,928 9.157,929 13.686,930 1.046,931 16.806,932 3.01,933 10.698,934 13.17,935 4.417,936 20.515,937 10.367,938 3.313,939 1,940 18.665,941 2.617,942 11.754,943 14.524,945 22.841,946 11.38,947 3.234,948 11.649,949 20.533,950 2.589,951 12.945,952 16.076,953 5.291,954 25.283,955 12.531,956 3.025,957 11.104,958 22.41,959 4.617,960 14.063,961 17.511,963 27.662,964 13.607,965 2.882,966 10.181,967 24.293,968 4.489,969 15.235,970 19.035,971 6.188,972 30.091,973 14.739,974 2.557,975 9.48,976 26.181,977 3.899,978 16.382,979 20.509,981 32.495,982 15.844,983 2.426,984 8.026,985 28.073,986 3.666,987 17.551,988 22.024,989 7.095,990 34.922,991 16.974,992 2.191,993 7.102,994 29.969,995 3.37,996 18.711,997 23.519,999 37.339,1000 18.094,1001 26417,1002 49150,1003 28.838,1004 42.409,1005 68.353,1006 69.607,1007 69.081,1008 66.689,1009 66.662,1010 88.706,1011 7.2,1012 199.182,1013 63.582,1014 5.683,1015 6.473,1016 6.733,1017 5.365,1018 5.313,1019 7.617,1020 3.158,1021 19.364,1022 5.209,1023 22.794,1024 1.553,1025 1.582,1026 1.57,1027 1.516,1028 1.515,1029 2.016,1030 0.164,1031 4.527,1032 1.445,1033 4.12,1034 4.166,1035 4.71,1036 3.949,1037 7.725,1038 3.973,1039 3.988,1040 3.977,1041 4.095,1042 3.882,1043 7.428,1044 3.864,1045 3.898,1046 3.924,1047 3.858,1048 3.833,1049 6.999,1050 3.833,1051 3.853,1052 3.848,1053 3.833,1054 3.763,1055 6.495,1056 3.691,1057 3.755,1058 3.743,1059 3.715,1060 3.585,1061 6.468,1062 3.575,1063 3.412,1064 3.465,1065 3.374,1066 3.286,1067 6.4,1068 3.299,1069 3.226,1070 3.269,1071 3.174,1072 3.024,1073 5.278,1074 3.046,1075 3.17,1076 3.213,1077 3.111,1078 2.968,1079 4.904,1080 2.984,1081 0.107,1082 0.102,1083 0.158,1084 0.097,1085 0.075,1086 4.705,1087 0.105,1088 4.473,1089 0.036,1090 6.932,1091 0.265,1092 4.248,1093 0.073,1094 3.313,1095 4.617,1096 1.579,1097 11.649,1098 3.209,1099 1.917,1100 1.892,1101 2.021,1102 2.027,1103 1.172,1104 2.009,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.065,1110 2.006,1111 1.796,1112 1.755,1113 1.842,1114 1.951,1115 1.06,1116 1.942,1117 1.646,1118 1.676,1119 1.776,1120 1.858,1121 0.997,1122 1.869,1123 1.557,1124 1.534,1125 1.651,1126 1.804,1127 0.761,1128 1.775,1129 1.441,1130 1.42,1131 1.373,1132 1.683,1133 0.569,1134 1.679,1135 1.26,1136 1.237,1137 1.337,1138 1.436,1139 0.406,1140 1.411,1141 1.108,1142 1.069,1143 1.297,1144 1.326,1145 0.249,1146 1.318,1147 4.489,1149 5.844,1150 3.045,1151 7.378,1152 5.476,1153 8.993,1154 7.627,1155 10.652,1161 6.03,1162 30.949,1163 -0.754,1164 1.655,1165 10.499,1166 -5.704,1169 5.732,1170 42.248,1171 115.446,1172 266.882,1173 312.266,1174 343.551,1175 355.16,1176 355.16,1177 110.895,1178 8.667,1179 212.01,1180 220.39,1181 28,1182 13.034,1183 4.755,1184 4.087,1185 64.044,1186 217,1187 227,1188 0.14,1189 259.422,1190 456.17,1191 624.751,1192 86686,1194 28.441,1195 0.711,1196 0.532,1197 28.691,1198 21.264,1199 19.126,1200 0.435,1201 0.298,1202 11.58,1203 17.423,1204 11.351,1205 9.304,1206 19.979,1207 13.118,1208 18.153,1209 0.284,1210 0.156,1211 19.462,1212 9.954,1213 15.031,1214 0.179,1215 0.081,1216 15.879,1217 6.788,1218 12.518,1219 0.114,1220 0.042,1221 13.368,1222 4.656,1223 9.448,1224 0.071,1225 0.023,1226 10.196,1227 3.047,1228 0.225,1229 130.748,1230 0.186,1231 36.313,1232 0.371,1233 216,1234 790.213,1235 282.996,1236 765.971,1237 1023.29,1238 706,1239 256,1240 711.687,1241 335.094,1242 749.847,1243 1105.55,1244 703,1245 9.398}
{0 CHEMBL611780,1 1.94,2 16.651,3 -0.394,4 0.155,5 147.203,6 9.394,7 0.563,8 4.359,9 4.447,10 4.197,11 3.797,12 5.626,13 3.852,14 4.874,15 4.984,16 4.536,17 4.188,18 6.33,19 4.239,20 5.108,21 5.251,22 4.607,23 4.28,24 6.492,25 4.313,26 5.181,27 5.345,28 4.63,29 4.249,30 6.69,31 4.287,32 5.131,33 5.304,34 4.615,35 4.221,36 6.499,37 4.248,38 5.101,39 5.247,40 4.608,41 4.183,42 6.677,43 4.238,44 5.094,45 5.256,46 4.47,47 4.138,48 6.595,49 4.18,50 4.979,51 5.135,52 4.414,53 4.12,54 6.384,55 4.146,56 0.472,57 1.098,58 11.605,59 5.234,60 61.198,61 4.768,62 1.193,63 1.658,64 18.526,65 8.556,66 117.013,67 8.466,68 1.631,69 1.877,70 30.891,71 11.249,72 173.229,73 11.622,74 2.01,75 1.903,76 35.587,77 11.04,78 243.103,79 11.545,80 1.783,81 1.838,82 37.511,83 10.771,84 183.825,85 11.051,86 1.833,87 1.76,88 37.339,89 10.361,90 242.779,91 10.216,92 1.942,93 1.68,94 33.031,95 9.473,96 227.545,97 9.445,98 1.385,99 1.603,100 27.21,101 9.011,102 170.947,103 9.605,104 50,105 71,106 0.301,107 0.71,108 0.849,109 0.907,110 0.922,111 0.922,112 3.788,113 0.866,114 -2.9,115 -2.9,116 -2.81,119 36.9,125 1,127 3,128 1,134 6,135 2,136 1,137 2,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 6,159 10,160 4,162 1,163 5,165 3,166 5,168 5,169 5,170 1,171 4,172 1,173 3,175 2,177 10,178 8,180 3,181 6,182 1,183 3,187 7,188 8,189 1,190 5,192 1,197 4,198 8,200 2,201 9,202 1,211 9,212 7,215 5,216 2,217 1,219 1,221 1,223 1,224 3,227 4,228 1,229 2,231 1,233 1,234 8,235 6,237 2,238 8,240 3,244 1,246 4201,247 28.654,248 28.654,249 28.654,250 28.654,251 28.654,252 25.051,253 27.042,254 16.396,255 29.33,256 23.644,257 23.644,258 23.644,259 23.644,260 23.644,261 18.129,262 30.961,263 7.763,264 24.877,265 4.083,266 1.454,267 0.558,268 0.185,269 0.092,270 0.092,271 4.493,276 1575,277 4.359,280 350.931,281 441.728,282 192.619,284 2.729,285 83.645,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 99,295 716,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.339,315 3.552,316 6.557,317 4.004,318 3.066,319 4.007,320 0.98,321 10.256,322 2.881,323 4.278,324 3.212,325 6.341,326 3.89,327 2.924,328 3.899,330 9.493,331 2.854,332 4.152,333 2.982,334 6.269,335 3.869,336 2.881,337 3.504,339 9.474,340 2.799,341 3.933,342 2.696,343 5.996,344 3.534,345 2.592,346 3.283,347 8.523,348 2.436,349 3.648,350 2.676,351 5.861,352 3.289,353 2.357,354 2.925,355 7.86,356 2.188,357 3.366,358 2.534,359 5.246,360 2.928,361 1.943,362 2.765,363 5.917,364 1.908,365 3.357,366 2.244,367 4.868,368 2.839,369 1.891,370 2.592,371 5.163,372 1.787,373 3.043,374 1.969,375 4.794,376 2.816,377 1.877,378 2.143,379 5.035,380 1.745,381 2.926,382 1.898,383 4.674,384 2.478,385 1.587,386 2.097,387 4.749,388 1.407,389 2.861,390 1.543,391 4.192,392 2.402,393 1.456,394 2.015,395 3.672,396 1.377,397 2.741,398 1.469,399 4.136,400 2.392,401 1.414,402 1.778,403 3.07,404 1.374,405 2.564,406 1.459,407 3.894,408 2.053,409 1.129,410 1.587,411 2.99,412 1.046,413 2.549,414 1.311,415 3.67,416 2.048,417 1.046,418 1.511,419 2.617,420 1.036,421 19.5,422 0.453,423 1.321,424 0.031,425 60,426 1.395,427 29.5,428 0.686,429 30.5,430 0.709,431 36.444,432 0.848,433 47.1,434 0.725,435 57.452,436 1.336,437 11.99,438 0.279,439 8.619,440 0.2,441 0.123,442 0.043,443 0.374,447 0.867,448 1.425,449 0.721,450 1.26,451 0.887,452 0.857,453 0.795,454 1.028,455 0.794,456 0.952,457 0.67,458 0.908,459 1.02,460 1.208,461 0.98,462 1.137,463 0.945,464 1.054,465 1.084,466 0.976,467 1.008,468 0.943,469 1.031,470 0.966,471 1.113,472 0.971,473 1.1,474 0.984,475 1.101,476 0.886,477 1.121,478 1.118,479 1.274,480 1.216,481 1.124,482 0.98,483 1.273,484 0.816,485 1.176,486 0.825,487 1.302,488 0.944,489 1.138,490 1.158,491 1.05,492 1.082,493 1.122,494 1.069,495 9.5,496 0.437,497 6.222,498 3.799,499 2.858,500 2.014,501 1.193,502 0.807,503 0.73,504 0.508,505 34821,506 122401,507 2.091,508 33.8,510 11,511 2,512 3,513 6,518 1.816,519 1.933,520 3.975,521 3.055,524 126.088,525 1.94,526 4.568,527 5.464,528 5.838,529 5.93,530 5.93,531 3.485,532 5.194,533 5.394,534 4.181,535 3775.27,536 9.541,537 69889.7,539 391.454,540 1.596,541 5.342,542 0.198,543 0.008,544 0.088,545 0.053,546 0.041,547 0.03,548 0.017,549 0.013,550 0.013,551 0.009,552 0.469,553 0.17,554 0.63,555 0.553,556 249.788,557 -0.111,558 -0.185,559 0.136,560 -0.119,561 -0.214,562 0.032,563 0.123,564 0.107,565 -0.031,566 0.014,567 0.095,568 -0.043,569 -0.014,570 -0.196,571 -0.032,572 -0.126,573 -0.039,574 -0.096,575 0.016,576 0.002,577 -0.005,578 0.007,579 0.056,580 -0.031,581 -0.063,582 0.033,583 0.038,584 0.059,585 -0.09,586 0.076,587 0.018,588 -0.095,589 -0.117,590 -0.13,591 0.087,592 -0.053,593 -0.1,594 0.155,595 -0.192,596 0.088,597 -0.092,598 -0.043,599 -0.136,600 -0.155,601 -0.099,602 -0.102,603 -0.09,604 -0.113,605 5.616,606 5.359,607 0.721,608 61.43,609 1.046,610 1.14,611 1.668,612 2.782,613 0.676,614 3.892,615 4.277,616 4.575,617 4.86,618 5.056,619 5.215,620 5.38,621 5.565,622 5.71,623 5.849,624 9.504,625 0.681,626 610.63,627 3.892,628 5.476,629 6.351,630 7.258,631 8.148,632 9.058,633 9.956,634 10.869,635 11.772,636 12.687,637 15.4,640 1,643 1,644 2,646 6,650 2,651 10,652 6,653 6,654 2,655 27,659 1,663 1,666 65,667 30,668 1,669 48,671 70,672 24,673 18,674 2,675 4,676 1,677 6,678 7,683 3,686 3,688 19,689 5,691 3,693 1,694 3,697 1,700 22,701 16,702 6,703 19,704 1,706 1,707 10,711 0.833,712 8,714 2,715 1,716 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 43,740 1,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 12.3,755 2,756 1,757 3,758 2,761 22.25,762 11.2,763 9.139,764 3.355,765 4.794,766 1.518,767 0.948,768 7.696,769 14.046,770 4.182,771 4.84,772 5.406,773 6.012,774 6.492,775 6.881,776 7.342,777 7.805,778 8.184,779 8.594,780 1,781 72,782 16.656,783 8.132,784 8.227,785 28.806,786 24.117,787 2.727,788 117.25,789 188.338,790 126.641,791 153.323,793 217.053,795 7.511,796 119.13,797 405.391,798 153.323,800 20.997,801 191.68,802 282.384,803 33.043,804 27.769,805 129.482,807 188.338,808 272.453,809 217.053,810 7.511,812 188.338,813 112.141,814 104.912,815 59.902,816 112.206,817 107.857,819 188.338,820 370.377,821 126.641,823 7.511,824 188.338,825 26.511,826 96.294,827 16.405,828 350.296,829 188.338,830 370.377,831 126.641,833 0.599,834 0.354,835 0.188,836 0.097,837 36,838 17,839 0.114,840 8,841 1,842 1.065,843 5.142,844 456.225,845 0.065,846 31,847 231.329,848 1,849 28.878,850 11.46,851 5.742,852 0.275,853 366.701,854 14.903,855 25.043,856 0.473,857 2.569,858 177.352,859 685.355,860 64.5,862 -4.699,863 36.979,866 -1.137,867 68.014,868 74.069,869 0.322,870 0.759,871 0.907,872 0.969,873 0.985,874 0.985,875 5.454,876 1.943,877 6.382,878 7.86,879 4.963,880 5.529,881 2.31,882 7.259,883 4.861,884 6.7,885 1.891,886 7.99,887 5.917,888 4.745,889 5.551,891 8.377,892 4.616,893 8.048,894 1.877,895 9.701,896 5.163,897 6.658,898 7.825,899 2.87,900 11.443,901 6.469,902 9.435,903 1.587,904 11.47,905 5.035,906 7.245,907 8.671,909 13.339,910 7.026,911 10.855,912 1.456,913 13.276,914 4.749,915 8.665,916 10.456,917 3.593,918 15.959,919 8.395,920 12.298,921 1.414,922 15.105,923 3.672,924 9.582,925 11.656,927 18.149,928 9.277,929 13.758,930 1.129,931 16.951,932 3.07,933 10.83,934 13.263,935 4.417,936 20.627,937 10.479,938 3.319,939 1.046,940 18.808,941 2.99,942 11.886,943 14.624,945 22.94,946 11.497,947 3.235,948 11.665,949 20.674,950 2.617,951 13.073,952 16.163,953 5.291,954 25.373,955 12.641,956 3.066,957 11.105,958 22.547,959 4.625,960 14.189,961 17.599,963 27.741,964 13.717,965 2.924,966 10.256,967 24.426,968 4.489,969 15.357,970 19.114,971 6.188,972 30.162,973 14.843,974 2.881,975 9.493,976 26.309,977 4.007,978 16.5,979 20.586,981 32.559,982 15.945,983 2.592,984 9.474,985 28.196,986 3.899,987 17.664,988 22.095,989 7.095,990 34.979,991 17.069,992 2.357,993 8.523,994 30.086,995 3.504,996 18.82,997 23.586,999 37.391,1000 18.185,1001 32260,1002 60742,1003 31.728,1004 43.909,1005 74.346,1006 76.304,1007 76.065,1008 73.615,1009 73.607,1010 97.515,1011 7.2,1012 223.422,1013 69.755,1014 5.683,1015 6.473,1016 6.737,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 23.939,1024 1.549,1025 1.59,1026 1.585,1027 1.534,1028 1.533,1029 2.032,1030 0.15,1031 4.655,1032 1.453,1033 4.137,1034 4.189,1035 4.71,1036 3.944,1037 7.725,1038 3.974,1039 3.989,1040 3.995,1041 4.114,1042 3.88,1043 7.428,1044 3.864,1045 3.946,1046 3.977,1047 3.911,1048 3.808,1049 6.999,1050 3.823,1051 3.853,1052 3.852,1053 3.855,1054 3.763,1055 6.495,1056 3.691,1057 3.765,1058 3.768,1059 3.727,1060 3.587,1061 6.468,1062 3.58,1063 3.659,1064 3.709,1065 3.612,1066 3.434,1067 6.4,1068 3.471,1069 3.301,1070 3.381,1071 3.231,1072 3.061,1073 5.29,1074 3.091,1075 3.2,1076 3.224,1077 3.17,1078 2.981,1079 5.085,1080 3.004,1081 0.098,1082 0.093,1083 0.144,1084 0.089,1085 0.069,1086 4.705,1087 0.096,1088 4.473,1089 0.033,1090 6.935,1091 0.243,1092 4.251,1093 0.067,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.04,1103 1.172,1104 2.006,1105 1.856,1106 1.821,1107 1.952,1108 2.005,1109 1.065,1110 1.994,1111 1.805,1112 1.76,1113 1.846,1114 1.962,1115 1.011,1116 1.954,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 0.991,1122 1.869,1123 1.558,1124 1.534,1125 1.653,1126 1.814,1127 0.779,1128 1.782,1129 1.442,1130 1.42,1131 1.464,1132 1.683,1133 0.574,1134 1.68,1135 1.342,1136 1.287,1137 1.363,1138 1.584,1139 0.53,1140 1.541,1141 1.135,1142 1.082,1143 1.316,1144 1.413,1145 0.405,1146 1.388,1147 4.575,1149 5.943,1150 3.434,1151 7.489,1152 5.82,1153 9.114,1154 7.934,1155 10.782,1161 6.112,1162 31.14,1163 -0.775,1164 1.655,1165 10.549,1166 -5.837,1170 44.28,1171 126.088,1172 296.95,1173 355.189,1174 379.454,1175 385.454,1176 385.454,1177 111.866,1178 9.252,1179 255.61,1180 263.99,1181 33,1182 13.201,1183 4.954,1184 4.129,1185 64.008,1186 243,1187 250,1188 0.125,1189 269.614,1190 459.61,1191 649.618,1192 175057,1194 30.302,1195 0.705,1196 0.524,1197 30.552,1198 22.553,1199 20.609,1200 0.429,1201 0.289,1202 12.257,1203 18.617,1204 12.063,1205 9.863,1206 21.463,1207 13.862,1208 19.697,1209 0.277,1210 0.149,1211 21.006,1212 10.604,1213 16.759,1214 0.175,1215 0.076,1216 17.607,1217 7.339,1218 14.151,1219 0.111,1220 0.039,1221 15.002,1222 5.049,1223 10.683,1224 0.068,1225 0.021,1226 11.432,1227 3.285,1228 0.2,1229 141.63,1230 0.178,1231 38.388,1232 0.331,1233 238,1234 888.793,1235 312.406,1236 855.735,1237 1151.2,1238 790,1239 286,1240 821.963,1241 374.198,1242 854.014,1243 1260.15,1244 800,1245 9.066}
{0 CHEMBL611782,1 1.929,2 17.295,3 0.489,4 0.239,5 151.054,6 9.338,7 0.551,8 4.387,9 4.471,10 4.213,11 3.827,12 5.663,13 3.881,14 4.896,15 5,16 4.561,17 4.222,18 6.362,19 4.271,20 5.147,21 5.286,22 4.633,23 4.319,24 6.542,25 4.351,26 5.22,27 5.384,28 4.644,29 4.288,30 6.717,31 4.32,32 5.163,33 5.34,34 4.626,35 4.252,36 6.514,37 4.274,38 5.129,39 5.275,40 4.636,41 4.205,42 6.713,43 4.263,44 5.117,45 5.273,46 4.503,47 4.163,48 6.636,49 4.208,50 5.015,51 5.176,52 4.429,53 4.15,54 6.409,55 4.174,56 0.51,57 1.104,58 12.243,59 5.553,60 69.072,61 5.007,62 1.206,63 1.683,64 18.907,65 9.146,66 119.486,67 9.056,68 1.716,69 1.934,70 32.292,71 11.94,72 187.743,73 12.265,74 2.093,75 1.975,76 37.468,77 11.749,78 257.928,79 12.419,80 1.826,81 1.9,82 39.477,83 11.264,84 193.593,85 11.944,86 1.9,87 1.817,88 38.611,89 10.578,90 251.811,91 10.574,92 2.009,93 1.728,94 33.512,95 9.632,96 237.054,97 9.637,98 1.449,99 1.661,100 28.907,101 9.275,102 180.032,103 10.009,104 65,105 73,106 0.298,107 0.696,108 0.813,109 0.873,110 0.899,111 0.906,112 3.81,113 0.866,114 -3.11,115 -3.1,116 -2.98,119 37.3,125 1,127 3,128 1,134 8,135 2,136 2,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 8,159 10,160 2,162 1,163 5,165 5,166 8,168 5,169 5,170 1,171 4,172 1,173 5,175 4,177 9,178 11,180 3,181 6,182 1,183 4,187 5,188 10,189 1,190 5,192 1,197 4,198 10,200 2,201 10,202 1,211 7,212 9,215 7,216 2,217 1,219 1,221 1,223 1,224 4,227 4,228 1,229 3,231 1,233 2,234 7,235 8,237 1,238 9,240 4,244 2,246 4502,247 29.101,248 29.101,249 29.101,250 29.101,251 29.101,252 25.474,253 29.199,254 16.482,255 29.754,256 24.11,257 24.11,258 24.11,259 24.11,260 24.11,261 18.534,262 32.124,263 7.799,264 25.33,265 4.137,266 1.567,267 0.81,268 0.422,269 0.25,270 0.209,271 4.513,276 1667,277 4.416,280 362.18,281 454.065,282 198.834,284 2.854,285 88.546,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 101.5,295 761,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.347,315 3.552,316 6.557,317 4.006,318 3.067,319 4.021,320 0.98,321 10.256,322 2.89,323 4.278,324 3.212,325 6.341,326 3.898,327 2.932,328 3.899,330 9.497,331 2.856,332 4.157,333 2.991,334 6.271,335 3.871,336 2.882,337 3.582,339 9.476,340 2.806,341 3.98,342 2.753,343 6,344 3.569,345 2.623,346 3.316,347 8.538,348 2.475,349 3.687,350 2.677,351 5.862,352 3.309,353 2.376,354 3.043,355 7.862,356 2.208,357 3.596,358 2.577,359 5.246,360 3.197,361 2.25,362 2.9,363 6.104,364 2.122,365 3.357,366 2.443,367 5.048,368 2.928,369 1.942,370 2.592,371 5.916,372 1.908,373 3.142,374 2.243,375 4.868,376 2.82,377 1.882,378 2.431,379 5.163,380 1.747,381 3.042,382 1.969,383 4.794,384 2.622,385 1.674,386 2.121,387 4.786,388 1.581,389 2.861,390 1.714,391 4.602,392 2.477,393 1.586,394 2.015,395 4.743,396 1.405,397 2.749,398 1.543,399 4.15,400 2.392,401 1.414,402 1.797,403 3.281,404 1.377,405 2.628,406 1.469,407 4.083,408 2.119,409 1.196,410 1.67,411 3.07,412 1.101,413 2.55,414 1.311,415 3.894,416 2.051,417 1.046,418 1.511,419 2.959,420 1.045,421 19.933,422 0.453,423 1.427,424 0.032,425 60.75,426 1.381,427 30,428 0.682,429 30.75,430 0.699,431 37.895,432 0.861,433 48.467,434 0.723,435 59.434,436 1.351,437 12.15,438 0.276,439 8.853,440 0.201,441 0.137,442 0.042,443 0.391,447 0.891,448 1.355,449 0.735,450 1.215,451 0.919,452 0.837,453 0.763,454 1.037,455 0.775,456 0.981,457 0.65,458 0.924,459 1.02,460 1.2,461 0.987,462 1.132,463 0.946,464 1.061,465 1.061,466 1.004,467 1.015,468 0.953,469 1.006,470 0.987,471 1.058,472 1.028,473 1.073,474 0.984,475 1.022,476 0.884,477 1.077,478 1.107,479 1.249,480 1.181,481 1.059,482 0.953,483 1.239,484 0.885,485 1.172,486 0.84,487 1.266,488 0.954,489 1.104,490 1.104,491 1.055,492 1.028,493 1.057,494 1.034,495 10.5,496 0.47,497 6.667,498 3.861,499 3.049,500 2.125,501 1.258,502 0.872,503 0.78,504 0.53,505 37060,506 131894,507 2.076,508 34.3,510 13,511 2,512 1,513 7,518 1.821,519 1.906,520 4.02,521 3.816,524 129.231,525 1.929,526 4.499,527 5.256,528 5.644,529 5.816,530 5.857,531 3.508,532 5.232,533 5.427,534 4.224,535 3995.53,536 9.606,537 75509.5,539 406.428,540 1.625,541 5.369,542 0.214,543 0.009,544 0.091,545 0.052,546 0.043,547 0.031,548 0.018,549 0.014,550 0.013,551 0.009,552 0.494,553 0.17,554 0.5,555 0.571,556 257.669,557 -0.127,558 -0.119,559 0.121,560 -0.072,561 -0.226,562 0.057,563 0.128,564 0.106,565 -0.019,566 -0.003,567 0.097,568 -0.05,569 -0.029,570 -0.181,571 -0.047,572 -0.123,573 -0.051,574 -0.104,576 -0.017,577 -0.017,578 -0.004,579 0.03,580 -0.045,581 -0.06,582 -0.013,583 0.061,584 0.052,585 -0.077,586 0.091,587 0.026,588 -0.063,589 -0.1,590 -0.113,591 0.091,592 -0.035,593 -0.091,594 0.111,595 -0.2,596 0.066,597 -0.098,598 -0.067,599 -0.143,600 -0.083,601 -0.104,602 -0.064,603 -0.091,604 -0.083,605 5.627,606 5.366,607 0.705,608 65.316,609 1.047,610 1.137,611 1.876,612 3.518,613 0.673,614 3.912,615 4.304,616 4.595,617 4.875,618 5.081,619 5.247,620 5.398,621 5.587,622 5.743,623 5.872,624 9.751,625 0.679,626 625.64,627 3.912,628 5.501,629 6.375,630 7.283,631 8.172,632 9.083,633 9.98,634 10.893,635 11.795,636 12.71,637 13.4,640 1,643 1,644 2,646 5,650 2,651 10,652 5,653 7,654 2,655 27,659 1,663 2,666 67,667 30,668 2,669 49,671 72,672 25,673 19,674 4,675 8,676 1,677 6,678 7,683 3,686 3,688 20,689 5,691 3,693 1,694 3,697 1,700 23,701 16,702 7,703 19,704 1,706 1,707 9,711 0.833,712 9,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 44,740 1,742 1,743 4,744 1,745 1,746 2,747 4,751 1,754 13.4,755 2,756 2,757 3,758 2,761 23.083,762 11.45,763 9.306,764 3.438,765 4.835,766 1.517,767 0.936,768 7.95,769 14.181,770 4.197,771 4.864,772 5.426,773 6.028,774 6.517,775 6.917,776 7.362,777 7.829,778 8.222,779 8.619,780 0.917,781 74,782 17.049,783 8.351,784 8.271,785 29.411,786 24.712,787 2.771,788 121.917,789 188.338,790 127.499,791 136.538,793 259.737,795 7.511,796 119.987,797 448.074,798 136.538,800 20.997,801 210.633,802 284.74,803 14.948,804 27.769,805 153.024,807 188.338,808 256.525,809 259.737,810 7.511,812 188.338,813 154.825,814 104.912,815 41.807,816 131.158,817 91.071,819 188.338,820 396.274,821 127.499,823 7.511,824 188.338,825 26.511,826 97.152,827 16.405,828 376.194,829 188.338,830 396.274,831 127.499,833 0.602,834 0.354,835 0.185,836 0.096,837 37,838 18,839 0.111,840 8,841 1,842 1.065,843 5.2,844 469.747,845 0.065,846 31,847 234.215,848 1,849 29.858,850 11.715,851 5.978,852 0.238,853 392.599,854 14.35,855 20.938,856 0.414,857 2.526,858 220.036,859 712.111,860 65.5,862 -4.71,863 36.999,866 -1.144,867 70.124,868 76.196,869 0.318,870 0.742,871 0.866,872 0.93,873 0.959,874 0.966,875 5.475,876 2.25,877 6.412,878 7.862,879 4.99,880 5.553,881 2.31,882 7.288,883 4.891,884 6.726,885 1.942,886 8.021,887 6.104,888 4.796,889 5.602,891 8.401,892 4.663,893 8.078,894 1.882,895 9.731,896 5.916,897 6.688,898 7.854,899 2.87,900 11.461,901 6.503,902 9.467,903 1.674,904 11.497,905 5.163,906 7.28,907 8.708,909 13.349,910 7.059,911 10.887,912 1.586,913 13.299,914 4.786,915 8.69,916 10.482,917 3.593,918 15.967,919 8.425,920 12.328,921 1.414,922 15.125,923 4.743,924 9.606,925 11.683,927 18.153,928 9.301,929 13.787,930 1.196,931 16.967,932 3.281,933 10.849,934 13.284,935 4.417,936 20.631,937 10.503,938 3.319,939 1.046,940 18.821,941 3.07,942 11.903,943 14.643,945 22.942,946 11.516,947 3.235,948 11.665,949 20.685,950 2.959,951 13.087,952 16.179,953 5.291,954 25.374,955 12.66,956 3.067,957 11.105,958 22.556,959 4.625,960 14.201,961 17.613,963 27.742,964 13.732,965 2.932,966 10.256,967 24.432,968 4.489,969 15.367,970 19.126,971 6.188,972 30.163,973 14.858,974 2.882,975 9.497,976 26.314,977 4.021,978 16.508,979 20.597,981 32.559,982 15.959,983 2.623,984 9.476,985 28.2,986 3.899,987 17.672,988 22.104,989 7.095,990 34.98,991 17.082,992 2.376,993 8.538,994 30.09,995 3.582,996 18.827,997 23.594,999 37.392,1000 18.197,1001 34464,1002 65267,1003 32.134,1004 45.119,1005 75.956,1006 77.954,1007 78.377,1008 75.233,1009 75.183,1010 99.252,1011 7.2,1012 229.59,1013 71.35,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 26.318,1024 1.55,1025 1.591,1026 1.6,1027 1.535,1028 1.534,1029 2.026,1030 0.147,1031 4.686,1032 1.456,1033 4.138,1034 4.19,1035 4.71,1036 3.952,1037 7.725,1038 3.979,1039 3.989,1040 4.002,1041 4.115,1042 3.882,1043 7.428,1044 3.867,1045 3.963,1046 3.977,1047 3.925,1048 3.853,1049 6.999,1050 3.861,1051 3.855,1052 3.855,1053 3.855,1054 3.764,1055 6.496,1056 3.692,1057 3.773,1058 3.777,1059 3.737,1060 3.59,1061 6.471,1062 3.586,1063 3.68,1064 3.715,1065 3.637,1066 3.464,1067 6.467,1068 3.5,1069 3.304,1070 3.382,1071 3.236,1072 3.064,1073 6.4,1074 3.094,1075 3.201,1076 3.224,1077 3.17,1078 2.982,1079 5.288,1080 3.005,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.251,1093 0.065,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.901,1100 1.883,1101 1.997,1102 2.04,1103 1.172,1104 2.006,1105 1.897,1106 1.88,1107 1.991,1108 2.005,1109 1.089,1110 2.002,1111 1.811,1112 1.765,1113 1.847,1114 1.978,1115 1.065,1116 1.97,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 1,1122 1.869,1123 1.558,1124 1.535,1125 1.653,1126 1.814,1127 0.782,1128 1.782,1129 1.442,1130 1.42,1131 1.466,1132 1.683,1133 0.577,1134 1.68,1135 1.355,1136 1.309,1137 1.363,1138 1.586,1139 0.542,1140 1.545,1141 1.139,1142 1.085,1143 1.316,1144 1.425,1145 0.405,1146 1.391,1147 4.595,1149 5.969,1150 3.434,1151 7.517,1152 5.82,1153 9.142,1154 7.934,1155 10.81,1161 6.111,1162 40.683,1163 -0.786,1164 1.65,1165 10.542,1166 -5.895,1170 45.5,1171 129.231,1172 301.434,1173 352.163,1174 378.163,1175 389.673,1176 392.428,1177 120.558,1178 9.346,1179 262.95,1180 271.33,1181 33,1182 13.225,1183 4.954,1184 4.129,1185 66.291,1186 255,1187 281,1188 0.123,1189 276.408,1190 474.7,1191 666.196,1192 196474,1194 31.173,1195 0.708,1196 0.524,1197 31.423,1198 23.053,1199 21.003,1200 0.429,1201 0.289,1202 12.543,1203 19.014,1204 12.344,1205 10.085,1206 21.856,1207 14.146,1208 20.319,1209 0.278,1210 0.149,1211 21.628,1212 10.909,1213 17.169,1214 0.175,1215 0.077,1216 18.017,1217 7.545,1218 14.303,1219 0.11,1220 0.04,1221 15.153,1222 5.167,1223 10.907,1224 0.068,1225 0.021,1226 11.656,1227 3.395,1228 0.198,1229 144.07,1230 0.176,1231 39.139,1232 0.326,1233 244,1234 909.298,1235 319.122,1236 874.842,1237 1173.47,1238 806,1239 293,1240 836.881,1241 381.36,1242 868.548,1243 1281.69,1244 814,1245 9.215}
{0 CHEMBL611783,1 1.94,2 16.651,3 0.034,4 0.001,5 146.831,6 9.394,7 0.563,8 4.359,9 4.447,10 4.197,11 3.797,12 5.625,13 3.852,14 4.874,15 4.983,16 4.537,17 4.184,18 6.333,19 4.236,20 5.11,21 5.256,22 4.608,23 4.271,24 6.497,25 4.307,26 5.171,27 5.333,28 4.63,29 4.243,30 6.686,31 4.283,32 5.122,33 5.291,34 4.613,35 4.225,36 6.491,37 4.251,38 5.115,39 5.267,40 4.612,41 4.185,42 6.688,43 4.239,44 5.086,45 5.245,46 4.468,47 4.132,48 6.586,49 4.176,50 4.982,51 5.142,52 4.417,53 4.114,54 6.396,55 4.142,56 0.472,57 1.098,58 11.605,59 5.234,60 61.436,61 4.768,62 1.189,63 1.659,64 18.446,65 8.548,66 115.917,67 8.49,68 1.652,69 1.875,70 31.406,71 11.146,72 175.563,73 11.543,74 1.999,75 1.889,76 34.976,77 10.933,78 242.016,79 11.296,80 1.745,81 1.83,82 36.699,83 10.784,84 181.328,85 11.038,86 1.875,87 1.777,88 38.303,89 10.444,90 245.57,91 10.361,92 1.914,93 1.668,94 32.591,95 9.389,96 225.582,97 9.397,98 1.412,99 1.606,100 27.534,101 8.911,102 172.911,103 9.443,104 50,105 71,106 0.301,107 0.705,108 0.842,109 0.905,110 0.922,111 0.922,112 3.788,113 0.867,114 -2.9,115 -2.9,116 -2.81,119 36.9,125 1,127 3,128 1,134 7,135 1,136 1,137 1,138 3,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 6,159 10,160 3,162 1,163 5,165 3,166 5,168 6,169 3,170 1,171 4,172 1,173 3,175 2,177 11,178 8,180 3,181 6,182 1,183 3,187 5,188 7,189 1,190 5,192 1,197 6,198 10,200 2,201 9,202 1,211 7,212 6,215 5,216 2,219 1,223 2,224 4,226 1,227 5,228 1,229 2,231 1,233 1,234 8,235 5,237 1,238 7,240 3,244 1,246 4201,247 28.654,248 28.654,249 28.654,250 28.654,251 28.654,252 25.051,253 27.042,254 16.396,255 29.329,256 23.644,257 23.644,258 23.644,259 23.644,260 23.644,261 18.129,262 30.961,263 7.763,264 24.884,265 4.083,266 1.487,267 0.602,268 0.196,269 0.092,270 0.092,271 4.493,276 1575,277 4.359,280 350.931,281 441.728,282 192.619,284 2.729,285 83.879,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 99,295 716,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.339,315 3.552,316 6.557,317 4.002,318 3.066,319 4.007,320 0.98,321 10.256,322 2.872,323 4.278,324 3.212,325 6.341,326 3.885,327 2.924,328 3.899,330 9.493,331 2.85,332 4.152,333 2.982,334 6.269,335 3.867,336 2.881,337 3.504,339 9.474,340 2.784,341 3.933,342 2.696,343 5.996,344 3.527,345 2.592,346 3.283,347 8.523,348 2.419,349 3.648,350 2.676,351 5.861,352 3.288,353 2.357,354 2.925,355 7.86,356 2.187,357 3.366,358 2.534,359 5.246,360 2.928,361 1.943,362 2.765,363 5.917,364 1.908,365 3.357,366 2.244,367 4.868,368 2.845,369 1.891,370 2.592,371 5.163,372 1.8,373 3.043,374 1.969,375 4.794,376 2.817,377 1.877,378 2.143,379 5.035,380 1.746,381 2.926,382 1.898,383 4.674,384 2.478,385 1.587,386 2.097,387 4.749,388 1.409,389 2.861,390 1.543,391 4.192,392 2.414,393 1.456,394 2.015,395 3.672,396 1.389,397 2.741,398 1.469,399 4.136,400 2.392,401 1.414,402 1.778,403 3.07,404 1.377,405 2.564,406 1.459,407 3.894,408 2.053,409 1.129,410 1.587,411 2.99,412 1.046,413 2.549,414 1.311,415 3.67,416 2.048,417 1.046,418 1.511,419 2.617,420 1.036,421 19.5,422 0.453,423 1.321,424 0.031,425 60,426 1.395,427 29.5,428 0.686,429 30.5,430 0.709,431 36.424,432 0.847,433 47.1,434 0.725,435 57.471,436 1.337,437 11.991,438 0.279,439 8.618,440 0.2,441 0.123,442 0.043,443 0.374,447 0.867,448 1.425,449 0.721,450 1.26,451 0.889,452 0.857,453 0.79,454 1.065,455 0.79,456 0.974,457 0.668,458 0.923,459 1.023,460 1.168,461 0.974,462 1.105,463 0.945,464 1.025,465 1.087,466 0.939,467 1.011,468 0.931,469 1.042,470 0.958,471 1.118,472 1.056,473 1.101,474 1.03,475 1.107,476 0.917,477 1.108,478 1.032,479 1.273,480 1.173,481 1.11,482 0.959,483 1.285,484 0.915,485 1.168,486 0.863,487 1.308,488 0.961,489 1.141,490 1.068,491 1.058,492 1.037,493 1.127,494 1.04,495 9.5,496 0.437,497 6.222,498 3.799,499 2.858,500 2.014,501 1.193,502 0.807,503 0.73,504 0.508,505 34821,506 122085,507 2.091,508 33.8,510 12,511 2,512 2,513 6,518 1.816,519 1.933,520 3.975,521 3.055,524 126.088,525 1.94,526 4.536,527 5.42,528 5.826,529 5.93,530 5.93,531 3.485,532 5.194,533 5.394,534 4.181,535 3775.27,536 9.541,537 69889.7,539 391.454,540 1.596,541 5.342,542 0.198,543 0.008,544 0.088,545 0.053,546 0.041,547 0.03,548 0.017,549 0.013,550 0.013,551 0.009,552 0.469,553 0.17,554 0.63,555 0.553,556 249.788,557 -0.111,558 -0.185,559 0.136,560 -0.119,561 -0.216,562 0.032,563 0.128,564 0.069,565 -0.026,566 -0.009,567 0.097,568 -0.058,569 -0.01,570 -0.157,571 -0.019,572 -0.102,573 -0.036,574 -0.07,575 0.02,576 0.044,577 -0.012,578 0.018,579 0.054,580 -0.031,581 -0.072,582 -0.051,583 0.03,584 0.024,585 -0.094,586 0.05,587 0.028,588 -0.011,589 -0.111,590 -0.1,591 0.092,592 -0.033,593 -0.111,594 0.053,595 -0.185,596 0.057,597 -0.093,598 -0.057,599 -0.132,600 -0.061,601 -0.103,602 -0.07,603 -0.092,604 -0.095,605 5.617,606 5.359,607 0.721,608 61.43,609 1.046,610 1.14,611 1.668,612 2.782,613 0.676,614 3.892,615 4.277,616 4.575,617 4.86,618 5.056,619 5.215,620 5.38,621 5.565,622 5.71,623 5.849,624 9.504,625 0.681,626 610.63,627 3.892,628 5.476,629 6.351,630 7.258,631 8.148,632 9.058,633 9.956,634 10.869,635 11.772,636 12.687,637 15.4,640 1,643 1,644 2,646 6,650 2,651 10,652 6,653 6,654 2,655 27,659 1,663 1,666 65,667 30,668 1,669 48,671 70,672 24,673 18,674 2,675 4,676 1,677 6,678 7,683 3,686 3,688 19,689 5,691 3,693 1,694 3,697 1,700 22,701 16,702 6,703 19,704 1,706 1,707 10,711 0.833,712 8,714 2,715 1,716 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 43,740 1,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 12.3,755 2,756 1,757 3,758 2,761 22.25,762 11.2,763 9.139,764 3.366,765 4.794,766 1.518,767 0.948,768 7.696,769 14.046,770 4.182,771 4.84,772 5.406,773 6.012,774 6.492,775 6.881,776 7.342,777 7.805,778 8.184,779 8.594,780 1,781 72,782 16.659,783 8.136,784 8.227,785 28.806,786 24.108,787 2.727,788 117.25,789 188.338,790 126.641,791 153.323,793 217.053,795 7.511,796 119.13,797 405.391,798 153.323,800 20.997,801 201.156,802 270.613,803 23.566,804 27.769,805 141.253,807 188.338,808 272.453,809 217.053,810 7.511,812 188.338,813 112.141,814 104.912,815 53.611,816 118.496,817 107.857,819 188.338,820 370.377,821 126.641,823 7.511,824 188.338,825 26.083,826 96.723,827 16.405,828 350.296,829 188.338,830 370.377,831 126.641,833 0.599,834 0.354,835 0.188,836 0.097,837 36,838 17,839 0.114,840 8,841 1,842 1.065,843 5.142,844 456.225,845 0.065,846 31,847 231.329,848 1,849 28.878,850 11.46,851 5.742,852 0.269,853 366.701,854 15.012,855 25.167,856 0.275,857 2.554,858 177.352,859 685.355,860 64.5,862 -4.7,863 36.977,866 -1.138,867 68.014,868 74.069,869 0.322,870 0.753,871 0.9,872 0.967,873 0.985,874 0.985,875 5.454,876 1.943,877 6.382,878 7.86,879 4.963,880 5.529,881 2.31,882 7.259,883 4.86,884 6.7,885 1.891,886 7.99,887 5.917,888 4.745,889 5.551,891 8.377,892 4.61,893 8.048,894 1.877,895 9.701,896 5.163,897 6.658,898 7.825,899 2.87,900 11.443,901 6.464,902 9.435,903 1.587,904 11.47,905 5.035,906 7.245,907 8.671,909 13.339,910 7.017,911 10.855,912 1.456,913 13.276,914 4.749,915 8.665,916 10.456,917 3.593,918 15.959,919 8.386,920 12.298,921 1.414,922 15.105,923 3.672,924 9.582,925 11.656,927 18.149,928 9.266,929 13.758,930 1.129,931 16.951,932 3.07,933 10.83,934 13.263,935 4.417,936 20.627,937 10.468,938 3.319,939 1.046,940 18.808,941 2.99,942 11.886,943 14.624,945 22.94,946 11.484,947 3.235,948 11.665,949 20.674,950 2.617,951 13.073,952 16.163,953 5.291,954 25.373,955 12.629,956 3.066,957 11.105,958 22.547,959 4.625,960 14.189,961 17.599,963 27.741,964 13.704,965 2.924,966 10.256,967 24.426,968 4.489,969 15.357,970 19.114,971 6.188,972 30.162,973 14.83,974 2.881,975 9.493,976 26.309,977 4.007,978 16.5,979 20.586,981 32.559,982 15.932,983 2.592,984 9.474,985 28.196,986 3.899,987 17.664,988 22.095,989 7.095,990 34.979,991 17.056,992 2.357,993 8.523,994 30.086,995 3.504,996 18.82,997 23.586,999 37.391,1000 18.173,1001 32260,1002 60670,1003 31.728,1004 43.909,1005 74.346,1006 76.304,1007 76.065,1008 73.622,1009 73.607,1010 97.515,1011 7.2,1012 223.422,1013 69.727,1014 5.683,1015 6.473,1016 6.737,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 23.939,1024 1.549,1025 1.59,1026 1.585,1027 1.534,1028 1.533,1029 2.032,1030 0.15,1031 4.655,1032 1.453,1033 4.137,1034 4.189,1035 4.71,1036 3.943,1037 7.725,1038 3.973,1039 3.989,1040 3.993,1041 4.114,1042 3.879,1043 7.428,1044 3.864,1045 3.942,1046 3.977,1047 3.908,1048 3.797,1049 6.999,1050 3.813,1051 3.853,1052 3.853,1053 3.855,1054 3.763,1055 6.495,1056 3.691,1057 3.766,1058 3.77,1059 3.727,1060 3.588,1061 6.468,1062 3.582,1063 3.667,1064 3.712,1065 3.616,1066 3.456,1067 6.4,1068 3.488,1069 3.303,1070 3.381,1071 3.232,1072 3.063,1073 5.29,1074 3.093,1075 3.2,1076 3.224,1077 3.17,1078 2.982,1079 5.092,1080 3.004,1081 0.098,1082 0.093,1083 0.144,1084 0.089,1085 0.069,1086 4.705,1087 0.096,1088 4.473,1089 0.033,1090 6.935,1091 0.243,1092 4.251,1093 0.067,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.039,1103 1.172,1104 2.006,1105 1.85,1106 1.812,1107 1.951,1108 2.005,1109 1.065,1110 1.993,1111 1.805,1112 1.76,1113 1.846,1114 1.961,1115 1.004,1116 1.954,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 0.974,1122 1.869,1123 1.558,1124 1.535,1125 1.653,1126 1.814,1127 0.781,1128 1.782,1129 1.442,1130 1.42,1131 1.478,1132 1.683,1133 0.581,1134 1.68,1135 1.358,1136 1.308,1137 1.363,1138 1.585,1139 0.553,1140 1.546,1141 1.14,1142 1.084,1143 1.317,1144 1.417,1145 0.406,1146 1.391,1147 4.575,1149 5.943,1150 3.434,1151 7.489,1152 5.82,1153 9.114,1154 7.934,1155 10.782,1161 6.11,1162 31.138,1163 -0.775,1164 1.655,1165 10.547,1166 -5.842,1170 44.28,1171 126.088,1172 294.809,1173 352.293,1174 378.699,1175 385.454,1176 385.454,1177 111.771,1178 9.252,1179 255.61,1180 263.99,1181 33,1182 13.201,1183 4.954,1184 4.129,1185 64.008,1186 243,1187 250,1188 0.125,1189 269.614,1190 459.61,1191 649.618,1192 175057,1194 30.302,1195 0.705,1196 0.524,1197 30.552,1198 22.553,1199 20.609,1200 0.429,1201 0.289,1202 12.268,1203 18.622,1204 12.077,1205 9.873,1206 21.463,1207 13.872,1208 19.697,1209 0.277,1210 0.149,1211 21.006,1212 10.578,1213 16.759,1214 0.175,1215 0.076,1216 17.607,1217 7.309,1218 14.151,1219 0.111,1220 0.039,1221 15.002,1222 5.034,1223 10.683,1224 0.068,1225 0.021,1226 11.432,1227 3.281,1228 0.2,1229 141.584,1230 0.178,1231 38.388,1232 0.331,1233 238,1234 888.793,1235 312.739,1236 855.544,1237 1152.12,1238 790,1239 286,1240 824.315,1241 374.558,1242 855.413,1243 1263.57,1244 802,1245 9.022}
