"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","C.","C.001","C.002","C.003","C.005","C.006","C.008","C.011","C.013","C.014","C.016","C.017","C.019","C.024","C.025","C.026","C.027","C.028","C.033","C.034","C.038","C.039","C.040","C.041","CATS2D_01_DA","CATS2D_01_LL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_DA","CATS2D_02_DL","CATS2D_02_LL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_DA","CATS2D_03_DL","CATS2D_03_LL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_LL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_DA","CATS2D_05_DL","CATS2D_05_LL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_LL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_DA","CATS2D_07_DL","CATS2D_07_LL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_DA","CATS2D_08_DL","CATS2D_08_LL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_LL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","CMC.50","CMC.80","cRo5","CSI","DBI","D.Dtr05","D.Dtr06","D.Dtr09","D.Dtr10","DECC","DELS","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.dm.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.dm.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.dm.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.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.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","HDcpx","HNar","HVcpx","Hy","Hypertens.80","Hypnotic.80","I.099","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Infective.80","Inflammat.50","Inflammat.80","ISIZ","IVDE","IVDM","JGI1","JGI10","JGI2","JGI3","JGI4","JGI5","JGI6","JGI7","JGI8","JGI9","JGT","LLS_01","LLS_02","LOC","LPRS","MATS1e","MATS1i","MATS1m","MATS1p","MATS1s","MATS1v","MATS2e","MATS2i","MATS2m","MATS2p","MATS2s","MATS2v","MATS3e","MATS3i","MATS3m","MATS3p","MATS3s","MATS3v","MATS4e","MATS4i","MATS4m","MATS4p","MATS4s","MATS4v","MATS5e","MATS5i","MATS5m","MATS5p","MATS5s","MATS5v","MATS6e","MATS6i","MATS6m","MATS6p","MATS6s","MATS6v","MATS7e","MATS7i","MATS7m","MATS7p","MATS7s","MATS7v","MATS8e","MATS8i","MATS8m","MATS8p","MATS8s","MATS8v","MAXDN","MAXDP","MCD","MDDD","Me","Mi","MLOGP","MLOGP2","Mp","MPC01","MPC02","MPC03","MPC04","MPC05","MPC06","MPC07","MPC08","MPC09","MPC10","MSD","Mv","MW","MWC01","MWC02","MWC03","MWC04","MWC05","MWC06","MWC07","MWC08","MWC09","MWC10","N.","N.067","N.068","N.072","N.073","N.074","N.075","NaaaC","NaaCH","NaaN","NaaO","NaasC","NaasN","nAB","nArCO","nArNHR","nArOH","nArOR","nArX","nAT","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCIC","nCIR","nCL","nCONN","nCp","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nDB","NdO","NdsCH","NdsN","NdssC","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nI","nN","nN.CO.2","NNRS","nO","nPyridines","nPyrroles","nPyrrolidines","nR05","nR06","nR09","nR10","nRCN","