{0 CHEMBL611784,1 1.876,2 17.143,3 1.128,4 1.271,5 147.617,6 8.503,7 0.457,8 4.412,9 4.513,10 4.17,11 3.828,12 5.599,13 3.859,14 4.961,15 5.101,16 4.499,17 4.221,18 6.323,19 4.239,20 5.213,21 5.396,22 4.57,23 4.317,24 6.496,25 4.315,26 5.271,27 5.464,28 4.601,29 4.299,30 6.69,31 4.303,32 5.209,33 5.402,34 4.596,35 4.278,36 6.502,37 4.274,38 5.196,39 5.368,40 4.606,41 4.241,42 6.702,43 4.272,44 5.167,45 5.343,46 4.457,47 4.189,48 6.609,49 4.207,50 5.07,51 5.255,52 4.374,53 4.151,54 6.399,55 4.152,56 0.417,57 1.127,58 15.983,59 5.886,60 54.763,61 6.827,62 1.183,63 1.7,64 27.273,65 10.092,66 118.353,67 12.375,68 1.623,69 1.913,70 42.673,71 12.507,72 169.759,73 16.128,74 2.012,75 1.926,76 46.286,77 11.982,78 238.21,79 15.595,80 1.72,81 1.867,82 45.841,83 11.556,84 170.263,85 14.707,86 1.876,87 1.824,88 46.185,89 10.628,90 238.943,91 13.354,92 1.907,93 1.726,94 39.911,95 9.613,96 213.592,97 12.263,98 1.392,99 1.64,100 35.668,101 9.05,102 162.792,103 12.122,104 69,105 67,106 0.29,107 0.688,108 0.848,109 0.901,110 0.91,111 0.91,112 3.765,113 0.94,114 -3.79,115 -3.75,116 -3.57,119 33.8,120 1,121 4,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 8,159 10,160 2,162 1,163 5,165 3,166 7,168 5,169 4,170 1,171 4,172 1,173 3,175 4,177 9,178 8,180 3,181 6,182 1,183 3,185 1,187 5,188 9,189 1,190 5,192 1,197 4,198 11,200 2,201 9,202 1,211 7,212 9,215 5,216 2,217 1,219 1,221 1,223 1,224 5,227 4,228 1,229 2,231 1,233 1,234 7,235 8,237 1,238 7,240 3,244 1,246 4052,247 27.869,248 27.869,249 27.869,250 27.869,251 27.869,252 24.955,253 30.68,254 16.169,255 28.484,256 22.621,257 22.621,258 22.621,259 22.621,260 22.621,261 18.046,262 34.349,263 7.624,264 23.766,265 4.274,266 1.701,267 0.662,268 0.32,269 0.264,270 0.264,271 4.46,276 1544,277 4.743,280 351.682,281 289.588,282 192.05,284 2.823,285 81.844,286 0.25,287 0.33,288 0.33,289 0.5,290 0.5,291 0.17,293 0.3,294 96.5,295 720,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.991,318 3.057,319 3.899,320 0.98,321 10.249,322 2.863,323 4.256,324 3.212,325 6.341,326 3.874,327 2.884,328 3.87,330 9.481,331 2.835,332 4.114,333 2.96,334 6.157,335 3.765,336 2.82,337 3.337,339 9.116,340 2.665,341 3.7,342 2.677,343 5.881,344 3.343,345 2.412,346 3.005,347 7.921,348 2.238,349 3.56,350 2.622,351 5.303,352 3.192,353 2.246,354 2.879,355 6.78,356 2.119,357 3.357,358 2.454,359 5.245,360 2.928,361 1.942,362 2.592,363 5.916,364 1.908,365 3.043,366 2.243,367 4.868,368 2.82,369 1.881,370 2.129,371 5.163,372 1.747,373 2.892,374 1.969,375 4.794,376 2.64,377 1.655,378 2.018,379 4.75,380 1.629,381 2.861,382 1.661,383 4.361,384 2.478,385 1.587,386 2.015,387 4.093,388 1.406,389 2.737,390 1.543,391 4.143,392 2.392,393 1.414,394 1.768,395 3.07,396 1.377,397 2.606,398 1.469,399 3.894,400 2.316,401 1.369,402 1.616,403 3.045,404 1.293,405 2.55,406 1.421,407 3.695,408 2.051,409 1.069,410 1.511,411 2.954,412 1.046,413 2.442,414 1.311,415 3.605,416 1.987,417 1.046,418 1.424,419 2.615,420 0.977,421 19.1,422 0.455,423 1.269,424 0.03,425 52.5,426 1.25,427 23.5,428 0.56,429 29,430 0.69,431 40.933,432 0.975,433 48.1,434 0.677,435 50.41,436 1.2,437 10.023,438 0.239,439 10.052,440 0.239,441 0.152,442 0.044,443 0.356,447 0.831,448 1.511,449 0.763,450 1.351,451 0.86,452 0.975,453 0.714,454 1.108,455 0.778,456 1.043,457 0.609,458 0.986,459 0.93,460 1.17,461 0.89,462 1.083,463 0.865,464 0.986,465 1.023,466 0.95,467 0.932,468 0.905,469 0.967,470 0.908,471 1.054,472 1.043,473 1.018,474 1.003,475 1.045,476 0.885,477 1.101,478 1.096,479 1.198,480 1.144,481 1.082,482 0.929,483 1.28,484 0.959,485 1.163,486 0.898,487 1.279,488 0.994,489 1.175,490 1.1,491 1.083,492 1.027,493 1.114,494 1.042,495 9.5,496 0.462,497 5.778,498 3.833,499 2.862,500 1.865,501 1.269,502 0.859,503 0.67,504 0.488,505 31385,506 100914,507 2.04,508 40.8,509 9,510 9,511 2,512 1,513 6,514 2,518 1.811,519 1.874,520 3.993,521 3.064,524 133.182,525 1.876,526 4.449,527 5.487,528 5.829,529 5.886,530 5.886,531 3.502,532 5.297,533 5.357,534 4.192,535 3609.15,536 9.471,537 66127.1,539 436.632,540 1.63,541 5.3,542 0.207,543 0.009,544 0.086,545 0.056,546 0.043,547 0.029,548 0.019,549 0.015,550 0.012,551 0.009,552 0.484,553 0.17,554 0.5,555 1.098,556 242.864,557 -0.067,558 -0.181,559 0.151,560 -0.121,561 -0.176,562 0.018,563 0.201,564 0.053,565 0.054,566 -0.021,567 0.151,568 -0.028,569 0.063,570 -0.158,571 0.081,572 -0.069,573 0.02,574 0.003,575 0.073,576 0.036,577 0.067,578 0.039,579 0.102,580 0.03,581 -0.009,582 -0.016,583 0.087,584 0.04,585 -0.052,586 0.073,587 0.05,588 -0.035,589 -0.057,590 -0.086,591 0.111,592 -0.012,593 -0.087,594 0.065,595 -0.199,596 0.002,597 -0.071,598 -0.116,599 -0.153,600 -0.049,601 -0.132,602 -0.075,603 -0.088,604 -0.113,605 5.6,606 5.346,607 0.595,608 61.732,609 1.034,610 1.144,611 2.562,612 6.565,613 0.647,614 3.85,615 4.22,616 4.5,617 4.779,618 4.963,619 5.136,620 5.293,621 5.476,622 5.602,623 5.71,624 9.515,625 0.639,626 603.69,627 3.85,628 5.425,629 6.29,630 7.192,631 8.077,632 8.986,633 9.88,634 10.794,635 11.695,636 12.611,637 12.7,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 71,667 24,668 1,669 46,671 75,672 24,673 13,674 2,675 4,676 1,677 5,678 6,681 1,683 3,686 7,688 14,689 10,691 3,693 1,694 3,697 1,700 29,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 42,740 1,742 1,743 3,744 5,745 1,746 2,747 4,751 1,754 11.3,755 2,756 1,757 3,758 2,761 22.417,762 12.417,763 9.111,764 4.145,765 3.709,766 1.417,767 0.922,768 8.932,769 12.609,770 4.103,771 4.736,772 5.273,773 5.868,774 6.318,775 6.726,776 7.166,777 7.615,778 7.931,779 8.252,780 0.917,781 68,782 16.332,783 7.87,784 8.181,785 28.599,786 23.815,787 2.681,788 112.583,789 270.735,790 105.371,791 136.538,793 217.053,795 7.511,796 97.86,797 487.789,798 136.538,799 8.825,800 31.136,801 172.728,802 242.056,803 11.762,804 27.769,805 235.422,807 270.735,808 234.398,809 217.053,810 7.511,812 270.735,813 112.141,814 104.912,815 60.77,816 90.068,817 91.071,819 270.735,820 353.591,821 105.371,823 7.511,824 270.735,825 33.464,826 68.072,827 16.405,828 333.51,829 270.735,830 353.591,831 105.371,833 0.591,834 0.345,835 0.182,836 0.093,837 32,838 16,839 0.147,840 11,841 1,842 1.08,843 5.035,844 429.731,845 0.08,846 25,847 224.477,848 1,849 30.093,850 12.466,851 6.517,852 0.349,853 349.915,854 8.3,855 21.109,856 0.156,857 2.679,858 177.352,859 729.698,860 59.5,862 -4.683,863 36.941,866 -1.127,867 73.447,868 81.232,869 0.305,870 0.723,871 0.892,872 0.948,873 0.957,874 0.957,875 5.376,876 1.942,877 6.319,878 6.78,879 4.905,880 5.425,881 2.31,882 7.191,883 4.804,884 6.613,885 1.881,886 7.924,887 5.916,888 4.691,889 5.497,891 8.313,892 4.555,893 7.962,894 1.655,895 9.633,896 5.163,897 6.594,898 7.716,899 2.87,900 11.375,901 6.4,902 9.35,903 1.587,904 11.401,905 4.75,906 7.186,907 8.613,909 13.276,910 6.955,911 10.773,912 1.414,913 13.206,914 4.093,915 8.599,916 10.362,917 3.593,918 15.898,919 8.318,920 12.218,921 1.369,922 15.036,923 3.07,924 9.523,925 11.599,927 18.095,928 9.202,929 13.681,930 1.069,931 16.882,932 3.045,933 10.767,934 13.188,935 4.417,936 20.578,937 10.402,938 3.319,939 1.046,940 18.74,941 2.954,942 11.829,943 14.571,945 22.898,946 11.422,947 3.235,948 11.664,949 20.608,950 2.615,951 13.016,952 16.103,953 5.291,954 25.335,955 12.567,956 3.057,957 11.105,958 22.483,959 4.624,960 14.136,961 17.553,963 27.709,964 13.646,965 2.884,966 10.249,967 24.364,968 4.489,969 15.305,970 19.066,971 6.188,972 30.134,973 14.774,974 2.82,975 9.481,976 26.25,977 3.899,978 16.451,979 20.547,981 32.535,982 15.88,983 2.412,984 9.116,985 28.14,986 3.87,987 17.618,988 22.056,989 7.095,990 34.958,991 17.006,992 2.246,993 7.921,994 30.033,995 3.337,996 18.777,997 23.553,999 37.374,1000 18.125,1001 29912,1002 54111,1003 29.937,1004 45.949,1005 70.043,1006 72.317,1007 72.815,1008 69.634,1009 69.612,1010 89.329,1011 7.2,1012 209.273,1013 66.026,1014 5.683,1015 6.473,1016 6.845,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 25.574,1024 1.523,1025 1.572,1026 1.583,1027 1.514,1028 1.513,1029 1.942,1030 0.157,1031 4.549,1032 1.435,1033 4.134,1034 4.187,1035 4.71,1036 3.939,1037 7.725,1038 3.969,1039 3.989,1040 3.977,1041 4.111,1042 3.879,1043 7.428,1044 3.864,1045 3.897,1046 3.957,1047 3.859,1048 3.765,1049 6.999,1050 3.721,1051 3.846,1052 3.844,1053 3.845,1054 3.697,1055 6.495,1056 3.683,1057 3.75,1058 3.751,1059 3.7,1060 3.582,1061 6.468,1062 3.571,1063 3.643,1064 3.709,1065 3.484,1066 3.462,1067 6.4,1068 3.464,1069 3.335,1070 3.415,1071 3.247,1072 3.113,1073 5.287,1074 3.129,1075 3.233,1076 3.321,1077 3.171,1078 3.013,1079 5.057,1080 3.026,1081 0.102,1082 0.097,1083 0.151,1084 0.092,1085 0.072,1086 4.705,1087 0.101,1088 4.473,1089 0.034,1090 6.935,1091 0.254,1092 4.251,1093 0.07,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 2.011,1102 2.038,1103 1.33,1104 2.006,1105 1.82,1106 1.773,1107 1.991,1108 2.005,1109 1.172,1110 1.99,1111 1.755,1112 1.696,1113 1.85,1114 1.917,1115 1.065,1116 1.948,1117 1.646,1118 1.676,1119 1.781,1120 1.858,1121 1.003,1122 1.869,1123 1.56,1124 1.535,1125 1.742,1126 1.815,1127 0.968,1128 1.784,1129 1.489,1130 1.432,1131 1.651,1132 1.683,1133 0.778,1134 1.698,1135 1.441,1136 1.414,1137 1.442,1138 1.673,1139 0.584,1140 1.679,1141 1.239,1142 1.157,1143 1.364,1144 1.558,1145 0.562,1146 1.508,1147 4.533,1149 5.889,1150 3.434,1151 7.421,1152 5.82,1153 9.036,1154 7.928,1155 10.698,1157 2.104,1161 6.109,1162 31.103,1163 3.061,1164 1.662,1165 10.556,1166 -5.736,1170 45.366,1171 133.182,1172 315.861,1173 389.612,1174 413.877,1175 417.877,1176 417.877,1177 124.614,1178 8.901,1179 242.72,1180 251.1,1181 27,1182 13.125,1183 4.644,1184 3.858,1185 69.058,1186 236,1187 295,1188 0.139,1189 278.995,1190 479.79,1191 672.508,1192 112903,1194 30.018,1195 0.715,1196 0.551,1197 30.268,1198 23.125,1199 20.075,1200 0.436,1201 0.313,1202 12.824,1203 18.155,1204 12.573,1205 10.362,1206 20.928,1207 14.412,1208 18.9,1209 0.282,1210 0.163,1211 20.21,1212 10.926,1213 15.726,1214 0.177,1215 0.084,1216 16.574,1217 7.466,1218 13.123,1219 0.111,1220 0.043,1221 13.974,1222 5.108,1223 9.721,1224 0.068,1225 0.023,1226 10.47,1227 3.286,1228 0.224,1229 137.923,1230 0.183,1231 37.743,1232 0.368,1233 226,1234 825.148,1235 299.018,1236 792.02,1237 1061.51,1238 730,1239 269,1240 753.85,1241 355.532,1242 783.505,1243 1157.35,1244 734,1245 9.215}
{0 CHEMBL611785,1 1.893,2 17.295,3 1.243,4 1.544,5 154.401,6 9.039,7 0.551,8 4.403,9 4.493,10 4.211,11 3.86,12 5.64,13 3.9,14 4.925,15 5.042,16 4.556,17 4.255,18 6.345,19 4.289,20 5.161,21 5.306,22 4.63,23 4.359,24 6.519,25 4.374,26 5.254,27 5.428,28 4.644,29 4.33,30 6.714,31 4.343,32 5.191,33 5.377,34 4.625,35 4.278,36 6.515,37 4.289,38 5.136,39 5.285,40 4.631,41 4.229,42 6.693,43 4.278,44 5.135,45 5.297,46 4.498,47 4.196,48 6.617,49 4.229,50 5.052,51 5.226,52 4.43,53 4.178,54 6.418,55 4.193,56 0.435,57 1.135,58 13.39,59 5.813,60 55.882,61 5.713,62 1.164,63 1.735,64 22.001,65 9.667,66 114.418,67 10.309,68 1.543,69 2.004,70 33.832,71 12.448,72 160.685,73 13.49,74 1.985,75 2.062,76 40.812,77 12.557,78 236.495,79 14.19,80 1.758,81 1.959,82 42.635,83 11.817,84 179.552,85 13.178,86 1.799,87 1.865,88 39.914,89 10.794,90 235.841,91 11.193,92 1.886,93 1.804,94 35.249,95 9.881,96 217.568,97 10.425,98 1.403,99 1.731,100 32.108,101 9.527,102 167.505,103 10.834,104 65,105 73,106 0.291,107 0.693,108 0.823,109 0.883,110 0.898,111 0.898,112 3.81,113 0.883,114 -4,115 -3.95,116 -3.74,119 37.7,120 1,125 1,127 3,128 1,134 8,135 3,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 11,159 10,160 2,162 1,163 5,165 3,166 12,168 5,169 5,170 1,171 4,172 1,173 3,175 7,177 9,178 11,180 3,181 6,182 1,183 3,185 1,187 5,188 11,189 1,190 5,192 1,197 4,198 13,200 2,201 9,202 1,211 7,212 11,215 5,216 2,217 1,219 1,221 1,223 1,224 6,227 4,228 1,229 3,231 1,233 2,234 7,235 10,237 1,238 7,240 4,244 2,246 4502,247 29.101,248 29.101,249 29.101,250 29.101,251 29.101,252 25.474,253 29.468,254 16.482,255 29.713,256 24.11,257 24.11,258 24.11,259 24.11,260 24.11,261 18.534,262 32.431,263 7.799,264 25.249,265 4.215,266 1.605,267 0.757,268 0.37,269 0.272,270 0.272,271 4.513,276 1667,277 4.416,280 362.18,281 454.065,282 198.834,284 2.854,285 82.259,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 100.5,295 761,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.347,315 3.552,316 6.557,317 4.006,318 3.067,319 4.021,320 0.98,321 10.256,322 2.893,323 4.278,324 3.212,325 6.341,326 3.899,327 2.932,328 3.899,330 9.497,331 2.856,332 4.157,333 2.989,334 6.271,335 3.871,336 2.882,337 3.582,339 9.476,340 2.808,341 3.98,342 2.74,343 6,344 3.575,345 2.623,346 3.316,347 8.538,348 2.495,349 3.687,350 2.677,351 5.862,352 3.317,353 2.376,354 3.043,355 7.862,356 2.244,357 3.596,358 2.565,359 5.246,360 3.222,361 2.25,362 2.9,363 6.104,364 2.163,365 3.357,366 2.409,367 5.048,368 2.928,369 1.942,370 2.592,371 5.916,372 1.908,373 3.142,374 2.243,375 4.868,376 2.82,377 1.882,378 2.431,379 5.163,380 1.747,381 3.042,382 1.969,383 4.794,384 2.629,385 1.674,386 2.121,387 4.786,388 1.595,389 2.861,390 1.706,391 4.602,392 2.477,393 1.586,394 2.015,395 4.743,396 1.405,397 2.749,398 1.543,399 4.15,400 2.392,401 1.414,402 1.797,403 3.281,404 1.377,405 2.628,406 1.469,407 4.083,408 2.123,409 1.196,410 1.67,411 3.07,412 1.106,413 2.55,414 1.311,415 3.894,416 2.051,417 1.046,418 1.511,419 2.959,420 1.045,421 20.1,422 0.457,423 1.427,424 0.032,425 60,426 1.364,427 29.5,428 0.67,429 30.5,430 0.693,431 39.13,432 0.889,433 48.3,434 0.7,435 58.199,436 1.323,437 11.95,438 0.272,439 9.053,440 0.206,441 0.144,442 0.041,443 0.388,447 0.837,448 1.366,449 0.732,450 1.235,451 0.879,452 0.873,453 0.742,454 0.999,455 0.761,456 0.942,457 0.64,458 0.893,459 0.983,460 1.214,461 0.977,462 1.154,463 0.924,464 1.079,465 1.03,466 1.008,467 0.983,468 0.965,469 0.989,470 0.985,471 1.088,472 1.003,473 1.046,474 0.956,475 1.068,476 0.852,477 1.133,478 1.127,479 1.246,480 1.177,481 1.127,482 0.943,483 1.301,484 0.939,485 1.174,486 0.865,487 1.314,488 0.962,489 1.167,490 1.058,491 1.061,492 0.974,493 1.109,494 0.988,495 10.5,496 0.47,497 6.667,498 3.861,499 3.049,500 2.125,501 1.258,502 0.872,503 0.78,504 0.53,505 37060,506 122894,507 2.076,508 36.2,509 3,510 13,511 2,512 1,513 6,518 1.821,519 1.906,520 4.02,521 3.001,524 130.651,525 1.893,526 4.503,527 5.351,528 5.739,529 5.837,530 5.837,531 3.508,532 5.232,533 5.427,534 4.224,535 3995.53,536 9.606,537 75509.5,539 421.488,540 1.625,541 5.369,542 0.214,543 0.009,544 0.091,545 0.052,546 0.043,547 0.031,548 0.018,549 0.014,550 0.013,551 0.009,552 0.494,553 0.17,554 0.63,555 0.571,556 257.669,557 -0.08,558 -0.128,559 0.141,560 -0.093,561 -0.208,562 0.038,563 0.177,564 0.131,565 0.027,566 0.035,567 0.121,569 0.019,570 -0.184,571 -0.044,572 -0.143,573 -0.028,574 -0.127,575 0.06,576 -0.024,577 0.017,578 -0.015,579 0.076,580 -0.042,581 -0.031,582 0.003,583 0.091,584 0.072,585 -0.064,586 0.112,587 0.042,588 -0.072,589 -0.096,590 -0.114,591 0.106,592 -0.041,593 -0.1,594 0.072,595 -0.206,596 0.036,597 -0.091,598 -0.089,599 -0.149,600 -0.035,601 -0.101,602 -0.029,603 -0.087,604 -0.055,605 5.614,606 5.377,607 0.705,608 65.316,609 1.039,610 1.136,611 2.767,612 7.659,613 0.673,614 3.912,615 4.304,616 4.595,617 4.875,618 5.081,619 5.247,620 5.398,621 5.587,622 5.743,623 5.872,624 9.751,625 0.671,626 623.67,627 3.912,628 5.501,629 6.375,630 7.283,631 8.172,632 9.083,633 9.98,634 10.893,635 11.795,636 12.71,637 13,640 1,643 1,644 2,646 5,650 2,651 10,652 5,653 7,654 2,655 27,659 1,663 1,666 69,667 30,668 2,669 49,671 74,672 26,673 19,674 4,675 8,676 1,677 6,678 7,681 1,683 3,686 3,688 20,689 6,691 3,693 1,694 3,697 1,700 25,701 15,702 6,703 18,704 1,706 1,707 9,711 0.833,712 8,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,735 1,739 44,740 1,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 11.6,755 2,756 1,757 3,758 2,761 23.083,762 12.25,763 9.306,764 3.638,765 4.835,766 1.517,767 0.949,768 7.975,769 14.181,770 4.197,771 4.864,772 5.426,773 6.028,774 6.517,775 6.917,776 7.362,777 7.829,778 8.222,779 8.619,780 0.917,781 74,782 17.045,783 8.287,784 8.18,785 29.71,786 24.944,787 2.68,788 117.917,789 223.651,790 139.509,791 136.538,793 217.053,795 7.511,796 131.998,797 440.704,798 136.538,799 8.825,800 20.997,801 210.633,802 242.056,803 18.133,804 27.769,805 188.338,807 223.651,808 268.536,809 217.053,810 7.511,812 223.651,813 112.141,814 104.912,815 50.632,816 134.344,817 91.071,819 223.651,820 353.591,821 139.509,823 7.511,824 223.651,825 29.697,826 105.977,827 16.405,828 333.51,829 223.651,830 353.591,831 139.509,833 0.602,834 0.354,835 0.185,836 0.096,837 37,838 18,839 0.108,840 8,841 1,842 1.065,843 5.2,844 469.747,845 0.065,846 31,847 234.215,848 1,849 29.895,850 11.738,851 5.992,852 0.298,853 349.915,854 15.875,855 21.186,856 1.785,857 2.616,858 177.352,859 716.752,860 65.5,862 -4.698,863 37.03,866 -1.134,867 71.68,868 78.402,869 0.31,870 0.737,871 0.876,872 0.939,873 0.956,874 0.956,875 5.475,876 2.25,877 6.412,878 7.862,879 4.99,880 5.553,881 2.31,882 7.288,883 4.897,884 6.726,885 1.942,886 8.021,887 6.104,888 4.796,889 5.602,891 8.401,892 4.674,893 8.078,894 1.882,895 9.731,896 5.916,897 6.688,898 7.854,899 2.87,900 11.461,901 6.513,902 9.467,903 1.674,904 11.497,905 5.163,906 7.28,907 8.708,909 13.349,910 7.07,911 10.887,912 1.586,913 13.299,914 4.786,915 8.69,916 10.482,917 3.593,918 15.967,919 8.434,920 12.328,921 1.414,922 15.125,923 4.743,924 9.606,925 11.683,927 18.153,928 9.311,929 13.787,930 1.196,931 16.967,932 3.281,933 10.849,934 13.284,935 4.417,936 20.631,937 10.511,938 3.319,939 1.046,940 18.821,941 3.07,942 11.903,943 14.643,945 22.942,946 11.524,947 3.235,948 11.665,949 20.685,950 2.959,951 13.087,952 16.179,953 5.291,954 25.374,955 12.667,956 3.067,957 11.105,958 22.556,959 4.625,960 14.201,961 17.613,963 27.742,964 13.739,965 2.932,966 10.256,967 24.432,968 4.489,969 15.367,970 19.126,971 6.188,972 30.163,973 14.864,974 2.882,975 9.497,976 26.314,977 4.021,978 16.508,979 20.597,981 32.559,982 15.964,983 2.623,984 9.476,985 28.2,986 3.899,987 17.672,988 22.104,989 7.095,990 34.98,991 17.087,992 2.376,993 8.538,994 30.09,995 3.582,996 18.827,997 23.594,999 37.392,1000 18.201,1001 34464,1002 63107,1003 32.134,1004 46.426,1005 75.956,1006 77.961,1007 78.377,1008 75.179,1009 75.183,1010 99.252,1011 7.2,1012 229.59,1013 71.597,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 26.318,1024 1.55,1025 1.591,1026 1.6,1027 1.534,1028 1.534,1029 2.026,1030 0.147,1031 4.686,1032 1.461,1033 4.139,1034 4.191,1035 4.71,1036 3.958,1037 7.725,1038 3.983,1039 3.989,1040 4.012,1041 4.115,1042 3.885,1043 7.428,1044 3.881,1045 3.971,1046 3.977,1047 3.93,1048 3.868,1049 6.999,1050 3.863,1051 3.856,1052 3.86,1053 3.855,1054 3.764,1055 6.495,1056 3.693,1057 3.779,1058 3.791,1059 3.741,1060 3.594,1061 6.468,1062 3.591,1063 3.693,1064 3.722,1065 3.644,1066 3.49,1067 6.4,1068 3.518,1069 3.311,1070 3.388,1071 3.24,1072 3.083,1073 5.289,1074 3.108,1075 3.204,1076 3.235,1077 3.17,1078 2.993,1079 5.074,1080 3.012,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.251,1093 0.065,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.932,1100 1.906,1101 2.046,1102 2.041,1103 1.172,1104 2.024,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.154,1110 2.006,1111 1.812,1112 1.766,1113 1.848,1114 1.998,1115 1.065,1116 1.979,1117 1.646,1118 1.676,1119 1.778,1120 1.858,1121 1.001,1122 1.869,1123 1.559,1124 1.535,1125 1.655,1126 1.815,1127 0.791,1128 1.783,1129 1.442,1130 1.421,1131 1.59,1132 1.683,1133 0.689,1134 1.68,1135 1.405,1136 1.357,1137 1.4,1138 1.597,1139 0.57,1140 1.582,1141 1.2,1142 1.123,1143 1.359,1144 1.497,1145 0.456,1146 1.471,1147 4.595,1149 5.969,1150 3.434,1151 7.517,1152 5.82,1153 9.142,1154 7.934,1155 10.81,1157 1.969,1161 6.139,1162 31.198,1163 -0.77,1164 1.661,1165 10.577,1166 -5.815,1170 46.312,1171 130.651,1172 310.72,1173 369.224,1174 395.978,1175 402.733,1176 402.733,1177 116.009,1178 9.346,1179 242.72,1180 251.1,1181 33,1182 13.225,1183 4.954,1184 4.129,1185 66.291,1186 255,1187 281,1188 0.123,1189 282.004,1190 483.21,1191 679.85,1192 196474,1194 31.173,1195 0.708,1196 0.536,1197 31.423,1198 23.605,1199 21.003,1200 0.429,1201 0.294,1202 12.835,1203 19.085,1204 12.555,1205 10.303,1206 21.856,1207 14.423,1208 20.319,1209 0.278,1210 0.154,1211 21.628,1212 11.229,1213 17.169,1214 0.175,1215 0.079,1216 18.017,1217 7.729,1218 14.303,1219 0.11,1220 0.04,1221 15.153,1222 5.259,1223 10.907,1224 0.068,1225 0.022,1226 11.656,1227 3.494,1228 0.198,1229 143.493,1230 0.176,1231 39.139,1232 0.326,1233 244,1234 877.148,1235 317.018,1236 847.352,1237 1142.35,1238 782,1239 293,1240 817.85,1241 379.699,1242 852.093,1243 1257.77,1244 798,1245 9.319}
{0 CHEMBL611786,1 1.947,2 12.645,3 -0.898,4 0.806,5 105.359,6 9.193,7 0.471,8 4.065,9 4.147,10 3.916,11 3.493,12 5.296,13 3.54,14 4.603,15 4.714,16 4.227,17 3.876,18 6.092,19 3.916,20 4.829,21 4.976,22 4.267,23 3.969,24 6.145,25 3.984,26 4.885,27 5.052,28 4.291,29 3.927,30 6.412,31 3.945,32 4.821,33 4.987,34 4.208,35 3.881,36 6.208,37 3.864,38 4.762,39 4.923,40 4.121,41 3.773,42 6.238,43 3.788,44 4.668,45 4.821,46 3.955,47 3.652,48 6.236,49 3.658,50 4.508,51 4.69,52 3.768,53 3.572,54 5.77,55 3.546,56 0.351,57 0.787,58 10.219,59 4.077,60 51.236,61 3.973,62 1.01,63 1.178,64 16.453,65 6.882,66 102.038,67 7.21,68 1.262,69 1.329,70 26.524,71 9.001,72 133.381,73 9.634,74 1.542,75 1.304,76 29.481,77 8.706,78 202.715,79 9.57,80 1.428,81 1.209,82 30.94,83 8.889,84 157.648,85 9.338,86 1.383,87 1.088,88 31.956,89 8.215,90 190.845,91 8.531,92 1.443,93 0.959,94 24.692,95 7.021,96 184.84,97 7.284,98 0.903,99 0.892,100 21.407,101 6.168,102 124.461,103 6.974,104 37,105 50,106 0.326,107 0.739,108 0.871,109 0.905,110 0.912,111 0.912,112 3.472,113 0.919,114 -2.87,115 -2.87,116 -2.78,119 34.7,121 1,125 1,127 2,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,160 2,162 1,163 5,165 4,166 4,168 3,169 3,170 1,171 3,173 3,175 2,177 6,178 5,180 2,181 3,182 1,183 3,187 3,188 8,190 4,192 2,197 1,198 6,200 1,201 4,211 5,212 6,215 4,216 2,217 1,219 1,220 1,221 1,224 1,232 1,234 6,235 3,237 1,238 5,240 2,243 2,246 1571,247 20.361,248 20.361,249 20.361,250 20.361,251 20.361,252 17.95,253 21.349,254 11.656,255 20.878,256 16.743,257 16.743,258 16.743,259 16.743,260 16.743,261 13.059,262 24.841,263 5.491,264 17.661,265 3.667,266 1.197,267 0.408,268 0.204,269 0.163,270 0.163,271 4.159,275 1,276 850,277 4.062,280 163.162,281 209.312,282 136.91,284 1.938,285 63.073,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 72,295 392,296 4.704,297 4.473,298 6.864,299 4.231,300 3.259,301 4.581,302 1.579,303 11.429,304 3.208,305 4.637,306 3.556,307 6.764,308 4.174,309 3.23,310 4.488,311 1.041,312 11.103,313 3.008,314 4.278,315 3.485,316 6.341,317 3.878,318 2.892,319 3.899,320 0.98,321 9.484,322 2.856,323 4.011,324 3.048,325 6.282,326 3.793,327 2.854,328 3.282,330 9.366,331 2.661,332 3.546,333 2.677,334 5.523,335 3.216,336 2.288,337 2.731,339 7.097,340 2.117,341 3.356,342 2.492,343 5.056,344 2.927,345 1.942,346 2.592,347 5.679,348 1.907,349 3.052,350 2.186,351 4.86,352 2.82,353 1.881,354 2.323,355 5.153,356 1.747,357 3.01,358 1.74,359 4.501,360 2.454,361 1.55,362 2.063,363 4.067,364 1.4,365 2.861,366 1.548,367 4.091,368 2.392,369 1.414,370 2.015,371 3.665,372 1.377,373 2.66,374 1.543,375 3.889,376 2.307,377 1.399,378 1.7,379 3.07,380 1.264,381 2.55,382 1.416,383 3.819,384 2.051,385 1.045,386 1.511,387 2.615,388 1.045,389 2.322,390 1.311,391 3.6,392 1.845,393 0.943,394 1.263,395 2.464,396 0.847,397 1.917,398 1.05,399 3.392,400 1.578,401 0.706,402 0.831,403 1.76,404 0.612,405 1.673,406 0.823,407 3.291,408 1.458,409 0.558,410 0.605,411 1.409,412 0.497,413 1.095,414 0.548,415 2.84,416 0.749,417 -0.188,418 -0.224,419 -0.434,420 -0.174,421 14.067,422 0.454,423 1.009,424 0.033,425 41.5,426 1.339,427 19.5,428 0.629,429 22,430 0.71,431 24.302,432 0.784,433 35.133,434 0.717,435 35.498,436 1.145,437 8.202,438 0.265,439 6.547,440 0.211,441 0.147,442 0.059,443 0.348,447 0.857,448 1.575,449 0.748,450 1.373,451 0.856,452 0.912,453 0.758,454 0.976,455 0.801,456 0.934,457 0.597,458 0.921,459 1.066,460 1.19,461 1.008,462 1.139,463 0.94,464 1.071,465 1.05,466 0.939,467 0.985,468 0.955,469 0.949,470 0.965,471 1.11,472 0.974,473 1.244,474 1.115,475 1.142,476 1.036,477 1.256,478 1.009,479 1.34,480 1.227,481 1.283,482 1.008,483 1.264,484 0.798,485 1.241,486 0.926,487 1.344,488 1.064,489 1.268,490 1.083,491 1.168,492 1.112,493 1.365,494 1.117,495 7.5,496 0.262,497 4.444,498 3.104,499 2.011,500 1.129,501 0.809,502 0.452,503 0.344,504 0.253,505 13744,506 50296,507 2.038,508 36.7,510 8,511 1,512 2,513 5,516 2,518 1.733,519 1.869,520 3.6,521 2.573,524 95.414,525 1.947,526 4.417,527 5.207,528 5.411,529 5.451,530 5.451,531 3.048,532 4.696,533 4.93,534 3.805,535 1769.36,536 8.589,537 25785.5,539 275.121,540 1.663,541 4.859,542 0.221,543 0.01,544 0.089,545 0.063,546 0.043,547 0.028,548 0.021,549 0.014,550 0.013,551 0.008,552 0.508,553 0.17,554 0.88,555 0.618,556 162.721,557 -0.121,558 -0.293,559 0.168,560 -0.164,561 -0.204,562 0.029,563 0.171,564 0.16,565 -0.014,566 0.036,567 0.159,568 -0.028,569 -0.082,570 -0.182,571 -0.053,572 -0.121,573 -0.086,574 -0.099,575 0.014,576 0.029,577 0.018,578 0.004,579 0.108,580 -0.018,581 -0.045,582 0.006,583 -0.072,584 -0.014,585 -0.088,586 -0.048,587 -0.112,588 -0.06,589 -0.124,590 -0.106,591 -0.06,592 -0.019,593 -0.03,594 0.117,595 -0.21,596 0.03,597 -0.035,598 -0.14,599 -0.284,600 -0.139,601 -0.12,602 -0.091,603 -0.277,604 -0.103,605 5.407,606 5.086,607 0.645,608 30.743,609 1.047,610 1.14,611 1.636,612 2.678,613 0.662,614 3.555,615 3.932,616 4.19,617 4.466,618 4.605,619 4.673,620 4.787,621 4.89,622 4.883,623 4.92,624 7.539,625 0.663,626 450.48,627 3.555,628 5.13,629 5.989,630 6.893,631 7.768,632 8.673,633 9.556,634 10.461,635 11.349,636 12.255,637 12.2,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 49,667 19,668 1,669 34,671 52,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,698 1,700 18,701 12,702 5,703 14,704 1,706 1,707 6,711 0.75,712 7,714 1,715 1,717 1,721 2,722 2,730 1,731 1,732 3,733 1,739 31,740 1,742 1,743 2,744 2,745 1,746 2,747 3,754 14.3,755 1,756 1,757 3,758 2,761 16.583,762 8.283,763 6.611,764 2.518,765 2.874,766 1.37,767 0.939,768 5.896,769 10.642,770 3.829,771 4.474,772 4.981,773 5.559,774 5.974,775 6.214,776 6.525,777 6.818,778 6.77,779 6.875,780 1,781 49,782 12.011,783 5.81,784 8.32,785 20.757,786 17.304,787 2.82,788 87.417,789 153.024,790 83.858,791 101.558,793 174.37,795 7.511,796 76.347,797 327.394,798 101.558,800 23.532,801 120.997,802 220.624,803 15.847,804 14.099,805 117.711,807 153.024,808 177.905,809 174.37,810 7.511,812 129.482,813 135.683,814 62.229,815 46.528,816 81.02,817 57.868,819 153.024,820 275.928,821 83.858,823 7.511,824 153.024,825 21.205,826 57.041,827 16.405,828 257.624,829 153.024,830 275.928,831 83.858,833 0.598,834 0.347,835 0.186,836 0.093,837 25,838 12,839 0.115,840 6,841 1,842 1.1,843 4.18,844 279.892,845 0.1,846 20,847 151.58,848 1,849 21.578,850 8.47,851 4.521,852 0.688,853 274.029,854 8.087,855 12.025,856 -0.435,857 1.465,858 134.669,859 512.81,860 45,862 -4.491,863 36.228,866 -1.05,867 51.28,868 55.867,869 0.347,870 0.787,871 0.927,872 0.964,873 0.971,874 0.971,875 5.1,876 1.55,877 6.028,878 5.153,879 4.615,880 5.162,881 2.31,882 6.901,883 4.512,884 6.347,885 1.414,886 7.635,887 4.067,888 4.443,889 5.286,891 8.067,892 4.327,893 7.704,894 1.399,895 9.346,896 3.665,897 6.315,898 7.482,899 2.87,900 11.101,901 6.13,902 9.101,903 1.045,904 11.118,905 3.07,906 6.929,907 8.416,909 13.038,910 6.728,911 10.531,912 0.943,913 12.927,914 2.615,915 8.333,916 10.166,917 3.593,918 15.644,919 8.079,920 11.985,921 0.706,922 14.76,923 2.464,924 9.266,925 11.428,927 17.862,928 8.989,929 13.456,930 0.558,931 16.611,932 1.76,933 10.507,934 13.024,935 4.417,936 20.335,937 10.188,938 3.259,939 -0.188,940 18.473,941 1.409,942 11.572,943 14.423,945 22.663,946 11.225,947 3.23,948 11.429,949 20.345,950 -0.434,951 12.756,952 15.962,953 5.291,954 25.093,955 12.372,956 2.892,957 11.103,958 22.224,959 4.581,960 13.875,961 17.42,963 27.468,964 13.461,965 2.854,966 9.484,967 24.108,968 4.488,969 15.042,970 18.938,971 6.188,972 29.886,973 14.595,974 2.288,975 9.366,976 25.996,977 3.899,978 16.184,979 20.423,981 32.282,982 15.708,983 1.942,984 7.097,985 27.887,986 3.282,987 17.347,988 21.934,989 7.095,990 34.698,991 16.839,992 1.881,993 5.679,994 29.782,995 2.731,996 18.501,997 23.431,999 37.106,1000 17.964,1001 13062,1002 25171,1003 22.076,1004 32.432,1005 52.097,1006 54.259,1007 54.193,1008 51.815,1009 51.922,1010 67.767,1011 7.2,1012 156.719,1013 49.093,1014 5.682,1015 6.473,1016 6.549,1017 5.346,1018 5.259,1019 7.581,1020 3.158,1021 18.94,1022 5.208,1023 17.821,1024 1.532,1025 1.596,1026 1.594,1027 1.524,1028 1.527,1029 1.993,1030 0.212,1031 4.609,1032 1.444,1033 4.108,1034 4.157,1035 4.709,1036 3.924,1037 7.725,1038 3.947,1039 3.987,1040 3.976,1041 4.079,1042 3.873,1043 7.428,1044 3.863,1045 3.853,1046 3.848,1047 3.856,1048 3.764,1049 6.999,1050 3.687,1051 3.745,1052 3.742,1053 3.687,1054 3.581,1055 6.469,1056 3.566,1057 3.337,1058 3.419,1059 3.259,1060 3.088,1061 6.449,1062 3.118,1063 3.202,1064 3.226,1065 3.17,1066 2.985,1067 5.271,1068 3.007,1069 3.076,1070 3.107,1071 2.967,1072 2.854,1073 4.858,1074 2.856,1075 2.988,1076 3.09,1077 2.872,1078 2.746,1079 4.616,1080 2.749,1081 0.138,1082 0.132,1083 0.202,1084 0.124,1085 0.096,1086 4.704,1087 0.135,1088 4.473,1089 0.046,1090 6.864,1091 0.336,1092 4.231,1093 0.094,1094 3.259,1095 4.581,1096 1.579,1097 11.429,1098 3.208,1099 1.897,1100 1.883,1101 1.991,1102 2.008,1103 1.223,1104 2.006,1105 1.797,1106 1.751,1107 1.863,1108 2.004,1109 1.065,1110 1.966,1111 1.654,1112 1.676,1113 1.81,1114 1.856,1115 0.998,1116 1.873,1117 1.557,1118 1.532,1119 1.651,1120 1.803,1121 0.763,1122 1.779,1123 1.446,1124 1.418,1125 1.381,1126 1.677,1127 0.581,1128 1.684,1129 1.129,1130 1.078,1131 1.322,1132 1.423,1133 0.439,1134 1.399,1135 1.017,1136 1.014,1137 1.151,1138 1.26,1139 0.206,1140 1.233,1141 0.883,1142 0.839,1143 1.141,1144 1.222,1145 0.17,1146 1.208,1147 4.234,1149 5.595,1150 3.045,1151 7.132,1152 5.416,1153 8.748,1154 7.526,1155 10.407,1161 5.75,1162 20.016,1163 -0.394,1164 1.705,1165 10.518,1166 -2.694,1170 32.48,1171 95.414,1172 216.45,1173 255.121,1174 265.121,1175 267.121,1176 267.121,1177 85.14,1178 7.767,1179 191.78,1180 200.16,1181 22,1182 12.776,1183 4.322,1184 3.585,1185 49.684,1186 143,1187 123,1188 0.169,1189 200.718,1190 345.44,1191 481.512,1192 27544,1194 22.173,1195 0.715,1196 0.537,1197 22.423,1198 16.637,1199 14.749,1200 0.434,1201 0.306,1202 8.895,1203 13.088,1204 8.718,1205 7.12,1206 15.602,1207 10.418,1208 14.266,1209 0.285,1210 0.161,1211 15.575,1212 8.07,1213 11.465,1214 0.176,1215 0.084,1216 12.313,1217 5.484,1218 9.843,1219 0.114,1220 0.045,1221 10.703,1222 3.9,1223 7.159,1224 0.072,1225 0.025,1226 7.896,1227 2.504,1228 0.271,1229 104,1230 0.213,1231 29.378,1232 0.449,1233 168,1234 652.063,1235 232.226,1236 626.73,1237 830.73,1238 576,1239 199,1240 569.71,1241 274.217,1242 603.547,1243 888.46,1244 564,1245 8.495}