nRCNO","nRCONHR","nRCONR2","nR.Cs","nR.Ct","nRNHR","nRNR2","nROCON","nROH","nROR","NRS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsOH","NssCH2","NssNH","NssO","NsssCH","NsssN","NssssC","nTB","NtN","NtsC","nX","O.","O.057","O.058","O.059","O.060","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","Psi_i_t","Psychotic.80","P_VSA_e_1","P_VSA_e_2","P_VSA_e_3","P_VSA_e_4","P_VSA_e_5","P_VSA_e_6","P_VSA_i_1","P_VSA_i_2","P_VSA_i_3","P_VSA_i_4","P_VSA_LogP_1","P_VSA_LogP_2","P_VSA_LogP_3","P_VSA_LogP_4","P_VSA_LogP_5","P_VSA_LogP_6","P_VSA_LogP_7","P_VSA_LogP_8","P_VSA_m_1","P_VSA_m_2","P_VSA_m_3","P_VSA_m_4","P_VSA_m_5","P_VSA_MR_1","P_VSA_MR_2","P_VSA_MR_3","P_VSA_MR_4","P_VSA_MR_5","P_VSA_MR_6","P_VSA_MR_7","P_VSA_MR_8","P_VSA_p_1","P_VSA_p_2","P_VSA_p_3","P_VSA_p_4","P_VSA_s_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","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaO","SaasC","SaasN","SAdon","SAtot","SCBO","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","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsBr","SsCH3","SsCl","SsF","SsI","SsOH","SssCH2","SssNH","SssO","SsssCH","SsssN","SssssC","StN","StsC","Sv","TIC0","TIC1","TIC2","TIC3","TIC4","TIC5","TIE","TPC","TPSA.NO.","TPSA.Tot.","TRS","TWC","Uc","Ui","Uindex","UNIP","VAR","Vindex","VvdwMG","VvdwZAZ","Vx","Wap","X.","X0","X0A","X0Av","X0sol","X0v","X1","X1A","X1Av","X1Kup","X1Mad","X1MulPer","X1Per","X1sol","X1v","X2","X2A","X2Av","X2sol","X2v","X3","X3A","X3Av","X3sol","X3v","X4","X4A","X4Av","X4sol","X4v","X5","X5A","X5Av","X5sol","X5v","Xindex","XMOD","Xt","Xu","Yindex","ZM1","ZM1Kup","ZM1Mad","ZM1MulPer","ZM1Per","ZM1V","ZM2","ZM2Kup","ZM2Mad","ZM2MulPer","ZM2Per","ZM2V","pXC50"
{1 1.858,2 14.281,3 4.935,4 24.357,5 107.165,6 8.682,7 0.353,8 4.08,9 4.174,10 3.738,11 3.526,12 5.373,13 3.568,14 4.623,15 4.76,16 4.209,17 3.9,18 6.329,19 3.933,20 4.805,21 4.958,22 4.144,23 4.049,24 6.078,25 4.046,26 4.978,27 5.18,28 4.07,29 4.013,30 6.353,31 3.991,32 4.816,33 5.014,34 4.011,35 3.897,36 6.194,37 3.889,38 4.771,39 4.983,40 3.939,41 3.756,42 6.225,43 3.755,44 4.552,45 4.735,46 3.756,47 3.617,48 5.827,49 3.635,50 4.586,51 4.779,52 3.771,53 3.615,54 5.933,55 3.638,56 0.353,57 0.934,58 7.977,59 4.789,60 45.65,61 4.991,62 1.445,63 1.687,64 18.682,65 7.614,66 177.235,67 8.698,68 0.906,69 1.484,70 20.99,71 9.257,72 93.246,73 10.71,74 1.624,75 1.587,76 33.203,77 10.414,78 202.052,79 12.613,80 1.216,81 1.571,82 26.864,83 9.7,84 164.637,85 11.221,86 1.434,87 1.277,88 27.905,89 8.399,90 196.159,91 10.549,92 0.891,93 1.019,94 19.67,95 6.34,96 95.592,97 7.417,98 1.082,99 1.149,100 22.943,101 7.158,102 111.644,103 8.072,104 70,105 50,106 0.311,107 0.645,108 0.728,109 0.76,110 0.773,111 0.798,112 3.501,113 0.831,114 -2.97,115 -2.97,116 -2.87,118 40.4,119 2,123 2,125 1,127 