{0 CHEMBL611787,1 1.893,2 12.667,3 0.36,4 0.13,5 108.532,6 8.969,7 0.485,8 4.025,9 4.117,10 3.875,11 3.518,12 5.228,13 3.538,14 4.552,15 4.677,16 4.165,17 3.911,18 6.02,19 3.913,20 4.771,21 4.942,22 4.18,23 4.005,24 5.992,25 3.975,26 4.85,27 5.033,28 4.205,29 3.961,30 6.343,31 3.932,32 4.751,33 4.944,34 4.079,35 3.896,36 5.98,37 3.837,38 4.678,39 4.836,40 3.993,41 3.765,42 6.181,43 3.752,44 4.594,45 4.787,46 3.761,47 3.636,48 5.899,49 3.597,50 4.395,51 4.582,52 3.7,53 3.555,54 5.613,55 3.502,56 0.242,57 0.791,58 10.334,59 4.115,60 34.849,61 4.163,62 0.802,63 1.211,64 15.941,65 6.908,66 80.413,67 7.712,68 0.713,69 1.395,70 25.044,71 9.344,72 85.133,73 10.6,74 1.254,75 1.377,76 28.946,77 9.314,78 174.769,79 10.48,80 0.903,81 1.27,82 31.019,83 9.102,84 104.316,85 9.528,86 1.065,87 1.103,88 28.242,89 8.185,90 156.202,91 8.305,92 0.978,93 0.985,94 23.359,95 6.926,96 112.274,97 7.526,98 0.588,99 0.872,100 19.611,101 6.333,102 81.727,103 7.282,104 26,105 48,106 0.317,107 0.722,108 0.865,109 0.9,110 0.906,111 0.906,112 3.44,113 0.941,114 -4.05,115 -4,116 -3.79,119 37.5,121 1,122 1,125 1,127 1,130 2,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 7,159 6,160 4,162 1,163 5,165 3,166 7,168 2,169 5,170 1,171 1,173 3,175 2,177 4,178 12,180 2,181 3,182 1,183 4,187 1,188 12,192 3,198 11,201 3,203 3,206 1,208 2,211 4,212 7,215 1,217 2,220 3,221 2,224 1,229 1,232 5,234 6,235 1,237 1,238 3,240 2,243 6,246 1424,247 19.861,248 19.861,249 19.861,250 19.861,251 19.861,252 17.295,253 21.328,254 11.442,255 20.235,256 16.259,257 16.259,258 16.259,259 16.259,260 16.259,261 12.293,262 25.412,263 5.395,264 16.896,265 3.692,266 1.271,267 0.417,268 0.208,269 0.167,270 0.167,271 4.13,274 1,275 1,276 827,277 4,280 157.989,281 202.03,282 133.186,284 1.978,285 51.024,286 0.75,287 0.83,288 0.83,289 0.3,291 0.67,292 0.5,293 0.55,294 68,295 380,296 4.704,297 4.473,298 6.802,299 4.23,300 3.24,301 4.58,302 1.579,303 11.205,304 3.209,305 4.631,306 3.555,307 6.763,308 4.149,309 3.21,310 4.488,311 0.98,312 11.102,313 3.012,314 4.278,315 3.333,316 6.341,317 3.877,318 2.886,319 3.899,320 0.522,321 9.482,322 2.856,323 3.953,324 2.922,325 6.047,326 3.699,327 2.726,328 3.28,330 8.648,331 2.655,332 3.556,333 2.677,334 5.395,335 3.233,336 2.285,337 2.777,339 6.919,340 2.16,341 3.356,342 2.496,343 4.904,344 2.922,345 1.924,346 2.592,347 5.216,348 1.905,349 3.05,350 1.949,351 4.854,352 2.671,353 1.724,354 2.323,355 5.116,356 1.628,357 2.936,358 1.549,359 4.104,360 2.451,361 1.547,362 2.021,363 3.672,364 1.398,365 2.861,366 1.543,367 4.011,368 2.392,369 1.414,370 2.015,371 3.075,372 1.377,373 2.557,374 1.434,375 3.877,376 2.06,377 1.096,378 1.523,379 2.959,380 1.053,381 2.536,382 1.311,383 3.598,384 2.011,385 1.033,386 1.485,387 2.599,388 1.004,389 2.336,390 1.111,391 3.388,392 1.771,393 0.838,394 1.181,395 1.928,396 0.779,397 1.995,398 0.876,399 3.29,400 1.577,401 0.618,402 0.796,403 1.578,404 0.593,405 1.63,406 0.707,407 3.259,408 1.429,409 0.518,410 0.556,411 1.283,412 0.466,413 1.095,414 0.534,415 2.82,416 0.749,417 -0.189,418 -0.225,419 -0.435,420 -0.175,421 13.9,422 0.463,423 0.92,424 0.031,425 41.25,426 1.375,427 20.5,428 0.683,429 20.75,430 0.692,431 22.581,432 0.753,433 32.9,434 0.685,435 33.456,436 1.115,437 8.025,438 0.267,439 6.313,440 0.21,441 0.125,442 0.06,443 0.317,447 0.748,448 1.488,449 0.744,450 1.315,451 0.777,452 0.9,453 0.556,454 0.96,455 0.786,456 0.919,457 0.485,458 0.938,459 0.912,460 1.229,461 0.971,462 1.211,463 0.823,464 1.125,465 1.029,466 0.934,467 0.991,468 0.916,469 0.919,470 0.967,471 1.26,472 0.977,473 1.37,474 1.149,475 1.174,476 1.012,477 1.396,478 1.08,479 1.402,480 1.245,481 1.478,482 1.077,483 1.442,484 0.748,485 1.177,486 0.83,487 1.491,488 1.003,489 1.164,490 1.083,491 1.067,492 1.13,493 1.244,494 1.067,495 7,496 0.213,497 4.222,498 2.632,499 1.816,500 0.993,501 0.624,502 0.415,503 0.312,504 0.229,505 13007,506 44634,507 2.059,508 37.5,510 9,512 2,513 4,515 3,518 1.723,519 1.905,520 3.599,521 1.763,522 1,524 90.841,525 1.893,526 4.314,527 5.168,528 5.377,529 5.418,530 5.418,531 3.029,532 4.64,533 4.883,534 3.811,535 1657.92,536 8.486,537 23863.6,538 1,539 268.078,540 1.615,541 4.82,542 0.212,543 0.009,544 0.088,545 0.057,546 0.041,547 0.027,548 0.017,549 0.015,550 0.012,551 0.008,552 0.486,553 0.17,554 0.88,555 0.594,556 156.506,557 -0.047,558 -0.25,559 0.193,560 -0.155,561 -0.172,562 0.026,563 0.325,564 0.165,566 0.034,567 0.248,568 -0.043,569 -0.066,570 -0.214,571 -0.026,572 -0.195,573 -0.044,574 -0.13,575 0.072,576 0.021,577 0.023,578 0.054,579 0.167,580 -0.005,581 -0.245,582 0.028,583 -0.129,584 -0.007,585 -0.159,586 -0.005,587 -0.13,588 -0.132,589 -0.226,590 -0.142,591 -0.048,592 -0.109,593 -0.226,594 0.159,595 -0.179,596 0.092,597 -0.268,598 -0.053,599 -0.174,600 -0.155,601 0.001,602 -0.068,603 -0.174,604 -0.031,605 5.262,606 5.099,607 0.667,608 29.898,609 1.034,610 1.134,611 2.823,612 7.972,613 0.678,614 3.526,615 3.892,616 4.143,617 4.407,618 4.533,619 4.605,620 4.682,621 4.796,622 4.787,623 4.82,624 7.575,625 0.668,626 430.49,627 3.526,628 5.094,629 5.948,630 6.845,631 7.714,632 8.612,633 9.488,634 10.386,635 11.266,636 12.165,637 12.5,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 48,667 20,668 1,669 33,671 51,672 18,673 11,674 2,675 4,676 1,677 4,678 5,683 2,684 1,686 2,688 14,689 4,690 1,691 4,693 1,694 3,695 2,697 1,698 1,700 18,701 10,702 4,703 12,704 1,706 1,707 6,711 0.75,712 5,717 1,721 2,722 2,726 2,732 3,733 1,739 30,740 1,742 1,743 1,744 2,745 1,746 1,747 2,754 10.4,756 1,757 3,758 1,761 15.75,762 8.25,763 6.417,764 2.562,765 3.294,766 1.427,767 0.976,768 5.536,769 11.01,770 3.829,771 4.474,772 4.995,773 5.575,774 5.989,775 6.257,776 6.577,777 6.907,778 6.927,779 7.081,780 1,781 46,782 11.51,783 5.435,784 8.186,785 20.362,786 16.999,787 2.686,788 80.583,789 164.795,790 102.81,791 101.558,793 120.687,795 7.511,796 95.299,797 285.482,798 101.558,800 23.532,801 97.266,802 209.624,803 15.847,804 2.328,805 141.253,807 164.795,808 196.857,809 120.687,810 7.511,812 129.482,813 147.455,814 8.545,815 46.528,816 81.02,817 76.82,819 164.795,820 222.245,821 102.81,823 7.511,824 164.795,825 21.205,826 75.994,827 16.405,828 203.94,829 164.795,830 222.245,831 102.81,833 0.595,834 0.344,835 0.183,836 0.09,837 24,838 11,839 0.118,840 6,841 1,842 1.1,843 4.16,844 264.586,845 0.1,846 20,847 145.207,848 1,849 20.442,850 8.125,851 4.373,852 1.085,853 220.345,854 8.57,855 12.337,856 -0.213,857 1.832,858 91.986,859 489.85,860 45,862 -4.346,863 36.258,864 3.738,866 -0.977,867 49.625,868 54.448,869 0.339,870 0.772,871 0.925,872 0.963,873 0.97,874 0.97,875 5.088,876 1.547,877 5.979,878 5.116,879 4.575,880 5.162,881 2.134,882 6.838,883 4.502,884 6.337,885 1.414,886 7.576,887 3.672,888 4.369,889 5.255,891 7.997,892 4.293,893 7.691,894 1.096,895 9.279,896 3.075,897 6.263,898 7.489,899 2.736,900 11.016,901 6.132,902 9.086,903 1.033,904 11.045,905 2.959,906 6.858,907 8.407,909 12.95,910 6.718,911 10.516,912 0.838,913 12.848,914 2.599,915 8.267,916 10.17,917 3.522,918 15.542,919 8.084,920 11.969,921 0.618,922 14.677,923 1.928,924 9.187,925 11.426,927 17.755,928 8.988,929 13.44,930 0.518,931 16.524,932 1.578,933 10.429,934 13.026,935 4.383,936 20.217,937 10.193,938 3.24,939 -0.189,940 18.382,941 1.283,942 11.484,943 14.423,945 22.539,946 11.227,947 3.21,948 11.205,949 20.25,950 -0.435,951 12.666,952 15.963,953 5.276,954 24.959,955 12.378,956 2.886,957 11.102,958 22.125,959 4.58,960 13.778,961 17.42,963 27.326,964 13.466,965 2.726,966 9.482,967 24.005,968 4.488,969 14.941,970 18.938,971 6.182,972 29.734,973 14.601,974 2.285,975 8.648,976 25.89,977 3.899,978 16.078,979 20.423,981 32.121,982 15.713,983 1.924,984 6.919,985 27.778,986 3.28,987 17.237,988 21.934,989 7.092,990 34.526,991 16.845,992 1.724,993 5.216,994 29.668,995 2.777,996 18.386,997 23.431,999 36.924,1000 17.971,1001 12302,1002 22977,1003 21.671,1004 32.523,1005 50.577,1006 52.23,1007 51.814,1008 50.049,1009 50.119,1010 67.033,1011 6.161,1012 149.565,1013 48.186,1014 5.666,1015 6.473,1016 6.487,1017 5.305,1018 5.24,1019 7.58,1020 3.158,1021 18.565,1022 5.209,1023 16,1024 1.533,1025 1.583,1026 1.57,1027 1.517,1028 1.519,1029 2.031,1030 0.187,1031 4.532,1032 1.46,1033 4.119,1034 4.171,1035 4.709,1036 3.958,1037 7.725,1038 3.975,1039 3.987,1040 3.977,1041 4.084,1042 3.878,1043 7.428,1044 3.863,1045 3.862,1046 3.88,1047 3.856,1048 3.771,1049 6.999,1050 3.732,1051 3.771,1052 3.757,1053 3.723,1054 3.677,1055 6.468,1056 3.611,1057 3.328,1058 3.41,1059 3.254,1060 3.073,1061 5.271,1062 3.107,1063 3.193,1064 3.205,1065 3.169,1066 2.984,1067 4.851,1068 3.005,1069 3.016,1070 3.104,1071 2.909,1072 2.821,1073 4.612,1074 2.812,1075 2.975,1076 3.047,1077 2.836,1078 2.746,1079 4.544,1080 2.749,1081 0.143,1082 0.136,1083 0.206,1084 0.128,1085 0.098,1086 4.704,1087 0.139,1088 4.473,1089 0.048,1090 6.802,1091 0.34,1092 4.23,1093 0.097,1094 3.24,1095 4.58,1096 1.579,1097 11.205,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.011,1103 1.256,1104 2.007,1105 1.809,1106 1.761,1107 1.889,1108 2.004,1109 1.065,1110 1.974,1111 1.679,1112 1.69,1113 1.832,1114 1.86,1115 1.039,1116 1.88,1117 1.593,1118 1.538,1119 1.727,1120 1.796,1121 0.765,1122 1.783,1123 1.496,1124 1.507,1125 1.356,1126 1.672,1127 0.588,1128 1.702,1129 1.152,1130 1.081,1131 1.335,1132 1.39,1133 0.366,1134 1.387,1135 1.041,1136 1.039,1137 1.221,1138 1.282,1139 0.33,1140 1.258,1141 0.883,1142 0.839,1143 1.142,1144 1.222,1145 0.194,1146 1.21,1147 4.205,1149 5.557,1150 3.045,1151 7.086,1152 5.352,1153 8.695,1154 7.424,1155 10.345,1161 5.8,1162 9.662,1163 0.401,1164 1.787,1165 4.955,1166 -0.306,1170 32.05,1171 90.841,1172 207.059,1173 248.078,1174 258.078,1175 260.078,1176 260.078,1177 72.948,1178 7.716,1179 162.32,1180 170.7,1181 22,1182 12.692,1183 4.392,1184 3.7,1185 47.364,1186 140,1187 114,1188 0.165,1189 199.39,1190 342.52,1191 478.272,1192 26475,1194 21.303,1195 0.71,1196 0.545,1197 21.553,1198 16.359,1199 14.338,1200 0.434,1201 0.314,1202 8.882,1203 12.854,1204 8.66,1205 7.133,1206 15.192,1207 10.355,1208 13.726,1209 0.286,1210 0.168,1211 15.035,1212 8.066,1213 11.061,1214 0.178,1215 0.09,1216 11.909,1217 5.579,1218 9.415,1219 0.116,1220 0.049,1221 10.275,1222 3.986,1223 6.729,1224 0.073,1225 0.028,1226 7.474,1227 2.581,1228 0.266,1229 100.142,1230 0.215,1231 28.727,1232 0.434,1233 162,1234 580.178,1235 219.804,1236 571.028,1237 763.33,1238 524,1239 191,1240 528.983,1241 259.13,1242 568.756,1243 830.85,1244 531,1245 6.081}
{0 CHEMBL611788,1 1.872,2 12.667,3 0.67,4 0.448,5 107.569,6 8.65,7 0.485,8 4.058,9 4.156,10 3.879,11 3.541,12 5.222,13 3.553,14 4.609,15 4.746,16 4.17,17 3.946,18 6.023,19 3.937,20 4.855,21 5.043,22 4.188,23 4.056,24 6.004,25 4.01,26 4.942,27 5.146,28 4.212,29 4.012,30 6.359,31 3.965,32 4.833,33 5.037,34 4.093,35 3.953,36 5.989,37 3.877,38 4.771,39 4.94,40 4.011,41 3.831,42 6.21,43 3.801,44 4.694,45 4.898,46 3.779,47 3.699,48 5.953,49 3.648,50 4.499,51 4.705,52 3.712,53 3.611,54 5.664,55 3.543,56 0.234,57 0.816,58 11.599,59 4.319,60 34.448,61 4.767,62 0.816,63 1.261,64 18.612,65 7.513,66 86.023,67 8.96,68 0.73,69 1.468,70 29.188,71 10.13,72 88.564,73 12.383,74 1.324,75 1.442,76 34.234,77 10.143,78 182.024,79 12.418,80 0.944,81 1.337,82 35.578,83 9.8,84 110.243,85 10.981,86 1.134,87 1.178,88 32.613,89 8.771,90 170.947,91 9.506,92 1.055,93 1.048,94 26.868,95 7.369,96 126.028,97 8.649,98 0.637,99 0.927,100 22.989,101 6.797,102 90.322,103 8.422,104 26,105 48,106 0.312,107 0.697,108 0.836,109 0.894,110 0.901,111 0.901,112 3.44,113 0.97,114 -4.13,115 -4.07,116 -3.85,119 36,121 3,122 1,125 1,127 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,152 1,153 1,154 1,157 7,159 6,160 4,162 1,163 5,165 3,166 7,168 2,169 5,170 1,171 1,173 3,175 2,177 4,178 12,180 2,181 3,182 1,183 4,187 1,188 12,192 3,198 11,201 3,203 3,206 1,208 2,211 4,212 7,215 1,217 2,220 3,221 2,224 1,229 1,232 5,234 6,235 1,237 1,238 3,240 2,243 6,246 1424,247 19.861,248 19.861,249 19.861,250 19.861,251 19.861,252 17.45,253 18.937,254 11.442,255 20.235,256 16.259,257 16.259,258 16.259,259 16.259,260 16.259,261 12.571,262 16.132,263 5.395,264 16.896,265 3.772,266 1.46,267 0.63,268 0.28,269 0.24,270 0.24,271 4.13,274 1,275 1,276 827,277 4,280 157.989,281 202.03,282 133.186,284 1.978,285 51.477,286 0.75,287 0.83,288 0.83,289 0.7,291 0.67,292 0.5,293 0.61,294 68,295 380,296 4.704,297 4.473,298 6.802,299 4.23,300 3.24,301 4.579,302 1.579,303 11.205,304 3.209,305 4.629,306 3.555,307 6.763,308 4.149,309 3.21,310 4.488,311 0.98,312 11.102,313 3.012,314 4.278,315 3.277,316 6.341,317 3.877,318 2.886,319 3.899,321 9.482,322 2.856,323 3.898,324 2.796,325 6.047,326 3.699,327 2.726,328 3.237,330 8.648,331 2.655,332 3.487,333 2.676,334 5.395,335 3.233,336 2.285,337 2.605,339 6.919,340 2.16,341 3.355,342 2.377,343 4.904,344 2.922,345 1.924,346 2.581,347 5.216,348 1.905,349 3.05,350 1.846,351 4.854,352 2.671,353 1.724,354 2.323,355 5.116,356 1.628,357 2.936,358 1.548,359 4.104,360 2.451,361 1.547,362 2.02,363 3.672,364 1.398,365 2.861,366 1.543,367 4.011,368 2.392,369 1.414,370 2.014,371 3.075,372 1.377,373 2.551,374 1.376,375 3.877,376 2.06,377 1.096,378 1.514,379 2.959,380 1.053,381 2.458,382 1.311,383 3.598,384 2.011,385 1.033,386 1.44,387 2.599,388 1.004,389 2.156,390 1.017,391 3.388,392 1.771,393 0.838,394 1.06,395 1.928,396 0.779,397 1.73,398 0.836,399 3.29,400 1.577,401 0.618,402 0.677,403 1.578,404 0.593,405 1.589,406 0.637,407 3.259,408 1.429,409 0.518,410 0.544,411 1.283,412 0.466,413 1.095,414 0.499,415 2.82,416 0.749,417 -0.189,418 -0.225,419 -0.435,420 -0.175,421 13.9,422 0.463,423 0.92,424 0.031,425 40.25,426 1.342,427 19.5,428 0.65,429 20.75,430 0.692,431 24.177,432 0.806,433 33.5,434 0.67,435 31.86,436 1.062,437 7.545,438 0.251,439 6.794,440 0.226,441 0.125,442 0.06,443 0.317,447 0.738,448 1.53,449 0.756,450 1.346,451 0.756,452 0.942,453 0.535,454 0.991,455 0.782,456 0.949,457 0.455,458 0.967,459 0.864,460 1.216,461 0.939,462 1.191,463 0.76,464 1.113,465 0.998,466 0.902,467 0.942,468 0.876,469 0.859,470 0.927,471 1.254,472 0.989,473 1.407,474 1.182,475 1.143,476 1.03,477 1.439,478 1.087,479 1.478,480 1.275,481 1.547,482 1.109,483 1.476,484 0.748,485 1.184,486 0.819,487 1.556,488 1.01,489 1.161,490 1.038,491 1.042,492 1.07,493 1.259,494 1.031,495 7,496 0.213,497 4.222,498 2.632,499 1.816,500 0.993,501 0.624,502 0.415,503 0.312,504 0.229,505 13007,506 43347,507 2.059,508 40,509 2,510 7,512 2,513 4,515 5,518 1.723,519 1.905,520 3.599,521 1.763,522 1,524 93.576,525 1.872,526 4.184,527 5.014,528 5.364,529 5.404,530 5.404,531 3.029,532 4.64,533 4.883,534 3.811,535 1657.92,536 8.486,537 23863.6,538 1,539 282.193,540 1.615,541 4.82,542 0.212,543 0.009,544 0.088,545 0.057,546 0.041,547 0.027,548 0.017,549 0.015,550 0.012,551 0.008,552 0.486,553 0.17,554 0.88,555 0.594,556 156.506,557 -0.036,558 -0.255,559 0.197,560 -0.152,561 -0.147,562 0.024,563 0.334,564 0.144,565 0.023,566 0.027,567 0.27,568 -0.034,569 -0.04,570 -0.202,571 0.003,572 -0.174,573 -0.008,574 -0.104,575 0.087,576 0.033,577 0.07,578 0.081,579 0.181,580 0.045,581 -0.239,582 0.022,583 -0.151,584 -0.027,585 -0.162,586 -0.027,587 -0.161,588 -0.121,589 -0.28,590 -0.162,591 -0.091,592 -0.15,593 -0.246,594 0.16,595 -0.202,596 0.078,597 -0.289,598 -0.078,599 -0.17,600 -0.115,601 0.01,602 -0.035,603 -0.181,604 -0.005,605 5.228,606 5.123,607 0.667,608 29.898,609 1.03,610 1.137,611 2.896,612 8.386,613 0.666,614 3.526,615 3.892,616 4.143,617 4.407,618 4.533,619 4.605,620 4.682,621 4.796,622 4.787,623 4.82,624 7.575,625 0.652,626 432.51,627 3.526,628 5.094,629 5.948,630 6.845,631 7.714,632 8.612,633 9.488,634 10.386,635 11.266,636 12.165,637 12,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 50,667 19,668 1,669 33,671 53,672 18,673 11,674 2,675 4,676 1,677 4,678 5,683 4,684 1,686 4,688 12,689 6,690 1,691 3,693 1,694 3,697 1,698 1,700 20,701 10,702 4,703 12,704 1,706 1,707 6,711 0.75,712 5,717 1,721 2,722 2,732 3,733 1,739 30,740 1,742 1,743 1,744 4,745 1,746 1,747 2,754 10,756 1,757 3,758 1,761 15.75,762 8.583,763 6.417,764 2.812,765 2.908,766 1.377,767 0.972,768 5.711,769 10.624,770 3.807,771 4.451,772 4.96,773 5.536,774 5.946,775 6.181,776 6.468,777 6.763,778 6.685,779 6.782,780 1,781 46,782 11.523,783 5.432,784 8.153,785 20.581,786 17.355,787 2.653,788 79.583,789 188.338,790 88.927,791 101.558,793 120.687,795 7.511,796 81.416,797 309.024,798 101.558,800 28.601,801 78.313,802 209.624,803 15.847,804 2.328,805 164.795,807 188.338,808 182.974,809 120.687,810 7.511,812 129.482,813 170.997,814 8.545,815 51.597,816 81.02,817 57.868,819 188.338,820 222.245,821 88.927,823 7.511,824 188.338,825 26.274,826 57.041,827 16.405,828 203.94,829 188.338,830 222.245,831 88.927,833 0.595,834 0.344,835 0.183,836 0.09,837 24,838 11,839 0.113,840 6,841 1,842 1.1,843 4.16,844 264.586,845 0.1,846 20,847 145.207,848 1,849 20.691,850 8.281,851 4.473,852 1.17,853 220.345,854 8.682,855 12.423,856 -0.164,857 1.918,858 91.986,859 499.509,860 44,862 -4.312,863 36.32,866 -0.959,867 51.509,868 56.863,869 0.332,870 0.741,871 0.888,872 0.95,873 0.957,874 0.957,875 5.069,876 1.547,877 5.979,878 5.116,879 4.575,880 5.139,881 2.068,882 6.838,883 4.502,884 6.314,885 1.414,886 7.576,887 3.672,888 4.369,889 5.255,891 7.997,892 4.293,893 7.669,894 1.096,895 9.279,896 3.075,897 6.263,898 7.467,899 2.727,900 11.016,901 6.132,902 9.065,903 1.033,904 11.045,905 2.959,906 6.858,907 8.401,909 12.95,910 6.718,911 10.496,912 0.838,913 12.848,914 2.599,915 8.267,916 10.155,917 3.52,918 15.542,919 8.084,920 11.951,921 0.618,922 14.677,923 1.928,924 9.187,925 11.419,927 17.755,928 8.988,929 13.423,930 0.518,931 16.524,932 1.578,933 10.429,934 13.017,935 4.383,936 20.217,937 10.193,938 3.24,939 -0.189,940 18.382,941 1.283,942 11.484,943 14.417,945 22.539,946 11.227,947 3.21,948 11.205,949 20.25,950 -0.435,951 12.666,952 15.958,953 5.276,954 24.959,955 12.378,956 2.886,957 11.102,958 22.125,959 4.579,960 13.778,961 17.416,963 27.326,964 13.466,965 2.726,966 9.482,967 24.005,968 4.488,969 14.941,970 18.935,971 6.182,972 29.734,973 14.601,974 2.285,975 8.648,976 25.89,977 3.899,978 16.078,979 20.42,981 32.121,982 15.713,983 1.924,984 6.919,985 27.778,986 3.237,987 17.237,988 21.931,989 7.092,990 34.526,991 16.845,992 1.724,993 5.216,994 29.668,995 2.605,996 18.386,997 23.428,999 36.924,1000 17.971,1001 12302,1002 22651,1003 21.671,1004 33.284,1005 50.029,1006 52.059,1007 51.814,1008 50.049,1009 50.119,1010 65.966,1011 5.118,1012 149.565,1013 48.186,1014 5.682,1015 6.473,1016 6.487,1017 5.305,1018 5.24,1019 7.579,1020 3.158,1021 18.565,1022 5.209,1023 16,1024 1.516,1025 1.578,1026 1.57,1027 1.517,1028 1.519,1029 1.999,1030 0.155,1031 4.532,1032 1.46,1033 4.119,1034 4.172,1035 4.709,1036 3.953,1037 7.725,1038 3.969,1039 3.987,1040 3.978,1041 4.082,1042 3.878,1043 7.428,1044 3.863,1045 3.862,1046 3.886,1047 3.856,1048 3.77,1049 6.999,1050 3.724,1051 3.773,1052 3.76,1053 3.703,1054 3.668,1055 6.468,1056 3.606,1057 3.337,1058 3.42,1059 3.26,1060 3.088,1061 5.27,1062 3.118,1063 3.196,1064 3.219,1065 3.169,1066 2.985,1067 4.846,1068 3.006,1069 3.046,1070 3.106,1071 2.922,1072 2.852,1073 4.611,1074 2.841,1075 2.985,1076 3.084,1077 2.846,1078 2.746,1079 4.5,1080 2.749,1081 0.143,1082 0.136,1083 0.206,1084 0.128,1085 0.098,1086 4.704,1087 0.139,1088 4.473,1089 0.048,1090 6.802,1091 0.34,1092 4.23,1093 0.097,1094 3.24,1095 4.579,1096 1.579,1097 11.205,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.016,1103 1.305,1104 2.008,1105 1.814,1106 1.765,1107 1.911,1108 2.004,1109 1.25,1110 1.982,1111 1.696,1112 1.695,1113 1.891,1114 1.875,1115 1.064,1116 1.897,1117 1.612,1118 1.552,1119 1.76,1120 1.82,1121 0.803,1122 1.812,1123 1.509,1124 1.521,1125 1.393,1126 1.701,1127 0.626,1128 1.736,1129 1.176,1130 1.099,1131 1.342,1132 1.436,1133 0.455,1134 1.431,1135 1.043,1136 1.041,1137 1.24,1138 1.289,1139 0.343,1140 1.267,1141 0.883,1142 0.839,1143 1.143,1144 1.223,1145 0.196,1146 1.211,1147 4.205,1149 5.557,1150 3.045,1151 7.086,1152 5.352,1153 8.695,1154 7.424,1155 10.345,1161 5.818,1162 9.672,1163 2.142,1164 1.812,1165 5.006,1166 0.055,1170 32.577,1171 93.576,1172 209.199,1173 250.683,1174 268.193,1175 270.193,1176 270.193,1177 74.766,1178 7.716,1179 162.32,1180 170.7,1181 22,1182 12.692,1183 4.322,1184 3.585,1185 47.364,1186 140,1187 114,1188 0.165,1189 202.318,1190 345.16,1191 485.415,1192 26475,1194 21.303,1195 0.71,1196 0.554,1197 21.553,1198 16.618,1199 14.338,1200 0.434,1201 0.323,1202 9.199,1203 12.854,1204 8.972,1205 7.387,1206 15.192,1207 10.671,1208 13.726,1209 0.286,1210 0.176,1211 15.035,1212 8.451,1213 11.061,1214 0.178,1215 0.097,1216 11.909,1217 6.001,1218 9.415,1219 0.116,1220 0.054,1221 10.275,1222 4.407,1223 6.729,1224 0.073,1225 0.031,1226 7.474,1227 2.873,1228 0.266,1229 100.142,1230 0.215,1231 28.727,1232 0.434,1233 162,1234 570.178,1235 219.804,1236 560.334,1237 748.39,1238 514,1239 191,1240 517.983,1241 259.13,1242 557.111,1243 813.76,1244 520,1245 7.215}
{0 CHEMBL611789,1 2.074,2 12.697,3 -0.384,4 0.147,5 119.128,6 11.847,7 0.444,8 4.094,9 4.166,10 4.128,11 3.578,12 5.351,13 3.595,14 4.625,15 4.718,16 4.561,17 3.954,18 6.142,19 3.979,20 4.872,21 4.999,22 4.59,23 4.085,24 6.294,25 4.073,26 4.95,27 5.097,28 4.718,29 4.066,30 6.516,31 4.046,32 4.879,33 5.036,34 4.684,35 4.073,36 6.276,37 3.991,38 4.815,39 4.939,40 4.578,41 3.934,42 6.47,43 3.916,44 4.753,45 4.891,46 4.527,47 3.87,48 6.35,49 3.818,50 4.575,51 4.721,52 4.338,53 3.784,54 6.038,55 3.699,56 0.419,57 0.807,58 3.799,59 4.742,60 64.975,61 3.45,62 1.073,63 1.236,64 10.158,65 7.197,66 116.596,67 6.299,68 1.51,69 1.413,70 18.064,71 11.006,72 176.26,73 9.167,74 1.827,75 1.441,76 24.825,77 11.004,78 241.414,79 9.192,80 1.578,81 1.357,82 44.056,83 12.902,84 183.244,85 9.888,86 1.597,87 1.206,88 46.82,89 12.193,90 237.133,91 8.763,92 1.614,93 1.104,94 30.156,95 10.502,96 213.97,97 7.174,98 1.072,99 1.009,100 42.566,101 10.314,102 156.863,103 7.545,104 65,105 54,106 0.346,107 0.747,108 0.858,109 0.907,110 0.921,111 0.921,112 3.532,113 0.977,114 -2.9,115 -2.91,116 -2.81,119 34,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,142 1,147 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,160 3,162 1,163 5,165 3,166 4,168 3,169 1,170 1,171 4,172 1,173 3,175 2,177 6,178 6,180 2,181 5,182 1,183 4,186 1,187 3,188 5,190 4,192 1,197 1,198 7,200 1,201 8,202 1,211 5,212 4,215 4,216 2,217 1,219 1,224 1,227 2,228 1,229 2,231 1,234 6,235 4,237 1,238 5,240 2,246 1896,247 21.361,248 21.361,249 21.361,250 21.361,251 21.361,252 18.925,253 22.479,254 12.033,255 22.15,256 17.684,257 17.684,258 17.684,259 17.684,260 17.684,261 13.919,262 25.628,263 5.66,264 19.182,265 3.57,266 1.163,267 0.495,268 0.2,269 0.12,270 0.12,271 4.216,276 902,277 4.183,280 174.832,281 223.586,282 146.543,284 1.967,285 72.597,286 0.25,287 0.5,288 0.5,289 0.3,291 0.33,292 0.5,293 0.34,294 76.4,295 419,296 4.705,297 4.473,298 6.931,299 4.246,300 3.311,301 4.609,302 1.579,303 11.643,304 3.209,305 4.662,306 3.588,307 6.764,308 4.21,309 3.234,310 4.489,311 1.041,312 11.104,313 3.041,314 4.278,315 3.552,316 6.539,317 3.953,318 3.02,319 3.899,320 0.98,321 10.167,322 2.858,323 4.153,324 3.186,325 6.341,326 3.872,327 2.882,328 3.365,330 9.48,331 2.802,332 3.71,333 2.715,334 5.902,335 3.332,336 2.428,337 2.989,339 7.988,340 2.204,341 3.491,342 2.676,343 5.247,344 2.929,345 2.113,346 2.845,347 5.98,348 1.908,349 3.357,350 2.47,351 5.016,352 2.89,353 1.941,354 2.592,355 5.877,356 1.748,357 3.043,358 2.242,359 4.868,360 2.816,361 1.881,362 2.121,363 5.163,364 1.465,365 2.861,366 1.968,367 4.793,368 2.477,369 1.587,370 2.015,371 4.749,372 1.402,373 2.744,374 1.543,375 4.145,376 2.392,377 1.414,378 1.781,379 3.07,380 1.377,381 2.55,382 1.469,383 3.894,384 2.051,385 1.121,386 1.533,387 3.005,388 1.046,389 2.524,390 1.311,391 3.694,392 2.006,393 1.046,394 1.51,395 2.616,396 0.953,397 2.168,398 1.259,399 3.605,400 1.764,401 0.89,402 1.099,403 2.433,404 0.725,405 1.773,406 1.122,407 3.438,408 1.559,409 0.696,410 0.729,411 1.686,412 0.592,413 1.176,414 0.78,415 2.947,416 0.846,417 -0.003,418 -0.004,419 -0.008,420 -0.002,421 16.043,422 0.486,423 1.188,424 0.036,425 42.75,426 1.295,427 19.5,428 0.591,429 23.25,430 0.705,431 30.376,432 0.92,433 36.757,434 0.735,435 36.952,436 1.12,437 8.227,438 0.249,439 7.343,440 0.223,441 0.252,442 0.052,443 0.368,447 0.92,448 1.449,449 0.496,450 0.798,451 0.924,452 0.774,453 0.801,454 1.04,455 0.559,456 0.751,457 0.664,458 0.858,459 1.031,460 1.11,461 0.497,462 0.689,463 0.946,464 0.938,465 1.09,466 0.939,467 0.634,468 0.738,469 1.02,470 0.919,471 1.094,472 0.948,473 1.103,474 1.055,475 1.104,476 0.977,477 1.128,478 1.059,479 1.025,480 1.162,481 1.153,482 1.06,483 1.339,484 0.761,485 1.027,486 0.925,487 1.412,488 0.997,489 1.157,490 1.154,491 1.461,492 1.403,493 1.219,494 1.268,495 8.5,496 0.329,497 5.111,498 3.736,499 2.407,500 1.542,501 0.961,502 0.65,503 0.413,504 0.313,505 15526,506 63642,507 2.001,508 34,510 9,511 1,512 1,513 6,518 1.751,519 1.808,520 3.598,521 3.367,523 1,524 103.709,525 2.074,526 4.481,527 5.149,528 5.444,529 5.524,530 5.524,531 3.037,532 4.802,533 5.019,534 3.819,535 2016.29,536 8.78,537 30343.7,539 282.193,540 1.71,541 4.933,542 0.236,543 0.011,544 0.095,545 0.068,546 0.046,547 0.033,548 0.02,549 0.017,550 0.013,551 0.009,552 0.548,553 0.17,554 0.75,555 0.648,556 175.779,557 -0.168,558 -0.239,559 0.006,560 -0.051,561 -0.238,562 0.05,563 0.116,564 0.059,565 0.009,566 -0.036,567 0.105,568 -0.049,569 -0.028,570 -0.135,571 0.006,572 0.005,573 -0.051,574 -0.045,575 -0.008,576 0.004,577 0.025,578 0.034,579 0.047,580 -0.011,581 -0.061,582 0.027,583 -0.039,584 0.017,585 -0.104,586 0.041,587 0.032,588 -0.09,589 -0.071,590 -0.132,591 0.088,592 -0.091,593 -0.134,594 0.166,595 -0.044,596 0.051,597 -0.121,598 -0.067,599 -0.161,600 -0.181,601 -0.117,602 -0.181,603 -0.126,604 -0.218,605 5.549,606 5.148,607 0.606,608 33.647,609 1.054,610 1.136,611 1.669,612 2.785,613 0.711,614 3.611,615 4.007,616 4.277,617 4.554,618 4.718,619 4.836,620 4.92,621 5.056,622 5.094,623 5.1,624 7.616,625 0.69,626 592.37,627 3.611,628 5.198,629 6.066,630 6.978,631 7.863,632 8.777,633 9.67,634 10.586,635 11.483,636 12.4,637 12,640 1,643 1,644 1,646 3,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,665 1,666 50,667 19,668 1,669 36,671 53,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,700 17,701 13,702 6,703 16,704 2,705 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,738 1,739 33,740 1,742 1,743 3,744 1,745 1,746 2,747 4,753 1,754 16,755 2,756 1,757 3,758 2,761 18.25,762 8.376,763 7,764 2.476,765 2.852,766 1.36,767 0.924,768 6.852,769 10.765,770 3.871,771 4.53,772 5.038,773 5.621,774 6.061,775 6.353,776 6.643,777 6.969,778 7,779 7.067,780 1,781 55,782 12.92,783 6.392,784 8.38,785 21.969,786 18.353,787 2.88,788 95.037,789 129.482,790 130.289,791 101.558,793 217.053,795 64.293,796 65.996,797 346.535,798 101.558,800 20.997,801 163.68,802 208.853,803 7.229,804 14.901,805 162.722,807 129.482,808 167.553,809 217.053,810 7.511,811 56.782,812 129.482,813 112.141,814 104.912,815 36.177,816 81.02,817 57.868,818 56.782,819 129.482,820 318.611,821 73.507,822 56.782,823 7.511,824 129.482,825 19.472,826 105.205,827 16.405,828 300.307,829 129.482,830 318.611,831 73.507,832 56.782,833 0.605,834 0.354,835 0.187,836 0.095,837 27,838 14,839 0.113,840 6,841 1,842 1.1,843 4.238,844 309.841,845 0.1,846 20,847 164.465,848 1,849 24.173,850 9.354,851 4.955,852 0.502,853 316.712,854 6.622,855 12.278,856 -0.265,857 1.331,858 177.352,859 578.382,860 47,862 -4.632,863 36.393,866 -1.115,867 52.676,868 56.797,869 0.368,870 0.794,871 0.912,872 0.965,873 0.979,874 0.979,875 5.159,876 1.881,877 6.12,878 5.877,879 4.691,880 5.218,881 2.31,882 7.011,883 4.55,884 6.417,885 1.587,886 7.743,887 5.163,888 4.575,889 5.38,891 8.186,892 4.394,893 7.781,894 1.414,895 9.467,896 4.749,897 6.412,898 7.539,899 2.87,900 11.237,901 6.182,902 9.181,903 1.121,904 11.248,905 3.07,906 7.057,907 8.482,909 13.167,910 6.803,911 10.613,912 1.046,913 13.064,914 3.005,915 8.446,916 10.215,917 3.593,918 15.794,919 8.145,920 12.067,921 0.89,922 14.902,923 2.616,924 9.4,925 11.479,927 18.009,928 9.07,929 13.537,930 0.696,931 16.757,932 2.433,933 10.638,934 13.068,935 4.417,936 20.499,937 10.266,938 3.311,939 -0.003,940 18.623,941 1.686,942 11.717,943 14.468,945 22.83,946 11.31,947 3.234,948 11.643,949 20.499,950 -0.008,951 12.905,952 16.005,953 5.291,954 25.273,955 12.457,956 3.02,957 11.104,958 22.381,959 4.609,960 14.035,961 17.465,963 27.654,964 13.549,965 2.882,966 10.167,967 24.268,968 4.489,969 15.208,970 18.984,971 6.188,972 30.083,973 14.682,974 2.428,975 9.48,976 26.161,977 3.899,978 16.361,979 20.472,981 32.488,982 15.796,983 2.113,984 7.988,985 28.056,986 3.365,987 17.531,988 21.985,989 7.095,990 34.915,991 16.927,992 1.941,993 5.98,994 29.955,995 2.989,996 18.695,997 23.486,999 37.333,1000 18.052,1001 14884,1002 30319,1003 22.887,1004 35.545,1005 55.478,1006 58.149,1007 58.354,1008 55.331,1009 55.128,1010 71.152,1011 7.2,1012 169.923,1013 50.659,1014 5.683,1015 6.473,1016 6.615,1017 5.363,1018 5.311,1019 7.609,1020 3.158,1021 19.356,1022 5.209,1023 21.397,1024 1.541,1025 1.615,1026 1.621,1027 1.537,1028 1.531,1029 1.976,1030 0.2,1031 4.72,1032 1.407,1033 4.109,1034 4.156,1035 10.695,1036 3.987,1037 7.725,1038 3.956,1039 3.987,1040 3.976,1041 4.709,1042 3.892,1043 7.428,1044 3.864,1045 3.854,1046 3.848,1047 4.063,1048 3.767,1049 6.999,1050 3.69,1051 3.753,1052 3.742,1053 3.856,1054 3.667,1055 6.495,1056 3.574,1057 3.342,1058 3.415,1059 3.703,1060 3.505,1061 6.468,1062 3.173,1063 3.205,1064 3.227,1065 3.221,1066 3.021,1067 6.4,1068 3.015,1069 3.077,1070 3.098,1071 3.168,1072 2.961,1073 5.258,1074 2.891,1075 2.993,1076 3.085,1077 2.957,1078 2.809,1079 4.854,1080 2.782,1081 0.131,1082 0.124,1083 0.193,1084 0.118,1085 0.092,1086 4.705,1087 0.128,1088 4.473,1089 0.044,1090 6.931,1091 0.323,1092 4.246,1093 0.089,1094 3.311,1095 4.609,1096 1.579,1097 11.643,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.005,1103 1.172,1104 2.006,1105 1.796,1106 1.755,1107 1.821,1108 1.986,1109 1.065,1110 1.948,1111 1.646,1112 1.676,1113 1.765,1114 1.858,1115 0.998,1116 1.869,1117 1.554,1118 1.531,1119 1.642,1120 1.799,1121 0.76,1122 1.771,1123 1.441,1124 1.419,1125 1.364,1126 1.682,1127 0.569,1128 1.679,1129 1.128,1130 1.08,1131 1.316,1132 1.421,1133 0.406,1134 1.394,1135 1.016,1136 1.016,1137 1.141,1138 1.256,1139 0.204,1140 1.227,1141 0.883,1142 0.839,1143 1.11,1144 1.211,1145 0.145,1146 1.197,1147 4.29,1149 5.666,1150 3.045,1151 7.217,1152 5.476,1153 8.848,1154 7.627,1155 10.521,1160 1.849,1161 5.824,1162 30.459,1163 -0.723,1164 1.643,1165 10.346,1166 -5.474,1170 34.511,1171 103.709,1172 224.054,1173 257.438,1174 272.193,1175 276.193,1176 276.193,1177 98.764,1178 7.914,1179 212.01,1180 220.39,1181 22,1182 12.915,1183 4.322,1184 3.585,1185 54.531,1186 152,1187 141,1188 0.174,1189 222.299,1190 379.51,1191 534.169,1192 32051,1193 2,1194 23.913,1195 0.725,1196 0.588,1197 25.663,1198 19.413,1199 15.57,1200 0.433,1201 0.326,1202 9.175,1203 13.208,1204 8.945,1205 7.271,1206 17.29,1207 11.725,1208 15.311,1209 0.284,1210 0.171,1211 17.844,1212 9.248,1213 12.461,1214 0.176,1215 0.087,1216 14.016,1217 6.151,1218 10.524,1219 0.112,1220 0.047,1221 12.34,1222 4.411,1223 7.622,1224 0.069,1225 0.026,1226 9.158,1227 2.893,1228 0.277,1229 122.981,1230 0.209,1231 30.748,1232 0.468,1233 180,1234 711.861,1235 402.277,1236 722.338,1237 944.04,1238 662,1239 215,1240 618.996,1241 341.592,1242 666.802,1243 988.69,1244 623,1245 8.519}
{0 CHEMBL612022,1 1.947,2 12.581,3 -0.568,4 0.323,5 103.503,6 9.193,7 0.471,8 4.065,9 4.147,10 3.916,11 3.493,12 5.296,13 3.54,14 4.603,15 4.714,16 4.227,17 3.876,18 6.095,19 3.916,20 4.827,21 4.974,22 4.262,23 3.977,24 6.121,25 3.99,26 4.895,27 5.055,28 4.3,29 3.94,30 6.44,31 3.952,32 4.848,33 5.034,34 4.232,35 3.891,36 6.163,37 3.87,38 4.768,39 4.907,40 4.168,41 3.78,42 6.397,43 3.812,44 4.709,45 4.885,46 3.893,47 3.657,48 6.143,49 3.658,50 4.491,51 4.669,52 3.829,53 3.566,54 5.887,55 3.548,56 0.351,57 0.787,58 10.219,59 4.077,60 51.236,61 3.973,62 1.01,63 1.178,64 16.453,65 6.882,66 102.375,67 7.21,68 1.247,69 1.328,70 26.504,71 9.081,72 132.822,73 9.631,74 1.6,75 1.324,76 29.107,77 8.863,78 211.429,79 9.749,80 1.428,81 1.235,82 33.005,83 8.906,84 156.067,85 9.748,86 1.47,87 1.106,88 31.981,89 8.298,90 217.71,91 8.335,92 1.431,93 0.978,94 25.83,95 6.973,96 176.541,97 7.369,98 0.949,99 0.865,100 20.891,101 6.285,102 124.326,103 7.118,104 37,105 50,106 0.326,107 0.739,108 0.871,109 0.905,110 0.912,111 0.912,112 3.472,113 0.919,114 -2.87,115 -2.87,116 -2.78,119 34.7,121 1,125 1,127 2,128 1,134 4,135 1,136 1,139 1,140 1,141 1,144 1,147 1,149 1,152 1,153 1,154 1,157 4,159 7,160 3,162 1,163 5,165 4,166 4,168 3,169 1,170 1,171 2,173 3,175 2,177 5,178 7,180 2,181 5,182 1,183 3,187 5,188 6,189 1,190 2,192 2,195 1,198 8,201 6,202 1,203 1,211 4,212 4,215 3,216 1,219 1,223 2,224 2,226 1,227 2,229 1,232 1,234 3,235 3,238 2,240 1,243 1,246 1581,247 20.361,248 20.361,249 20.361,250 20.361,251 20.361,252 17.95,253 21.238,254 11.653,255 20.885,256 16.743,257 16.743,258 16.743,259 16.743,260 16.743,261 13.051,262 27.04,263 5.489,264 17.666,265 3.667,266 1.197,267 0.408,268 0.204,269 0.163,270 0.163,271 4.159,275 1,276 846,277 4.062,280 163.684,281 209.174,282 138.142,284 1.944,285 63.105,286 0.75,287 0.67,288 0.83,289 0.5,291 0.67,292 0.5,293 0.56,294 72,295 390,296 4.705,297 4.473,298 6.892,299 4.232,300 3.258,301 4.595,302 1.579,303 11.526,304 3.208,305 4.649,306 3.556,307 6.764,308 4.176,309 3.23,310 4.489,311 1.041,312 11.105,313 3.02,314 4.278,315 3.457,316 6.342,317 3.881,318 2.9,319 3.899,320 0.98,321 9.485,322 2.856,323 3.948,324 3.1,325 6.175,326 3.795,327 2.851,328 3.078,330 9.136,331 2.664,332 3.485,333 2.677,334 5.653,335 3.166,336 2.247,337 2.811,339 7.263,340 2.058,341 3.405,342 2.488,343 5.034,344 2.923,345 1.987,346 2.667,347 5.676,348 1.906,349 3.356,350 2.066,351 4.865,352 2.903,353 1.924,354 2.591,355 5.166,356 1.819,357 2.861,358 1.885,359 4.389,360 2.399,361 1.473,362 2.015,363 3.99,364 1.377,365 2.802,366 1.606,367 4.197,368 2.392,369 1.414,370 1.898,371 3.624,372 1.357,373 2.552,374 1.543,375 3.878,376 2.27,377 1.378,378 1.521,379 3.068,380 1.22,381 2.47,382 1.319,383 3.798,384 2.047,385 1.041,386 1.455,387 2.63,388 1.041,389 2.386,390 1.309,391 3.598,392 1.931,393 1.02,394 1.365,395 2.595,396 0.925,397 2.08,398 1.054,399 3.381,400 1.61,401 0.716,402 0.952,403 1.771,404 0.639,405 1.603,406 0.788,407 3.307,408 1.402,409 0.519,410 0.547,411 1.315,412 0.452,413 1.095,414 0.56,415 2.843,416 0.749,417 -0.188,418 -0.223,419 -0.433,420 -0.174,421 14.067,422 0.454,423 1.009,424 0.033,425 41.5,426 1.339,427 19.5,428 0.629,429 22,430 0.71,431 24.406,432 0.787,433 35.133,434 0.717,435 35.568,436 1.147,437 8.207,438 0.265,439 6.542,440 0.211,441 0.147,442 0.059,443 0.348,447 0.857,448 1.575,449 0.748,450 1.373,451 0.856,452 0.912,453 0.758,454 0.976,455 0.801,456 0.934,457 0.591,458 0.921,459 1.09,460 1.162,461 1.013,462 1.13,463 0.956,464 1.06,465 1.008,466 1.019,467 1.003,468 1.009,469 0.957,470 1.041,471 1.064,472 0.867,473 1.144,474 1.008,475 1.056,476 0.934,477 1.233,478 1.166,479 1.462,480 1.375,481 1.227,482 1.078,483 1.432,484 0.704,485 1.213,486 0.793,487 1.572,488 1.009,489 1.067,490 0.918,491 1.06,492 1.018,493 1.105,494 1.015,495 7.5,496 0.18,497 4.444,498 3.104,499 2.101,500 1.16,501 0.872,502 0.438,503 0.333,504 0.349,505 13636,506 49804,507 2.038,508 36.7,510 8,511 1,512 2,513 5,517 2,518 1.734,519 1.869,520 3.575,521 2.573,524 95.414,525 1.947,526 4.417,527 5.207,528 5.411,529 5.451,530 5.451,531 2.974,532 4.736,533 4.93,534 3.785,535 1759.97,536 8.593,537 25573,539 275.121,540 1.663,541 4.859,542 0.221,543 0.006,544 0.089,545 0.063,546 0.045,547 0.028,548 0.021,549 0.014,550 0.011,551 0.012,552 0.51,553 0.17,554 0.88,555 0.618,556 162.455,557 -0.121,558 -0.293,559 0.168,560 -0.164,561 -0.204,562 0.029,563 0.171,564 0.16,565 -0.014,566 0.036,567 0.164,568 -0.028,569 -0.11,570 -0.155,571 -0.06,572 -0.106,573 -0.103,574 -0.082,575 0.062,576 -0.049,577 -0.01,578 -0.046,579 0.116,580 -0.096,581 -0.04,582 0.101,583 0.042,584 0.069,585 -0.09,586 0.067,587 -0.033,588 -0.192,589 -0.216,590 -0.212,591 0.098,592 -0.115,593 -0.227,594 0.182,595 -0.221,596 0.097,597 -0.26,598 -0.081,599 -0.063,600 0.03,601 -0.002,602 0.006,603 -0.062,604 -0.006,605 5.447,606 5.097,607 0.645,608 30.581,609 1.047,610 1.14,611 1.636,612 2.678,613 0.662,614 3.555,615 3.932,616 4.19,617 4.466,618 4.605,619 4.682,620 4.762,621 4.898,622 4.883,623 4.927,624 7.459,625 0.663,626 450.48,627 3.555,628 5.13,629 5.989,630 6.893,631 7.768,632 8.673,633 9.555,634 10.461,635 11.348,636 12.255,637 12.2,640 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 49,667 19,668 1,669 34,671 52,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 3,693 1,694 3,697 1,698 1,700 18,701 12,702 5,703 14,704 1,706 1,707 6,711 0.75,712 7,714 1,715 1,717 1,721 2,722 2,730 1,731 1,732 3,733 1,739 31,740 1,742 1,743 2,744 2,745 1,746 2,747 3,754 14.3,755 1,756 1,757 3,758 2,761 16.583,762 8.283,763 6.611,764 2.518,765 2.864,766 1.369,767 0.939,768 5.896,769 10.631,770 3.829,771 4.474,772 4.981,773 5.56,774 5.967,775 6.198,776 6.49,777 6.814,778 6.78,779 6.898,780 1,781 49,782 12.034,783 5.837,784 8.32,785 20.757,786 17.304,787 2.82,788 87.417,789 153.024,790 83.858,791 101.558,793 174.37,795 7.511,796 76.347,797 327.394,798 101.558,800 23.532,801 120.997,802 218.909,803 15.419,804 16.243,805 117.711,807 153.024,808 177.905,809 174.37,810 7.511,812 154.74,813 112.141,814 62.229,815 42.668,816 83.164,817 57.868,819 153.024,820 275.928,821 83.858,823 7.511,824 153.024,825 21.205,826 57.041,827 16.405,828 257.624,829 153.024,830 275.928,831 83.858,833 0.598,834 0.347,835 0.186,836 0.093,837 25,838 12,839 0.115,840 6,841 1,842 1.1,843 4.172,844 280.493,845 0.1,846 20,847 151.58,848 1,849 21.578,850 8.47,851 4.521,852 0.767,853 274.029,854 8.129,855 12.002,856 -0.447,857 1.544,858 134.669,859 512.81,860 45,862 -4.53,863 36.255,866 -1.066,867 51.28,868 55.867,869 0.347,870 0.787,871 0.927,872 0.964,873 0.971,874 0.971,875 5.1,876 1.473,877 6.028,878 5.166,879 4.615,880 5.162,881 2.31,882 6.901,883 4.512,884 6.347,885 1.414,886 7.635,887 3.99,888 4.443,889 5.286,891 8.069,892 4.327,893 7.704,894 1.378,895 9.346,896 3.624,897 6.315,898 7.482,899 2.87,900 11.102,901 6.132,902 9.101,903 1.041,904 11.118,905 3.068,906 6.929,907 8.416,909 13.045,910 6.732,911 10.531,912 1.02,913 12.927,914 2.63,915 8.333,916 10.166,917 3.593,918 15.65,919 8.083,920 11.985,921 0.716,922 14.76,923 2.595,924 9.266,925 11.431,927 17.876,928 8.996,929 13.456,930 0.519,931 16.611,932 1.771,933 10.507,934 13.028,935 4.417,936 20.35,937 10.195,938 3.258,939 -0.188,940 18.474,941 1.315,942 11.572,943 14.431,945 22.688,946 11.234,947 3.23,948 11.526,949 20.346,950 -0.433,951 12.756,952 15.972,953 5.291,954 25.121,955 12.383,956 2.9,957 11.105,958 22.226,959 4.595,960 13.875,961 17.434,963 27.506,964 13.474,965 2.851,966 9.485,967 24.111,968 4.489,969 15.041,970 18.954,971 6.188,972 29.929,973 14.608,974 2.247,975 9.136,976 26,977 3.899,978 16.184,979 20.442,981 32.334,982 15.722,983 1.987,984 7.263,985 27.893,986 3.078,987 17.346,988 21.956,989 7.095,990 34.756,991 16.854,992 1.924,993 5.676,994 29.79,995 2.811,996 18.501,997 23.456,999 37.173,1000 17.981,1001 12956,1002 24946,1003 22.076,1004 32.432,1005 52.098,1006 54.23,1007 54.193,1008 51.819,1009 51.918,1010 67.761,1011 7.2,1012 156.696,1013 49.087,1014 5.683,1015 6.473,1016 6.577,1017 5.348,1018 5.258,1019 7.595,1020 3.158,1021 18.823,1022 5.208,1023 17.724,1024 1.532,1025 1.595,1026 1.594,1027 1.524,1028 1.527,1029 1.993,1030 0.212,1031 4.609,1032 1.444,1033 4.11,1034 4.159,1035 4.709,1036 3.927,1037 7.725,1038 3.951,1039 3.987,1040 3.976,1041 4.08,1042 3.875,1043 7.428,1044 3.863,1045 3.853,1046 3.847,1047 3.856,1048 3.763,1049 6.999,1050 3.686,1051 3.743,1052 3.74,1053 3.687,1054 3.576,1055 6.469,1056 3.563,1057 3.328,1058 3.409,1059 3.255,1060 3.074,1061 6.449,1062 3.106,1063 3.201,1064 3.228,1065 3.17,1066 2.985,1067 5.269,1068 3.007,1069 3.064,1070 3.129,1071 2.949,1072 2.856,1073 4.879,1074 2.849,1075 2.989,1076 3.07,1077 2.855,1078 2.746,1079 4.625,1080 2.749,1081 0.138,1082 0.132,1083 0.203,1084 0.124,1085 0.096,1086 4.705,1087 0.135,1088 4.473,1089 0.046,1090 6.892,1091 0.339,1092 4.232,1093 0.094,1094 3.258,1095 4.595,1096 1.579,1097 11.526,1098 3.208,1099 1.897,1100 1.883,1101 1.991,1102 2.014,1103 1.219,1104 2.006,1105 1.809,1106 1.763,1107 1.879,1108 2.005,1109 1.065,1110 1.975,1111 1.649,1112 1.676,1113 1.792,1114 1.857,1115 1.023,1116 1.87,1117 1.547,1118 1.521,1119 1.65,1120 1.785,1121 0.779,1122 1.77,1123 1.433,1124 1.404,1125 1.381,1126 1.679,1127 0.563,1128 1.674,1129 1.142,1130 1.081,1131 1.328,1132 1.427,1133 0.401,1134 1.411,1135 1.02,1136 1.017,1137 1.166,1138 1.284,1139 0.208,1140 1.254,1141 0.883,1142 0.839,1143 1.141,1144 1.208,1145 0.157,1146 1.199,1147 4.234,1149 5.595,1150 3.045,1151 7.132,1152 5.416,1153 8.748,1154 7.526,1155 10.407,1161 5.867,1162 19.931,1163 -0.447,1164 1.688,1165 10.497,1166 -2.775,1170 32.48,1171 95.414,1172 216.45,1173 255.121,1174 265.121,1175 267.121,1176 267.121,1177 84.722,1178 7.767,1179 191.78,1180 200.16,1181 22,1182 12.776,1183 4.322,1184 3.585,1185 49.648,1186 141,1187 123,1188 0.171,1189 200.718,1190 345.44,1191 481.512,1192 27544,1194 22.173,1195 0.715,1196 0.537,1197 22.423,1198 16.637,1199 14.749,1200 0.434,1201 0.306,1202 8.895,1203 13.085,1204 8.719,1205 7.116,1206 15.602,1207 10.418,1208 14.266,1209 0.285,1210 0.161,1211 15.575,1212 8.05,1213 11.466,1214 0.176,1215 0.085,1216 12.314,1217 5.544,1218 9.84,1219 0.114,1220 0.045,1221 10.69,1222 3.883,1223 7.122,1224 0.072,1225 0.025,1226 7.876,1227 2.519,1228 0.273,1229 104,1230 0.213,1231 29.333,1232 0.456,1233 168,1234 652.063,1235 232.226,1236 626.618,1237 830.67,1238 576,1239 199,1240 569.71,1241 273.829,1242 603.226,1243 887.7,1244 564,1245 8.456}
{0 CHEMBL612037,1 1.816,2 19.244,3 2.496,4 6.231,5 161.42,6 8.072,7 0.429,8 4.512,9 4.62,10 4.223,11 3.937,12 5.656,13 3.951,14 5.073,15 5.226,16 4.543,17 4.332,18 6.371,19 4.326,20 5.341,21 5.543,22 4.611,23 4.434,24 6.55,25 4.405,26 5.391,27 5.602,28 4.641,29 4.418,30 6.734,31 4.394,32 5.337,33 5.548,34 4.637,35 4.399,36 6.556,37 4.367,38 5.325,39 5.519,40 4.646,41 4.367,42 6.745,43 4.365,44 5.3,45 5.499,46 4.514,47 4.32,48 6.657,49 4.308,50 5.205,51 5.405,52 4.452,53 4.283,54 6.471,55 4.264,56 0.382,57 1.243,58 19.211,59 6.833,60 51.838,61 8.484,62 1.166,63 1.886,64 33.04,65 11.791,66 121.11,67 15.274,68 1.595,69 2.14,70 50.895,71 14.64,72 171.526,73 20.033,74 2.009,75 2.155,76 54.577,77 14.101,78 244.602,79 19.519,80 1.713,81 2.096,82 54.087,83 13.675,84 175.323,85 18.647,86 1.902,87 2.053,88 54.511,89 12.734,90 248.077,91 17.363,92 1.934,93 1.956,94 48.697,95 11.72,96 222.14,97 16.357,98 1.379,99 1.88,100 43.123,101 10.719,102 165.569,103 15.524,104 72,105 70,106 0.275,107 0.643,108 0.801,109 0.868,110 0.902,111 0.91,112 3.832,113 0.974,114 -5.32,115 -5.2,116 -4.86,119 33.8,120 1,121 7,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 11,159 10,160 2,162 1,163 5,165 3,166 10,168 5,169 4,170 1,171 4,172 1,173 3,175 7,177 9,178 8,180 3,181 6,182 1,183 3,185 4,187 5,188 9,189 1,190 5,192 1,194 3,197 4,198 11,200 2,201 9,202 1,206 2,211 7,212 10,215 5,216 2,217 1,219 1,220 1,221 1,223 1,224 8,227 4,228 1,229 2,231 1,233 1,234 7,235 11,237 1,238 7,240 3,244 1,246 5197,247 29.99,248 29.99,249 29.99,250 29.99,251 29.99,252 27.076,253 30.68,254 17.669,255 30.606,256 24.121,257 24.121,258 24.121,259 24.121,260 24.121,261 19.546,262 34.349,263 8.374,264 25.266,265 4.505,266 2.076,267 1.032,268 0.584,269 0.359,270 0.309,271 4.527,276 1844,277 5.05,280 386.806,281 315.97,282 211.627,284 3.383,285 82.995,286 0.25,287 0.33,288 0.33,289 0.7,290 1,291 0.17,293 0.4,294 102.5,295 866,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.991,318 3.057,319 3.899,320 0.98,321 10.249,322 2.863,323 4.256,324 3.212,325 6.341,326 3.874,327 2.884,328 3.87,330 9.481,331 2.835,332 4.114,333 2.96,334 6.157,335 3.765,336 2.82,337 3.337,339 9.116,340 2.665,341 3.7,342 2.677,343 5.881,344 3.343,345 2.412,346 3.005,347 7.921,348 2.238,349 3.56,350 2.622,351 5.303,352 3.194,353 2.247,354 2.879,355 6.78,356 2.121,357 3.357,358 2.455,359 5.245,360 2.928,361 1.942,362 2.592,363 5.916,364 1.908,365 3.043,366 2.243,367 4.868,368 2.84,369 1.882,370 2.129,371 5.163,372 1.835,373 2.916,374 1.969,375 4.794,376 2.82,377 1.844,378 2.024,379 4.75,380 1.747,381 2.861,382 1.845,383 4.362,384 2.491,385 1.587,386 2.015,387 4.106,388 1.476,389 2.807,390 1.545,391 4.143,392 2.475,393 1.514,394 1.834,395 3.602,396 1.405,397 2.73,398 1.543,399 3.894,400 2.392,401 1.414,402 1.759,403 3.07,404 1.377,405 2.55,406 1.469,407 3.837,408 2.274,409 1.315,410 1.512,411 2.989,412 1.258,413 2.492,414 1.343,415 3.669,416 2.051,417 1.067,418 1.49,419 2.692,420 1.046,421 20.6,422 0.458,423 1.269,424 0.028,425 54,426 1.2,427 23.5,428 0.522,429 30.5,430 0.678,431 46.97,432 1.044,433 52,434 0.65,435 51.835,436 1.152,437 10.023,438 0.223,439 11.552,440 0.257,441 0.141,442 0.04,443 0.33,447 0.809,448 1.512,449 0.787,450 1.361,451 0.841,452 1.019,453 0.686,454 1.142,455 0.802,456 1.091,457 0.588,458 1.039,459 0.874,460 1.145,461 0.861,462 1.067,463 0.817,464 0.975,465 0.965,466 0.95,467 0.9,468 0.912,469 0.918,470 0.909,471 0.987,472 1.031,473 0.973,474 0.997,475 0.985,476 0.891,477 1.026,478 1.077,479 1.127,480 1.118,481 1.018,482 0.929,483 1.181,484 0.953,485 1.069,486 0.886,487 1.193,488 0.952,489 1.111,490 1.134,491 1.023,492 1.023,493 1.061,494 1.018,495 9.5,496 0.482,497 5.778,498 3.833,499 2.862,500 1.865,501 1.269,502 0.859,503 0.701,504 0.513,505 39150,506 115747,507 2.037,508 43.8,509 15,510 9,511 2,512 1,513 6,514 2,518 1.826,519 1.882,520 4.141,521 2.971,524 145.318,525 1.816,526 4.246,527 5.29,528 5.737,529 5.962,530 6.012,531 3.69,532 5.314,533 5.451,534 4.353,535 4309.48,536 9.66,537 85306.5,539 505.754,540 1.594,541 5.405,542 0.194,543 0.009,544 0.083,545 0.054,546 0.041,547 0.027,548 0.018,549 0.014,550 0.012,551 0.009,552 0.459,554 0.5,555 1.419,556 267.53,557 -0.039,558 -0.164,559 0.153,560 -0.111,561 -0.152,562 0.014,563 0.226,564 0.025,565 0.055,566 -0.048,567 0.169,568 -0.05,569 0.104,570 -0.14,571 0.115,572 -0.053,573 0.053,574 0.025,575 0.122,576 0.033,577 0.102,578 0.037,579 0.138,580 0.043,581 0.045,582 -0.014,583 0.124,584 0.04,585 -0.009,586 0.081,587 0.113,588 -0.03,589 0.01,590 -0.067,591 0.153,592 0.015,593 -0.003,594 0.056,595 -0.088,596 0.026,597 -0.009,598 -0.041,599 -0.095,600 -0.08,601 -0.064,602 -0.068,603 -0.054,604 -0.074,605 5.604,606 5.384,607 0.556,608 78.831,609 1.026,610 1.143,611 4.088,612 16.708,613 0.64,614 3.912,615 4.263,616 4.533,617 4.804,618 4.984,619 5.153,620 5.313,621 5.497,622 5.628,623 5.743,624 10.541,625 0.624,626 645.78,627 3.912,628 5.476,629 6.333,630 7.228,631 8.106,632 9.01,633 9.9,634 10.809,635 11.708,636 12.621,637 11.3,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 80,667 24,668 1,669 49,671 84,672 27,673 13,674 2,675 4,676 1,677 5,678 6,681 1,683 3,686 10,688 14,689 13,691 3,693 1,694 3,697 1,700 35,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 45,740 1,742 1,743 3,744 8,745 1,746 2,747 4,751 1,754 10,755 2,756 1,757 3,758 2,761 23.917,762 13.917,763 9.861,764 4.895,765 3.756,766 1.413,767 0.919,768 10.537,769 12.849,770 4.151,771 4.762,772 5.288,773 5.877,774 6.323,775 6.729,776 7.17,777 7.619,778 7.937,779 8.261,780 1,781 71,782 17.476,783 8.307,784 8.102,785 31.048,786 25.815,787 2.602,788 117.083,789 341.362,790 112.975,791 136.538,793 217.053,795 7.511,796 105.464,797 558.415,798 136.538,799 8.825,800 38.739,801 172.728,802 242.056,803 11.762,804 27.769,805 306.049,807 341.362,808 242.002,809 217.053,810 7.511,812 341.362,813 112.141,814 104.912,815 68.374,816 90.068,817 91.071,819 341.362,820 353.591,821 112.975,823 7.511,824 341.362,825 41.068,826 68.072,827 16.405,828 333.51,829 341.362,830 353.591,831 112.975,833 0.585,834 0.339,835 0.178,836 0.09,837 32,838 16,839 0.167,840 14,841 1,842 1.08,843 5.346,844 461.344,845 0.08,846 25,847 245.133,848 1,849 33,850 14.369,851 7.716,852 0.358,853 349.915,854 8.343,855 21.309,856 0.185,857 2.707,858 177.352,859 807.928,860 62.5,862 -4.687,863 37.049,866 -1.126,867 82.098,868 91.478,869 0.287,870 0.672,871 0.837,872 0.908,873 0.943,874 0.951,875 5.417,876 1.942,877 6.351,878 6.78,879 4.949,880 5.451,881 2.31,882 7.209,883 4.852,884 6.641,885 1.882,886 7.946,887 5.916,888 4.691,889 5.497,891 8.313,892 4.555,893 7.981,894 1.844,895 9.647,896 5.163,897 6.619,898 7.724,899 2.87,900 11.378,901 6.43,902 9.363,903 1.587,904 11.41,905 4.75,906 7.186,907 8.613,909 13.276,910 6.955,911 10.781,912 1.514,913 13.211,914 4.106,915 8.61,916 10.364,917 3.593,918 15.899,919 8.333,920 12.224,921 1.414,922 15.039,923 3.602,924 9.523,925 11.599,927 18.095,928 9.202,929 13.685,930 1.315,931 16.884,932 3.07,933 10.772,934 13.188,935 4.417,936 20.578,937 10.408,938 3.319,939 1.067,940 18.741,941 2.989,942 11.829,943 14.571,945 22.898,946 11.422,947 3.235,948 11.664,949 20.609,950 2.692,951 13.017,952 16.103,953 5.291,954 25.335,955 12.569,956 3.057,957 11.105,958 22.484,959 4.624,960 14.136,961 17.553,963 27.709,964 13.646,965 2.884,966 10.249,967 24.364,968 4.489,969 15.306,970 19.066,971 6.188,972 30.134,973 14.775,974 2.82,975 9.481,976 26.25,977 3.899,978 16.451,979 20.547,981 32.535,982 15.88,983 2.412,984 9.116,985 28.14,986 3.87,987 17.618,988 22.056,989 7.095,990 34.958,991 17.006,992 2.247,993 7.921,994 30.033,995 3.337,996 18.777,997 23.553,999 37.374,1000 18.125,1001 37518,1002 65362,1003 32.016,1004 51.233,1005 73.651,1006 76.025,1007 76.535,1008 73.453,1009 73.362,1010 93.076,1011 7.2,1012 216.805,1013 69.777,1014 5.683,1015 6.473,1016 6.899,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 26.996,1024 1.503,1025 1.552,1026 1.562,1027 1.499,1028 1.497,1029 1.9,1030 0.147,1031 4.425,1032 1.424,1033 4.135,1034 4.188,1035 4.71,1036 3.94,1037 7.725,1038 3.97,1039 3.989,1040 3.978,1041 4.111,1042 3.879,1043 7.428,1044 3.864,1045 3.9,1046 3.96,1047 3.859,1048 3.765,1049 6.999,1050 3.727,1051 3.847,1052 3.851,1053 3.845,1054 3.713,1055 6.495,1056 3.687,1057 3.769,1058 3.81,1059 3.703,1060 3.607,1061 6.468,1062 3.596,1063 3.72,1064 3.734,1065 3.582,1066 3.554,1067 6.4,1068 3.552,1069 3.521,1070 3.6,1071 3.348,1072 3.348,1073 5.287,1074 3.34,1075 3.317,1076 3.396,1077 3.225,1078 3.091,1079 5.057,1080 3.11,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.251,1093 0.065,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 2.053,1102 2.038,1103 1.403,1104 2.006,1105 1.824,1106 1.775,1107 1.991,1108 2.005,1109 1.205,1110 2,1111 1.798,1112 1.74,1113 1.909,1114 1.958,1115 1.172,1116 1.981,1117 1.649,1118 1.676,1119 1.846,1120 1.858,1121 1.065,1122 1.869,1123 1.642,1124 1.584,1125 1.778,1126 1.823,1127 1.002,1128 1.847,1129 1.557,1130 1.532,1131 1.687,1132 1.804,1133 0.929,1134 1.781,1135 1.442,1136 1.42,1137 1.648,1138 1.683,1139 0.779,1140 1.68,1141 1.416,1142 1.348,1143 1.456,1144 1.614,1145 0.635,1146 1.635,1147 4.595,1149 5.938,1150 3.434,1151 7.456,1152 5.82,1153 9.061,1154 7.928,1155 10.715,1157 2.178,1161 6.149,1162 31.215,1163 6.877,1164 1.669,1165 10.598,1166 -5.74,1170 49.946,1171 145.318,1172 339.673,1173 423.225,1174 458.999,1175 476.999,1176 480.999,1177 138.826,1178 9.093,1179 242.72,1180 251.1,1181 27,1182 13.138,1183 4.644,1184 3.858,1185 76.948,1186 277,1187 383,1188 0.131,1189 307.772,1190 531.69,1191 742.724,1192 148097,1194 32.139,1195 0.714,1196 0.561,1197 32.389,1198 25.246,1199 21.575,1200 0.44,1201 0.325,1202 14.324,1203 19.655,1204 14.044,1205 11.612,1206 22.428,1207 15.912,1208 19.961,1209 0.285,1210 0.171,1211 21.27,1212 11.986,1213 16.476,1214 0.179,1215 0.089,1216 17.324,1217 8.216,1218 13.654,1219 0.113,1220 0.047,1221 14.504,1222 5.638,1223 10.106,1224 0.07,1225 0.025,1226 10.854,1227 3.677,1228 0.213,1229 146.923,1230 0.177,1231 40.225,1232 0.341,1233 238,1234 837.148,1235 311.018,1236 804.505,1237 1078.79,1238 742,1239 281,1240 765.85,1241 367.532,1242 795.989,1243 1174.63,1244 746,1245 8.893}
{0 CHEMBL612040,1 1.929,2 16.75,3 0.489,4 0.239,5 151.054,6 9.338,7 0.551,8 4.387,9 4.471,10 4.213,11 3.827,12 5.664,13 3.881,14 4.896,15 5,16 4.561,17 4.222,18 6.359,19 4.271,20 5.147,21 5.286,22 4.644,23 4.32,24 6.544,25 4.355,26 5.225,27 5.382,28 4.671,29 4.293,30 6.748,31 4.333,32 5.181,33 5.353,34 4.646,35 4.262,36 6.562,37 4.287,38 5.144,39 5.3,40 4.623,41 4.21,42 6.699,43 4.262,44 5.108,45 5.265,46 4.5,47 4.159,48 6.631,49 4.204,50 5.011,51 5.168,52 4.444,53 4.149,54 6.422,55 4.18,56 0.51,57 1.104,58 12.243,59 5.553,60 69.183,61 5.007,62 1.206,63 1.683,64 18.907,65 9.146,66 120.155,67 9.056,68 1.706,69 1.934,70 32.357,71 11.937,72 186.57,73 12.301,74 2.115,75 1.98,76 37.057,77 11.731,78 259.879,79 12.228,80 1.911,81 1.921,82 39.632,83 11.348,84 201.767,85 11.856,86 1.921,87 1.838,88 40.012,89 10.686,90 253.592,91 10.882,92 1.978,93 1.717,94 33.339,95 9.64,96 235.327,97 9.762,98 1.446,99 1.657,100 28.395,101 9.165,102 181.065,103 9.714,104 65,105 73,106 0.298,107 0.696,108 0.807,109 0.869,110 0.901,111 0.919,112 3.81,113 0.866,114 -3.11,115 -3.1,116 -2.98,119 37.3,125 1,127 3,128 1,134 8,135 2,136 2,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 8,159 10,160 2,162 1,163 5,165 5,166 8,168 5,169 4,170 1,171 4,172 1,173 5,175 4,177 9,178 9,180 3,181 7,182 1,183 4,187 5,188 11,189 1,190 7,192 1,197 4,198 10,200 2,201 9,202 1,211 7,212 9,215 7,216 2,217 1,219 1,221 1,223 1,224 5,227 4,228 1,229 2,231 1,233 1,234 7,235 7,237 1,238 8,239 1,240 4,242 1,244 2,246 4442,247 29.154,248 29.154,249 29.154,250 29.154,251 29.154,252 25.498,253 29.199,254 16.554,255 29.799,256 24.111,257 24.111,258 24.111,259 24.111,260 24.111,261 18.518,262 32.124,263 7.807,264 25.319,265 4.137,266 1.567,267 0.847,268 0.448,269 0.239,270 0.119,271 4.513,276 1616,277 4.416,280 358.432,281 452.14,282 196.993,284 2.761,285 89.533,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 101.5,295 737,296 4.705,297 4.473,298 6.935,299 4.252,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.679,306 3.588,307 6.764,308 4.218,309 3.235,310 4.489,311 1.041,312 11.105,313 3.061,314 4.409,315 3.552,316 6.56,317 4.035,318 3.084,319 4.097,320 0.98,321 10.282,322 2.953,323 4.278,324 3.22,325 6.475,326 3.95,327 2.995,328 3.899,330 10.035,331 2.859,332 4.175,333 3.087,334 6.341,335 3.873,336 2.882,337 3.644,339 9.48,340 2.82,341 4.023,342 2.83,343 6.101,344 3.617,345 2.68,346 3.311,347 8.866,348 2.508,349 3.661,350 2.677,351 5.874,352 3.302,353 2.371,354 2.944,355 7.889,356 2.197,357 3.456,358 2.566,359 5.246,360 2.99,361 2.044,362 2.833,363 5.934,364 1.93,365 3.357,366 2.245,367 5.092,368 2.928,369 1.942,370 2.592,371 5.888,372 1.908,373 3.043,374 2.158,375 4.868,376 2.82,377 1.881,378 2.143,379 5.163,380 1.747,381 2.926,382 1.968,383 4.794,384 2.479,385 1.587,386 2.097,387 4.75,388 1.411,389 2.861,390 1.552,391 4.408,392 2.419,393 1.463,394 2.015,395 4.111,396 1.396,397 2.855,398 1.543,399 4.144,400 2.392,401 1.414,402 2.003,403 3.076,404 1.377,405 2.739,406 1.469,407 3.894,408 2.389,409 1.414,410 1.776,411 3.07,412 1.369,413 2.56,414 1.455,415 3.865,416 2.053,417 1.124,418 1.582,419 2.985,420 1.046,421 19.933,422 0.453,423 1.41,424 0.032,425 60.75,426 1.381,427 30,428 0.682,429 30.75,430 0.699,431 38.047,432 0.865,433 48.467,434 0.723,435 59.722,436 1.357,437 12.165,438 0.276,439 8.854,440 0.201,441 0.137,442 0.042,443 0.391,447 0.891,448 1.355,449 0.735,450 1.215,451 0.919,452 0.837,453 0.763,454 1.037,455 0.775,456 0.981,457 0.656,458 0.924,459 1.012,460 1.2,461 0.963,462 1.129,463 0.938,464 1.04,465 1.077,466 1.014,467 1.005,468 0.962,469 1.025,470 0.982,471 1.082,472 1.026,473 1.096,474 0.988,475 1.074,476 0.908,477 1.077,478 1.078,479 1.253,480 1.149,481 1.043,482 0.94,483 1.208,484 0.889,485 1.149,486 0.843,487 1.224,488 0.946,489 1.134,490 1.113,491 1.054,492 1.032,493 1.093,494 1.025,495 10,496 0.473,497 6.667,498 4.236,499 3.004,500 2.094,501 1.275,502 0.807,503 0.767,504 0.554,505 36724,506 129998,507 2.076,508 34.3,510 13,511 2,512 1,513 7,518 1.821,519 1.906,520 3.979,521 3.816,524 129.231,525 1.929,526 4.499,527 5.219,528 5.618,529 5.827,530 5.947,531 3.474,532 5.323,533 5.428,534 4.199,535 3972.07,536 9.608,537 74816.9,539 406.428,540 1.625,541 5.369,542 0.204,543 0.008,544 0.091,545 0.056,546 0.041,547 0.03,548 0.018,549 0.013,550 0.013,551 0.009,552 0.485,553 0.17,554 0.5,555 0.571,556 257.292,557 -0.127,558 -0.119,559 0.121,560 -0.072,561 -0.225,562 0.057,563 0.128,564 0.106,565 -0.019,566 -0.003,567 0.091,568 -0.05,569 -0.021,570 -0.181,571 -0.022,572 -0.12,573 -0.043,574 -0.083,575 0.007,576 -0.024,577 -0.014,578 -0.015,579 0.041,580 -0.052,581 -0.053,582 -0.012,583 0.03,584 0.041,585 -0.092,586 0.052,587 0.006,588 -0.041,589 -0.096,590 -0.089,591 0.076,592 -0.01,593 -0.07,594 0.106,595 -0.175,596 0.067,597 -0.067,598 -0.053,599 -0.157,600 -0.086,601 -0.11,602 -0.069,603 -0.105,604 -0.085,605 5.63,606 5.367,607 0.705,608 63.769,609 1.047,610 1.137,611 1.876,612 3.518,613 0.673,614 3.912,615 4.304,616 4.605,617 4.89,618 5.081,619 5.242,620 5.407,621 5.587,622 5.737,623 5.886,624 9.645,625 0.679,626 625.64,627 3.912,628 5.501,629 6.378,630 7.288,631 8.18,632 9.093,633 9.992,634 10.906,635 11.81,636 12.727,637 13.4,640 1,643 1,644 2,646 5,650 2,651 10,652 5,653 7,654 2,655 27,659 1,663 2,666 67,667 30,668 2,669 49,671 72,672 25,673 19,674 4,675 8,676 1,677 6,678 7,683 3,686 3,688 20,689 5,691 3,693 1,694 3,697 1,700 23,701 16,702 7,703 19,704 1,706 1,707 9,711 0.833,712 9,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 44,740 1,742 1,743 4,744 1,745 1,746 2,747 4,751 1,754 13.4,755 2,756 2,757 3,758 2,761 23.083,762 11.45,763 9.333,764 3.445,765 4.878,766 1.522,767 0.936,768 7.95,769 14.224,770 4.197,771 4.864,772 5.433,773 6.039,774 6.517,775 6.91,776 7.367,777 7.826,778 8.212,779 8.635,780 1,781 75,782 17.068,783 8.378,784 8.271,785 29.411,786 24.717,787 2.771,788 121.917,789 188.338,790 127.499,791 136.538,793 259.737,795 7.511,796 119.987,797 448.074,798 136.538,800 20.997,801 210.633,802 284.74,803 14.948,804 27.769,805 153.024,807 188.338,808 256.525,809 259.737,810 7.511,812 188.338,813 154.825,814 104.912,815 41.807,816 131.158,817 91.071,819 188.338,820 396.274,821 127.499,823 7.511,824 188.338,825 26.511,826 97.152,827 16.405,828 376.194,829 188.338,830 396.274,831 127.499,833 0.601,834 0.357,835 0.19,836 0.096,837 37,838 18,839 0.111,840 8,841 1,842 1.065,843 5.174,844 471.877,845 0.065,846 31,847 236.215,848 1,849 29.858,850 11.715,851 5.853,852 0.21,853 392.599,854 14.501,855 20.826,856 -0.106,857 2.473,858 220.036,859 712.111,860 65.5,862 -4.714,863 37.002,866 -1.146,867 70.124,868 76.196,869 0.318,870 0.742,871 0.86,872 0.926,873 0.961,874 0.98,875 5.475,876 2.044,877 6.415,878 7.889,879 4.99,880 5.553,881 2.31,882 7.299,883 4.891,884 6.726,885 1.942,886 8.029,887 5.934,888 4.796,889 5.602,891 8.425,892 4.663,893 8.079,894 1.881,895 9.745,896 5.888,897 6.693,898 7.857,899 2.87,900 11.495,901 6.508,902 9.47,903 1.587,904 11.518,905 5.163,906 7.294,907 8.719,909 13.393,910 7.073,911 10.893,912 1.463,913 13.326,914 4.75,915 8.706,916 10.493,917 3.593,918 16.016,919 8.441,920 12.338,921 1.414,922 15.158,923 4.111,924 9.631,925 11.702,927 18.206,928 9.327,929 13.8,930 1.414,931 17.006,932 3.076,933 10.876,934 13.303,935 4.417,936 20.685,937 10.531,938 3.319,939 1.124,940 18.865,941 3.07,942 11.936,943 14.667,945 22.997,946 11.551,947 3.235,948 11.665,949 20.733,950 2.985,951 13.121,952 16.203,953 5.291,954 25.428,955 12.697,956 3.084,957 11.105,958 22.607,959 4.625,960 14.238,961 17.639,963 27.794,964 13.773,965 2.995,966 10.282,967 24.487,968 4.489,969 15.406,970 19.151,971 6.188,972 30.213,973 14.901,974 2.882,975 10.035,976 26.371,977 4.097,978 16.548,979 20.622,981 32.606,982 16.004,983 2.68,984 9.48,985 28.259,986 3.899,987 17.712,988 22.128,989 7.095,990 35.024,991 17.128,992 2.371,993 8.866,994 30.149,995 3.644,996 18.868,997 23.618,999 37.433,1000 18.244,1001 34149,1002 64508,1003 32.134,1004 45.119,1005 75.932,1006 77.968,1007 78.557,1008 75.216,1009 75.169,1010 99.244,1011 7.2,1012 229.984,1013 71.34,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 26.167,1024 1.55,1025 1.591,1026 1.603,1027 1.535,1028 1.534,1029 2.025,1030 0.147,1031 4.694,1032 1.456,1033 4.138,1034 4.19,1035 4.71,1036 3.952,1037 7.725,1038 3.98,1039 3.989,1040 4.002,1041 4.115,1042 3.882,1043 7.428,1044 3.867,1045 3.964,1046 3.977,1047 3.929,1048 3.853,1049 6.999,1050 3.862,1051 3.855,1052 3.855,1053 3.855,1054 3.764,1055 6.496,1056 3.692,1057 3.772,1058 3.776,1059 3.735,1060 3.59,1061 6.471,1062 3.586,1063 3.677,1064 3.715,1065 3.631,1066 3.465,1067 6.466,1068 3.498,1069 3.303,1070 3.382,1071 3.232,1072 3.063,1073 6.4,1074 3.093,1075 3.2,1076 3.224,1077 3.17,1078 2.982,1079 5.287,1080 3.004,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.252,1093 0.065,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.9,1100 1.883,1101 1.997,1102 2.04,1103 1.172,1104 2.006,1105 1.897,1106 1.879,1107 1.991,1108 2.005,1109 1.086,1110 2.001,1111 1.811,1112 1.765,1113 1.847,1114 1.979,1115 1.065,1116 1.97,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 1,1122 1.869,1123 1.558,1124 1.535,1125 1.653,1126 1.814,1127 0.783,1128 1.782,1129 1.442,1130 1.42,1131 1.478,1132 1.683,1133 0.581,1134 1.68,1135 1.358,1136 1.308,1137 1.363,1138 1.585,1139 0.553,1140 1.546,1141 1.141,1142 1.085,1143 1.317,1144 1.417,1145 0.406,1146 1.391,1147 4.595,1149 5.969,1150 3.434,1151 7.52,1152 5.82,1153 9.151,1154 7.934,1155 10.824,1161 6.106,1162 41.296,1163 -0.79,1164 1.648,1165 10.536,1166 -5.925,1170 45.5,1171 129.231,1172 301.434,1173 349.673,1174 376.428,1175 390.428,1176 398.428,1177 122.727,1178 9.346,1179 262.95,1180 271.33,1181 33,1182 13.24,1183 4.954,1184 4.129,1185 66.278,1186 253,1187 254,1188 0.124,1189 276.408,1190 474.7,1191 666.196,1192 196474,1194 31.173,1195 0.708,1196 0.524,1197 31.423,1198 23.053,1199 21.02,1200 0.429,1201 0.289,1202 12.549,1203 19.035,1204 12.353,1205 10.093,1206 21.873,1207 14.152,1208 20.224,1209 0.277,1210 0.149,1211 21.533,1212 10.88,1213 17.226,1214 0.174,1215 0.076,1216 18.073,1217 7.562,1218 14.551,1219 0.11,1220 0.04,1221 15.402,1222 5.216,1223 10.899,1224 0.068,1225 0.021,1226 11.648,1227 3.385,1228 0.2,1229 144.171,1230 0.176,1231 39.065,1232 0.33,1233 244,1234 909.298,1235 319.122,1236 874.688,1237 1174.05,1238 806,1239 294,1240 837.881,1241 382.692,1242 869.345,1243 1284.86,1244 815,1245 8.947}