1,131 8,132 2,133 2,138 1,140 1,141 1,142 1,143 9,144 2,145 4,146 2,147 2,148 13,149 2,150 8,151 1,153 12,154 2,155 4,156 2,159 8,160 2,161 4,162 1,164 4,165 2,166 10,167 3,168 1,169 2,172 9,174 4,177 6,179 3,181 1,182 7,185 3,186 4,187 1836,188 20.444,189 20.444,190 20.444,191 20.444,192 20.444,193 18.39,194 20.045,195 11.606,196 21.197,197 16.68,198 16.68,199 16.68,200 16.68,201 16.68,202 13.707,203 21.287,204 5.44,205 17.964,206 3.842,207 1.846,208 1.351,209 1.159,210 1.082,211 0.928,212 4.174,215 1,216 1,217 951,218 4.528,219 112.011,220 249.749,223 2.469,224 57.33,226 1,227 0.83,228 1,229 1,230 0.5,231 1,232 0.9,233 75,234 457,235 4.596,236 4.437,237 7.416,238 4.468,239 3.494,240 3.926,241 4.032,242 12.892,243 3.396,244 4.286,245 4.198,246 6.455,247 3.929,248 3.14,249 3.764,250 2.226,251 10.196,252 2.874,253 4.147,254 3.777,255 6.147,256 3.835,257 2.878,258 3.479,259 2.033,260 9.073,261 2.485,262 3.882,263 3.396,264 6.016,265 3.566,266 2.616,267 3.153,268 1.597,269 8.426,270 2.436,271 3.786,272 2.992,273 5.382,274 3.403,275 2.456,276 3.042,277 1.09,278 7.039,279 2.273,280 3.558,281 2.857,282 5.223,283 3.208,284 2.259,285 2.826,286 0.656,287 6.592,288 2.128,289 3.509,290 2.735,291 5.168,292 3.115,293 2.158,294 2.651,295 0.394,296 6.356,297 2.009,298 3.003,299 2.595,300 4.94,301 2.629,302 1.62,303 2.053,304 0.34,305 4.768,306 1.611,307 2.891,308 2.48,309 4.338,310 2.431,311 1.463,312 2.001,314 4.109,315 1.407,316 2.5,317 1.76,318 3.445,319 2,320 1,321 1.5,322 2.275,323 1,324 2.5,325 1.579,326 3.414,327 2,328 1,329 1.5,330 2.275,331 1,332 1.971,333 1.11,334 3.414,335 1.675,336 0.766,337 0.864,338 1.763,339 0.687,340 1.954,341 1,342 3.176,343 1.589,344 0.578,345 0.693,346 1.181,347 0.577,348 1.359,349 1,350 3.094,351 1.083,352 0.128,353 0.148,354 0.284,355 0.119,356 1.172,357 0.576,358 2.893,359 0.913,360 -0.019,361 -0.022,362 -0.041,363 -0.018,364 14.224,365 0.444,366 1.191,367 0.037,368 38.5,369 1.203,370 17.5,371 0.547,372 21,373 0.656,374 27.216,375 0.85,376 36.776,377 0.707,378 35.212,379 1.1,380 8.178,381 0.256,382 6.804,383 0.213,384 0.201,385 0.07,386 0.274,388 3,389 0.671,390 1.066,391 0.645,392 1.145,393 0.633,394 0.961,395 0.374,396 0.64,397 0.609,398 0.872,399 0.332,400 0.865,401 0.692,402 0.805,403 0.961,404 1.206,405 0.582,406 1.212,407 0.911,408 0.722,409 1.047,410 0.867,411 0.885,412 0.987,413 0.963,414 1.054,415 0.996,416 1.114,417 1.038,418 1.092,419 0.823,420 0.851,421 0.911,422 0.929,423 0.832,424 0.948,425 1.005,426 0.785,427 1.054,428 1.02,429 0.718,430 1.037,431 1.166,432 0.852,433 0.966,434 0.806,435 0.886,436 0.808,437 10,438 0.206,439 4.444,440 2.861,441 1.564,442 1.202,443 0.758,444 0.462,445 0.465,446 0.261,447 15331,448 63040,449 1.944,450 38.5,452 12,455 2,457 6,458 1.738,459 1.761,460 3.736,461 0.301,465 96.626,466 1.858,467 