{0 CHEMBL612041,1 1.92,2 17.295,3 0.01,5 154.06,6 9.186,7 0.551,8 4.397,9 4.491,10 4.212,11 3.838,12 5.659,13 3.887,14 4.907,15 5.019,16 4.559,17 4.235,18 6.353,19 4.277,20 5.154,21 5.3,22 4.631,23 4.335,24 6.531,25 4.359,26 5.237,27 5.409,28 4.644,29 4.307,30 6.716,31 4.329,32 5.177,33 5.36,34 4.626,35 4.264,36 6.515,37 4.28,38 5.133,39 5.283,40 4.633,41 4.215,42 6.703,43 4.268,44 5.126,45 5.289,46 4.5,47 4.177,48 6.627,49 4.216,50 5.034,51 5.202,52 4.43,53 4.163,54 6.413,55 4.182,56 0.473,57 1.136,58 12.929,59 5.465,60 64.132,61 5.231,62 1.175,63 1.719,64 20.252,65 9.224,66 116.196,67 9.592,68 1.614,69 1.974,70 33.06,71 11.891,72 173.571,73 12.782,74 2.028,75 2.002,76 39.17,77 11.91,78 246.878,79 13.241,80 1.791,81 1.908,82 41.091,83 11.424,84 186.531,85 12.571,86 1.842,87 1.827,88 39.267,89 10.561,90 243.682,91 10.886,92 1.933,93 1.757,94 34.385,95 9.637,96 227.009,97 10.026,98 1.423,99 1.683,100 30.528,101 9.299,102 173.638,103 10.438,104 65,105 73,106 0.296,107 0.697,108 0.818,109 0.887,110 0.903,111 0.903,112 3.81,113 0.87,114 -3.11,115 -3.1,116 -2.98,119 36.8,125 1,127 3,128 1,134 8,135 2,136 2,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 2,153 2,154 2,155 2,157 8,159 10,160 2,162 1,163 5,165 5,166 8,167 2,168 5,169 5,170 1,171 4,172 1,173 5,175 4,176 2,177 9,178 11,180 3,181 6,182 1,183 4,186 1,187 5,188 10,189 1,190 5,192 1,197 4,198 10,200 3,201 10,202 1,211 7,212 9,214 2,215 7,216 2,217 1,219 1,221 1,223 1,224 4,227 4,228 1,229 3,231 1,233 2,234 7,235 8,237 3,238 9,240 4,244 2,246 4502,247 29.101,248 29.101,249 29.101,250 29.101,251 29.101,252 25.474,253 30.205,254 16.482,255 29.733,256 24.11,257 24.11,258 24.11,259 24.11,260 24.11,261 18.534,262 33.461,263 7.799,264 25.289,265 4.167,266 1.568,267 0.787,268 0.335,269 0.235,270 0.235,271 4.513,276 1667,277 4.416,280 362.18,281 454.065,282 198.834,284 2.854,285 85.371,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 101,295 761,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.347,315 3.552,316 6.557,317 4.006,318 3.067,319 4.021,320 0.98,321 10.256,322 2.891,323 4.278,324 3.212,325 6.341,326 3.899,327 2.932,328 3.899,330 9.497,331 2.856,332 4.157,333 2.988,334 6.271,335 3.871,336 2.882,337 3.582,339 9.476,340 2.807,341 3.98,342 2.727,343 6,344 3.572,345 2.623,346 3.316,347 8.538,348 2.484,349 3.687,350 2.677,351 5.862,352 3.312,353 2.376,354 3.043,355 7.862,356 2.222,357 3.596,358 2.555,359 5.246,360 3.21,361 2.25,362 2.9,363 6.104,364 2.148,365 3.357,366 2.351,367 5.048,368 2.928,369 1.942,370 2.592,371 5.916,372 1.908,373 3.142,374 2.243,375 4.868,376 2.82,377 1.882,378 2.431,379 5.163,380 1.747,381 3.042,382 1.969,383 4.794,384 2.626,385 1.674,386 2.121,387 4.786,388 1.589,389 2.861,390 1.694,391 4.602,392 2.477,393 1.586,394 2.015,395 4.743,396 1.405,397 2.749,398 1.543,399 4.15,400 2.392,401 1.414,402 1.797,403 3.281,404 1.377,405 2.628,406 1.469,407 4.083,408 2.121,409 1.196,410 1.67,411 3.07,412 1.104,413 2.55,414 1.311,415 3.894,416 2.051,417 1.046,418 1.511,419 2.959,420 1.045,421 20,422 0.455,423 1.427,424 0.032,425 60.75,426 1.381,427 30,428 0.682,429 30.75,430 0.699,431 38.016,432 0.864,433 48.4,434 0.712,435 59.313,436 1.348,437 12.132,438 0.276,439 8.871,440 0.202,441 0.14,442 0.042,443 0.39,447 0.881,448 1.35,449 0.74,450 1.205,451 0.921,452 0.834,453 0.76,454 1.047,455 0.771,456 0.976,457 0.65,458 0.919,459 1.005,460 1.214,461 0.982,462 1.147,463 0.936,464 1.071,465 1.055,466 1.001,467 0.999,468 0.962,469 1.006,470 0.986,471 1.093,472 1.017,473 1.06,474 0.982,475 1.063,476 0.874,477 1.12,478 1.108,479 1.248,480 1.19,481 1.106,482 0.954,483 1.283,484 0.875,485 1.173,486 0.852,487 1.303,488 0.958,489 1.156,490 1.084,491 1.058,492 1.012,493 1.101,494 1.017,495 10.5,496 0.47,497 6.667,498 3.861,499 3.049,500 2.125,501 1.258,502 0.872,503 0.78,504 0.53,505 37060,506 127394,507 2.076,508 35.3,510 13,511 2,512 1,513 8,518 1.821,519 1.906,520 4.02,521 4.642,524 130.593,525 1.92,526 4.52,527 5.301,528 5.753,529 5.852,530 5.852,531 3.508,532 5.232,533 5.427,534 4.224,535 3995.53,536 9.606,537 75509.5,539 413.947,540 1.625,541 5.369,542 0.214,543 0.009,544 0.091,545 0.052,546 0.043,547 0.031,548 0.018,549 0.014,550 0.013,551 0.009,552 0.494,553 0.17,554 0.5,555 0.571,556 257.669,557 -0.119,558 -0.098,559 0.126,560 -0.063,561 -0.234,562 0.066,563 0.155,564 0.095,565 -0.001,566 0.009,567 0.11,568 -0.033,569 -0.005,570 -0.187,571 -0.046,572 -0.134,573 -0.04,574 -0.115,575 0.032,576 -0.024,577 0.001,578 -0.008,579 0.054,580 -0.041,581 -0.047,582 -0.022,583 0.077,584 0.06,585 -0.073,586 0.1,587 0.034,588 -0.069,589 -0.098,590 -0.117,591 0.1,592 -0.041,593 -0.098,594 0.119,595 -0.203,596 0.054,597 -0.097,598 -0.077,599 -0.15,600 -0.073,601 -0.102,602 -0.049,603 -0.091,604 -0.07,605 5.62,606 5.372,607 0.705,608 65.316,609 1.043,610 1.139,611 1.876,612 3.518,613 0.672,614 3.912,615 4.304,616 4.595,617 4.875,618 5.081,619 5.247,620 5.398,621 5.587,622 5.743,623 5.872,624 9.751,625 0.674,626 624.66,627 3.912,628 5.501,629 6.375,630 7.283,631 8.172,632 9.083,633 9.98,634 10.893,635 11.795,636 12.71,637 14.7,640 2,643 1,644 2,646 5,650 2,651 10,652 5,653 7,654 2,655 27,659 2,663 1,666 68,667 30,668 2,669 49,671 73,672 25,673 19,674 4,675 8,676 1,677 6,678 7,683 3,686 3,688 20,689 5,691 3,693 1,694 3,697 1,700 24,701 16,702 8,703 19,704 1,706 1,707 10,711 0.833,712 8,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 44,740 2,742 1,743 3,744 1,745 1,746 2,747 4,751 1,754 11.8,755 2,756 1,757 3,758 2,761 23.083,762 11.583,763 9.306,764 3.472,765 4.835,766 1.517,767 0.955,768 7.95,769 14.181,770 4.197,771 4.864,772 5.426,773 6.028,774 6.517,775 6.917,776 7.362,777 7.829,778 8.222,779 8.619,780 0.917,781 74,782 17.032,783 8.312,784 8.225,785 29.503,786 24.783,787 2.725,788 119.917,789 188.338,790 130.255,791 169.435,793 217.053,795 7.511,796 122.744,797 405.391,798 169.435,800 20.997,801 243.53,802 242.056,803 17.704,804 27.769,805 153.024,807 188.338,808 292.179,809 217.053,810 7.511,812 188.338,813 112.141,814 104.912,815 41.807,816 166.812,817 91.071,819 188.338,820 386.488,821 130.255,823 7.511,824 188.338,825 29.268,826 97.152,827 16.405,828 366.408,829 188.338,830 386.488,831 130.255,833 0.602,834 0.354,835 0.185,836 0.096,837 37,838 18,839 0.11,840 8,841 1,842 1.065,843 5.2,844 469.747,845 0.065,846 31,847 234.215,848 1,849 29.858,850 11.715,851 5.978,852 0.268,853 382.813,854 15.112,855 21.062,856 1.1,857 2.571,858 210.249,859 705.081,860 65.5,862 -4.704,863 37.015,866 -1.139,867 70.898,868 77.485,869 0.315,870 0.742,871 0.871,872 0.945,873 0.961,874 0.961,875 5.475,876 2.25,877 6.412,878 7.862,879 4.99,880 5.553,881 2.31,882 7.288,883 4.894,884 6.726,885 1.942,886 8.021,887 6.104,888 4.796,889 5.602,891 8.401,892 4.668,893 8.078,894 1.882,895 9.731,896 5.916,897 6.688,898 7.854,899 2.87,900 11.461,901 6.508,902 9.467,903 1.674,904 11.497,905 5.163,906 7.28,907 8.708,909 13.349,910 7.064,911 10.887,912 1.586,913 13.299,914 4.786,915 8.69,916 10.482,917 3.593,918 15.967,919 8.429,920 12.328,921 1.414,922 15.125,923 4.743,924 9.606,925 11.683,927 18.153,928 9.306,929 13.787,930 1.196,931 16.967,932 3.281,933 10.849,934 13.284,935 4.417,936 20.631,937 10.507,938 3.319,939 1.046,940 18.821,941 3.07,942 11.903,943 14.643,945 22.942,946 11.519,947 3.235,948 11.665,949 20.685,950 2.959,951 13.087,952 16.179,953 5.291,954 25.374,955 12.663,956 3.067,957 11.105,958 22.556,959 4.625,960 14.201,961 17.613,963 27.742,964 13.735,965 2.932,966 10.256,967 24.432,968 4.489,969 15.367,970 19.126,971 6.188,972 30.163,973 14.861,974 2.882,975 9.497,976 26.314,977 4.021,978 16.508,979 20.597,981 32.559,982 15.961,983 2.623,984 9.476,985 28.2,986 3.899,987 17.672,988 22.104,989 7.095,990 34.98,991 17.084,992 2.376,993 8.538,994 30.09,995 3.582,996 18.827,997 23.594,999 37.392,1000 18.199,1001 34464,1002 64187,1003 32.134,1004 45.67,1005 75.956,1006 78,1007 78.377,1008 75.204,1009 75.183,1010 99.252,1011 7.2,1012 229.59,1013 71.476,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 26.318,1024 1.55,1025 1.592,1026 1.6,1027 1.535,1028 1.534,1029 2.026,1030 0.147,1031 4.686,1032 1.459,1033 4.139,1034 4.19,1035 4.71,1036 3.953,1037 7.725,1038 3.98,1039 3.989,1040 4.009,1041 4.115,1042 3.882,1043 7.428,1044 3.871,1045 3.966,1046 3.977,1047 3.927,1048 3.858,1049 6.999,1050 3.863,1051 3.855,1052 3.858,1053 3.855,1054 3.764,1055 6.495,1056 3.693,1057 3.775,1058 3.786,1059 3.739,1060 3.591,1061 6.468,1062 3.587,1063 3.686,1064 3.72,1065 3.64,1066 3.471,1067 6.4,1068 3.505,1069 3.306,1070 3.385,1071 3.237,1072 3.066,1073 5.29,1074 3.097,1075 3.201,1076 3.225,1077 3.17,1078 2.983,1079 5.127,1080 3.006,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.251,1093 0.065,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.912,1100 1.885,1101 2.012,1102 2.041,1103 1.172,1104 2.012,1105 1.897,1106 1.883,1107 1.991,1108 2.005,1109 1.098,1110 2.006,1111 1.811,1112 1.765,1113 1.847,1114 1.991,1115 1.065,1116 1.976,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 1,1122 1.869,1123 1.558,1124 1.535,1125 1.653,1126 1.814,1127 0.783,1128 1.782,1129 1.442,1130 1.421,1131 1.484,1132 1.683,1133 0.579,1134 1.68,1135 1.367,1136 1.317,1137 1.364,1138 1.591,1139 0.549,1140 1.556,1141 1.151,1142 1.089,1143 1.318,1144 1.461,1145 0.405,1146 1.415,1147 4.595,1149 5.969,1150 3.434,1151 7.517,1152 5.82,1153 9.142,1154 7.934,1155 10.81,1161 11.872,1162 31.178,1163 -0.778,1164 1.655,1165 10.559,1166 -5.855,1170 45.807,1171 130.593,1172 307.344,1173 360.438,1174 391.193,1175 397.947,1176 397.947,1177 117.58,1178 9.346,1179 268.74,1180 277.12,1181 33,1182 13.225,1183 4.954,1184 4.129,1185 66.291,1186 255,1187 281,1188 0.123,1189 279.206,1190 476.91,1191 673.023,1192 196474,1194 31.173,1195 0.708,1196 0.527,1197 31.423,1198 23.183,1199 21.003,1200 0.429,1201 0.29,1202 12.614,1203 19.048,1204 12.402,1205 10.149,1206 21.856,1207 14.211,1208 20.319,1209 0.278,1210 0.15,1211 21.628,1212 10.985,1213 17.169,1214 0.175,1215 0.077,1216 18.017,1217 7.588,1218 14.303,1219 0.11,1220 0.04,1221 15.153,1222 5.189,1223 10.907,1224 0.068,1225 0.021,1226 11.656,1227 3.418,1228 0.198,1229 143.782,1230 0.176,1231 39.139,1232 0.326,1233 244,1234 886.46,1235 318.045,1236 857.097,1237 1153.87,1238 790,1239 293,1240 826.695,1241 380.532,1242 860.285,1243 1269.33,1244 806,1245 9.056}
{0 CHEMBL612042,1 1.78,2 20.745,3 3.409,4 11.618,5 170.622,6 7.835,7 0.412,8 4.573,9 4.685,10 4.257,11 4.003,12 5.692,13 4.009,14 5.142,15 5.302,16 4.571,17 4.4,18 6.402,19 4.381,20 5.417,21 5.63,22 4.638,23 4.505,24 6.584,25 4.46,26 5.464,27 5.684,28 4.667,29 4.49,30 6.763,31 4.45,32 5.414,33 5.635,34 4.663,35 4.473,36 6.59,37 4.425,38 5.403,39 5.608,40 4.672,41 4.443,42 6.773,43 4.423,44 5.38,45 5.59,46 4.543,47 4.399,48 6.688,49 4.369,50 5.292,51 5.505,52 4.483,53 4.365,54 6.508,55 4.327,56 0.359,57 1.32,58 21.291,59 7.473,60 49.651,61 9.572,62 1.15,63 2.011,64 36.713,65 12.92,66 121.755,67 17.156,68 1.57,69 2.292,70 55.94,71 16.051,72 171.145,73 22.519,74 1.997,75 2.308,76 59.652,77 15.504,78 246.685,79 22.014,80 1.697,81 2.248,82 59.141,83 15.079,84 176.601,85 21.151,86 1.904,87 2.206,88 59.604,89 14.131,90 251.887,91 19.905,92 1.935,93 2.109,94 53.871,95 13.142,96 225.087,97 18.935,98 1.37,99 2.032,100 48.376,101 12.151,102 167.877,103 18.11,104 74,105 72,106 0.266,107 0.615,108 0.767,109 0.835,110 0.879,111 0.903,112 3.874,113 0.995,114 -5.71,115 -5.58,116 -5.2,119 33.7,120 1,121 9,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 13,159 10,160 2,162 1,163 5,165 3,166 12,168 5,169 4,170 1,171 4,172 1,173 3,175 9,177 9,178 8,180 3,181 6,182 1,183 3,185 6,187 5,188 9,189 1,190 5,192 1,194 5,197 4,198 11,200 2,201 9,202 1,206 4,211 7,212 10,215 5,216 2,217 1,219 1,220 3,221 1,223 1,224 8,227 4,228 1,229 2,231 1,232 2,233 1,234 7,235 11,237 1,238 7,240 3,243 1,244 1,246 6098,247 31.405,248 31.405,249 31.405,250 31.405,251 31.405,252 28.49,253 30.68,254 18.669,255 32.02,256 25.121,257 25.121,258 25.121,259 25.121,260 25.121,261 20.546,262 34.349,263 8.874,264 26.266,265 4.646,266 2.313,267 1.291,268 0.835,269 0.544,270 0.381,271 4.569,276 2072,277 5.244,280 411.105,281 334.224,282 225.299,284 3.686,285 83.532,287 0.33,288 0.33,289 0.7,290 1,291 0.17,293 0.36,294 106.5,295 975,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.991,318 3.057,319 3.899,320 0.98,321 10.249,322 2.863,323 4.256,324 3.212,325 6.341,326 3.874,327 2.884,328 3.87,330 9.481,331 2.835,332 4.114,333 2.96,334 6.157,335 3.765,336 2.82,337 3.337,339 9.116,340 2.665,341 3.7,342 2.677,343 5.881,344 3.343,345 2.412,346 3.005,347 7.921,348 2.238,349 3.56,350 2.622,351 5.303,352 3.194,353 2.247,354 2.879,355 6.78,356 2.122,357 3.357,358 2.455,359 5.245,360 2.928,361 1.942,362 2.592,363 5.916,364 1.908,365 3.043,366 2.243,367 4.868,368 2.896,369 1.898,370 2.129,371 5.163,372 1.892,373 2.933,374 1.969,375 4.794,376 2.82,377 1.881,378 2.025,379 4.75,380 1.747,381 2.861,382 1.899,383 4.362,384 2.631,385 1.64,386 2.015,387 4.108,388 1.624,389 2.851,390 1.645,391 4.143,392 2.478,393 1.587,394 1.888,395 3.747,396 1.406,397 2.734,398 1.543,399 3.895,400 2.392,401 1.417,402 1.764,403 3.131,404 1.377,405 2.611,406 1.469,407 3.894,408 2.374,409 1.414,410 1.617,411 3.07,412 1.353,413 2.55,414 1.465,415 3.686,416 2.141,417 1.169,418 1.512,419 2.98,420 1.134,421 21.6,422 0.46,423 1.269,424 0.027,425 55,426 1.17,427 23.5,428 0.5,429 31.5,430 0.67,431 51.069,432 1.087,433 54.6,434 0.635,435 52.635,436 1.12,437 10.023,438 0.213,439 12.552,440 0.267,441 0.134,442 0.039,443 0.315,447 0.799,448 1.512,449 0.804,450 1.368,451 0.831,452 1.045,453 0.673,454 1.162,455 0.819,456 1.117,457 0.577,458 1.068,459 0.846,460 1.132,461 0.849,462 1.058,463 0.793,464 0.971,465 0.936,466 0.951,467 0.885,468 0.917,469 0.893,470 0.91,471 0.953,472 1.025,473 0.952,474 0.994,475 0.954,476 0.895,477 0.988,478 1.067,479 1.093,480 1.104,481 0.983,482 0.929,483 1.134,484 0.952,485 1.039,486 0.893,487 1.149,488 0.951,489 1.06,490 1.117,491 0.994,492 1.017,493 1.015,494 1.01,495 9.5,496 0.482,497 5.778,498 3.833,499 2.862,500 1.865,501 1.269,502 0.859,503 0.701,504 0.513,505 45300,506 127349,507 2.035,508 45.3,509 19,510 9,511 2,512 1,513 6,514 2,518 1.835,519 1.886,520 4.239,521 2.914,524 153.117,525 1.78,526 4.113,527 5.135,528 5.592,529 5.883,530 6.045,531 3.805,532 5.384,533 5.511,534 4.461,535 4822.21,536 9.778,537 100581,539 552.659,540 1.569,541 5.471,542 0.186,543 0.008,544 0.08,545 0.053,546 0.04,547 0.027,548 0.017,549 0.013,550 0.011,551 0.008,552 0.444,554 0.38,555 1.617,556 284.469,557 -0.024,558 -0.154,559 0.152,560 -0.105,561 -0.14,562 0.012,563 0.238,564 0.01,565 0.052,566 -0.062,567 0.177,568 -0.062,569 0.123,570 -0.131,571 0.128,572 -0.045,573 0.069,574 0.033,575 0.145,576 0.032,577 0.116,578 0.036,579 0.155,580 0.048,581 0.071,582 -0.012,583 0.138,584 0.039,585 0.012,586 0.083,587 0.142,588 -0.027,589 0.038,590 -0.058,591 0.174,592 0.025,593 0.033,594 0.053,595 -0.053,596 0.026,597 0.02,598 -0.026,599 -0.057,600 -0.073,601 -0.029,602 -0.058,603 -0.025,604 -0.052,605 5.606,606 5.404,607 0.532,608 91.344,609 1.022,610 1.143,611 4.481,612 20.082,613 0.637,614 3.951,615 4.29,616 4.554,617 4.82,618 4.997,619 5.165,620 5.323,621 5.505,622 5.635,623 5.753,624 11.301,625 0.616,626 673.84,627 3.951,628 5.509,629 6.361,630 7.251,631 8.125,632 9.025,633 9.913,634 10.82,635 11.716,636 12.628,637 10.5,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 86,667 24,668 1,669 51,671 90,672 29,673 13,674 2,675 4,676 1,677 5,678 6,681 1,683 3,686 12,688 14,689 15,691 3,693 1,694 3,697 1,700 39,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 47,740 1,742 1,743 3,744 10,745 1,746 2,747 4,751 1,754 9.3,755 2,756 1,757 3,758 2,761 24.917,762 14.917,763 10.361,764 5.395,765 3.778,766 1.411,767 0.918,768 11.659,769 12.982,770 4.182,771 4.779,772 5.298,773 5.882,774 6.327,775 6.732,776 7.171,777 7.62,778 7.938,779 8.262,780 1,781 73,782 18.238,783 8.597,784 8.055,785 32.681,786 27.148,787 2.555,788 120.083,789 388.446,790 118.044,791 136.538,793 217.053,795 7.511,796 110.533,797 605.5,798 136.538,799 8.825,800 43.808,801 172.728,802 242.056,803 11.762,804 27.769,805 353.133,807 388.446,808 247.071,809 217.053,810 7.511,812 388.446,813 112.141,814 104.912,815 73.443,816 90.068,817 91.071,819 388.446,820 353.591,821 118.044,823 7.511,824 388.446,825 46.137,826 68.072,827 16.405,828 333.51,829 388.446,830 353.591,831 118.044,833 0.581,834 0.335,835 0.175,836 0.089,837 32,838 16,839 0.178,840 16,841 1,842 1.08,843 5.558,844 481.817,845 0.08,846 25,847 257.066,848 1,849 34.944,850 15.681,851 8.565,852 0.362,853 349.915,854 8.361,855 21.394,856 0.196,857 2.719,858 177.352,859 860.082,860 64.5,862 -4.689,863 37.106,866 -1.125,867 87.865,868 98.308,869 0.277,870 0.64,871 0.799,872 0.87,873 0.915,874 0.941,875 5.443,876 1.942,877 6.372,878 6.78,879 4.977,880 5.468,881 2.31,882 7.22,883 4.882,884 6.659,885 1.898,886 7.96,887 5.916,888 4.691,889 5.497,891 8.313,892 4.555,893 7.994,894 1.881,895 9.656,896 5.163,897 6.635,898 7.73,899 2.87,900 11.38,901 6.449,902 9.372,903 1.64,904 11.415,905 4.75,906 7.186,907 8.613,909 13.276,910 6.955,911 10.787,912 1.587,913 13.215,914 4.108,915 8.617,916 10.365,917 3.593,918 15.899,919 8.342,920 12.228,921 1.417,922 15.041,923 3.747,924 9.523,925 11.599,927 18.095,928 9.202,929 13.688,930 1.414,931 16.885,932 3.131,933 10.775,934 13.188,935 4.417,936 20.578,937 10.412,938 3.319,939 1.169,940 18.742,941 3.07,942 11.829,943 14.571,945 22.898,946 11.422,947 3.235,948 11.664,949 20.609,950 2.98,951 13.019,952 16.103,953 5.291,954 25.335,955 12.571,956 3.057,957 11.105,958 22.484,959 4.624,960 14.136,961 17.553,963 27.709,964 13.646,965 2.884,966 10.249,967 24.364,968 4.489,969 15.306,970 19.066,971 6.188,972 30.134,973 14.776,974 2.82,975 9.481,976 26.25,977 3.899,978 16.451,979 20.547,981 32.535,982 15.88,983 2.412,984 9.116,985 28.14,986 3.87,987 17.618,988 22.056,989 7.095,990 34.958,991 17.007,992 2.247,993 7.921,994 30.033,995 3.337,996 18.777,997 23.553,999 37.374,1000 18.125,1001 43522,1002 74166,1003 33.402,1004 54.756,1005 76.157,1006 78.566,1007 79.105,1008 76.016,1009 75.912,1010 95.626,1011 7.2,1012 221.903,1013 72.326,1014 5.683,1015 6.473,1016 6.911,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 27.932,1024 1.493,1025 1.541,1026 1.551,1027 1.491,1028 1.488,1029 1.875,1030 0.141,1031 4.351,1032 1.418,1033 4.136,1034 4.189,1035 4.71,1036 3.941,1037 7.725,1038 3.971,1039 3.99,1040 3.979,1041 4.111,1042 3.879,1043 7.428,1044 3.865,1045 3.901,1046 3.96,1047 3.86,1048 3.765,1049 6.999,1050 3.73,1051 3.847,1052 3.861,1053 3.845,1054 3.721,1055 6.495,1056 3.69,1057 3.788,1058 3.828,1059 3.704,1060 3.632,1061 6.468,1062 3.623,1063 3.734,1064 3.738,1065 3.614,1066 3.568,1067 6.4,1068 3.562,1069 3.605,1070 3.679,1071 3.433,1072 3.445,1073 5.287,1074 3.436,1075 3.393,1076 3.476,1077 3.257,1078 3.212,1079 5.057,1080 3.203,1081 0.092,1082 0.088,1083 0.136,1084 0.083,1085 0.065,1086 4.705,1087 0.091,1088 4.473,1089 0.031,1090 6.935,1091 0.229,1092 4.251,1093 0.063,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 2.067,1102 2.038,1103 1.425,1104 2.011,1105 1.828,1106 1.777,1107 1.991,1108 2.005,1109 1.284,1110 2.006,1111 1.809,1112 1.754,1113 1.961,1114 1.972,1115 1.172,1116 1.985,1117 1.701,1118 1.676,1119 1.851,1120 1.866,1121 1.074,1122 1.899,1123 1.646,1124 1.639,1125 1.794,1126 1.858,1127 1.065,1128 1.869,1129 1.56,1130 1.535,1131 1.773,1132 1.814,1133 1.001,1134 1.784,1135 1.519,1136 1.456,1137 1.653,1138 1.701,1139 0.836,1140 1.732,1141 1.441,1142 1.418,1143 1.588,1144 1.683,1145 0.77,1146 1.68,1147 4.635,1149 5.969,1150 3.434,1151 7.479,1152 5.82,1153 9.077,1154 7.928,1155 10.726,1157 2.206,1161 6.168,1162 31.272,1163 9.564,1164 1.673,1165 10.619,1166 -5.743,1170 53,1171 153.117,1172 353.747,1173 441.639,1174 480.884,1175 505.904,1176 519.904,1177 148.567,1178 9.203,1179 242.72,1180 251.1,1181 27,1182 13.146,1183 4.644,1184 3.858,1185 82.457,1186 308,1187 443,1188 0.125,1189 326.957,1190 566.29,1191 789.535,1192 174153,1194 33.553,1195 0.714,1196 0.567,1197 33.803,1198 26.66,1199 22.575,1200 0.443,1201 0.332,1202 15.324,1203 20.655,1204 15.024,1205 12.446,1206 23.428,1207 16.912,1208 20.668,1209 0.287,1210 0.176,1211 21.977,1212 12.694,1213 16.976,1214 0.181,1215 0.093,1216 17.824,1217 8.716,1218 14.007,1219 0.114,1220 0.049,1221 14.858,1222 5.992,1223 10.356,1224 0.07,1225 0.027,1226 11.104,1227 3.927,1228 0.205,1229 152.923,1230 0.173,1231 41.887,1232 0.323,1233 246,1234 845.148,1235 319.018,1236 812.828,1237 1090.31,1238 750,1239 289,1240 773.85,1241 375.532,1242 804.313,1243 1186.15,1244 754,1245 8.292}
{0 CHEMBL612044,1 1.747,2 22.327,3 4.321,4 18.67,5 179.824,6 7.629,7 0.396,8 4.631,9 4.746,10 4.289,11 4.066,12 5.727,13 4.063,14 5.206,15 5.372,16 4.598,17 4.463,18 6.433,19 4.433,20 5.489,21 5.711,22 4.664,23 4.571,24 6.618,25 4.512,26 5.532,27 5.761,28 4.692,29 4.557,30 6.791,31 4.503,32 5.485,33 5.715,34 4.688,35 4.541,36 6.623,37 4.479,38 5.475,39 5.69,40 4.697,41 4.513,42 6.801,43 4.477,44 5.454,45 5.673,46 4.572,47 4.472,48 6.718,49 4.427,50 5.372,51 5.595,52 4.513,53 4.441,54 6.544,55 4.387,56 0.338,57 1.398,58 23.321,59 8.119,60 47.416,61 10.649,62 1.134,63 2.135,64 40.266,65 14.048,66 121.808,67 19.004,68 1.543,69 2.444,70 60.714,71 17.455,72 170.033,73 24.932,74 1.98,75 2.462,76 64.448,77 16.903,78 247.669,79 24.435,80 1.676,81 2.401,82 63.922,83 16.477,84 176.815,85 23.58,86 1.899,87 2.359,88 64.417,89 15.524,90 254.294,91 22.366,92 1.928,93 2.262,94 58.739,95 14.557,96 226.665,97 21.425,98 1.355,99 2.184,100 53.311,101 13.573,102 168.875,103 20.606,104 76,105 74,106 0.258,107 0.589,108 0.735,109 0.802,110 0.848,111 0.881,112 3.914,113 1.014,114 -6.09,115 -5.94,116 -5.52,119 33.7,120 1,121 11,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 15,159 10,160 2,162 1,163 5,165 3,166 14,168 5,169 4,170 1,171 4,172 1,173 3,175 11,177 9,178 8,180 3,181 6,182 1,183 3,185 8,187 5,188 9,189 1,190 5,192 1,194 7,197 4,198 11,200 2,201 9,202 1,206 6,211 7,212 10,215 5,216 2,217 1,219 1,220 5,221 1,223 1,224 8,227 4,228 1,229 2,231 1,232 4,233 1,234 7,235 11,237 1,238 7,240 3,243 3,244 1,246 7055,247 32.819,248 32.819,249 32.819,250 32.819,251 32.819,252 29.904,253 30.68,254 19.669,255 33.434,256 26.121,257 26.121,258 26.121,259 26.121,260 26.121,261 21.546,262 34.349,263 9.374,264 27.266,265 4.777,266 2.536,267 1.543,268 1.09,269 0.78,270 0.552,271 4.61,276 2320,277 5.431,280 435.944,281 352.91,282 239.36,284 3.911,285 83.957,287 0.17,288 0.33,289 0.7,290 1,291 0.17,293 0.34,294 110.5,295 1094,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.991,318 3.057,319 3.899,320 0.98,321 10.249,322 2.863,323 4.256,324 3.212,325 6.341,326 3.874,327 2.884,328 3.87,330 9.481,331 2.835,332 4.114,333 2.96,334 6.157,335 3.765,336 2.82,337 3.337,339 9.116,340 2.665,341 3.7,342 2.677,343 5.881,344 3.343,345 2.412,346 3.005,347 7.921,348 2.238,349 3.56,350 2.622,351 5.303,352 3.194,353 2.247,354 2.879,355 6.78,356 2.122,357 3.357,358 2.455,359 5.245,360 2.929,361 1.942,362 2.592,363 5.916,364 1.925,365 3.043,366 2.243,367 4.868,368 2.927,369 1.929,370 2.129,371 5.163,372 1.908,373 2.947,374 1.969,375 4.794,376 2.82,377 1.881,378 2.026,379 4.75,380 1.747,381 2.873,382 1.93,383 4.362,384 2.731,385 1.736,386 2.015,387 4.109,388 1.727,389 2.861,390 1.737,391 4.143,392 2.481,393 1.587,394 1.921,395 3.826,396 1.461,397 2.742,398 1.543,399 3.927,400 2.468,401 1.495,402 1.77,403 3.384,404 1.405,405 2.706,406 1.527,407 3.894,408 2.392,409 1.414,410 1.717,411 3.07,412 1.377,413 2.55,414 1.469,415 3.734,416 2.298,417 1.334,418 1.512,419 2.988,420 1.282,421 22.6,422 0.461,423 1.269,424 0.026,425 56,426 1.143,427 23.5,428 0.48,429 32.5,430 0.663,431 55.223,432 1.127,433 57.2,434 0.622,435 53.347,436 1.089,437 10.023,438 0.205,439 13.552,440 0.277,441 0.128,442 0.037,443 0.301,447 0.791,448 1.513,449 0.82,450 1.373,451 0.824,452 1.068,453 0.662,454 1.18,455 0.835,456 1.14,457 0.569,458 1.093,459 0.823,460 1.121,461 0.84,462 1.052,463 0.773,464 0.968,465 0.912,466 0.952,467 0.875,468 0.92,469 0.872,470 0.912,471 0.925,472 1.021,473 0.936,474 0.992,475 0.928,476 0.899,477 0.957,478 1.059,479 1.067,480 1.094,481 0.955,482 0.93,483 1.096,484 0.952,485 1.016,486 0.899,487 1.113,488 0.95,489 1.019,490 1.104,491 0.971,492 1.013,493 0.978,494 1.004,495 9.5,496 0.482,497 5.778,498 3.833,499 2.862,500 1.865,501 1.269,502 0.859,503 0.701,504 0.513,505 52266,506 140359,507 2.034,508 46.7,509 23,510 9,511 2,512 1,513 6,514 2,518 1.844,519 1.891,520 4.336,521 2.861,524 160.729,525 1.747,526 3.987,527 4.981,528 5.434,529 5.743,530 5.972,531 3.913,532 5.451,533 5.569,534 4.566,535 5369.98,536 9.89,537 117996,539 600.168,540 1.543,541 5.534,542 0.179,543 0.008,544 0.078,545 0.051,546 0.039,547 0.026,548 0.017,549 0.013,550 0.011,551 0.008,552 0.43,554 0.38,555 1.802,556 301.737,557 -0.012,558 -0.146,559 0.151,560 -0.099,561 -0.129,562 0.011,563 0.248,564 -0.004,565 0.049,566 -0.075,567 0.184,568 -0.073,569 0.139,570 -0.122,571 0.137,572 -0.039,573 0.081,574 0.039,575 0.163,576 0.03,577 0.125,578 0.035,579 0.169,580 0.05,581 0.091,582 -0.011,583 0.148,584 0.038,585 0.028,586 0.083,587 0.165,588 -0.025,589 0.059,590 -0.051,591 0.191,592 0.032,593 0.061,594 0.05,595 -0.028,596 0.025,597 0.043,598 -0.015,599 -0.028,600 -0.067,601 -0.005,602 -0.05,603 -0.003,604 -0.036,605 5.608,606 5.421,607 0.51,608 104.016,609 1.018,610 1.143,611 4.864,612 23.661,613 0.633,614 3.989,615 4.317,616 4.575,617 4.836,618 5.011,619 5.176,620 5.333,621 5.513,622 5.642,623 5.759,624 12.105,625 0.609,626 701.9,627 3.989,628 5.541,629 6.389,630 7.273,631 8.144,632 9.04,633 9.925,634 10.83,635 11.725,636 12.635,637 9.8,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 92,667 24,668 1,669 53,671 96,672 31,673 13,674 2,675 4,676 1,677 5,678 6,681 1,683 3,686 14,688 14,689 17,691 3,693 1,694 3,697 1,700 43,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 49,740 1,742 1,743 3,744 12,745 1,746 2,747 4,751 1,754 8.7,755 2,756 1,757 3,758 2,761 25.917,762 15.917,763 10.861,764 5.895,765 3.795,766 1.408,767 0.917,768 12.819,769 13.099,770 4.212,771 4.796,772 5.308,773 5.888,774 6.33,775 6.734,776 7.173,777 7.621,778 7.939,779 8.262,780 1,781 75,782 18.998,783 8.887,784 8.012,785 34.314,786 28.482,787 2.512,788 123.083,789 435.531,790 123.113,791 136.538,793 217.053,795 7.511,796 115.602,797 652.584,798 136.538,799 8.825,800 48.877,801 172.728,802 242.056,803 11.762,804 27.769,805 400.217,807 435.531,808 252.14,809 217.053,810 7.511,812 435.531,813 112.141,814 104.912,815 78.512,816 90.068,817 91.071,819 435.531,820 353.591,821 123.113,823 7.511,824 435.531,825 51.206,826 68.072,827 16.405,828 333.51,829 435.531,830 353.591,831 123.113,833 0.578,834 0.331,835 0.173,836 0.088,837 32,838 16,839 0.188,840 18,841 1,842 1.08,843 5.772,844 502.012,845 0.08,846 25,847 271.121,848 1,849 36.893,850 17.026,851 9.45,852 0.364,853 349.915,854 8.375,855 21.458,856 0.204,857 2.728,858 177.352,859 912.235,860 66.5,862 -4.691,863 37.155,866 -1.125,867 93.632,868 105.138,869 0.268,870 0.611,871 0.763,872 0.833,873 0.88,874 0.915,875 5.469,876 1.942,877 6.392,878 6.78,879 5.004,880 5.485,881 2.31,882 7.232,883 4.912,884 6.677,885 1.929,886 7.973,887 5.916,888 4.691,889 5.497,891 8.313,892 4.555,893 8.007,894 1.881,895 9.665,896 5.163,897 6.65,898 7.735,899 2.87,900 11.383,901 6.468,902 9.381,903 1.736,904 11.421,905 4.75,906 7.186,907 8.613,909 13.276,910 6.955,911 10.793,912 1.587,913 13.218,914 4.109,915 8.625,916 10.366,917 3.593,918 15.9,919 8.352,920 12.232,921 1.495,922 15.043,923 3.826,924 9.523,925 11.599,927 18.095,928 9.202,929 13.69,930 1.414,931 16.886,932 3.384,933 10.778,934 13.188,935 4.417,936 20.578,937 10.416,938 3.319,939 1.334,940 18.743,941 3.07,942 11.829,943 14.571,945 22.898,946 11.422,947 3.235,948 11.664,949 20.61,950 2.988,951 13.02,952 16.103,953 5.291,954 25.335,955 12.573,956 3.057,957 11.105,958 22.484,959 4.624,960 14.136,961 17.553,963 27.709,964 13.646,965 2.884,966 10.249,967 24.365,968 4.489,969 15.307,970 19.066,971 6.188,972 30.134,973 14.776,974 2.82,975 9.481,976 26.25,977 3.899,978 16.451,979 20.547,981 32.535,982 15.88,983 2.412,984 9.116,985 28.14,986 3.87,987 17.619,988 22.056,989 7.095,990 34.958,991 17.007,992 2.247,993 7.921,994 30.033,995 3.337,996 18.777,997 23.553,999 37.374,1000 18.125,1001 50310,1002 84050,1003 34.789,1004 58.279,1005 78.653,1006 81.099,1007 81.623,1008 78.578,1009 78.461,1010 98.174,1011 7.2,1012 226.999,1013 74.875,1014 5.683,1015 6.473,1016 6.919,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 28.859,1024 1.484,1025 1.53,1026 1.54,1027 1.483,1028 1.48,1029 1.852,1030 0.136,1031 4.283,1032 1.413,1033 4.137,1034 4.189,1035 4.71,1036 3.942,1037 7.725,1038 3.971,1039 3.99,1040 3.981,1041 4.112,1042 3.879,1043 7.428,1044 3.865,1045 3.901,1046 3.961,1047 3.86,1048 3.765,1049 6.999,1050 3.731,1051 3.848,1052 3.874,1053 3.845,1054 3.727,1055 6.495,1056 3.693,1057 3.805,1058 3.834,1059 3.705,1060 3.652,1061 6.468,1062 3.642,1063 3.74,1064 3.748,1065 3.634,1066 3.576,1067 6.4,1068 3.567,1069 3.66,1070 3.722,1071 3.492,1072 3.507,1073 5.287,1074 3.498,1075 3.49,1076 3.57,1077 3.314,1078 3.324,1079 5.057,1080 3.312,1081 0.089,1082 0.084,1083 0.131,1084 0.08,1085 0.063,1086 4.705,1087 0.087,1088 4.473,1089 0.03,1090 6.935,1091 0.22,1092 4.251,1093 0.061,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 2.076,1102 2.038,1103 1.439,1104 2.019,1105 1.834,1106 1.779,1107 1.995,1108 2.005,1109 1.333,1110 2.006,1111 1.814,1112 1.762,1113 1.991,1114 1.981,1115 1.173,1116 1.987,1117 1.737,1118 1.677,1119 1.872,1120 1.899,1121 1.17,1122 1.933,1123 1.646,1124 1.675,1125 1.842,1126 1.858,1127 1.065,1128 1.869,1129 1.598,1130 1.542,1131 1.778,1132 1.816,1133 1.002,1134 1.807,1135 1.556,1136 1.524,1137 1.7,1138 1.767,1139 0.97,1140 1.779,1141 1.442,1142 1.42,1143 1.65,1144 1.683,1145 0.791,1146 1.68,1147 4.673,1149 5.999,1150 3.434,1151 7.502,1152 5.82,1153 9.093,1154 7.928,1155 10.737,1157 2.226,1161 6.183,1162 31.321,1163 12.317,1164 1.676,1165 10.636,1166 -5.745,1170 56.054,1171 160.729,1172 366.839,1173 458.219,1174 499.903,1175 528.393,1176 549.413,1177 158.527,1178 9.303,1179 242.72,1180 251.1,1181 27,1182 13.154,1183 4.644,1184 3.858,1185 88.16,1186 343,1187 503,1188 0.12,1189 346.142,1190 600.89,1191 836.346,1192 202293,1194 34.968,1195 0.714,1196 0.573,1197 35.218,1198 28.074,1199 23.575,1200 0.445,1201 0.338,1202 16.324,1203 21.655,1204 16.005,1205 13.279,1206 24.428,1207 17.912,1208 21.375,1209 0.289,1210 0.181,1211 22.684,1212 13.401,1213 17.476,1214 0.182,1215 0.096,1216 18.324,1217 9.216,1218 14.361,1219 0.115,1220 0.051,1221 15.211,1222 6.346,1223 10.606,1224 0.071,1225 0.028,1226 11.354,1227 4.177,1228 0.197,1229 158.923,1230 0.17,1231 43.54,1232 0.305,1233 254,1234 853.148,1235 327.018,1236 821.152,1237 1101.83,1238 758,1239 297,1240 781.85,1241 383.532,1242 812.636,1243 1197.67,1244 762,1245 8.577}