3.855,468 4.349,469 4.542,470 4.618,471 4.772,472 3.243,473 4.328,474 4.972,475 4.017,476 1992.59,477 8.655,478 31348.7,480 1,483 296.423,484 1.772,485 4.881,486 0.294,487 0.009,488 0.089,489 0.06,490 0.037,491 0.03,492 0.021,493 0.015,494 0.015,495 0.008,496 0.577,497 0.33,498 1,499 1.063,500 172.891,501 -0.041,502 -0.088,503 0.017,504 -0.045,505 -0.085,506 -0.003,507 0.482,508 0.405,509 0.218,510 0.16,511 0.414,512 0.081,513 -0.057,514 -0.043,515 -0.171,516 -0.208,517 -0.036,518 -0.232,519 -0.079,520 -0.031,521 -0.07,522 0.067,523 -0.043,524 0.017,525 -0.082,526 -0.112,527 -0.03,528 -0.109,529 -0.099,530 -0.068,531 0.082,532 -0.033,533 0.11,534 0.012,535 0.051,536 0.064,537 -0.202,538 -0.089,539 -0.133,540 -0.1,541 -0.085,542 -0.076,543 -0.216,544 -0.101,545 0.043,546 0.148,547 -0.075,548 0.195,549 6.001,550 5.226,551 0.531,552 38.211,553 1.045,554 1.148,555 1.74,556 3.027,557 0.648,558 3.555,559 3.932,560 4.094,561 4.304,562 4.454,563 4.419,564 4.511,565 4.575,566 4.575,567 4.635,568 8.65,569 0.655,570 451.44,571 3.555,572 5.13,573 5.958,574 6.853,575 7.7,576 8.594,577 9.45,578 10.342,579 11.204,580 12.095,581 5.8,584 2,586 1,589 8,592 4,594 12,598 2,600 52,601 15,602 2,603 34,605 54,606 21,607 12,608 4,609 8,611 3,612 3,614 1,615 2,617 1,621 15,622 6,623 1,624 3,625 2,627 1,628 3,631 3,633 20,634 11,635 2,636 11,639 3,640 1,641 1,642 5,646 1,647 2,651 1,659 1,661 3,663 2,665 3,667 32,668 1,669 2,670 1,671 2,673 1,674 2,678 3,679 9.6,681 2,683 3,684 18.167,685 9.862,686 6.833,687 2.8,688 2.388,689 1.319,690 0.915,691 6.89,692 9.879,693 3.784,694 4.344,695 4.766,696 5.224,697 5.712,698 5.861,699 6.218,700 6.542,701 6.834,702 7.114,703 1,704 48,705 12.411,706 5.813,707 8.49,708 21.126,709 16.893,710 2.99,711 95.667,713 1,714 211.88,715 138.571,716 34.383,718 115.095,719 44.88,721 138.571,722 326.975,723 79.263,724 17.65,725 27.833,726 75.81,727 57.751,728 139.791,729 4.276,730 211.88,731 9.817,732 211.88,733 172.954,734 159.976,737 141.253,738 185.722,739 44.88,740 9.817,741 58.731,742 104.405,745 256.76,746 149.478,747 138.571,749 221.697,750 35.293,751 96.585,752 18.011,753 173.223,754 211.88,755 194.358,756 138.571,758 0.6,759 0.325,760 0.162,761 0.087,762 23,763 12,764 0.13,765 7,767 1,768 4.264,769 273.4,771 17,772 145.245,773 23.735,774 9.289,775 6.08,777 194.358,778 12.07,781 1.508,783 60.816,784 544.809,785 43,786 24.167,788 3.108,789 -0.965,790 54.316,791 59.713,792 0.326,793 0.676,794 0.763,795 0.797,796 0.81,797 0.837,798 5.069,799 1.62,800 6.028,801 6.356,802 4.615,803 5.03,804 3.871,805 6.895,806 4.491,807 6.309,808 1.463,809 7.641,810 4.768,811 4.575,812 4.977,813 4.19,814 8.191,815 4.331,816 7.646,817 1,818 9.363,819 4.109,820 6.358,821 7.135,822 5.873,823 11.144,824 6.106,825 9.011,826 1,827 11.15,828 2.275,829 7.048,830 7.757,831 