{0 CHEMBL612046,1 2.018,2 13.829,3 -0.528,4 0.697,5 114.081,6 9.76,7 0.421,8 4.14,9 4.222,10 4.014,11 3.531,12 5.478,13 3.604,14 4.652,15 4.752,16 4.334,17 3.914,18 6.201,19 3.981,20 4.903,21 5.034,22 4.426,23 4.026,24 6.35,25 4.077,26 4.988,27 5.14,28 4.45,29 4.006,30 6.591,31 4.056,32 4.93,33 5.094,34 4.42,35 3.974,36 6.367,37 4.004,38 4.895,39 5.033,40 4.401,41 3.898,42 6.583,43 3.966,44 4.846,45 4.998,46 4.207,47 3.797,48 6.479,49 3.855,50 4.678,51 4.837,52 4.08,53 3.711,54 6.211,55 3.745,56 0.476,57 0.851,58 9.148,59 4.029,60 75.166,61 3.484,62 1.139,63 1.241,64 14.236,65 6.903,66 127.801,67 6.566,68 1.625,69 1.391,70 25.113,71 8.987,72 197.837,73 9.009,74 1.942,75 1.383,76 29.1,77 8.982,78 263.752,79 9.183,80 1.711,81 1.319,82 31.353,83 8.864,84 209.068,85 8.962,86 1.75,87 1.218,88 32.29,89 8.372,90 264.549,91 8.176,92 1.791,93 1.107,94 26.145,95 7.037,96 250.001,97 6.81,98 1.284,99 1.011,100 21.078,101 6.198,102 196.864,103 6.644,104 67,105 56,106 0.331,107 0.753,108 0.858,109 0.905,110 0.917,111 0.917,112 3.588,113 0.877,114 -2.23,115 -2.27,116 -2.24,119 32.7,125 1,127 3,128 1,134 4,135 1,136 1,138 1,139 1,142 1,147 1,149 1,150 1,152 1,153 1,154 1,156 1,157 4,158 1,159 9,160 1,161 1,162 1,163 5,165 3,166 4,168 3,169 1,170 3,171 4,172 1,173 3,175 2,177 7,178 5,179 2,180 3,181 6,182 1,183 3,187 4,188 4,189 1,190 4,192 1,193 1,196 1,197 2,198 6,199 1,200 2,201 8,202 1,204 1,209 1,211 5,212 4,213 1,214 1,215 5,216 2,219 1,224 1,225 1,227 3,228 1,229 1,231 2,234 7,235 3,237 1,238 5,240 2,241 1,242 1,246 2261,247 22.938,248 22.938,249 22.938,250 22.938,251 22.938,252 20.079,253 25.461,254 13.145,255 23.494,256 18.65,257 18.65,258 18.65,259 18.65,260 18.65,261 14.455,262 28.461,263 6.111,264 19.692,265 3.683,266 1.118,267 0.476,268 0.192,269 0.115,270 0.115,271 4.274,276 1032,277 4.416,280 187.558,281 238.86,282 157.237,284 2.129,285 77.32,286 0.25,287 0.5,288 0.5,289 0.1,291 0.33,292 0.5,293 0.31,294 82.5,295 484,296 4.705,297 4.473,298 6.931,299 4.248,300 3.313,301 4.614,302 1.579,303 11.649,304 3.209,305 4.666,306 3.587,307 6.764,308 4.213,309 3.234,310 4.489,311 1.041,312 11.104,313 3.052,314 4.278,315 3.552,316 6.542,317 3.962,318 3.025,319 3.899,320 0.98,321 10.181,322 2.859,323 4.158,324 3.165,325 6.341,326 3.872,327 2.882,328 3.41,330 9.48,331 2.816,332 3.792,333 2.678,334 5.906,335 3.374,336 2.458,337 3.143,339 8.023,340 2.248,341 3.6,342 2.651,343 5.297,344 3.156,345 2.228,346 2.898,347 6.741,348 2.062,349 3.357,350 2.376,351 5.242,352 2.928,353 1.942,354 2.592,355 5.913,356 1.908,357 3.045,358 2.241,359 4.868,360 2.82,361 1.881,362 2.148,363 5.163,364 1.746,365 3.013,366 1.968,367 4.794,368 2.478,369 1.587,370 2.093,371 4.749,372 1.405,373 2.861,374 1.543,375 4.146,376 2.392,377 1.414,378 2.015,379 3.07,380 1.377,381 2.741,382 1.469,383 3.894,384 2.17,385 1.229,386 1.771,387 3.031,388 1.155,389 2.55,390 1.311,391 3.791,392 2.051,393 1.047,394 1.512,395 2.663,396 1.045,397 2.506,398 1.277,399 3.605,400 1.958,401 1.029,402 1.483,403 2.615,404 0.951,405 2.165,406 1.201,407 3.439,408 1.748,409 0.839,410 1.083,411 1.696,412 0.76,413 1.773,414 0.942,415 3.144,416 1.559,417 0.695,418 0.729,419 1.639,420 0.594,421 15.6,422 0.446,423 1.15,424 0.033,425 46.5,426 1.329,427 22,428 0.629,429 24.5,430 0.7,431 28.697,432 0.82,433 39.6,434 0.762,435 43.965,436 1.256,437 9.455,438 0.27,439 7.153,440 0.204,441 0.179,442 0.053,443 0.378,447 0.907,448 1.464,449 0.741,450 1.356,451 0.875,452 0.873,453 0.785,454 0.957,455 0.788,456 0.981,457 0.632,458 0.939,459 1.031,460 1.168,461 0.985,462 1.169,463 0.904,464 1.079,465 1.072,466 0.916,467 1.015,468 0.972,469 0.964,470 1.012,471 1.1,472 0.96,473 1.136,474 1.072,475 1.067,476 0.96,477 1.107,478 1.038,479 1.339,480 1.314,481 1.093,482 1.04,483 1.316,484 0.807,485 1.248,486 0.876,487 1.382,488 1.026,489 1.169,490 1.099,491 1.14,492 1.134,493 1.221,494 1.153,495 8.5,496 0.329,497 5.111,498 3.736,499 2.527,500 1.688,501 1.057,502 0.722,503 0.494,504 0.358,505 18068,506 74842,507 2.001,508 32.7,510 9,511 1,512 1,513 6,518 1.766,519 1.818,520 3.706,521 3.333,524 104.92,525 2.018,526 4.582,527 5.224,528 5.508,529 5.585,530 5.585,531 3.223,532 5.015,533 5.101,534 3.907,535 2324.47,536 8.951,537 36593.4,539 296.423,540 1.691,541 5.023,542 0.224,543 0.01,544 0.091,545 0.064,546 0.045,547 0.032,548 0.02,549 0.016,550 0.013,551 0.009,552 0.525,553 0.17,554 0.75,555 0.926,556 190.195,557 -0.153,558 -0.166,559 0.134,560 -0.129,561 -0.197,562 0.047,563 0.129,564 0.191,565 -0.029,566 0.027,567 0.113,568 -0.044,569 -0.03,570 -0.161,571 -0.032,572 -0.12,573 -0.049,574 -0.089,576 0.026,577 -0.008,578 0.006,579 0.053,580 -0.042,581 -0.075,582 0.003,583 0.035,584 0.031,585 -0.108,586 0.059,587 0.013,588 -0.063,589 -0.129,590 -0.163,591 0.065,592 -0.064,593 -0.147,594 0.098,595 -0.237,596 0.052,597 -0.156,598 -0.102,599 -0.158,600 -0.141,601 -0.125,602 -0.131,603 -0.142,604 -0.161,605 5.6,606 5.171,607 0.571,608 39.314,609 1.06,610 1.149,611 0.997,612 0.994,613 0.661,614 3.664,615 4.043,616 4.317,617 4.595,618 4.771,619 4.913,620 5.024,621 5.159,622 5.204,623 5.247,624 8,625 0.677,626 507.5,627 3.664,628 5.242,629 6.107,630 7.015,631 7.899,632 8.812,633 9.705,634 10.62,635 11.519,636 12.436,637 17.3,640 1,643 1,644 1,646 3,648 1,649 1,650 2,651 5,652 3,653 4,654 1,655 16,659 1,663 1,666 52,667 21,668 1,669 38,671 55,672 17,673 11,674 2,675 4,676 1,677 4,678 5,683 3,686 3,688 12,689 5,691 5,693 1,694 3,696 1,697 1,700 17,701 15,702 6,703 18,704 1,706 1,707 9,708 1,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 35,740 1,742 1,743 3,744 1,745 1,746 2,747 4,754 15.4,755 2,756 1,757 3,758 2,761 19.25,762 8.85,763 7.583,764 2.582,765 3.157,766 1.391,767 0.898,768 6.868,769 11.24,770 3.951,771 4.593,772 5.101,773 5.694,774 6.156,775 6.523,776 6.905,777 7.257,778 7.35,779 7.544,780 1,781 58,782 13.639,783 6.736,784 8.498,785 22.845,786 18.837,787 2.998,788 104.917,789 129.482,790 74.604,791 165.086,793 217.053,795 7.511,796 67.093,797 346.535,798 165.086,800 20.997,801 163.68,802 220.624,803 15.847,804 14.901,805 151.894,807 129.482,808 232.178,809 217.053,810 7.511,812 164.795,813 112.141,814 104.912,815 46.528,816 83.777,817 74.653,819 129.482,820 382.139,821 74.604,823 7.511,824 129.482,825 20.569,826 48.423,827 16.405,828 363.835,829 129.482,830 382.139,831 74.604,833 0.595,834 0.35,835 0.187,836 0.097,837 27,838 14,839 0.127,840 7,841 1,842 1.1,843 4.398,844 333.861,845 0.1,846 20,847 177.525,848 1,849 24.751,850 9.712,851 5.035,852 0.113,853 364.924,854 6.437,855 11.771,856 -1.184,857 1.187,858 177.352,859 586.225,860 51,862 -4.684,863 36.455,865 3.269,866 -1.146,867 55.145,868 59.741,869 0.354,870 0.804,871 0.916,872 0.966,873 0.98,874 0.98,875 5.226,876 1.881,877 6.151,878 5.913,879 4.727,880 5.281,881 2.31,882 7.036,883 4.618,884 6.475,885 1.587,886 7.768,887 5.163,888 4.575,889 5.38,891 8.201,892 4.441,893 7.831,894 1.414,895 9.488,896 4.749,897 6.438,898 7.589,899 2.87,900 11.255,901 6.237,902 9.225,903 1.229,904 11.266,905 3.07,906 7.066,907 8.492,909 13.18,910 6.84,911 10.651,912 1.047,913 13.08,914 3.031,915 8.465,916 10.248,917 3.593,918 15.805,919 8.185,920 12.1,921 1.029,922 14.917,923 2.663,924 9.41,925 11.491,927 18.018,928 9.099,929 13.566,930 0.839,931 16.77,932 2.615,933 10.652,934 13.089,935 4.417,936 20.507,937 10.294,938 3.313,939 0.695,940 18.635,941 1.696,942 11.727,943 14.479,945 22.837,946 11.334,947 3.234,948 11.649,949 20.509,950 1.639,951 12.916,952 16.02,953 5.291,954 25.28,955 12.48,956 3.025,957 11.104,958 22.39,959 4.614,960 14.044,961 17.476,963 27.66,964 13.571,965 2.882,966 10.181,967 24.277,968 4.489,969 15.217,970 18.996,971 6.188,972 30.089,973 14.704,974 2.458,975 9.48,976 26.168,977 3.899,978 16.369,979 20.483,981 32.494,982 15.817,983 2.228,984 8.023,985 28.063,986 3.41,987 17.539,988 21.997,989 7.095,990 34.921,991 16.948,992 1.942,993 6.741,994 29.961,995 3.143,996 18.703,997 23.498,999 37.339,1000 18.073,1001 17435,1002 35675,1003 24.274,1004 34.381,1005 58.187,1006 60.552,1007 60.986,1008 57.595,1009 57.605,1010 75.757,1011 7.2,1012 175.436,1013 54.375,1014 5.683,1015 6.473,1016 6.698,1017 5.364,1018 5.313,1019 7.614,1020 3.158,1021 19.363,1022 5.209,1023 22.391,1024 1.531,1025 1.593,1026 1.605,1027 1.516,1028 1.516,1029 1.994,1030 0.189,1031 4.617,1032 1.431,1033 4.115,1034 4.164,1035 4.709,1036 3.926,1037 7.725,1038 3.952,1039 3.987,1040 3.976,1041 4.091,1042 3.875,1043 7.428,1044 3.863,1045 3.855,1046 3.852,1047 3.856,1048 3.764,1049 6.999,1050 3.69,1051 3.759,1052 3.748,1053 3.722,1054 3.58,1055 6.728,1056 3.573,1057 3.475,1058 3.569,1059 3.462,1060 3.142,1061 6.495,1062 3.204,1063 3.248,1064 3.335,1065 3.181,1066 2.995,1067 6.468,1068 3.025,1069 3.187,1070 3.221,1071 3.154,1072 2.917,1073 6.4,1074 2.949,1075 3.069,1076 3.094,1077 2.955,1078 2.793,1079 5.266,1080 2.822,1081 0.124,1082 0.118,1083 0.182,1084 0.112,1085 0.087,1086 4.705,1087 0.121,1088 4.473,1089 0.042,1090 6.931,1091 0.307,1092 4.248,1093 0.084,1094 3.313,1095 4.614,1096 1.579,1097 11.649,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.023,1103 1.172,1104 2.006,1105 1.801,1106 1.756,1107 1.838,1108 2.005,1109 1.065,1110 1.971,1111 1.646,1112 1.676,1113 1.774,1114 1.858,1115 0.997,1116 1.869,1117 1.555,1118 1.532,1119 1.648,1120 1.811,1121 0.755,1122 1.778,1123 1.441,1124 1.419,1125 1.366,1126 1.683,1127 0.569,1128 1.68,1129 1.166,1130 1.095,1131 1.32,1132 1.562,1133 0.406,1134 1.47,1135 1.08,1136 1.038,1137 1.172,1138 1.408,1139 0.204,1140 1.371,1141 1.003,1142 0.968,1143 1.141,1144 1.252,1145 0.144,1146 1.223,1147 4.344,1149 5.707,1150 3.045,1151 7.251,1152 5.476,1153 8.877,1154 7.627,1155 10.548,1161 5.775,1162 30.508,1163 -0.786,1164 1.616,1165 10.283,1166 -5.869,1170 35.205,1171 104.92,1172 238.284,1173 271.668,1174 286.423,1175 290.423,1176 290.423,1177 108.561,1178 8.084,1179 260.77,1180 269.15,1181 22,1182 12.95,1183 4.459,1184 3.807,1185 59.645,1186 169,1187 164,1188 0.171,1189 219.242,1190 381.95,1191 526.711,1192 39666,1194 25.328,1195 0.724,1196 0.521,1197 25.578,1198 18.233,1199 16.608,1200 0.437,1201 0.292,1202 9.535,1203 14.706,1204 9.387,1205 7.659,1206 17.462,1207 11.108,1208 15.86,1209 0.283,1210 0.152,1211 17.169,1212 8.517,1213 13.02,1214 0.176,1215 0.079,1216 13.868,1217 5.829,1218 10.979,1219 0.112,1220 0.041,1221 11.83,1222 4.03,1223 8.027,1224 0.069,1225 0.022,1226 8.775,1227 2.623,1228 0.273,1229 117.053,1230 0.203,1231 32.308,1232 0.46,1233 188,1234 785.44,1235 258.631,1236 753.239,1237 987.65,1238 690,1239 224,1240 675.511,1241 306.453,1242 706.384,1243 1038.31,1244 659,1245 8.292}
{0 CHEMBL612048,1 1.935,2 15.3,3 -0.15,4 0.023,5 136.586,6 9.105,7 0.467,8 4.328,9 4.419,10 4.147,11 3.754,12 5.545,13 3.803,14 4.858,15 4.979,16 4.468,17 4.133,18 6.277,19 4.172,20 5.085,21 5.242,22 4.549,23 4.209,24 6.444,25 4.242,26 5.147,27 5.312,28 4.574,29 4.19,30 6.649,31 4.228,32 5.095,33 5.274,34 4.542,35 4.164,36 6.44,37 4.182,38 5.061,39 5.204,40 4.561,41 4.132,42 6.64,43 4.185,44 5.07,45 5.235,46 4.402,47 4.101,48 6.551,49 4.132,50 4.959,51 5.121,52 4.334,53 4.07,54 6.328,55 4.081,56 0.453,57 1.049,58 12.574,59 5.198,60 61.59,61 5.222,62 1.182,63 1.568,64 20.745,65 8.731,66 119.958,67 9.53,68 1.631,69 1.744,70 33.963,71 10.733,72 172.572,73 12.216,74 1.965,75 1.767,76 36.048,77 10.134,78 235.247,79 11.308,80 1.741,81 1.684,82 38.647,83 10.172,84 176.195,85 11.289,86 1.776,87 1.632,88 37.39,89 9.742,90 237.09,91 10.332,92 1.903,93 1.567,94 33.917,95 9.074,96 222.612,97 9.911,98 1.354,99 1.495,100 28.595,101 8.867,102 167.813,103 10.35,104 50,105 68,106 0.305,107 0.725,108 0.855,109 0.891,110 0.901,111 0.901,112 3.718,113 0.897,114 -3.37,115 -3.35,116 -3.21,119 34.9,121 2,122 1,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 7,159 10,160 2,162 1,163 5,165 3,166 4,168 5,169 5,170 1,171 4,172 1,173 3,175 2,177 9,178 9,180 3,181 6,182 1,183 3,187 5,188 6,189 1,190 5,192 1,197 4,198 10,200 2,201 9,202 1,211 7,212 5,215 5,216 2,217 1,219 1,221 1,223 1,224 4,227 4,228 1,229 3,231 1,233 2,234 7,235 6,237 1,238 7,240 2,246 3366,247 26.532,248 26.532,249 26.532,250 26.532,251 26.532,252 23.642,253 31.893,254 14.91,255 27.144,256 22.144,257 22.144,258 22.144,259 22.144,260 22.144,261 17.599,262 35.819,263 7.039,264 23.283,265 4.043,266 1.374,267 0.552,268 0.317,269 0.254,270 0.254,271 4.416,276 1363,277 4.359,278 73.843,280 326.668,281 271.649,282 178.629,284 2.465,285 81.07,286 0.25,287 0.33,288 0.5,289 0.3,291 0.33,292 0.5,293 0.32,294 92.5,295 612,296 4.705,297 4.473,298 6.935,299 4.252,300 3.319,301 4.624,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.061,314 4.307,315 3.552,316 6.557,317 4.02,318 3.075,319 3.906,320 0.98,321 10.258,322 2.936,323 4.278,324 3.249,325 6.341,326 3.932,327 2.967,328 3.899,330 9.574,331 2.859,332 4.14,333 3.137,334 6.298,335 3.872,336 2.882,337 3.357,339 9.48,340 2.817,341 3.854,342 2.798,343 6.026,344 3.578,345 2.636,346 3.112,347 8.63,348 2.478,349 3.635,350 2.677,351 5.866,352 3.294,353 2.362,354 2.902,355 7.87,356 2.191,357 3.357,358 2.552,359 5.246,360 2.928,361 1.943,362 2.592,363 5.917,364 1.908,365 3.194,366 2.244,367 4.868,368 2.824,369 1.883,370 2.388,371 5.202,372 1.76,373 3.042,374 1.969,375 4.794,376 2.796,377 1.847,378 2.12,379 5.163,380 1.74,381 2.861,382 1.863,383 4.734,384 2.477,385 1.587,386 2.015,387 4.749,388 1.405,389 2.751,390 1.543,391 4.216,392 2.392,393 1.414,394 1.8,395 3.574,396 1.377,397 2.647,398 1.469,399 4.139,400 2.198,401 1.268,402 1.684,403 3.07,404 1.178,405 2.55,406 1.317,407 3.894,408 2.051,409 1.047,410 1.511,411 2.975,412 1.045,413 2.404,414 1.311,415 3.653,416 1.952,417 1.032,418 1.374,419 2.615,420 0.944,421 18.1,422 0.453,423 1.321,424 0.033,425 52,426 1.3,427 23.5,428 0.588,429 28.5,430 0.713,431 36.147,432 0.904,433 44.9,434 0.713,435 48.854,436 1.221,437 9.995,438 0.25,439 9.114,440 0.228,441 0.133,442 0.046,443 0.403,447 0.849,448 1.451,449 0.729,450 1.295,451 0.862,452 0.892,453 0.748,454 1.085,455 0.792,456 1.025,457 0.629,458 0.981,459 1.002,460 1.19,461 0.921,462 1.083,463 0.92,464 0.977,465 1.115,466 0.994,467 1.023,468 0.941,469 1.038,470 0.966,471 1.125,472 0.957,473 1.097,474 0.97,475 1.091,476 0.87,477 1.113,478 1.138,479 1.26,480 1.24,481 1.126,482 0.985,483 1.278,484 0.833,485 1.187,486 0.845,487 1.291,488 0.973,489 1.106,490 1.171,491 1.062,492 1.132,493 1.098,494 1.131,495 9.5,496 0.389,497 5.833,498 3.806,499 2.737,500 1.816,501 1.161,502 0.784,503 0.658,504 0.413,505 28743,506 95842,507 2.099,508 36.5,509 4,510 9,511 2,512 1,513 6,514 1,518 1.799,519 1.928,520 3.859,521 3.133,524 121.89,525 1.935,526 4.603,527 5.426,528 5.66,529 5.723,530 5.723,531 3.394,532 5.072,533 5.291,534 4.072,535 3176.03,536 9.335,537 55293.6,539 376.569,540 1.628,541 5.233,542 0.211,543 0.009,544 0.09,545 0.057,546 0.042,547 0.03,548 0.018,549 0.014,550 0.013,551 0.008,552 0.491,553 0.17,554 0.63,555 0.573,556 226.797,557 -0.099,558 -0.163,559 0.145,560 -0.107,561 -0.186,562 0.041,563 0.16,564 0.06,565 -0.003,566 -0.035,567 0.13,568 -0.072,569 0.008,570 -0.179,571 0.043,572 -0.076,573 -0.02,574 -0.01,575 -0.009,576 0.007,577 -0.04,578 -0.005,579 0.046,580 -0.06,581 -0.075,582 0.052,583 0.033,584 0.074,585 -0.087,586 0.085,587 0.029,588 -0.089,589 -0.116,590 -0.145,591 0.09,592 -0.07,593 -0.116,594 0.149,595 -0.221,596 0.064,597 -0.096,598 -0.081,599 -0.118,600 -0.157,601 -0.12,602 -0.146,603 -0.079,604 -0.17,605 5.594,606 5.318,607 0.7,608 51.93,609 1.044,610 1.143,611 2.136,612 4.564,613 0.661,614 3.829,615 4.234,616 4.511,617 4.796,618 4.977,619 5.159,620 5.313,621 5.485,622 5.628,623 5.759,624 8.872,625 0.663,626 573.61,627 3.829,628 5.425,629 6.308,630 7.223,631 8.12,632 9.037,633 9.94,634 10.859,635 11.766,636 12.686,637 14.3,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 63,667 24,668 1,669 45,671 68,672 22,673 13,674 2,675 4,676 1,677 6,678 7,683 5,684 1,686 5,688 14,689 8,690 1,691 3,693 1,694 3,697 1,700 23,701 15,702 6,703 18,704 1,706 1,707 9,711 0.833,712 8,714 2,715 1,717 1,719 1,721 3,722 2,730 2,731 1,732 5,733 1,739 40,740 1,742 1,743 3,744 3,745 1,746 2,747 5,751 1,754 12.7,755 2,756 1,757 3,758 2,761 20.75,762 10.75,763 8.389,764 3.437,765 3.709,766 1.417,767 0.942,768 6.858,769 12.609,770 4.086,771 4.745,772 5.283,773 5.884,774 6.335,775 6.751,776 7.187,777 7.632,778 7.97,779 8.32,780 1,781 67,782 15.585,783 7.739,784 8.223,785 27.125,786 23.357,787 2.723,788 108.917,789 200.109,790 91.477,791 136.538,793 217.053,795 7.511,796 83.966,797 417.162,798 136.538,800 26.066,801 172.728,802 242.056,803 11.762,804 27.769,805 164.795,807 200.109,808 220.504,809 217.053,810 7.511,812 200.109,813 112.141,814 104.912,815 46.876,816 90.068,817 91.071,819 200.109,820 353.591,821 91.477,823 7.511,824 200.109,825 28.395,826 59.247,827 16.405,828 333.51,829 200.109,830 353.591,831 91.477,833 0.606,834 0.349,835 0.183,836 0.091,837 36,838 17,839 0.118,840 8,841 1,842 1.071,843 4.941,844 416.919,845 0.071,846 28,847 208.877,848 1,849 26.826,850 10.226,851 5.372,852 0.358,853 349.915,854 8.314,855 21.037,856 0.224,857 2.685,858 177.352,859 645.177,860 58.5,862 -4.677,863 36.863,866 -1.126,867 65.796,868 71.986,869 0.324,870 0.77,871 0.908,872 0.947,873 0.958,874 0.958,875 5.381,876 1.943,877 6.351,878 7.87,879 4.92,880 5.434,881 2.31,882 7.242,883 4.82,884 6.636,885 1.883,886 7.971,887 5.917,888 4.796,889 5.545,891 8.401,892 4.674,893 7.995,894 1.847,895 9.692,896 5.202,897 6.645,898 7.735,899 2.87,900 11.447,901 6.461,902 9.39,903 1.587,904 11.468,905 5.163,906 7.28,907 8.64,909 13.352,910 7.07,911 10.815,912 1.414,913 13.278,914 4.749,915 8.672,916 10.38,917 3.593,918 15.968,919 8.411,920 12.262,921 1.268,922 15.11,923 3.574,924 9.612,925 11.617,927 18.159,928 9.318,929 13.726,930 1.047,931 16.958,932 3.07,933 10.848,934 13.203,935 4.417,936 20.637,937 10.51,938 3.319,939 1.032,940 18.816,941 2.975,942 11.914,943 14.585,945 22.949,946 11.539,947 3.235,948 11.665,949 20.683,950 2.615,951 13.096,952 16.115,953 5.291,954 25.381,955 12.679,956 3.075,957 11.105,958 22.556,959 4.624,960 14.216,961 17.564,963 27.749,964 13.76,965 2.967,966 10.258,967 24.435,968 4.489,969 15.382,970 19.076,971 6.188,972 30.169,973 14.885,974 2.882,975 9.574,976 26.318,977 3.906,978 16.526,979 20.556,981 32.565,982 15.99,983 2.636,984 9.48,985 28.205,986 3.899,987 17.689,988 22.064,989 7.095,990 34.985,991 17.113,992 2.362,993 8.63,994 30.095,995 3.357,996 18.846,997 23.56,999 37.397,1000 18.23,1001 26405,1002 48471,1003 29.649,1004 41.665,1005 70.143,1006 72.334,1007 72.489,1008 69.322,1009 69.363,1010 89.083,1011 7.2,1012 214.764,1013 65.777,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 22.728,1024 1.559,1025 1.607,1026 1.611,1027 1.54,1028 1.541,1029 1.98,1030 0.16,1031 4.773,1032 1.462,1033 4.14,1034 4.192,1035 4.71,1036 3.948,1037 7.725,1038 3.977,1039 3.989,1040 4.025,1041 4.114,1042 3.881,1043 7.428,1044 3.864,1045 3.971,1046 3.977,1047 3.911,1048 3.832,1049 6.999,1050 3.839,1051 3.854,1052 3.852,1053 3.855,1054 3.763,1055 6.495,1056 3.69,1057 3.761,1058 3.757,1059 3.716,1060 3.584,1061 6.468,1062 3.576,1063 3.617,1064 3.683,1065 3.533,1066 3.378,1067 6.4,1068 3.413,1069 3.292,1070 3.373,1071 3.214,1072 3.049,1073 5.287,1074 3.077,1075 3.199,1076 3.223,1077 3.168,1078 2.978,1079 5.06,1080 3,1081 0.105,1082 0.099,1083 0.154,1084 0.094,1085 0.074,1086 4.705,1087 0.103,1088 4.473,1089 0.035,1090 6.935,1091 0.259,1092 4.252,1093 0.071,1094 3.319,1095 4.624,1096 1.579,1097 11.665,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.037,1103 1.172,1104 2.006,1105 1.816,1106 1.769,1107 1.851,1108 2.005,1109 1.065,1110 1.986,1111 1.646,1112 1.676,1113 1.779,1114 1.858,1115 1.004,1116 1.869,1117 1.562,1118 1.537,1119 1.662,1120 1.816,1121 0.941,1122 1.784,1123 1.491,1124 1.453,1125 1.615,1126 1.683,1127 0.825,1128 1.681,1129 1.441,1130 1.416,1131 1.513,1132 1.644,1133 0.769,1134 1.638,1135 1.19,1136 1.115,1137 1.368,1138 1.529,1139 0.57,1140 1.465,1141 1.153,1142 1.064,1143 1.325,1144 1.405,1145 0.416,1146 1.429,1147 4.511,1148 1.946,1149 5.894,1150 4.263,1151 7.452,1152 6.354,1153 9.086,1154 8.339,1155 10.762,1161 6.083,1162 31.022,1163 1.305,1164 1.659,1165 10.53,1166 -5.36,1170 41.786,1171 121.89,1172 289.986,1173 341.814,1174 356.569,1175 360.569,1176 360.569,1177 104.573,1178 8.9,1179 242.72,1180 251.1,1181 30,1182 13.197,1183 4.644,1184 3.858,1185 57.42,1186 212,1187 210,1188 0.129,1189 252.417,1190 432.83,1191 607.658,1192 110848,1194 28.181,1195 0.705,1196 0.532,1197 28.431,1198 21.288,1199 19.109,1200 0.425,1201 0.299,1202 11.869,1203 17.191,1204 11.691,1205 9.512,1206 19.963,1207 13.456,1208 18.636,1209 0.274,1210 0.157,1211 19.945,1212 10.676,1213 15.442,1214 0.172,1215 0.079,1216 16.29,1217 7.107,1218 13.017,1219 0.108,1220 0.041,1221 13.867,1222 4.899,1223 9.571,1224 0.066,1225 0.022,1226 10.319,1227 3.12,1228 0.206,1229 132.13,1230 0.184,1231 36.145,1232 0.343,1233 226,1234 825.148,1235 299.018,1236 791.555,1237 1064.45,1238 730,1239 274,1240 759.85,1241 360.699,1242 789.168,1243 1169.68,1244 740,1245 9.337}
{0 CHEMBL612049,1 1.836,2 18.523,3 2.04,4 4.161,5 156.819,6 8.205,7 0.438,8 4.48,9 4.586,10 4.206,11 3.902,12 5.638,13 3.922,14 5.037,15 5.186,16 4.528,17 4.297,18 6.355,19 4.298,20 5.3,21 5.496,22 4.598,23 4.396,24 6.532,25 4.376,26 5.353,27 5.558,28 4.628,29 4.38,30 6.72,31 4.365,32 5.296,33 5.502,34 4.623,35 4.36,36 6.538,37 4.337,38 5.284,39 5.471,40 4.633,41 4.327,42 6.731,43 4.335,44 5.258,45 5.45,46 4.498,47 4.277,48 6.642,49 4.276,50 5.158,51 5.351,52 4.436,53 4.239,54 6.453,55 4.23,56 0.393,57 1.204,58 18.149,59 6.516,60 52.881,61 7.935,62 1.172,63 1.824,64 31.154,65 11.225,66 120.479,67 14.319,68 1.606,69 2.064,70 48.252,71 13.932,72 171.32,73 18.758,74 2.013,75 2.079,76 51.915,77 13.396,78 242.995,79 18.238,80 1.718,81 2.02,82 51.438,83 12.97,84 174.13,85 17.361,86 1.897,87 1.976,88 51.838,89 12.034,90 245.466,91 16.056,92 1.93,93 1.88,94 45.97,95 11.006,96 220.026,97 15.028,98 1.38,99 1.804,100 40.352,101 9.999,102 163.966,103 14.191,104 71,105 69,106 0.28,107 0.657,108 0.817,109 0.883,110 0.91,111 0.91,112 3.81,113 0.963,114 -5.12,115 -5.01,116 -4.69,119 33.8,120 1,121 6,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 10,159 10,160 2,162 1,163 5,165 3,166 9,168 5,169 4,170 1,171 4,172 1,173 3,175 6,177 9,178 8,180 3,181 6,182 1,183 3,185 3,187 5,188 9,189 1,190 5,192 1,194 2,197 4,198 11,200 2,201 9,202 1,206 1,211 7,212 10,215 5,216 2,217 1,219 1,221 1,223 1,224 8,227 4,228 1,229 2,231 1,233 1,234 7,235 10,237 1,238 7,240 3,244 1,246 4770,247 29.283,248 29.283,249 29.283,250 29.283,251 29.283,252 26.369,253 30.68,254 17.169,255 29.899,256 23.621,257 23.621,258 23.621,259 23.621,260 23.621,261 19.046,262 34.349,263 8.124,264 24.766,265 4.431,266 1.953,267 0.902,268 0.471,269 0.296,270 0.296,271 4.505,276 1739,277 4.95,280 374.899,281 307.03,282 204.964,284 3.207,285 82.669,286 0.25,287 0.33,288 0.33,289 0.7,290 0.5,291 0.17,293 0.33,294 100.5,295 815,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.991,318 3.057,319 3.899,320 0.98,321 10.249,322 2.863,323 4.256,324 3.212,325 6.341,326 3.874,327 2.884,328 3.87,330 9.481,331 2.835,332 4.114,333 2.96,334 6.157,335 3.765,336 2.82,337 3.337,339 9.116,340 2.665,341 3.7,342 2.677,343 5.881,344 3.343,345 2.412,346 3.005,347 7.921,348 2.238,349 3.56,350 2.622,351 5.303,352 3.194,353 2.247,354 2.879,355 6.78,356 2.121,357 3.357,358 2.455,359 5.245,360 2.928,361 1.942,362 2.592,363 5.916,364 1.908,365 3.043,366 2.243,367 4.868,368 2.821,369 1.881,370 2.129,371 5.163,372 1.789,373 2.908,374 1.969,375 4.794,376 2.794,377 1.801,378 2.022,379 4.75,380 1.747,381 2.861,382 1.802,383 4.362,384 2.479,385 1.587,386 2.015,387 4.104,388 1.411,389 2.772,390 1.543,391 4.143,392 2.419,393 1.461,394 1.796,395 3.48,396 1.395,397 2.724,398 1.508,399 3.894,400 2.392,401 1.414,402 1.75,403 3.07,404 1.377,405 2.55,406 1.469,407 3.791,408 2.176,409 1.21,410 1.512,411 2.986,412 1.165,413 2.471,414 1.311,415 3.66,416 2.051,417 1.051,418 1.462,419 2.615,420 1.046,421 20.1,422 0.457,423 1.269,424 0.029,425 53.5,426 1.216,427 23.5,428 0.534,429 30,430 0.682,431 44.942,432 1.021,433 50.7,434 0.658,435 51.395,436 1.168,437 10.023,438 0.228,439 11.052,440 0.251,441 0.144,442 0.041,443 0.338,447 0.816,448 1.512,449 0.779,450 1.358,451 0.846,452 1.005,453 0.694,454 1.131,455 0.794,456 1.076,457 0.594,458 1.023,459 0.891,460 1.152,461 0.869,462 1.072,463 0.832,464 0.978,465 0.982,466 0.95,467 0.909,468 0.91,469 0.932,470 0.908,471 1.006,472 1.034,473 0.986,474 0.998,475 1.003,476 0.889,477 1.048,478 1.082,479 1.147,480 1.125,481 1.038,482 0.929,483 1.208,484 0.954,485 1.088,486 0.882,487 1.218,488 0.953,489 1.141,490 1.144,491 1.041,492 1.026,493 1.084,494 1.023,495 9.5,496 0.462,497 5.778,498 3.833,499 2.862,500 1.865,501 1.269,502 0.859,503 0.701,504 0.513,505 36371,506 110464,507 2.038,508 42.9,509 13,510 9,511 2,512 1,513 6,514 2,518 1.821,519 1.879,520 4.091,521 3.001,524 141.337,525 1.836,526 4.314,527 5.364,528 5.796,529 5.971,530 5.971,531 3.61,532 5.323,533 5.42,534 4.299,535 4066.84,536 9.599,537 78431.5,539 482.543,540 1.606,541 5.371,542 0.198,543 0.009,544 0.084,545 0.055,546 0.041,547 0.028,548 0.018,549 0.014,550 0.012,551 0.009,552 0.467,554 0.5,555 1.316,556 259.201,557 -0.047,558 -0.169,559 0.152,560 -0.114,561 -0.159,562 0.016,563 0.219,564 0.034,565 0.055,566 -0.04,567 0.163,568 -0.043,569 0.092,570 -0.146,571 0.106,572 -0.058,573 0.044,574 0.019,575 0.108,576 0.034,577 0.092,578 0.038,579 0.127,580 0.04,581 0.03,582 -0.014,583 0.114,584 0.04,585 -0.021,586 0.079,587 0.095,588 -0.032,589 -0.009,590 -0.073,591 0.139,592 0.008,593 -0.025,594 0.058,595 -0.11,596 0.026,597 -0.027,598 -0.051,599 -0.118,600 -0.084,601 -0.086,602 -0.074,603 -0.067,604 -0.088,605 5.602,606 5.372,607 0.568,608 72.657,609 1.029,610 1.144,611 3.886,612 15.103,613 0.642,614 3.892,615 4.248,616 4.522,617 4.796,618 4.977,619 5.147,620 5.308,621 5.493,622 5.62,623 5.737,624 10.182,625 0.629,626 631.75,627 3.892,628 5.46,629 6.319,630 7.216,631 8.097,632 9.002,633 9.894,634 10.804,635 11.704,636 12.618,637 11.7,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 77,667 24,668 1,669 48,671 81,672 26,673 13,674 2,675 4,676 1,677 5,678 6,681 1,683 3,686 9,688 14,689 12,691 3,693 1,694 3,697 1,700 33,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 44,740 1,742 1,743 3,744 7,745 1,746 2,747 4,751 1,754 10.4,755 2,756 1,757 3,758 2,761 23.417,762 13.417,763 9.611,764 4.645,765 3.743,766 1.414,767 0.92,768 9.992,769 12.775,770 4.135,771 4.754,772 5.283,773 5.874,774 6.321,775 6.728,776 7.169,777 7.619,778 7.936,779 8.259,780 0.923,781 70,782 17.095,783 8.162,784 8.127,785 30.232,786 25.148,787 2.627,788 115.583,789 317.82,790 110.441,791 136.538,793 217.053,795 7.511,796 102.929,797 534.873,798 136.538,799 8.825,800 36.205,801 172.728,802 242.056,803 11.762,804 27.769,805 282.506,807 317.82,808 239.467,809 217.053,810 7.511,812 317.82,813 112.141,814 104.912,815 65.839,816 90.068,817 91.071,819 317.82,820 353.591,821 110.441,823 7.511,824 317.82,825 38.533,826 68.072,827 16.405,828 333.51,829 317.82,830 353.591,831 110.441,833 0.587,834 0.341,835 0.179,836 0.091,837 32,838 16,839 0.16,840 13,841 1,842 1.08,843 5.241,844 450.956,845 0.08,846 25,847 238.215,848 1,849 32.03,850 13.726,851 7.31,852 0.356,853 349.915,854 8.331,855 21.255,856 0.178,857 2.699,858 177.352,859 781.851,860 61.5,862 -4.686,863 37.016,866 -1.127,867 79.214,868 88.062,869 0.293,870 0.688,871 0.856,872 0.925,873 0.953,874 0.953,875 5.404,876 1.942,877 6.34,878 6.78,879 4.934,880 5.442,881 2.31,882 7.203,883 4.836,884 6.632,885 1.881,886 7.938,887 5.916,888 4.691,889 5.497,891 8.313,892 4.555,893 7.975,894 1.801,895 9.642,896 5.163,897 6.611,898 7.722,899 2.87,900 11.377,901 6.42,902 9.359,903 1.587,904 11.407,905 4.75,906 7.186,907 8.613,909 13.276,910 6.955,911 10.779,912 1.461,913 13.21,914 4.104,915 8.606,916 10.363,917 3.593,918 15.899,919 8.328,920 12.222,921 1.414,922 15.038,923 3.48,924 9.523,925 11.599,927 18.095,928 9.202,929 13.684,930 1.21,931 16.883,932 3.07,933 10.77,934 13.188,935 4.417,936 20.578,937 10.406,938 3.319,939 1.051,940 18.741,941 2.986,942 11.829,943 14.571,945 22.898,946 11.422,947 3.235,948 11.664,949 20.609,950 2.615,951 13.017,952 16.103,953 5.291,954 25.335,955 12.568,956 3.057,957 11.105,958 22.483,959 4.624,960 14.136,961 17.553,963 27.709,964 13.646,965 2.884,966 10.249,967 24.364,968 4.489,969 15.306,970 19.066,971 6.188,972 30.134,973 14.775,974 2.82,975 9.481,976 26.25,977 3.899,978 16.451,979 20.547,981 32.535,982 15.88,983 2.412,984 9.116,985 28.14,986 3.87,987 17.618,988 22.056,989 7.095,990 34.958,991 17.006,992 2.247,993 7.921,994 30.033,995 3.337,996 18.777,997 23.553,999 37.374,1000 18.125,1001 34800,1002 61355,1003 31.323,1004 49.472,1005 72.486,1006 74.813,1007 75.395,1008 72.184,1009 72.145,1010 91.861,1011 7.2,1012 214.35,1013 68.559,1014 5.683,1015 6.473,1016 6.888,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 26.524,1024 1.51,1025 1.559,1026 1.571,1027 1.504,1028 1.503,1029 1.914,1030 0.15,1031 4.466,1032 1.428,1033 4.135,1034 4.188,1035 4.71,1036 3.94,1037 7.725,1038 3.97,1039 3.989,1040 3.978,1041 4.111,1042 3.879,1043 7.428,1044 3.864,1045 3.899,1046 3.959,1047 3.859,1048 3.765,1049 6.999,1050 3.726,1051 3.846,1052 3.848,1053 3.845,1054 3.709,1055 6.495,1056 3.686,1057 3.761,1058 3.793,1059 3.702,1060 3.595,1061 6.468,1062 3.583,1063 3.705,1064 3.732,1065 3.559,1066 3.537,1067 6.4,1068 3.538,1069 3.462,1070 3.545,1071 3.3,1072 3.28,1073 5.287,1074 3.273,1075 3.302,1076 3.383,1077 3.198,1078 3.066,1079 5.057,1080 3.091,1081 0.098,1082 0.093,1083 0.144,1084 0.089,1085 0.069,1086 4.705,1087 0.096,1088 4.473,1089 0.033,1090 6.935,1091 0.243,1092 4.251,1093 0.067,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 2.043,1102 2.038,1103 1.387,1104 2.006,1105 1.822,1106 1.774,1107 1.991,1108 2.005,1109 1.172,1110 1.995,1111 1.788,1112 1.729,1113 1.876,1114 1.948,1115 1.148,1116 1.975,1117 1.646,1118 1.676,1119 1.84,1120 1.858,1121 1.065,1122 1.869,1123 1.607,1124 1.55,1125 1.777,1126 1.817,1127 1.001,1128 1.813,1129 1.555,1130 1.527,1131 1.655,1132 1.774,1133 0.839,1134 1.779,1135 1.441,1136 1.419,1137 1.608,1138 1.683,1139 0.768,1140 1.68,1141 1.354,1142 1.282,1143 1.397,1144 1.585,1145 0.573,1146 1.578,1147 4.575,1149 5.922,1150 3.434,1151 7.445,1152 5.82,1153 9.053,1154 7.928,1155 10.709,1157 2.159,1161 6.138,1162 31.181,1163 5.569,1164 1.667,1165 10.586,1166 -5.739,1170 48.42,1171 141.337,1172 332.165,1173 413.059,1174 446.278,1175 459.788,1176 459.788,1177 134.061,1178 9.033,1179 242.72,1180 251.1,1181 27,1182 13.134,1183 4.644,1184 3.858,1185 74.267,1186 263,1187 353,1188 0.134,1189 298.18,1190 514.39,1191 719.319,1192 135848,1194 31.432,1195 0.714,1196 0.558,1197 31.682,1198 24.539,1199 21.075,1200 0.439,1201 0.321,1202 13.824,1203 19.155,1204 13.554,1205 11.196,1206 21.928,1207 15.412,1208 19.607,1209 0.284,1210 0.169,1211 20.917,1212 11.633,1213 16.226,1214 0.178,1215 0.088,1216 17.074,1217 7.966,1218 13.477,1219 0.112,1220 0.046,1221 14.327,1222 5.462,1223 9.981,1224 0.069,1225 0.025,1226 10.729,1227 3.552,1228 0.217,1229 143.923,1230 0.179,1231 39.395,1232 0.35,1233 234,1234 833.148,1235 307.018,1236 800.344,1237 1073.03,1238 738,1239 277,1240 761.85,1241 363.532,1242 791.828,1243 1168.87,1244 742,1245 9.387}