7.006,832 13.198,833 6.703,834 10.401,835 0.766,836 12.979,837 2.275,838 8.422,839 9.492,840 8.438,841 15.817,842 8.063,843 11.81,844 0.578,845 14.838,846 1.763,847 9.41,848 10.419,849 9.775,850 18.164,851 8.993,852 13.232,853 0.128,854 16.72,855 1.181,856 10.658,857 11.977,858 11.173,859 20.709,860 10.224,861 3.494,862 -0.019,863 18.62,864 0.284,865 11.774,866 13.067,867 12.554,868 23.173,869 11.306,870 3.14,871 12.892,872 20.536,873 -0.041,874 12.989,875 14.535,876 13.948,877 25.708,878 12.505,879 2.878,880 10.196,881 22.465,882 3.926,883 14.163,884 15.722,885 15.339,886 28.221,887 13.656,888 2.616,889 9.073,890 24.405,891 3.764,892 15.375,893 17.14,894 16.733,895 30.76,896 14.852,897 2.456,898 8.426,899 26.354,900 3.479,901 16.576,902 18.386,903 18.127,904 33.295,905 16.035,906 2.259,907 7.039,908 28.312,909 3.153,910 17.793,911 19.776,912 19.521,913 35.84,914 17.237,915 2.158,916 6.592,917 30.277,918 3.042,919 19.01,920 21.06,921 20.915,922 38.384,923 18.436,924 15115,925 30921,926 21.266,927 33.716,928 52.473,929 54.611,930 52.904,931 51.426,932 51.115,933 63.202,934 24.739,935 154.457,936 48.003,937 5.566,938 6.437,939 6.967,940 5.545,941 5.494,942 6.926,943 6.005,944 20.593,945 5.396,946 22.152,947 1.543,948 1.606,949 1.556,950 1.513,951 1.503,952 1.859,953 0.728,954 4.543,955 1.412,956 4.013,957 4.034,958 3.963,959 3.952,960 8.516,961 3.95,962 3.909,963 3.95,964 3.86,965 3.708,966 7.999,967 3.736,968 3.774,969 3.793,970 3.722,971 3.673,972 7.999,973 3.678,974 3.583,975 3.633,976 3.506,977 3.4,978 7.447,979 3.413,980 3.399,981 3.427,982 3.423,983 3.003,984 7.409,985 3.08,986 3.232,987 3.292,988 3.103,989 2.939,990 6.543,991 2.986,992 2.99,993 3.02,994 2.931,995 2.753,996 4.9,997 2.802,998 2.874,999 3.009,1000 2.817,1001 2.735,1002 4.743,1003 2.715,1004 0.135,1005 0.13,1006 0.218,1007 0.131,1008 0.103,1009 4.596,1010 0.115,1011 4.437,1012 0.119,1013 7.416,1014 0.379,1015 4.468,1016 0.1,1017 3.494,1018 3.926,1019 4.032,1020 12.892,1021 3.396,1022 1.981,1023 1.963,1024 2.072,1025 2.055,1026 1.185,1027 2.06,1028 1.749,1029 1.727,1030 1.894,1031 1.903,1032 1.088,1033 1.891,1034 1.683,1035 1.636,1036 1.868,1037 1.863,1038 1.001,1039 1.866,1040 1.587,1041 1.533,1042 1.756,1043 1.811,1044 0.92,1045 1.794,1046 1.218,1047 1.185,1048 1.417,1049 1.555,1050 0.539,1051 1.487,1052 1.061,1053 1.05,1054 1.377,1055 1.51,1056 0.469,1057 1.373,1058 0.934,1059 0.826,1060 1.181,1061 1.239,1062 0.218,1063 1.308,1064 0.886,1065 0.821,1066 1.181,1067 1.188,1068 0.218,1069 1.167,1070 4.234,1071 5.595,1072 2.398,1073 7.122,1074 4.949,1075 8.719,1076 7.168,1077 10.353,1079 3.135,1081 36.752,1083 9.21,1084 -0.397,1085 2.529,1086 9.399,1088 0.938,1089 -5.787,1092 34.056,1093 96.626,1094 200.449,1095 226.158,1096 236.158,1097 240.158,1098 248.158,1099 101.002,1100 7.491,1101 100.46,1102 100.46,1103 17,1104 12.629,1105 4,1106 3.322,1107 61.781,1108 169,1109 146,1110 0.177,1111 207.642,1112 384.38,1113 498.405,1114 19558,1115 5.8,1116 23.518,1117 0.735,1118 0.536,1119 21.018,1120 17.142,1121 14.981,1122 0.441,1123 0.277,1124 9.178,1125 13.998,1126 8.971,1127 7.419,1128 13.835,1129 9.413,1130 15.036,1131 0.301,1132 0.15,1133 12.68,1134 7.498,1135 10.97,1136 0.186,1137 0.078,1138 10.647,1139 4.607,1140 8.699,1141 0.119,1142 0.041,1143 8.037,1144 3.009,1145 6.634,1146 0.078,1147 0.023,1148 6.139,1149 1.914,1150 0.29,1151 97.146,1152 0.217,1153 30.688,1154 0.453,1155 168,1156 787.048,1157 207.148,1158 661.941,1159 849.43,1160 608,1161 193,1162 591.998,1163 222.124,1164 572.807,1165 850.47,1166 531,1167 5}
{0 CHEMBL232201,1 1.58,2 7.864,3 5.239,4 27.449,5 101.453,6 15.238,7 0.667,8 3.636,9 3.7,10 3.839,11 3.442,12 4.831,13 3.336,14 4.112,15 4.21,16 4.365,17 3.871,18 5.279,19 3.728,20 4.348,21 4.47,22 4.707,23 4.007,24 5.611,25 3.84,26 4.342,27 4.448,28 5.258,29 4.089,30 5.645,31 3.809,32 4.248,33 4.367,34 4.421,35 3.831,36 5.548,37 3.679,38 4.283,39 4.43,40 4.262,41 3.84,42 5.553,43 3.637,44 4.271,45 4.481,46 4.706,47 3.896,48 5.255,49 3.578,50 4.018,51 4.244,52 4.409,53 3.745,54 5.055,55 3.286,56 0.041,57 0.339,58 9.944,59 2.214,60 8.394,61 2.943,62 0.055,63 0.585,64 23.775,65 4.526,66 12.297,67 5.733,68 0.15,69 0.813,70 54.825,71 10.253,72 23.44,73 8.024,74 0.347,75 0.8,76 132.58,77 13.219,78 45.726,79 7.445,80 0.139,81 0.721,82 43.124,83 8.636,84 29.91,85 6.725,86 0.302,87 0.75,88 27.943,89 6.543,90 57.185,91 7.023,92 0.145,93 0.835,94 49.813,95 10.25,96 28.361,97 9.734,98 0.195,99 0.714,100 110.001,101 13.458,102 26.164,103 10.104,104 27,105 35,106 0.288,107 0.666,108 0.764,109 0.837,110 0.847,111 0.847,112 3.148,113 1.114,114 -5.49,115 -5.37,116 -5.01,118 50,119 1,120 1,131 6,132 3,133 3,137 2,139 1,143 8,145 6,148 10,150 6,152 4,153 11,154 1,155 4,158 1,159 11,161 7,164 13,166 1,167 1,169 1,170 11,172 2,174 1,175 6,178 1,179 2,180 6,185 3,186 2,187 590,188 14.646,189 14.646,190 14.646,191 14.646,192 14.646,193 12.578,194 8.054,195 8.331,196 15.022,197 11.718,198 11.718,199 11.718,200 11.718,201 11.718,202 8.526,203 4.336,204 3.821,205 12.528,206 3.508,207 1.43,208 0.89,209 0.493,210 0.434,211 0.434,212 3.821,217 367,218 2.828,219 44.367,220 121.375,221 84.858,223 1.083,224 24.281,226 0.5,227 0.83,228 0.83,229 0.3,230 0.5,231 0.83,232 0.69,233 45.8,234 173,235 4.703,236 3.671,237 6.972,238 4.3,239 3.295,240 4.624,242 11.815,243 3.312,244 4.377,245 3.289,246 6.343,247 3.891,248 2.981,249 4.089,251 9.465,252 2.747,253 3.907,254 2.998,255 5.971,256 3.493,257 2.517,258 3.357,260 8.198,261 2.305,262 3.504,263 2.461,264 5.464,265 3.131,266 2.135,267 2.861,269 6.68,270 2.097,271 3.232,272 2.333,273 4.895,274 2.704,275 1.879,276 