{0 CHEMBL612051,1 1.897,2 16.463,3 0.671,4 0.451,5 143.016,6 8.671,7 0.467,8 4.377,9 4.475,10 4.152,11 3.789,12 5.58,13 3.827,14 4.921,15 5.056,16 4.484,17 4.181,18 6.306,19 4.207,20 5.167,21 5.341,22 4.556,23 4.274,24 6.477,25 4.284,26 5.227,27 5.413,28 4.587,29 4.256,30 6.674,31 4.271,32 5.162,33 5.348,34 4.582,35 4.234,36 6.484,37 4.241,38 5.149,39 5.31,40 4.583,41 4.197,42 6.686,43 4.237,44 5.131,45 5.306,46 4.425,47 4.144,48 6.581,49 4.166,50 5.01,51 5.181,52 4.355,53 4.111,54 6.371,55 4.117,56 0.429,57 1.088,58 14.878,59 5.575,60 56.416,61 6.266,62 1.187,63 1.638,64 25.273,65 9.524,66 118.535,67 11.384,68 1.628,69 1.837,70 39.71,71 11.789,72 170.652,73 14.766,74 2.007,75 1.849,76 43.291,77 11.272,78 238.088,79 14.225,80 1.715,81 1.791,82 42.867,83 10.845,84 171.147,85 13.331,86 1.854,87 1.745,88 42.878,89 9.963,90 236.469,91 11.935,92 1.916,93 1.639,94 38.352,95 9.348,96 217.606,97 11.549,98 1.34,99 1.558,100 32.165,101 8.822,102 161.803,103 11.261,104 68,105 66,106 0.296,107 0.703,108 0.858,109 0.901,110 0.91,111 0.91,112 3.741,113 0.927,114 -3.58,115 -3.55,116 -3.39,119 33.8,120 1,121 3,125 1,127 3,128 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 7,159 10,160 2,162 1,163 5,165 3,166 6,168 5,169 4,170 1,171 4,172 1,173 3,175 3,177 9,178 8,180 3,181 6,182 1,183 3,187 5,188 9,189 1,190 5,192 1,197 4,198 10,200 2,201 9,202 1,211 7,212 7,215 5,216 2,217 1,219 1,221 1,223 1,224 5,227 4,228 1,229 2,231 1,233 1,234 7,235 6,237 1,238 7,240 3,244 1,246 3718,247 27.162,248 27.162,249 27.162,250 27.162,251 27.162,252 24.247,253 30.68,254 15.669,255 27.777,256 22.121,257 22.121,258 22.121,259 22.121,260 22.121,261 17.546,262 34.349,263 7.37,264 23.266,265 4.19,266 1.575,267 0.581,268 0.305,269 0.246,270 0.246,271 4.437,276 1452,277 4.637,280 340.434,281 281.118,282 185.836,284 2.67,285 81.303,286 0.25,287 0.33,288 0.33,289 0.5,291 0.33,292 0.5,293 0.32,294 94.5,295 675,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.624,302 1.579,303 11.664,304 3.209,305 4.677,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.059,314 4.279,315 3.552,316 6.556,317 3.991,318 3.057,319 3.899,320 0.98,321 10.249,322 2.863,323 4.256,324 3.212,325 6.341,326 3.874,327 2.884,328 3.87,330 9.481,331 2.835,332 4.114,333 2.96,334 6.157,335 3.765,336 2.82,337 3.337,339 9.116,340 2.665,341 3.7,342 2.677,343 5.881,344 3.342,345 2.412,346 3.005,347 7.921,348 2.237,349 3.559,350 2.622,351 5.303,352 3.19,353 2.244,354 2.879,355 6.778,356 2.116,357 3.357,358 2.453,359 5.245,360 2.928,361 1.942,362 2.592,363 5.916,364 1.908,365 3.043,366 2.243,367 4.868,368 2.82,369 1.881,370 2.129,371 5.163,372 1.747,373 2.882,374 1.969,375 4.794,376 2.524,377 1.588,378 2.015,379 4.75,380 1.505,381 2.861,382 1.579,383 4.36,384 2.477,385 1.551,386 2.013,387 4.08,388 1.405,389 2.734,390 1.543,391 4.143,392 2.392,393 1.414,394 1.765,395 3.07,396 1.377,397 2.55,398 1.469,399 3.894,400 2.227,401 1.276,402 1.515,403 2.991,404 1.21,405 2.509,406 1.311,407 3.68,408 2.051,409 1.053,410 1.507,411 2.616,412 1.046,413 2.369,414 1.309,415 3.605,416 1.97,417 1.044,418 1.347,419 2.592,420 0.961,421 18.6,422 0.454,423 1.269,424 0.031,425 52,426 1.268,427 23.5,428 0.573,429 28.5,430 0.695,431 38.954,432 0.95,433 46.8,434 0.688,435 49.852,436 1.216,437 10.023,438 0.244,439 9.552,440 0.233,441 0.156,442 0.045,443 0.366,447 0.84,448 1.51,449 0.755,450 1.348,451 0.867,452 0.958,453 0.725,454 1.095,455 0.77,456 1.024,457 0.618,458 0.965,459 0.954,460 1.181,461 0.904,462 1.091,463 0.885,464 0.991,465 1.047,466 0.95,467 0.947,468 0.902,469 0.987,470 0.908,471 1.082,472 1.048,473 1.039,474 1.006,475 1.067,476 0.884,477 1.139,478 1.106,479 1.259,480 1.18,481 1.115,482 0.969,483 1.273,484 0.896,485 1.157,486 0.865,487 1.275,488 0.968,489 1.156,490 1.16,491 1.079,492 1.095,493 1.127,494 1.093,495 9.5,496 0.438,497 5.778,498 3.833,499 2.862,500 1.865,501 1.269,502 0.819,503 0.67,504 0.488,505 29170,506 96639,507 2.041,508 39.7,509 7,510 9,511 2,512 1,513 6,514 2,518 1.805,519 1.871,520 3.944,521 3.098,524 128.994,525 1.897,526 4.512,527 5.506,528 5.782,529 5.841,530 5.841,531 3.489,532 5.211,533 5.324,534 4.139,535 3394.16,536 9.404,537 60666.2,539 413.947,540 1.641,541 5.263,542 0.211,543 0.009,544 0.088,545 0.057,546 0.043,547 0.029,548 0.019,549 0.014,550 0.013,551 0.009,552 0.493,553 0.17,554 0.63,555 0.983,556 234.876,557 -0.078,558 -0.188,559 0.15,560 -0.125,561 -0.185,562 0.02,563 0.19,564 0.063,565 0.052,566 -0.01,567 0.143,568 -0.02,569 0.044,570 -0.165,571 0.063,572 -0.077,573 0.005,574 -0.009,575 0.052,576 0.038,577 0.05,578 0.04,579 0.086,580 0.024,581 -0.033,582 -0.018,583 0.068,584 0.04,585 -0.067,586 0.068,587 0.014,588 -0.035,589 -0.123,590 -0.117,591 0.086,592 -0.065,593 -0.091,594 0.105,595 -0.188,596 0.037,597 -0.071,598 -0.084,599 -0.142,600 -0.108,601 -0.14,602 -0.12,603 -0.091,604 -0.155,605 5.598,606 5.33,607 0.61,608 57.01,609 1.038,610 1.144,611 2.351,612 5.528,613 0.65,614 3.829,615 4.205,616 4.489,617 4.771,618 4.956,619 5.124,620 5.283,621 5.464,622 5.583,623 5.697,624 9.212,625 0.645,626 589.66,627 3.829,628 5.407,629 6.275,630 7.18,631 8.067,632 8.978,633 9.874,634 10.788,635 11.69,636 12.606,637 13.2,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 68,667 24,668 1,669 45,671 72,672 23,673 13,674 2,675 4,676 1,677 5,678 6,681 1,683 3,686 6,688 14,689 9,691 3,693 1,694 3,697 1,700 27,701 15,702 6,703 18,704 1,706 1,707 9,711 0.8,712 8,714 2,715 1,717 1,721 3,722 2,730 2,731 1,732 4,733 1,735 1,739 41,740 1,742 1,743 3,744 4,745 1,746 2,747 4,751 1,754 11.8,755 2,756 1,757 3,758 2,761 21.917,762 11.917,763 8.861,764 3.895,765 3.687,766 1.418,767 0.923,768 8.419,769 12.515,770 4.086,771 4.727,772 5.268,773 5.865,774 6.316,775 6.722,776 7.163,777 7.611,778 7.924,779 8.247,780 1,781 67,782 15.95,783 7.723,784 8.209,785 27.782,786 23.148,787 2.709,788 111.083,789 247.193,790 102.837,791 136.538,793 217.053,795 7.511,796 95.326,797 464.246,798 136.538,799 8.825,800 28.601,801 172.728,802 242.056,803 11.762,804 27.769,805 211.88,807 247.193,808 231.864,809 217.053,810 7.511,812 247.193,813 112.141,814 104.912,815 58.236,816 90.068,817 91.071,819 247.193,820 353.591,821 102.837,823 7.511,824 247.193,825 30.929,826 68.072,827 16.405,828 333.51,829 247.193,830 353.591,831 102.837,833 0.593,834 0.348,835 0.184,836 0.096,837 32,838 16,839 0.139,840 10,841 1,842 1.08,843 4.936,844 418.798,845 0.08,846 25,847 217.66,848 1,849 29.127,850 11.851,851 6.131,852 0.345,853 349.915,854 8.279,855 21.007,856 0.138,857 2.665,858 177.352,859 703.621,860 58.5,862 -4.681,863 36.898,866 -1.128,867 70.563,868 77.817,869 0.312,870 0.741,871 0.905,872 0.95,873 0.96,874 0.96,875 5.362,876 1.942,877 6.308,878 6.778,879 4.89,880 5.416,881 2.31,882 7.185,883 4.787,884 6.604,885 1.881,886 7.917,887 5.916,888 4.691,889 5.497,891 8.313,892 4.555,893 7.955,894 1.588,895 9.628,896 5.163,897 6.586,898 7.714,899 2.87,900 11.374,901 6.39,902 9.346,903 1.551,904 11.398,905 4.75,906 7.186,907 8.613,909 13.276,910 6.955,911 10.77,912 1.414,913 13.205,914 4.08,915 8.595,916 10.361,917 3.593,918 15.898,919 8.313,920 12.216,921 1.276,922 15.035,923 3.07,924 9.523,925 11.599,927 18.095,928 9.202,929 13.68,930 1.053,931 16.881,932 2.991,933 10.766,934 13.187,935 4.417,936 20.578,937 10.4,938 3.319,939 1.044,940 18.74,941 2.616,942 11.829,943 14.571,945 22.898,946 11.422,947 3.235,948 11.664,949 20.608,950 2.592,951 13.015,952 16.103,953 5.291,954 25.335,955 12.566,956 3.057,957 11.105,958 22.483,959 4.624,960 14.136,961 17.553,963 27.709,964 13.646,965 2.884,966 10.249,967 24.364,968 4.489,969 15.305,970 19.066,971 6.188,972 30.134,973 14.774,974 2.82,975 9.481,976 26.25,977 3.899,978 16.451,979 20.547,981 32.535,982 15.88,983 2.412,984 9.116,985 28.14,986 3.87,987 17.618,988 22.056,989 7.095,990 34.958,991 17.006,992 2.244,993 7.921,994 30.033,995 3.337,996 18.777,997 23.553,999 37.374,1000 18.125,1001 27734,1002 50866,1003 29.244,1004 44.188,1005 68.536,1006 70.868,1007 71.639,1008 68.313,1009 68.255,1010 87.967,1011 7.2,1012 206.606,1013 64.67,1014 5.683,1015 6.473,1016 6.799,1017 5.368,1018 5.319,1019 7.624,1020 3.158,1021 19.383,1022 5.209,1023 25.094,1024 1.523,1025 1.575,1026 1.592,1027 1.518,1028 1.517,1029 1.955,1030 0.16,1031 4.591,1032 1.437,1033 4.134,1034 4.187,1035 4.71,1036 3.938,1037 7.725,1038 3.969,1039 3.989,1040 3.977,1041 4.111,1042 3.879,1043 7.428,1044 3.864,1045 3.896,1046 3.956,1047 3.858,1048 3.765,1049 6.999,1050 3.718,1051 3.845,1052 3.842,1053 3.845,1054 3.688,1055 6.495,1056 3.68,1057 3.747,1058 3.742,1059 3.699,1060 3.577,1061 6.468,1062 3.568,1063 3.587,1064 3.664,1065 3.423,1066 3.395,1067 6.4,1068 3.397,1069 3.312,1070 3.391,1071 3.23,1072 3.073,1073 5.287,1074 3.1,1075 3.203,1076 3.231,1077 3.17,1078 2.985,1079 5.057,1080 3.007,1081 0.105,1082 0.099,1083 0.154,1084 0.094,1085 0.074,1086 4.705,1087 0.103,1088 4.473,1089 0.035,1090 6.935,1091 0.259,1092 4.251,1093 0.071,1094 3.319,1095 4.624,1096 1.579,1097 11.664,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.038,1103 1.28,1104 2.006,1105 1.819,1106 1.772,1107 1.984,1108 2.005,1109 1.172,1110 1.989,1111 1.728,1112 1.676,1113 1.848,1114 1.893,1115 1.065,1116 1.923,1117 1.646,1118 1.668,1119 1.778,1120 1.858,1121 1.001,1122 1.869,1123 1.558,1124 1.534,1125 1.666,1126 1.814,1127 0.844,1128 1.783,1129 1.442,1130 1.42,1131 1.636,1132 1.683,1133 0.763,1134 1.68,1135 1.41,1136 1.344,1137 1.381,1138 1.612,1139 0.571,1140 1.62,1141 1.194,1142 1.113,1143 1.351,1144 1.528,1145 0.462,1146 1.481,1147 4.511,1149 5.872,1150 3.434,1151 7.409,1152 5.82,1153 9.028,1154 7.928,1155 10.692,1157 2.061,1161 6.091,1162 31.056,1163 1.889,1164 1.659,1165 10.538,1166 -5.734,1170 43.839,1171 128.994,1172 306.815,1173 374.438,1174 393.193,1175 397.193,1176 397.193,1177 119.934,1178 8.828,1179 242.72,1180 251.1,1181 27,1182 13.12,1183 4.644,1184 3.858,1185 66.529,1186 224,1187 266,1188 0.142,1189 269.403,1190 462.49,1191 649.103,1192 102205,1194 29.311,1195 0.715,1196 0.547,1197 29.561,1198 22.417,1199 19.575,1200 0.435,1201 0.309,1202 12.324,1203 17.655,1204 12.083,1205 9.946,1206 20.428,1207 13.912,1208 18.547,1209 0.281,1210 0.16,1211 19.856,1212 10.572,1213 15.476,1214 0.176,1215 0.082,1216 16.324,1217 7.216,1218 12.933,1219 0.111,1220 0.042,1221 13.784,1222 4.91,1223 9.662,1224 0.069,1225 0.023,1226 10.41,1227 3.214,1228 0.227,1229 134.923,1230 0.185,1231 36.927,1232 0.376,1233 222,1234 821.148,1235 295.018,1236 787.859,1237 1055.75,1238 726,1239 265,1240 749.85,1241 351.532,1242 779.343,1243 1151.59,1244 730,1245 8.721}
{0 CHEMBL612052,1 1.929,2 16.773,3 0.489,4 0.239,5 151.054,6 9.338,7 0.551,8 4.387,9 4.471,10 4.213,11 3.827,12 5.663,13 3.881,14 4.896,15 5,16 4.561,17 4.222,18 6.362,19 4.271,20 5.147,21 5.286,22 4.633,23 4.319,24 6.539,25 4.351,26 5.22,27 5.384,28 4.655,29 4.289,30 6.721,31 4.324,32 5.168,33 5.338,34 4.642,35 4.256,36 6.547,37 4.283,38 5.143,39 5.291,40 4.64,41 4.211,42 6.726,43 4.267,44 5.118,45 5.282,46 4.483,47 4.163,48 6.606,49 4.203,50 5.004,51 5.157,52 4.448,53 4.147,54 6.438,55 4.175,56 0.51,57 1.104,58 12.243,59 5.553,60 69.072,61 5.007,62 1.206,63 1.683,64 18.907,65 9.146,66 119.597,67 9.056,68 1.716,69 1.934,70 32.292,71 11.94,72 188.301,73 12.265,74 2.083,75 1.975,76 37.534,77 11.746,78 256.197,79 12.455,80 1.858,81 1.906,82 39,83 11.249,84 197.275,85 11.716,86 1.953,87 1.832,88 39.242,89 10.677,90 256.304,91 10.714,92 1.977,93 1.734,94 34.282,95 9.641,96 234.342,97 9.805,98 1.451,99 1.645,100 27.964,101 9.274,102 181.016,103 9.966,104 65,105 73,106 0.298,107 0.696,108 0.819,109 0.895,110 0.924,111 0.924,112 3.81,113 0.866,114 -3.11,115 -3.1,116 -2.98,119 37.3,125 1,127 3,128 1,134 8,135 2,136 2,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 8,159 10,160 2,162 1,163 5,165 5,166 8,168 5,169 5,170 1,171 4,172 1,173 5,175 4,177 9,178 10,180 3,181 6,182 1,183 4,187 5,188 9,189 1,190 6,192 1,197 4,198 12,200 2,201 11,202 1,211 7,212 7,215 5,216 2,217 1,219 1,221 1,223 1,224 6,227 6,228 1,229 3,231 1,233 2,234 7,235 7,237 1,238 7,240 3,244 1,246 4472,247 29.101,248 29.101,249 29.101,250 29.101,251 29.101,252 25.474,253 29.199,254 16.519,255 29.754,256 24.127,257 24.127,258 24.127,259 24.127,260 24.127,261 18.54,262 32.124,263 7.819,264 25.344,265 4.137,266 1.567,267 0.769,268 0.28,269 0.09,270 0.09,271 4.513,276 1618,277 4.416,280 360.135,281 453.048,282 197.851,284 2.783,285 88.928,286 0.25,287 0.33,288 0.5,289 0.1,291 0.33,292 0.5,293 0.29,294 101.5,295 738,296 4.705,297 4.473,298 6.935,299 4.252,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.354,315 3.552,316 6.557,317 4.007,318 3.068,319 4.032,320 0.98,321 10.257,322 2.897,323 4.278,324 3.213,325 6.341,326 3.906,327 2.94,328 3.899,330 9.53,331 2.857,332 4.16,333 3.002,334 6.279,335 3.871,336 2.882,337 3.598,339 9.479,340 2.81,341 3.992,342 2.775,343 6.011,344 3.581,345 2.637,346 3.314,347 8.595,348 2.484,349 3.674,350 2.677,351 5.864,352 3.306,353 2.374,354 3.001,355 7.869,356 2.202,357 3.561,358 2.572,359 5.246,360 3.146,361 2.199,362 2.89,363 6.104,364 2.075,365 3.357,366 2.382,367 5.057,368 2.928,369 1.942,370 2.592,371 5.916,372 1.908,373 3.1,374 2.243,375 4.868,376 2.82,377 1.882,378 2.363,379 5.163,380 1.747,381 3.042,382 1.969,383 4.794,384 2.589,385 1.641,386 2.12,387 4.751,388 1.551,389 2.861,390 1.69,391 4.555,392 2.477,393 1.586,394 2.015,395 4.634,396 1.405,397 2.756,398 1.543,399 4.148,400 2.392,401 1.414,402 1.84,403 3.246,404 1.377,405 2.711,406 1.469,407 4.05,408 2.23,409 1.264,410 1.763,411 3.07,412 1.22,413 2.558,414 1.311,415 3.894,416 2.053,417 1.114,418 1.579,419 2.962,420 1.046,421 19.933,422 0.453,423 1.427,424 0.032,425 60.75,426 1.381,427 30,428 0.682,429 30.75,430 0.699,431 37.961,432 0.863,433 48.467,434 0.723,435 59.559,436 1.354,437 12.15,438 0.276,439 8.853,440 0.201,441 0.137,442 0.042,443 0.391,447 0.891,448 1.355,449 0.735,450 1.215,451 0.919,452 0.837,453 0.763,454 1.037,455 0.775,456 0.981,457 0.65,458 0.924,459 1.02,460 1.2,461 0.987,462 1.132,463 0.95,464 1.061,465 1.053,466 1.005,467 0.992,468 0.95,469 0.995,470 0.967,471 1.082,472 1.038,473 1.086,474 0.997,475 1.054,476 0.899,477 1.077,478 1.094,479 1.257,480 1.169,481 1.081,482 0.962,483 1.239,484 0.87,485 1.168,486 0.821,487 1.226,488 0.932,489 1.069,490 1.129,491 1.033,492 1.055,493 1.052,494 1.05,495 10.5,496 0.475,497 6.444,498 3.986,499 3.129,500 2.045,501 1.249,502 0.869,503 0.73,504 0.538,505 36892,506 130946,507 2.076,508 34.3,510 13,511 2,512 1,513 7,518 1.821,519 1.906,520 3.993,521 3.816,524 129.231,525 1.929,526 4.499,527 5.297,528 5.786,529 5.977,530 5.977,531 3.5,532 5.323,533 5.427,534 4.209,535 3981.72,536 9.607,537 75165.6,539 406.428,540 1.625,541 5.369,542 0.214,543 0.008,544 0.088,545 0.054,546 0.043,547 0.03,548 0.018,549 0.014,550 0.012,551 0.009,552 0.491,553 0.17,554 0.5,555 0.571,556 257.483,557 -0.127,558 -0.119,559 0.121,560 -0.072,561 -0.226,562 0.057,563 0.128,564 0.106,565 -0.019,566 -0.003,567 0.097,568 -0.05,569 -0.029,570 -0.181,571 -0.047,572 -0.123,573 -0.056,574 -0.104,575 0.008,576 -0.017,577 0.006,578 -0.001,579 0.043,580 -0.025,581 -0.062,582 -0.02,583 0.04,584 0.038,585 -0.079,586 0.063,587 0.034,588 -0.054,589 -0.108,590 -0.108,591 0.075,592 -0.045,593 -0.119,594 0.123,595 -0.186,596 0.084,597 -0.096,598 -0.032,599 -0.091,600 -0.104,601 -0.091,602 -0.084,603 -0.059,604 -0.107,605 5.628,606 5.367,607 0.705,608 64.541,609 1.047,610 1.137,611 1.876,612 3.518,613 0.673,614 3.912,615 4.304,616 4.595,617 4.883,618 5.081,619 5.242,620 5.403,621 5.591,622 5.733,623 5.881,624 9.696,625 0.679,626 625.64,627 3.912,628 5.501,629 6.375,630 7.284,631 8.173,632 9.085,633 9.982,634 10.896,635 11.798,636 12.714,637 13.4,640 1,643 1,644 2,646 5,650 2,651 10,652 5,653 7,654 2,655 27,659 1,663 2,666 67,667 30,668 2,669 49,671 72,672 25,673 19,674 4,675 8,676 1,677 6,678 7,683 3,686 3,688 20,689 5,691 3,693 1,694 3,697 1,700 23,701 16,702 7,703 19,704 1,706 1,707 9,711 0.833,712 9,714 2,715 1,717 1,721 3,722 3,730 2,731 1,732 5,733 1,739 44,740 1,742 1,743 4,744 1,745 1,746 2,747 4,751 1,754 13.4,755 2,756 2,757 3,758 2,761 23.083,762 11.45,763 9.306,764 3.438,765 4.846,766 1.518,767 0.936,768 7.95,769 14.192,770 4.197,771 4.864,772 5.426,773 6.034,774 6.517,775 6.912,776 7.365,777 7.832,778 8.209,779 8.63,780 1,781 74,782 17.056,783 8.361,784 8.271,785 29.411,786 24.712,787 2.771,788 121.917,789 188.338,790 127.499,791 136.538,793 259.737,795 7.511,796 119.987,797 448.074,798 136.538,800 20.997,801 210.633,802 284.74,803 14.948,804 27.769,805 153.024,807 188.338,808 256.525,809 259.737,810 7.511,812 188.338,813 154.825,814 104.912,815 41.807,816 131.158,817 91.071,819 188.338,820 396.274,821 127.499,823 7.511,824 188.338,825 26.511,826 97.152,827 16.405,828 376.194,829 188.338,830 396.274,831 127.499,833 0.602,834 0.353,835 0.187,836 0.097,837 37,838 18,839 0.111,840 8,841 1,842 1.065,843 5.188,844 470.62,845 0.065,846 31,847 238.215,848 1,849 29.858,850 11.715,851 5.978,852 0.226,853 392.599,854 14.406,855 20.893,856 0.22,857 2.505,858 220.036,859 712.111,860 65.5,862 -4.712,863 37,866 -1.145,867 70.124,868 76.196,869 0.318,870 0.742,871 0.873,872 0.954,873 0.985,874 0.985,875 5.475,876 2.199,877 6.412,878 7.869,879 4.99,880 5.553,881 2.31,882 7.29,883 4.891,884 6.726,885 1.942,886 8.021,887 6.104,888 4.796,889 5.602,891 8.401,892 4.663,893 8.078,894 1.882,895 9.731,896 5.916,897 6.688,898 7.854,899 2.87,900 11.465,901 6.503,902 9.467,903 1.641,904 11.498,905 5.163,906 7.28,907 8.708,909 13.351,910 7.059,911 10.887,912 1.586,913 13.3,914 4.751,915 8.691,916 10.482,917 3.593,918 15.971,919 8.426,920 12.329,921 1.414,922 15.126,923 4.634,924 9.608,925 11.685,927 18.157,928 9.303,929 13.788,930 1.264,931 16.969,932 3.246,933 10.851,934 13.286,935 4.417,936 20.635,937 10.506,938 3.319,939 1.114,940 18.823,941 3.07,942 11.906,943 14.646,945 22.946,946 11.519,947 3.235,948 11.665,949 20.687,950 2.962,951 13.091,952 16.182,953 5.291,954 25.378,955 12.664,956 3.068,957 11.105,958 22.558,959 4.625,960 14.205,961 17.616,963 27.746,964 13.737,965 2.94,966 10.257,967 24.435,968 4.489,969 15.371,970 19.129,971 6.188,972 30.166,973 14.863,974 2.882,975 9.53,976 26.317,977 4.032,978 16.513,979 20.6,981 32.562,982 15.964,983 2.637,984 9.479,985 28.203,986 3.899,987 17.676,988 22.107,989 7.095,990 34.982,991 17.087,992 2.374,993 8.595,994 30.093,995 3.598,996 18.832,997 23.597,999 37.394,1000 18.202,1001 34306,1002 64887,1003 32.134,1004 45.119,1005 76.025,1006 78.053,1007 78.374,1008 75.31,1009 75.266,1010 99.351,1011 7.2,1012 229.785,1013 71.427,1014 5.683,1015 6.473,1016 6.62,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 26.247,1024 1.552,1025 1.593,1026 1.599,1027 1.537,1028 1.536,1029 2.028,1030 0.147,1031 4.689,1032 1.458,1033 4.138,1034 4.19,1035 4.71,1036 3.952,1037 7.725,1038 3.979,1039 3.989,1040 4.002,1041 4.115,1042 3.882,1043 7.428,1044 3.867,1045 3.963,1046 3.977,1047 3.926,1048 3.853,1049 6.999,1050 3.861,1051 3.855,1052 3.855,1053 3.855,1054 3.764,1055 6.496,1056 3.692,1057 3.773,1058 3.776,1059 3.737,1060 3.59,1061 6.471,1062 3.586,1063 3.679,1064 3.715,1065 3.635,1066 3.464,1067 6.467,1068 3.499,1069 3.303,1070 3.382,1071 3.234,1072 3.063,1073 6.4,1074 3.094,1075 3.201,1076 3.224,1077 3.17,1078 2.982,1079 5.288,1080 3.005,1081 0.096,1082 0.091,1083 0.142,1084 0.087,1085 0.068,1086 4.705,1087 0.094,1088 4.473,1089 0.032,1090 6.935,1091 0.238,1092 4.252,1093 0.065,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.901,1100 1.883,1101 1.997,1102 2.04,1103 1.172,1104 2.006,1105 1.897,1106 1.879,1107 1.991,1108 2.005,1109 1.088,1110 2.002,1111 1.811,1112 1.765,1113 1.847,1114 1.978,1115 1.065,1116 1.97,1117 1.646,1118 1.676,1119 1.777,1120 1.858,1121 1,1122 1.869,1123 1.558,1124 1.535,1125 1.653,1126 1.814,1127 0.782,1128 1.782,1129 1.442,1130 1.42,1131 1.472,1132 1.683,1133 0.578,1134 1.68,1135 1.356,1136 1.309,1137 1.363,1138 1.586,1139 0.548,1140 1.546,1141 1.14,1142 1.085,1143 1.317,1144 1.421,1145 0.405,1146 1.391,1147 4.595,1149 5.969,1150 3.434,1151 7.517,1152 5.82,1153 9.143,1154 7.934,1155 10.812,1161 6.109,1162 40.921,1163 -0.788,1164 1.649,1165 10.54,1166 -5.908,1170 45.5,1171 129.231,1172 301.434,1173 354.918,1174 387.673,1175 400.428,1176 400.428,1177 121.212,1178 9.346,1179 262.95,1180 271.33,1181 33,1182 13.228,1183 4.954,1184 4.129,1185 66.281,1186 254,1187 254,1188 0.124,1189 276.408,1190 474.7,1191 666.196,1192 196474,1194 31.173,1195 0.708,1196 0.524,1197 31.423,1198 23.053,1199 21.003,1200 0.429,1201 0.289,1202 12.543,1203 19.014,1204 12.344,1205 10.086,1206 21.856,1207 14.146,1208 20.331,1209 0.279,1210 0.149,1211 21.64,1212 10.913,1213 17.086,1214 0.174,1215 0.077,1216 17.934,1217 7.524,1218 14.455,1219 0.11,1220 0.04,1221 15.305,1222 5.2,1223 10.91,1224 0.068,1225 0.021,1226 11.659,1227 3.392,1228 0.199,1229 144.07,1230 0.176,1231 39.101,1232 0.328,1233 244,1234 909.298,1235 319.122,1236 874.907,1237 1173.49,1238 806,1239 293,1240 836.881,1241 381.36,1242 868.684,1243 1281.96,1244 814,1245 9.244}
{0 CHEMBL612053,1 1.902,2 13.886,3 -0.426,4 0.181,5 119.16,6 8.887,7 0.41,8 4.215,9 4.297,10 4.027,11 3.649,12 5.395,13 3.689,14 4.758,15 4.878,16 4.324,17 4.012,18 6.173,19 4.041,20 4.995,21 5.155,22 4.409,23 4.103,24 6.329,25 4.121,26 5.042,27 5.203,28 4.44,29 4.094,30 6.536,31 4.114,32 5.003,33 5.171,34 4.428,35 4.096,36 6.344,37 4.093,38 4.995,39 5.146,40 4.385,41 4.031,42 6.539,43 4.05,44 4.924,45 5.099,46 4.132,47 3.888,48 6.387,49 3.888,50 4.735,51 4.903,52 4.06,53 3.814,54 6.062,55 3.809,56 0.384,57 0.907,58 12.369,59 4.93,60 53.516,61 5.11,62 1.1,63 1.362,64 20.397,65 8.085,66 114.725,67 8.968,68 1.522,69 1.533,70 33.452,71 10.327,72 160.642,73 11.894,74 1.802,75 1.543,76 35.011,77 10.051,78 224.084,79 11.405,80 1.562,81 1.52,82 36.204,83 10.182,84 164.505,85 11.3,86 1.686,87 1.445,88 38.067,89 9.956,90 225.518,91 10.997,92 1.712,93 1.258,94 32.68,95 8.554,96 200.556,97 9.672,98 1.102,99 1.117,100 26.242,101 7.929,102 142.907,103 9.297,104 37,105 58,106 0.308,107 0.707,108 0.852,109 0.894,110 0.906,111 0.906,112 3.588,113 0.93,114 -2.86,115 -2.87,116 -2.77,119 35.1,121 2,125 1,127 4,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 5,159 7,160 1,163 5,165 5,166 4,168 3,169 1,171 4,172 1,173 3,175 2,177 6,178 7,181 5,182 1,183 3,187 3,188 6,190 4,192 1,197 1,198 10,201 8,202 1,211 5,212 4,215 4,216 2,224 3,227 2,228 1,229 1,234 6,235 3,238 5,240 4,246 2275,247 23.223,248 23.223,249 23.223,250 23.223,251 23.223,252 20.864,253 27.042,254 13.202,255 23.785,256 19.194,257 19.194,258 19.194,259 19.194,260 19.194,261 15.533,262 38.461,263 6.223,264 20.227,265 3.931,266 1.471,267 0.575,268 0.316,269 0.246,270 0.246,271 4.28,276 1072,277 4.301,278 59.342,280 184.057,281 237.611,282 155.661,284 2.181,285 72.276,286 0.5,287 0.67,288 0.67,289 0.8,290 0.5,291 0.5,292 0.5,293 0.59,294 81,295 486,296 4.705,297 4.473,298 6.932,299 4.246,300 3.308,301 4.587,302 1.579,303 11.653,304 3.209,305 4.65,306 3.587,307 6.764,308 4.211,309 3.233,310 4.489,311 1.041,312 11.104,313 3.05,314 4.278,315 3.552,316 6.553,317 3.965,318 3.025,319 3.899,320 0.98,321 10.243,322 2.86,323 4.153,324 3.173,325 6.341,326 3.873,327 2.882,328 3.354,329 0.4,330 9.48,331 2.825,332 3.784,333 2.827,334 5.967,335 3.641,336 2.68,337 2.964,339 8.344,340 2.578,341 3.522,342 2.677,343 5.529,344 3.286,345 2.348,346 2.594,347 7.321,348 2.19,349 3.357,350 2.518,351 5.237,352 2.928,353 1.943,354 2.586,355 5.993,356 1.908,357 3.057,358 2.241,359 4.87,360 2.827,361 1.885,362 2.323,363 5.166,364 1.755,365 3.029,366 1.972,367 4.811,368 2.495,369 1.601,370 2.108,371 4.81,372 1.424,373 2.861,374 1.549,375 4.231,376 2.446,377 1.543,378 2.015,379 3.704,380 1.39,381 2.736,382 1.543,383 4.073,384 2.392,385 1.414,386 1.765,387 3.07,388 1.377,389 2.55,390 1.469,391 3.894,392 2.051,393 1.049,394 1.512,395 2.997,396 1.046,397 2.417,398 1.311,399 3.605,400 1.946,401 1.039,402 1.39,403 2.615,404 0.938,405 2.131,406 1.261,407 3.439,408 1.737,409 0.836,410 1.048,411 2.041,412 0.751,413 1.773,414 0.937,415 3.38,416 1.561,417 0.697,418 0.729,419 1.687,420 0.595,421 15.9,422 0.454,423 1.112,424 0.032,425 44.5,426 1.271,427 19.5,428 0.557,429 25,430 0.714,431 30.652,432 0.876,433 39.9,434 0.7,435 39.682,436 1.134,437 8.56,438 0.245,439 8.172,440 0.233,441 0.126,442 0.052,443 0.371,447 0.857,448 1.575,449 0.747,450 1.351,451 0.836,452 0.932,453 0.785,454 1.098,455 0.846,456 1.023,457 0.642,458 1.011,459 0.995,460 1.119,461 0.929,462 1.04,463 0.906,464 0.956,465 1.079,466 0.963,467 0.98,468 0.917,469 1.018,470 0.931,471 1.085,472 1.016,473 1.109,474 1.044,475 1.089,476 0.948,477 1.088,478 1.133,479 1.306,480 1.281,481 1.074,482 1.071,483 1.272,484 0.778,485 1.222,486 0.878,487 1.313,488 1.025,489 1.141,490 1.088,491 1.023,492 1.111,493 1.133,494 1.058,495 8,496 0.303,497 5.167,498 3.451,499 2.176,500 1.493,501 0.945,502 0.569,503 0.445,504 0.398,505 19646,506 65070,507 2.082,508 38.6,510 10,511 1,512 2,513 5,515 4,518 1.766,519 1.918,520 3.718,521 2.445,524 108.419,525 1.902,526 4.362,527 5.258,528 5.517,529 5.587,530 5.587,531 3.247,532 4.901,533 5.1,534 3.931,535 2338.98,536 8.947,537 36949.5,539 332.475,540 1.628,541 5.041,542 0.205,543 0.009,544 0.094,545 0.061,546 0.039,547 0.028,548 0.018,549 0.014,550 0.012,551 0.01,552 0.489,553 0.17,554 0.63,555 0.583,556 190.54,557 -0.112,558 -0.288,559 0.158,560 -0.137,561 -0.173,562 0.032,563 0.134,564 0.049,565 -0.042,566 -0.047,567 0.121,568 -0.102,569 0.014,570 -0.114,571 0.043,572 -0.042,573 -0.014,574 0.012,575 0.024,576 0.03,577 0.009,578 0.036,579 0.072,580 -0.005,581 -0.055,582 0.015,583 0.004,584 0.021,585 -0.092,586 0.013,587 0.033,588 -0.11,589 -0.141,590 -0.182,591 0.107,592 -0.125,593 -0.094,594 0.169,595 -0.214,596 0.031,597 -0.073,598 -0.115,599 -0.117,600 -0.125,601 -0.02,602 -0.097,603 -0.076,604 -0.065,605 5.539,606 5.212,607 0.657,608 40.286,609 1.042,610 1.139,611 1.628,612 2.651,613 0.656,614 3.689,615 4.078,616 4.331,617 4.605,618 4.787,619 4.913,620 5.043,621 5.198,622 5.268,623 5.338,624 8.104,625 0.653,626 506.55,627 3.689,628 5.273,629 6.146,630 7.055,631 7.943,632 8.855,633 9.75,634 10.663,635 11.563,636 12.478,637 10.5,641 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,660 1,663 1,666 57,667 19,668 1,669 39,671 61,672 20,673 11,674 2,675 4,676 1,677 5,678 6,683 6,686 6,688 12,689 8,691 3,693 1,694 3,697 1,700 22,701 13,702 5,703 15,704 1,706 1,707 6,711 0.8,712 8,714 2,715 1,717 1,719 1,721 2,722 2,730 2,731 1,732 4,733 1,739 35,742 1,743 3,744 3,745 2,746 2,747 5,754 14,755 2,756 1,757 3,758 2,761 18.25,762 9.567,763 7.417,764 3.119,765 2.956,766 1.359,767 0.921,768 6.455,769 11.181,770 3.932,771 4.562,772 5.054,773 5.629,774 6.071,775 6.364,776 6.719,777 7.064,778 7.141,779 7.323,780 1,781 57,782 13.698,783 6.791,784 8.245,785 23.846,786 20.474,787 2.745,788 96.083,789 200.109,790 86.393,791 86.671,793 217.053,795 7.511,796 78.881,797 417.162,798 86.671,800 26.066,801 130.783,802 238.635,803 15.847,804 14.099,805 164.795,807 200.109,808 165.553,809 217.053,810 7.511,812 153.024,813 159.226,814 104.912,815 49.062,816 48.123,817 75.879,819 200.109,820 303.725,821 86.393,823 7.511,824 200.109,825 23.739,826 57.041,827 34.416,828 267.41,829 200.109,830 303.725,831 86.393,833 0.601,834 0.341,835 0.18,836 0.091,837 30,838 14,839 0.131,840 8,841 1,842 1.087,843 4.558,844 339.41,845 0.087,846 23,847 175.525,848 1,849 24.026,850 9.404,851 5.145,852 0.808,853 301.826,854 8.089,855 12.68,856 -0.139,857 1.414,858 162.466,859 590.226,860 50,862 -4.623,863 36.568,866 -1.103,867 59.374,868 64.907,869 0.326,870 0.748,871 0.901,872 0.946,873 0.958,874 0.958,875 5.22,876 1.885,877 6.184,878 5.993,879 4.762,880 5.25,881 2.341,882 7.067,883 4.659,884 6.465,885 1.601,886 7.799,887 5.166,888 4.635,889 5.373,891 8.249,892 4.521,893 7.82,894 1.543,895 9.518,896 4.81,897 6.482,898 7.539,899 2.873,900 11.282,901 6.294,902 9.212,903 1.414,904 11.295,905 3.704,906 7.116,907 8.464,909 13.215,910 6.911,911 10.638,912 1.049,913 13.108,914 3.07,915 8.509,916 10.201,917 3.593,918 15.83,919 8.246,920 12.085,921 1.039,922 14.944,923 2.997,924 9.45,925 11.457,927 18.044,928 9.159,929 13.551,930 0.836,931 16.796,932 2.615,933 10.689,934 13.046,935 4.417,936 20.528,937 10.349,938 3.308,939 0.697,940 18.66,941 2.041,942 11.758,943 14.442,945 22.857,946 11.383,947 3.233,948 11.653,949 20.532,950 1.687,951 12.943,952 15.979,953 5.291,954 25.297,955 12.524,956 3.025,957 11.104,958 22.412,959 4.587,960 14.066,961 17.435,963 27.677,964 13.609,965 2.882,966 10.243,967 24.297,968 4.489,969 15.235,970 18.952,971 6.188,972 30.105,973 14.737,974 2.68,975 9.48,976 26.187,977 3.899,978 16.382,979 20.437,981 32.509,982 15.846,983 2.348,984 8.344,985 28.081,986 3.354,987 17.548,988 21.948,989 7.095,990 34.935,991 16.973,992 1.943,993 7.321,994 29.978,995 2.964,996 18.708,997 23.445,999 37.352,1000 18.094,1001 18274,1002 33486,1003 25.66,1004 37.409,1005 59.822,1006 62.308,1007 62.14,1008 59.357,1009 59.464,1010 75.285,1011 8,1012 181.719,1013 56.251,1014 5.683,1015 6.473,1016 6.617,1017 5.363,1018 5.308,1019 7.587,1020 3.158,1021 19.382,1022 5.209,1023 19.136,1024 1.534,1025 1.598,1026 1.593,1027 1.522,1028 1.525,1029 1.93,1030 0.205,1031 4.659,1032 1.442,1033 4.121,1034 4.17,1035 4.709,1036 3.938,1037 7.725,1038 3.963,1039 3.987,1040 3.976,1041 4.09,1042 3.879,1043 7.428,1044 3.864,1045 3.876,1046 3.925,1047 3.856,1048 3.766,1049 6.999,1050 3.729,1051 3.84,1052 3.838,1053 3.759,1054 3.725,1055 6.495,1056 3.68,1057 3.741,1058 3.735,1059 3.678,1060 3.571,1061 6.468,1062 3.563,1063 3.311,1064 3.385,1065 3.238,1066 3.073,1067 6.4,1068 3.102,1069 3.202,1070 3.226,1071 3.17,1072 2.983,1073 5.156,1074 3.006,1075 3.077,1076 3.097,1077 2.969,1078 2.853,1079 4.626,1080 2.857,1081 0.121,1082 0.115,1083 0.178,1084 0.109,1085 0.085,1086 4.705,1087 0.118,1088 4.473,1089 0.04,1090 6.932,1091 0.299,1092 4.246,1093 0.082,1094 3.308,1095 4.587,1096 1.579,1097 11.653,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.01,1103 1.172,1104 2.006,1105 1.802,1106 1.757,1107 1.851,1108 2.004,1109 1.065,1110 1.967,1111 1.646,1112 1.676,1113 1.778,1114 1.858,1115 1.007,1116 1.869,1117 1.558,1118 1.534,1119 1.657,1120 1.808,1121 0.871,1122 1.779,1123 1.444,1124 1.422,1125 1.513,1126 1.683,1127 0.825,1128 1.681,1129 1.187,1130 1.116,1131 1.435,1132 1.454,1133 0.69,1134 1.447,1135 1.153,1136 1.064,1137 1.358,1138 1.397,1139 0.567,1140 1.429,1141 1.115,1142 1.062,1143 1.315,1144 1.376,1145 0.405,1146 1.38,1147 4.369,1148 1.946,1149 5.74,1150 4.111,1151 7.29,1152 6.138,1153 8.918,1154 8.091,1155 10.587,1162 30.682,1163 1.356,1164 4.908,1165 10.465,1166 -5.022,1170 37.248,1171 108.419,1172 248.647,1173 299.72,1174 314.475,1175 318.475,1176 318.475,1177 93.76,1178 8.226,1179 198.02,1180 206.4,1181 25,1182 12.993,1183 4.322,1184 3.585,1185 52.382,1186 171,1187 159,1188 0.147,1189 226.098,1190 393.77,1191 543.439,1192 48410,1194 24.742,1195 0.707,1196 0.539,1197 24.992,1198 18.869,1199 16.732,1200 0.429,1201 0.31,1202 10.544,1203 14.993,1204 10.371,1205 8.436,1206 17.586,1207 12.093,1208 16.127,1209 0.278,1210 0.165,1211 17.436,1212 9.546,1213 13.044,1214 0.174,1215 0.083,1216 13.892,1217 6.235,1218 10.897,1219 0.11,1220 0.044,1221 11.748,1222 4.308,1223 8.198,1224 0.069,1225 0.024,1226 8.947,1227 2.858,1228 0.235,1229 116.596,1230 0.197,1231 32.451,1232 0.393,1233 194,1234 715.233,1235 261.356,1236 683.048,1237 909.01,1238 630,1239 233,1240 626.109,1241 312.76,1242 658.06,1243 976.37,1244 617,1245 8.733}
{0 CHEMBL612056,1 1.883,2 14.371,3 -0.043,4 0.002,5 121.222,6 8.62,7 0.421,8 4.228,9 4.316,10 4.012,11 3.642,12 5.413,13 3.677,14 4.781,15 4.911,16 4.322,17 4.024,18 6.184,19 4.048,20 5.031,21 5.198,22 4.414,23 4.128,24 6.346,25 4.135,26 5.084,27 5.261,28 4.431,29 4.109,30 6.554,31 4.119,32 5.025,33 5.201,34 4.418,35 4.101,36 6.355,37 4.09,38 5.015,39 5.173,40 4.386,41 4.046,42 6.554,43 4.061,44 4.96,45 5.133,46 4.174,47 3.943,48 6.419,49 3.939,50 4.82,51 5.008,52 4.053,53 3.861,54 6.114,55 3.838,56 0.37,57 0.91,58 13.541,59 4.989,60 50.185,61 5.573,62 1.11,63 1.37,64 22.837,65 8.324,66 113.774,67 9.779,68 1.501,69 1.559,70 35.839,71 10.697,72 159.69,73 13.091,74 1.843,75 1.559,76 38.588,77 10.159,78 225.716,79 12.418,80 1.548,81 1.513,82 38.505,83 10.358,84 162.408,85 12.274,86 1.69,87 1.447,88 39.905,89 9.827,90 224.309,91 11.507,92 1.686,93 1.309,94 33.868,95 8.776,96 197.311,97 10.532,98 1.171,99 1.185,100 29.95,101 8.122,102 142.547,103 10.325,104 53,105 55,106 0.304,107 0.699,108 0.864,109 0.904,110 0.915,111 0.915,112 3.588,113 0.951,114 -2.86,115 -2.87,116 -2.77,119 33.9,120 1,121 1,125 2,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,147 1,149 1,150 1,157 5,159 7,160 1,163 5,165 4,166 4,168 3,169 1,171 4,172 1,173 4,175 2,177 6,178 6,181 5,182 1,183 3,187 3,188 6,190 4,192 1,197 1,198 9,201 8,202 1,211 5,212 6,215 4,216 2,224 2,227 2,228 1,229 1,234 6,235 4,238 5,240 3,246 2306,247 23.198,248 23.198,249 23.198,250 23.198,251 23.198,252 20.839,253 25.461,254 13.502,255 23.767,256 18.66,257 18.66,258 18.66,259 18.66,260 18.66,261 14.989,262 33.461,263 6.294,264 19.696,265 4,266 1.557,267 0.534,268 0.284,269 0.216,270 0.216,271 4.276,276 1072,277 4.472,280 185.26,281 239.218,282 157.282,284 2.289,285 71.721,286 0.5,287 0.67,288 0.5,289 0.8,290 0.5,291 0.5,292 0.5,293 0.57,294 81,295 503,296 4.705,297 4.473,298 6.931,299 4.245,300 3.307,301 4.587,302 1.579,303 11.648,304 3.209,305 4.648,306 3.586,307 6.764,308 4.209,309 3.233,310 4.489,311 1.041,312 11.104,313 3.046,314 4.278,315 3.552,316 6.549,317 3.952,318 3.012,319 3.899,320 0.98,321 10.22,322 2.859,323 4.148,324 3.151,325 6.341,326 3.872,327 2.882,328 3.345,329 0.4,330 9.48,331 2.812,332 3.702,333 2.678,334 5.943,335 3.365,336 2.442,337 2.943,339 8.177,340 2.247,341 3.357,342 2.654,343 5.306,344 2.933,345 1.969,346 2.592,347 6.141,348 1.91,349 3.084,350 2.261,351 4.874,352 2.872,353 1.909,354 2.325,355 5.168,356 1.802,357 3.04,358 2.087,359 4.829,360 2.569,361 1.661,362 2.145,363 4.866,364 1.506,365 2.861,366 1.577,367 4.265,368 2.45,369 1.545,370 2.015,371 3.733,372 1.398,373 2.756,374 1.544,375 4.074,376 2.392,377 1.414,378 1.779,379 3.122,380 1.377,381 2.55,382 1.543,383 3.894,384 2.349,385 1.405,386 1.522,387 3.07,388 1.316,389 2.519,390 1.469,391 3.605,392 2.051,393 1.048,394 1.512,395 2.623,396 1.045,397 2.391,398 1.311,399 3.501,400 1.945,401 1.038,402 1.368,403 2.614,404 0.937,405 2.089,406 1.217,407 3.439,408 1.71,409 0.802,410 0.996,411 1.799,412 0.726,413 1.773,414 0.907,415 3.25,416 1.56,417 0.695,418 0.729,419 1.678,420 0.594,421 15.9,422 0.454,423 1.044,424 0.03,425 44,426 1.257,427 19.5,428 0.557,429 24.5,430 0.7,431 31.358,432 0.896,433 40.5,434 0.686,435 40.131,436 1.147,437 8.601,438 0.246,439 8.114,440 0.232,441 0.157,442 0.052,443 0.34,447 0.859,448 1.641,449 0.769,450 1.405,451 0.851,452 0.986,453 0.78,454 1.047,455 0.819,456 0.979,457 0.645,458 0.956,459 0.957,460 1.177,461 0.902,462 1.076,463 0.886,464 0.978,465 1.076,466 0.921,467 0.973,468 0.883,469 1.003,470 0.904,471 1.062,472 1.045,473 1.082,474 1.063,475 1.078,476 0.955,477 1.105,478 1.101,479 1.295,480 1.248,481 1.084,482 1.039,483 1.246,484 0.883,485 1.2,486 0.939,487 1.3,488 1.065,489 1.142,490 1.045,491 1.059,492 1.06,493 1.091,494 1.059,495 7.5,496 0.316,497 5.111,498 3.549,499 2.176,500 1.577,501 1.036,502 0.647,503 0.469,504 0.378,505 18404,506 62612,507 2.017,508 40.7,509 3,510 11,511 1,512 2,513 5,515 2,518 1.766,519 1.85,520 3.756,521 2.445,524 111.089,525 1.883,526 4.325,527 5.349,528 5.599,529 5.666,530 5.666,531 3.264,532 4.958,533 5.099,534 3.952,535 2351.23,536 8.946,537 37242.1,539 347.076,540 1.652,541 5.033,542 0.197,543 0.009,544 0.093,545 0.062,546 0.04,547 0.03,548 0.02,549 0.015,550 0.013,551 0.01,552 0.489,553 0.17,554 0.75,555 1.051,556 190.785,557 -0.104,558 -0.322,559 0.161,560 -0.159,561 -0.183,562 0.011,563 0.148,564 0.112,565 0.008,566 0.014,567 0.122,568 -0.023,569 0.043,570 -0.165,571 0.067,572 -0.068,573 0.001,574 0.001,575 0.027,576 0.071,577 0.022,578 0.057,579 0.078,580 0.02,581 -0.03,582 -0.013,583 0.031,584 0.007,585 -0.076,586 0.012,587 0.029,588 -0.059,589 -0.133,590 -0.151,591 0.107,592 -0.1,593 -0.079,594 0.094,595 -0.218,596 -0.023,597 -0.072,598 -0.161,599 -0.139,600 -0.069,601 -0.065,602 -0.077,603 -0.079,604 -0.081,605 5.543,606 5.205,607 0.571,608 41.298,609 1.038,610 1.141,611 1.628,612 2.651,613 0.647,614 3.664,615 4.025,616 4.304,617 4.575,618 4.745,619 4.86,620 4.984,621 5.124,622 5.176,623 5.231,624 8.174,625 0.64,626 508.57,627 3.664,628 5.231,629 6.094,630 6.995,631 7.877,632 8.785,633 9.677,634 10.587,635 11.485,636 12.398,637 10.2,641 1,643 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,660 1,663 1,666 59,667 19,668 1,669 38,671 62,672 20,673 11,674 2,675 4,676 1,677 4,678 5,681 1,683 3,686 4,688 12,689 8,691 3,693 1,694 3,697 1,700 24,701 13,702 5,703 15,704 1,706 1,707 6,711 0.75,712 8,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,735 1,739 35,742 1,743 3,744 3,745 2,746 2,747 4,754 13.6,755 2,756 1,757 3,758 2,761 18.917,762 10.233,763 7.667,764 3.328,765 2.922,766 1.362,767 0.902,768 7.631,769 11.004,770 3.912,771 4.53,772 5.041,773 5.615,774 6.048,775 6.329,776 6.673,777 6.999,778 7.048,779 7.213,780 0.9,781 57,782 13.679,783 6.627,784 8.264,785 23.687,786 19.606,787 2.764,788 96.75,789 223.651,790 94.789,791 86.671,793 217.053,795 7.511,796 87.278,797 440.704,798 86.671,799 8.825,800 25.638,801 130.783,802 238.635,803 15.847,804 14.099,805 188.338,807 223.651,808 173.949,809 217.053,810 7.511,812 200.109,813 135.683,814 104.912,815 57.459,816 48.123,817 75.879,819 223.651,820 303.725,821 94.789,823 7.511,824 223.651,825 23.31,826 65.866,827 34.416,828 267.41,829 223.651,830 303.725,831 94.789,833 0.588,834 0.347,835 0.186,836 0.097,837 26,838 13,839 0.145,840 9,841 1,842 1.1,843 4.451,844 330.562,845 0.1,846 20,847 177.525,848 1,849 25.406,850 10.513,851 5.442,852 0.763,853 301.826,854 8.045,855 12.59,856 -0.186,857 1.399,858 162.466,859 622.164,860 49,862 -4.626,863 36.55,866 -1.106,867 61.258,868 67.322,869 0.32,870 0.735,871 0.909,872 0.952,873 0.963,874 0.963,875 5.182,876 1.661,877 6.125,878 5.168,879 4.71,880 5.218,881 2.341,882 7.004,883 4.602,884 6.415,885 1.545,886 7.736,887 4.866,888 4.511,889 5.316,891 8.176,892 4.388,893 7.766,894 1.414,895 9.454,896 3.733,897 6.409,898 7.515,899 2.873,900 11.233,901 6.214,902 9.159,903 1.405,904 11.235,905 3.122,906 7.022,907 8.441,909 13.176,910 6.808,911 10.588,912 1.048,913 13.052,914 3.07,915 8.436,916 10.187,917 3.593,918 15.799,919 8.165,920 12.04,921 1.038,922 14.894,923 2.623,924 9.378,925 11.447,927 18.022,928 9.079,929 13.511,930 0.802,931 16.751,932 2.614,933 10.627,934 13.04,935 4.417,936 20.509,937 10.28,938 3.307,939 0.695,940 18.621,941 1.799,942 11.701,943 14.438,945 22.842,946 11.32,947 3.233,948 11.648,949 20.499,950 1.678,951 12.893,952 15.975,953 5.291,954 25.284,955 12.469,956 3.012,957 11.104,958 22.383,959 4.587,960 14.021,961 17.433,963 27.666,964 13.56,965 2.882,966 10.22,967 24.272,968 4.489,969 15.195,970 18.95,971 6.188,972 30.095,973 14.693,974 2.442,975 9.48,976 26.165,977 3.899,978 16.346,979 20.435,981 32.5,982 15.807,983 1.969,984 8.177,985 28.062,986 3.345,987 17.516,988 21.946,989 7.095,990 34.926,991 16.938,992 1.909,993 6.141,994 29.961,995 2.943,996 18.678,997 23.444,999 37.344,1000 18.063,1001 17750,1002 33024,1003 24.561,1004 38.17,1005 57.323,1006 59.775,1007 60.372,1008 57.139,1009 57.203,1010 73.025,1011 8,1012 171.72,1013 54.01,1014 5.683,1015 6.473,1016 6.793,1017 5.362,1018 5.307,1019 7.587,1020 3.158,1021 19.372,1022 5.209,1023 20.999,1024 1.508,1025 1.573,1026 1.589,1027 1.504,1028 1.505,1029 1.922,1030 0.211,1031 4.519,1032 1.421,1033 4.114,1034 4.162,1035 4.709,1036 3.929,1037 7.725,1038 3.954,1039 3.987,1040 3.976,1041 4.085,1042 3.875,1043 7.428,1044 3.863,1045 3.855,1046 3.852,1047 3.856,1048 3.764,1049 6.999,1050 3.69,1051 3.759,1052 3.754,1053 3.716,1054 3.584,1055 6.495,1056 3.575,1057 3.614,1058 3.687,1059 3.45,1060 3.44,1061 6.468,1062 3.427,1063 3.315,1064 3.392,1065 3.221,1066 3.078,1067 6.4,1068 3.104,1069 3.204,1070 3.227,1071 3.17,1072 2.985,1073 5.155,1074 3.007,1075 3.077,1076 3.143,1077 2.969,1078 2.854,1079 4.624,1080 2.857,1081 0.124,1082 0.118,1083 0.182,1084 0.112,1085 0.087,1086 4.705,1087 0.121,1088 4.473,1089 0.042,1090 6.931,1091 0.307,1092 4.245,1093 0.084,1094 3.307,1095 4.587,1096 1.579,1097 11.648,1098 3.209,1099 1.897,1100 1.883,1101 1.991,1102 2.022,1103 1.176,1104 2.006,1105 1.814,1106 1.766,1107 1.943,1108 2.005,1109 1.162,1110 1.988,1111 1.649,1112 1.676,1113 1.825,1114 1.861,1115 1.065,1116 1.87,1117 1.616,1118 1.561,1119 1.77,1120 1.85,1121 0.997,1122 1.852,1123 1.532,1124 1.498,1125 1.643,1126 1.75,1127 0.779,1128 1.749,1129 1.437,1130 1.41,1131 1.387,1132 1.679,1133 0.575,1134 1.675,1135 1.128,1136 1.079,1137 1.352,1138 1.425,1139 0.495,1140 1.401,1141 1.018,1142 1.014,1143 1.314,1144 1.306,1145 0.398,1146 1.329,1147 4.344,1149 5.694,1150 3.045,1151 7.229,1152 5.476,1153 8.849,1154 7.627,1155 10.515,1157 1.994,1162 30.653,1163 0.817,1164 4.783,1165 10.446,1166 -5.373,1170 37.775,1171 111.089,1172 255.196,1173 315.566,1174 330.321,1175 334.321,1176 334.321,1177 105.586,1178 8.082,1179 198.02,1180 206.4,1181 22,1182 12.914,1183 4.322,1184 3.585,1185 59.681,1186 172,1187 186,1188 0.168,1189 233.491,1190 406.13,1191 561.478,1192 40344,1194 25.165,1195 0.719,1196 0.551,1197 25.415,1198 19.291,1199 16.714,1200 0.44,1201 0.317,1202 10.498,1203 14.969,1204 10.274,1205 8.452,1206 17.568,1207 12.048,1208 15.59,1209 0.283,1210 0.165,1211 16.899,1212 9.054,1213 12.928,1214 0.177,1215 0.084,1216 13.776,1217 6.148,1218 10.765,1219 0.112,1220 0.044,1221 11.616,1222 4.237,1223 8.054,1224 0.071,1225 0.025,1226 8.802,1227 2.797,1228 0.269,1229 116.536,1230 0.202,1231 32.434,1232 0.448,1233 186,1234 707.233,1235 253.023,1236 674.984,1237 894.63,1238 622,1239 221,1240 611.828,1241 300.427,1242 643.913,1243 953.43,1244 603,1245 8.456}
{0 CHEMBL612057,1 1.886,2 16.651,3 1.179,4 1.39,5 151.265,6 8.767,7 0.438,8 4.414,9 4.509,10 4.198,11 3.855,12 5.607,13 3.89,14 4.964,15 5.092,16 4.541,17 4.267,18 6.337,19 4.288,20 5.225,21 5.396,22 4.613,23 4.37,24 6.515,25 4.369,26 5.273,27 5.456,28 4.635,29 4.327,30 6.704,31 4.336,32 5.21,33 5.4,34 4.62,35 4.281,36 6.517,37 4.289,38 5.172,39 5.335,40 4.615,41 4.231,42 6.696,43 4.272,44 5.14,45 5.31,46 4.473,47 4.181,48 6.599,49 4.21,50 5.039,51 5.206,52 4.42,53 4.172,54 6.4,55 4.184,56 0.427,57 1.143,58 14.729,59 5.925,60 56.761,61 6.346,62 1.177,63 1.766,64 24.881,65 10.247,66 117.037,67 11.769,68 1.624,69 2.028,70 40.62,71 13.256,72 169.686,73 16.061,74 2,75 2.027,76 43.917,77 12.436,78 237.914,79 15.177,80 1.767,81 1.943,82 44.383,83 11.382,84 172.898,85 13.594,86 1.861,87 1.855,88 43.359,89 10.537,90 235.274,91 12.085,92 1.901,93 1.743,94 37.59,95 9.572,96 215.645,97 11.112,98 1.336,99 1.685,100 32.039,101 9.29,102 159.993,103 11.244,104 50,105 71,106 0.291,107 0.707,108 0.851,109 0.897,110 0.914,111 0.914,112 3.788,113 0.916,114 -3.93,115 -3.88,116 -3.68,119 35.7,121 4,125 1,127 3,128 1,130 1,131 1,134 4,135 1,136 1,138 2,139 1,142 1,143 1,147 1,149 1,150 1,152 1,153 1,154 1,155 2,157 10,159 10,160 2,162 1,163 5,165 3,166 10,168 5,169 5,170 1,171 4,172 1,173 3,175 5,177 9,178 11,180 3,181 6,182 1,183 3,187 5,188 11,189 1,190 5,192 1,197 4,198 12,200 2,201 9,202 1,211 7,212 9,215 5,216 2,217 1,219 1,221 1,223 1,224 6,227 4,228 1,229 3,231 1,233 2,234 7,235 8,237 1,238 7,240 4,244 2,246 4201,247 28.654,248 28.654,249 28.654,250 28.654,251 28.654,252 25.517,253 31.538,254 16.396,255 29.265,256 23.644,257 23.644,258 23.644,259 23.644,260 23.644,261 18.717,262 32.001,263 7.763,264 24.783,265 4.243,266 1.542,267 0.611,268 0.314,269 0.2,270 0.2,271 4.493,276 1575,277 4.359,280 350.931,281 441.728,282 192.619,284 2.729,285 82.725,286 0.25,287 0.33,288 0.5,289 0.5,291 0.33,292 0.5,293 0.35,294 98.5,295 716,296 4.705,297 4.473,298 6.935,299 4.251,300 3.319,301 4.625,302 1.579,303 11.665,304 3.209,305 4.678,306 3.588,307 6.764,308 4.217,309 3.235,310 4.489,311 1.041,312 11.105,313 3.06,314 4.336,315 3.552,316 6.557,317 4.004,318 3.066,319 3.964,320 0.98,321 10.256,322 2.885,323 4.278,324 3.217,325 6.341,326 3.891,327 2.924,328 3.899,330 9.493,331 2.855,332 4.15,333 3.047,334 6.269,335 3.869,336 2.881,337 3.411,339 9.474,340 2.802,341 3.916,342 2.782,343 5.996,344 3.537,345 2.592,346 3.224,347 8.523,348 2.443,349 3.644,350 2.677,351 5.861,352 3.29,353 2.357,354 2.912,355 7.86,356 2.189,357 3.357,358 2.555,359 5.246,360 2.928,361 1.943,362 2.592,363 5.917,364 1.908,365 3.275,366 2.244,367 4.868,368 2.856,369 1.891,370 2.553,371 5.163,372 1.821,373 3.043,374 2.004,375 4.794,376 2.818,377 1.877,378 2.122,379 5.035,380 1.746,381 2.861,382 1.967,383 4.674,384 2.478,385 1.587,386 2.015,387 4.749,388 1.411,389 2.773,390 1.553,391 4.192,392 2.419,393 1.456,394 1.842,395 3.672,396 1.395,397 2.71,398 1.543,399 4.136,400 2.392,401 1.414,402 1.741,403 3.07,404 1.377,405 2.55,406 1.469,407 3.894,408 2.055,409 1.129,410 1.512,411 2.99,412 1.047,413 2.479,414 1.311,415 3.67,416 2.05,417 1.046,418 1.468,419 2.617,420 1.04,421 19.6,422 0.456,423 1.321,424 0.031,425 55,426 1.279,427 25,428 0.581,429 30,430 0.698,431 41.04,432 0.954,433 48.2,434 0.689,435 52.856,436 1.229,437 10.586,438 0.246,439 10.023,440 0.233,441 0.122,442 0.043,443 0.372,447 0.828,448 1.426,449 0.741,450 1.282,451 0.852,452 0.916,453 0.713,454 1.065,455 0.782,456 1.017,457 0.607,458 0.975,459 0.91,460 1.179,461 0.906,462 1.11,463 0.846,464 1.028,465 1.014,466 1.012,467 0.949,468 0.951,469 0.964,470 0.957,471 1.104,472 1.026,473 1.057,474 0.966,475 1.065,476 0.868,477 1.141,478 1.1,479 1.243,480 1.147,481 1.106,482 0.937,483 1.308,484 0.897,485 1.158,486 0.834,487 1.309,488 0.929,489 1.164,490 1.143,491 1.063,492 1.05,493 1.128,494 1.044,495 9.5,496 0.437,497 6.222,498 3.799,499 2.858,500 2.014,501 1.193,502 0.807,503 0.73,504 0.508,505 34821,506 110921,507 2.091,508 38.6,509 8,510 10,511 2,512 1,513 6,518 1.816,519 1.933,520 3.975,521 3.032,524 132.042,525 1.886,526 4.587,527 5.518,528 5.815,529 5.929,530 5.929,531 3.485,532 5.194,533 5.394,534 4.181,535 3775.27,536 9.541,537 69889.7,539 429.05,540 1.596,541 5.342,542 0.198,543 0.008,544 0.088,545 0.053,546 0.041,547 0.03,548 0.017,549 0.013,550 0.013,551 0.009,552 0.469,553 0.17,554 0.63,555 0.553,556 249.788,557 -0.072,558 -0.142,559 0.147,560 -0.097,561 -0.175,562 0.036,563 0.187,564 0.083,565 0.02,566 -0.013,567 0.14,568 -0.043,569 0.062,570 -0.172,571 0.051,572 -0.095,573 0.019,574 -0.038,575 0.07,576 -0.024,577 0.045,578 -0.004,579 0.092,580 -0.016,581 -0.049,582 -0.001,583 0.056,584 0.052,585 -0.072,586 0.074,587 0.026,588 -0.04,589 -0.097,590 -0.099,591 0.103,592 -0.036,593 -0.099,594 0.117,595 -0.187,596 0.063,597 -0.079,598 -0.058,599 -0.144,600 -0.089,601 -0.127,602 -0.086,603 -0.093,604 -0.118,605 5.604,606 5.37,607 0.721,608 61.43,609 1.037,610 1.14,611 2.7,612 7.29,613 0.66,614 3.892,615 4.277,616 4.575,617 4.86,618 5.056,619 5.215,620 5.38,621 5.565,622 5.71,623 5.849,624 9.504,625 0.655,626 613.68,627 3.892,628 5.476,629 6.351,630 7.258,631 8.148,632 9.058,633 9.956,634 10.869,635 11.772,636 12.687,637 12.9,640 1,643 1,644 2,646 5,650 2,651 6,652 5,653 5,654 2,655 21,659 1,663 1,666 70,667 25,668 1,669 48,671 75,672 25,673 13,674 2,675 4,676 3,677 6,678 7,683 7,686 7,688 16,689 9,691 4,693 1,694 3,695 1,697 2,700 27,701 15,702 6,703 18,704 1,706 1,707 9,711 0.833,712 8,714 2,715 1,717 1,721 3,722 3,726 1,727 1,730 2,731 1,732 5,733 1,739 43,740 1,742 1,743 3,744 5,745 1,746 2,747 4,751 1,754 11.4,755 2,756 1,757 3,758 2,761 22.25,762 12,763 9.139,764 3.958,765 4.047,766 1.437,767 0.945,768 8.079,769 13.299,770 4.151,771 4.796,772 5.347,773 5.939,774 6.397,775 6.813,776 7.253,777 7.708,778 8.068,779 8.452,780 1,781 72,782 16.715,783 8.16,784 8.157,785 29.373,786 24.963,787 2.657,788 114.25,789 247.193,790 109.208,791 136.538,793 217.053,795 7.511,796 101.697,797 464.246,798 136.538,800 31.136,801 182.204,802 242.056,803 14.948,804 27.769,805 211.88,807 247.193,808 238.235,809 217.053,810 7.511,812 247.193,813 112.141,814 104.912,815 51.945,816 93.253,817 100.548,819 247.193,820 353.591,821 109.208,823 7.511,824 247.193,825 36.65,826 68.723,827 16.405,828 333.51,829 247.193,830 353.591,831 109.208,833 0.599,834 0.354,835 0.188,836 0.097,837 36,838 17,839 0.107,840 8,841 1,842 1.065,843 5.142,844 456.225,845 0.065,846 31,847 231.329,848 1,849 29.436,850 11.802,851 5.946,852 0.343,853 349.915,854 8.306,855 21.321,856 0.084,857 2.685,858 177.352,859 709.992,860 62.5,862 -4.688,863 37.008,864 2.128,866 -0.044,867 72.563,868 79.817,869 0.308,870 0.748,871 0.9,872 0.949,873 0.967,874 0.967,875 5.435,876 1.943,877 6.382,878 7.86,879 4.963,880 5.485,881 2.31,882 7.259,883 4.867,884 6.676,885 1.891,886 7.99,887 5.917,888 4.745,889 5.545,891 8.377,892 4.616,893 8.027,894 1.877,895 9.701,896 5.163,897 6.658,898 7.774,899 2.87,900 11.443,901 6.476,902 9.416,903 1.587,904 11.47,905 5.035,906 7.245,907 8.66,909 13.339,910 7.027,911 10.839,912 1.456,913 13.276,914 4.749,915 8.665,916 10.412,917 3.593,918 15.959,919 8.401,920 12.285,921 1.414,922 15.105,923 3.672,924 9.582,925 11.641,927 18.149,928 9.279,929 13.747,930 1.129,931 16.951,932 3.07,933 10.83,934 13.229,935 4.417,936 20.627,937 10.485,938 3.319,939 1.046,940 18.808,941 2.99,942 11.886,943 14.607,945 22.94,946 11.5,947 3.235,948 11.665,949 20.674,950 2.617,951 13.073,952 16.137,953 5.291,954 25.373,955 12.646,956 3.066,957 11.105,958 22.547,959 4.625,960 14.189,961 17.582,963 27.741,964 13.72,965 2.924,966 10.256,967 24.426,968 4.489,969 15.357,970 19.094,971 6.188,972 30.162,973 14.848,974 2.881,975 9.493,976 26.309,977 3.964,978 16.5,979 20.572,981 32.559,982 15.949,983 2.592,984 9.474,985 28.196,986 3.899,987 17.664,988 22.079,989 7.095,990 34.979,991 17.073,992 2.357,993 8.523,994 30.086,995 3.411,996 18.82,997 23.573,999 37.391,1000 18.189,1001 32260,1002 57972,1003 31.728,1004 46.188,1005 74.225,1006 76.513,1007 76.065,1008 73.641,1009 73.607,1010 94.672,1011 7.2,1012 223.422,1013 70.02,1014 5.683,1015 6.473,1016 6.737,1017 5.368,1018 5.319,1019 7.625,1020 3.158,1021 19.383,1022 5.209,1023 23.939,1024 1.546,1025 1.594,1026 1.585,1027 1.534,1028 1.533,1029 1.972,1030 0.15,1031 4.655,1032 1.459,1033 4.138,1034 4.19,1035 4.71,1036 3.946,1037 7.725,1038 3.975,1039 3.989,1040 3.995,1041 4.113,1042 3.879,1043 7.428,1044 3.864,1045 3.944,1046 3.977,1047 3.893,1048 3.815,1049 6.999,1050 3.819,1051 3.853,1052 3.855,1053 3.854,1054 3.763,1055 6.495,1056 3.691,1057 3.769,1058 3.781,1059 3.719,1060 3.589,1061 6.468,1062 3.582,1063 3.676,1064 3.718,1065 3.59,1066 3.461,1067 6.4,1068 3.487,1069 3.307,1070 3.386,1071 3.234,1072 3.071,1073 5.288,1074 3.099,1075 3.202,1076 3.225,1077 3.17,1078 2.985,1079 5.065,1080 3.007,1081 0.098,1082 0.093,1083 0.144,1084 0.089,1085 0.069,1086 4.705,1087 0.096,1088 4.473,1089 0.033,1090 6.935,1091 0.243,1092 4.251,1093 0.067,1094 3.319,1095 4.625,1096 1.579,1097 11.665,1098 3.209,1099 1.897,1100 1.883,1101 2.072,1102 2.041,1103 1.395,1104 2.032,1105 1.888,1106 1.846,1107 1.991,1108 2.005,1109 1.172,1110 2.006,1111 1.811,1112 1.764,1113 1.848,1114 1.997,1115 1.065,1116 1.981,1117 1.646,1118 1.676,1119 1.778,1120 1.858,1121 1.001,1122 1.869,1123 1.559,1124 1.535,1125 1.654,1126 1.815,1127 0.804,1128 1.783,1129 1.442,1130 1.421,1131 1.539,1132 1.683,1133 0.745,1134 1.68,1135 1.389,1136 1.336,1137 1.44,1138 1.594,1139 0.68,1140 1.57,1141 1.171,1142 1.101,1143 1.367,1144 1.471,1145 0.57,1146 1.431,1147 4.575,1149 5.943,1150 3.434,1151 7.489,1152 5.82,1153 9.114,1154 7.934,1155 10.782,1161 6.142,1162 31.18,1163 3.29,1164 1.665,1165 10.583,1166 -5.755,1170 45.839,1171 132.042,1172 321.076,1173 386.295,1174 407.05,1175 415.05,1176 415.05,1177 114.461,1178 9.252,1179 242.72,1180 251.1,1181 33,1182 13.201,1183 4.7,1184 3.954,1185 64.008,1186 243,1187 250,1188 0.125,1189 278.267,1190 482.09,1191 670.731,1192 175057,1194 30.302,1195 0.705,1196 0.54,1197 30.552,1198 23.202,1199 20.609,1200 0.429,1201 0.305,1202 13.064,1203 18.691,1204 12.853,1205 10.507,1206 21.463,1207 14.652,1208 19.697,1209 0.277,1210 0.16,1211 21.006,1212 11.338,1213 16.759,1214 0.175,1215 0.083,1216 17.607,1217 8.002,1218 14.151,1219 0.111,1220 0.044,1221 15.002,1222 5.621,1223 10.683,1224 0.068,1225 0.024,1226 11.432,1227 3.764,1228 0.2,1229 141.13,1230 0.178,1231 38.388,1232 0.331,1233 238,1234 849.148,1235 311.018,1236 816.665,1237 1100.04,1238 754,1239 286,1240 785.85,1241 372.699,1242 816.478,1243 1208.89,1244 766,1245 8.824}
{0 CHEMBL612058,1 1.926,2 12.581,3 -1.141,4 1.302,5 106.227,6 8.873,7 0.471,8 4.102,9 4.189,10 3.92,11 3.51,12 5.308,13 3.553,14 4.643,15 4.761,16 4.23,17 3.901,18 6.084,19 3.936,20 4.887,21 5.035,22 4.276,23 4.014,24 6.229,25 4.015,26 4.98,27 5.161,28 4.225,29 3.983,30 6.266,31 3.968,32 4.896,33 5.089,34 4.258,35 3.926,36 6.198,37 3.897,38 4.83,39 4.987,40 4.243,41 3.826,42 6.427,43 3.849,44 4.766,45 4.931,46 3.987,47 3.712,48 6.281,49 3.719,50 4.595,51 4.781,52 3.817,53 3.637,54 5.884,55 3.599,56 0.365,57 0.803,58 11.711,59 4.209,60 53.003,61 4.462,62 1.026,63 1.207,64 18.671,65 7.122,66 106.95,67 7.878,68 1.369,69 1.375,70 30.365,71 9.654,72 145.431,73 11.025,74 1.625,75 1.357,76 34.768,77 9.453,78 175.005,79 10.894,80 1.459,81 1.251,82 35.807,83 9.432,84 150.356,85 11.178,86 1.521,87 1.122,88 35.49,89 8.734,90 210.717,91 9.911,92 1.53,93 1.01,94 28.677,95 7.336,96 191.306,97 8.122,98 0.963,99 0.936,100 24.064,101 6.688,102 126.109,103 8.233,104 37,105 50,106 0.321,107 0.715,108 0.858,109 0.906,110 0.919,111 0.919,112 3.472,113 0.929,114 -1.76,115 -1.82,116 -1.84,119 33.3,125 2,127 3,128 1,134 4,135 1,136 1,138 1,139 1,140 1,149 1,150 1,152 1,153 1,154 1,157 4,159 7,162 1,163 4,165 3,166 4,168 3,170 1,171 4,172 1,173 3,175 2,177 3,178 3,180 2,181 4,182 1,183 3,187 3,188 3,190 4,192 1,197 1,198 6,200 1,201 8,202 1,211 4,212 4,215 4,216 2,219 1,224 1,227 1,228 1,229 1,231 1,234 5,235 3,237 1,238 4,240 2,246 1645,247 20.413,248 20.413,249 20.413,250 20.413,251 20.413,252 18.094,253 21.627,254 11.617,255 20.96,256 16.69,257 16.69,258 16.69,259 16.69,260 16.69,261 13.178,262 26.57,263 5.444,264 17.706,265 3.747,266 1.383,267 0.525,268 0.235,269 0.157,270 0.157,271 4.16,276 846,277 3.873,280 161.553,281 208.293,282 135.692,284 1.981,285 61.686,286 0.5,287 0.5,288 0.67,289 0.6,291 0.5,292 0.5,293 0.47,294 72,295 390,296 4.683,297 4.465,298 6.924,299 4.23,300 3.302,301 4.581,302 1.579,303 11.611,304 3.164,305 4.641,306 3.583,307 6.709,308 4.176,309 3.192,310 4.474,311 1.041,312 10.884,313 3.04,314 4.154,315 3.128,316 6.527,317 3.935,318 2.995,319 3.77,320 0.522,321 10.111,322 2.804,323 4.139,324 3.04,325 6.016,326 3.752,327 2.774,328 3.324,330 8.532,331 2.708,332 3.661,333 2.595,334 5.891,335 3.314,336 2.388,337 2.92,339 7.93,340 2.203,341 3.059,342 2.249,343 5.236,344 2.829,345 1.903,346 2.324,347 5.872,348 1.752,349 3.031,350 1.97,351 4.787,352 2.534,353 1.595,354 2.114,355 4.715,356 1.52,357 2.923,358 1.933,359 4.226,360 2.482,361 1.551,362 2.093,363 3.922,364 1.415,365 2.847,366 1.549,367 4.144,368 2.444,369 1.541,370 1.981,371 3.671,372 1.386,373 2.733,374 1.523,375 4.069,376 2.391,377 1.414,378 1.763,379 2.988,380 1.373,381 2.413,382 1.446,383 3.706,384 1.945,385 1.04,386 1.386,387 2.926,388 0.937,389 2.101,390 1.24,391 3.589,392 1.721,393 0.813,394 0.996,395 1.961,396 0.732,397 1.917,398 0.946,399 3.305,400 1.654,401 0.758,402 0.863,403 1.819,404 0.677,405 1.752,406 0.866,407 3.155,408 1.478,409 0.579,410 0.653,411 1.346,412 0.517,413 1.1,414 0.623,415 2.766,416 0.823,417 -0.037,418 -0.039,419 -0.086,420 -0.031,421 14.067,422 0.454,423 0.992,424 0.032,425 40,426 1.29,427 18,428 0.581,429 22,430 0.71,431 25.597,432 0.826,433 35.733,434 0.701,435 34.282,436 1.106,437 7.952,438 0.257,439 6.813,440 0.22,441 0.147,442 0.059,443 0.348,447 0.918,448 1.589,449 0.776,450 1.371,451 0.962,452 0.927,453 0.837,454 0.999,455 0.834,456 0.946,457 0.676,458 0.931,459 0.982,460 1.234,461 1.101,462 1.226,463 0.884,464 1.124,465 1.3,466 0.92,467 1.127,468 0.937,469 1.298,470 1.04,471 0.981,472 0.94,473 1.055,474 1.05,475 0.992,476 0.937,477 1.038,478 1.045,479 1.233,480 1.284,481 1.063,482 0.967,483 1.422,484 0.781,485 1.248,486 0.884,487 1.494,488 1.02,489 1.183,490 1.106,491 1.119,492 1.135,493 1.273,494 1.147,495 7,496 0.249,497 4.889,498 2.799,499 2.016,500 1.344,501 0.88,502 0.516,503 0.333,504 0.293,505 13608,506 48129,507 2.038,508 39.2,510 11,511 1,512 2,513 6,518 1.734,519 1.869,520 3.582,521 3.403,524 98.207,525 1.926,526 4.289,527 5.148,528 5.437,529 5.516,530 5.516,531 3.027,532 4.607,533 4.927,534 3.796,535 1764.94,536 8.593,537 25580.4,539 289.294,540 1.663,541 4.859,542 0.206,543 0.009,544 0.098,545 0.056,546 0.047,547 0.032,548 0.02,549 0.015,550 0.012,551 0.01,552 0.504,553 0.17,554 0.88,555 0.618,556 162.405,557 -0.142,558 -0.279,559 0.162,560 -0.134,561 -0.244,562 0.045,563 0.114,564 0.161,565 -0.032,566 0.041,567 0.121,568 -0.022,569 0.02,570 -0.199,571 -0.113,572 -0.163,573 0.005,574 -0.144,575 -0.2,576 0.026,577 -0.129,578 0.009,579 -0.224,580 -0.096,581 0.042,582 0.02,583 0.109,584 0.032,585 -0.017,586 0.068,587 0.144,588 -0.08,589 0.005,590 -0.133,591 0.233,592 0.013,593 -0.15,594 0.13,595 -0.228,596 0.044,597 -0.095,598 -0.116,599 -0.188,600 -0.158,601 -0.098,602 -0.119,603 -0.171,604 -0.143,605 5.143,606 5.122,607 0.645,608 31.877,609 1.042,610 1.143,611 0.525,612 0.276,613 0.651,614 3.555,615 3.932,616 4.205,617 4.443,618 4.635,619 4.736,620 4.828,621 4.956,622 4.97,623 4.977,624 7.466,625 0.647,626 452.5,627 3.555,628 5.13,629 5.994,630 6.893,631 7.775,632 8.678,633 9.569,634 10.474,635 11.371,636 12.279,637 11.8,639 1,640 1,644 1,646 3,650 2,651 6,652 3,653 3,654 1,655 16,659 1,663 1,666 51,667 18,668 1,669 34,671 54,672 17,673 11,674 2,675 4,677 4,678 5,683 3,686 3,688 11,689 6,691 2,693 1,694 2,698 1,700 20,701 12,702 6,703 14,704 1,706 1,707 6,711 0.75,712 7,714 2,715 1,717 1,721 2,722 2,730 2,731 1,732 3,733 1,739 31,740 1,742 1,743 3,744 2,745 1,746 2,747 4,754 13.7,755 2,756 1,757 2,758 2,761 16.583,762 8.4,763 6.639,764 2.557,765 2.851,766 1.367,767 0.91,768 6.091,769 10.627,770 3.807,771 4.451,772 4.953,773 5.488,774 5.952,775 6.203,776 6.507,777 6.845,778 6.841,779 6.956,780 1,781 50,782 11.946,783 5.734,784 8.277,785 20.879,786 17.509,787 2.777,788 86.083,789 164.795,790 78.725,791 101.558,793 191.908,795 7.511,796 71.213,797 356.704,798 101.558,800 6.698,801 180.085,802 190.774,803 15.847,804 14.099,805 129.482,807 164.795,808 172.771,809 191.908,810 7.511,812 164.795,813 86.996,814 104.912,815 46.099,816 76.316,817 57.868,819 164.795,820 293.466,821 78.725,823 7.511,824 164.795,825 16.071,826 57.041,827 16.405,828 275.162,829 164.795,830 293.466,831 78.725,833 0.6,834 0.352,835 0.176,836 0.094,837 25,838 12,839 0.13,840 7,841 1,842 1.1,843 4.178,844 280.636,845 0.1,846 20,847 151.58,848 1,849 21.853,850 8.641,851 4.485,852 0.575,853 291.567,854 8.768,855 11.957,856 0.427,857 1.367,858 177.352,859 536.986,860 44,862 -4.227,863 24.244,867 53.164,868 58.282,869 0.339,870 0.756,871 0.908,872 0.959,873 0.972,874 0.972,875 5.081,876 1.551,877 6.033,878 4.715,879 4.615,880 5.139,881 2.163,882 6.909,883 4.497,884 6.324,885 1.541,886 7.646,887 3.922,888 4.443,889 5.255,891 8.091,892 4.304,893 7.681,894 1.414,895 9.365,896 3.671,897 6.323,898 7.455,899 2.769,900 11.121,901 6.111,902 9.078,903 1.04,904 11.144,905 2.988,906 6.948,907 8.386,909 13.068,910 6.71,911 10.509,912 0.813,913 12.959,914 2.926,915 8.353,916 10.136,917 3.544,918 15.675,919 8.056,920 11.963,921 0.758,922 14.797,923 1.961,924 9.296,925 11.394,927 17.898,928 8.964,929 13.434,930 0.579,931 16.652,932 1.819,933 10.539,934 12.99,935 4.396,936 20.376,937 10.156,938 3.302,939 -0.037,940 18.518,941 1.346,942 11.61,943 14.386,945 22.709,946 11.186,947 3.192,948 11.611,949 20.393,950 -0.086,951 12.798,952 15.926,953 5.283,954 25.146,955 12.327,956 2.995,957 10.884,958 22.274,959 4.581,960 13.922,961 17.382,963 27.526,964 13.407,965 2.774,966 10.111,967 24.161,968 4.474,969 15.092,970 18.9,971 6.185,972 29.952,973 14.532,974 2.388,975 8.532,976 26.051,977 3.77,978 16.239,979 20.385,981 32.355,982 15.635,983 1.903,984 7.93,985 27.946,986 3.324,987 17.406,988 21.896,989 7.094,990 34.779,991 16.756,992 1.595,993 5.872,994 29.843,995 2.92,996 18.565,997 23.393,999 37.194,1000 17.871,1001 12945,1002 24515,1003 22.076,1004 33.193,1005 51.873,1006 53.54,1007 54.217,1008 51.662,1009 51.687,1010 66.482,1011 6.283,1012 156.576,1013 48.457,1014 5.659,1015 6.465,1016 6.613,1017 5.346,1018 5.302,1019 7.581,1020 3.158,1021 19.32,1022 5.164,1023 17.756,1024 1.526,1025 1.575,1026 1.595,1027 1.519,1028 1.52,1029 1.955,1030 0.185,1031 4.605,1032 1.425,1033 4.109,1034 4.157,1035 4.708,1036 3.925,1037 7.723,1038 3.948,1039 3.982,1040 3.98,1041 4.08,1042 3.874,1043 6.999,1044 3.86,1045 3.854,1046 3.849,1047 3.841,1048 3.763,1049 6.495,1050 3.688,1051 3.753,1052 3.743,1053 3.711,1054 3.578,1055 6.469,1056 3.569,1057 3.339,1058 3.421,1059 3.266,1060 3.088,1061 6.4,1062 3.118,1063 3.175,1064 3.236,1065 3.031,1066 2.99,1067 5.271,1068 2.981,1069 3.065,1070 3.109,1071 2.958,1072 2.854,1073 4.856,1074 2.854,1075 2.989,1076 3.094,1077 2.878,1078 2.746,1079 4.639,1080 2.749,1081 0.138,1082 0.131,1083 0.204,1084 0.124,1085 0.097,1086 4.683,1087 0.135,1088 4.465,1089 0.046,1090 6.924,1091 0.341,1092 4.23,1093 0.093,1094 3.302,1095 4.581,1096 1.579,1097 11.611,1098 3.164,1099 1.906,1100 1.885,1101 2.013,1102 2.011,1103 1.174,1104 2.023,1105 1.797,1106 1.751,1107 1.849,1108 2.008,1109 1.147,1110 1.965,1111 1.648,1112 1.676,1113 1.777,1114 1.858,1115 0.997,1116 1.87,1117 1.556,1118 1.531,1119 1.651,1120 1.804,1121 0.766,1122 1.776,1123 1.448,1124 1.419,1125 1.528,1126 1.686,1127 0.728,1128 1.688,1129 1.143,1130 1.086,1131 1.348,1132 1.431,1133 0.447,1134 1.413,1135 1.052,1136 1.021,1137 1.148,1138 1.283,1139 0.293,1140 1.299,1141 0.883,1142 0.839,1143 1.143,1144 1.223,1145 0.163,1146 1.211,1147 4.234,1149 5.595,1150 3.045,1151 7.136,1152 5.476,1153 8.756,1154 7.627,1155 10.416,1161 5.744,1162 30.399,1163 -0.759,1164 2.18,1165 10.499,1166 -5.09,1170 33.007,1171 98.207,1172 218.764,1173 262.539,1174 277.294,1175 281.294,1176 281.294,1177 81.674,1178 7.776,1179 194.94,1180 203.32,1181 22,1182 12.798,1183 4.248,1184 3.459,1185 49.631,1186 139,1187 133,1188 0.172,1189 203.645,1190 348.08,1191 488.654,1192 27490,1194 22.173,1195 0.715,1196 0.54,1197 22.423,1198 16.753,1199 14.766,1200 0.434,1201 0.31,1202 9,1203 13.086,1204 8.824,1205 7.192,1206 15.619,1207 10.529,1208 14.118,1209 0.282,1210 0.165,1211 15.45,1212 8.25,1213 11.907,1214 0.18,1215 0.087,1216 12.728,1217 5.761,1218 9.329,1219 0.111,1220 0.047,1221 9.968,1222 3.907,1223 7.272,1224 0.071,1225 0.026,1226 8.048,1227 2.661,1228 0.274,1229 104.147,1230 0.213,1231 29.352,1232 0.46,1233 168,1234 630.477,1235 231.782,1236 605.619,1237 804.25,1238 558,1239 200,1240 548.783,1241 274.043,1242 582.301,1243 859.57,1244 545,1245 6.387}