2.481,278 5.225,279 1.696,280 3.154,281 1.905,282 4.879,283 2.639,284 1.707,285 2.445,287 5.222,288 1.392,289 2.856,290 1.658,291 4.164,292 2.392,293 1.392,294 2.018,296 3.202,297 1.187,298 2.685,299 1.42,300 3.62,301 2.191,302 1.169,303 1.675,305 2.936,306 1.135,307 1.96,308 1.273,309 3.367,310 1.474,311 0.512,312 0.667,314 1.235,315 0.447,316 1.572,317 0.778,318 2.874,319 1.373,320 0.374,321 0.444,322 0.644,323 0.372,324 1.533,325 0.412,326 2.726,327 1.038,328 0.253,329 0.318,330 0.514,331 0.089,332 1,333 0.093,334 2.653,335 0.403,336 -0.347,337 -0.445,338 -0.898,339 -0.084,340 0.734,341 -0.293,342 2.221,343 0.32,344 -0.694,345 -0.905,346 -1.579,347 -0.401,348 0.624,349 -0.541,350 2.079,351 0.135,352 -0.874,353 -1.216,354 -2.213,355 -0.708,356 0.313,357 -0.785,358 2,359 -0.14,360 -1,361 -1.326,362 -2.497,363 -0.882,364 12.786,365 0.581,366 0.648,367 0.029,368 29,369 1.318,370 16,371 0.727,372 13,373 0.591,374 21.697,375 0.986,376 20.814,377 0.612,378 16.533,379 0.751,380 5.093,381 0.231,382 5.431,383 0.247,384 0.348,386 0.352,389 0.784,390 0.759,391 0.466,392 0.481,393 0.737,394 0.622,395 0.72,396 0.865,397 0.562,398 0.571,399 0.609,400 0.68,401 1.118,402 0.963,403 0.911,404 0.947,405 0.861,406 0.83,407 1.457,408 0.898,409 0.745,410 0.743,411 1.429,412 0.881,413 1.13,414 1.136,415 0.779,416 0.916,417 1.355,418 1.035,419 1.037,420 0.957,421 0.5,422 0.55,423 1.14,424 0.937,425 0.591,426 0.977,427 0.9,428 0.902,429 0.6,430 0.933,431 0.34,432 1.072,433 1.889,434 1.702,435 0.423,436 1.281,437 4.5,438 0.012,439 3.111,440 2.417,441 1.792,442 0.65,443 0.503,444 0.473,445 0.2,446 0.061,447 4269,448 15673,449 2.017,450 35.3,451 3,452 6,455 1,456 2,458 1.652,459 1.833,460 2.971,461 -0.31,464 2,465 53.712,466 1.58,467 3.657,468 4.197,469 4.595,470 4.653,471 4.653,472 2.379,473 4.005,474 4.434,475 3.074,476 710.156,477 7.65,478 7558.03,483 172.974,484 1.544,485 4.36,486 0.188,487 0.012,488 0.089,489 0.064,490 0.053,491 0.022,492 0.019,493 0.022,494 0.013,495 0.01,496 0.491,497 0.67,498 0.75,499 0.891,500 98.564,501 -0.065,502 0.052,503 -0.002,504 0.016,505 -0.108,506 0.034,507 0.014,508 -0.009,509 0.011,510 0.036,512 0.079,513 -0.046,514 -0.02,515 -0.024,516 -0.056,517 0.057,518 0.066,519 -0.111,520 0.057,521 0.165,522 0.174,523 -0.128,524 -0.014,525 -0.103,526 -0.217,527 -0.031,528 -0.143,529 -0.053,530 -0.187,531 -0.028,532 -0.035,533 0.017,534 0.056,535 -0.008,536 -0.1,537 0.055,538 0.025,539 0.048,540 0.071,541 0.001,542 0.158,543 0.297,544 0.032,545 -0.166,546 -0.089,547 0.192,548 0.066,549 1.738,550 5.969,551 0.682,552 13.967,553 1.009,554 1.088,555 4.262,556 18.161,557 0.853,558 3.219,559 3.584,560 3.912,561 4.19,562 4.407,563 4.454,564 4.511,565 4.575,566 4.522,567 4.454,568 4.817,569 0.749,570 518.09,571 3.219,572 4.779,573 5.659,574 6.564,575 7.465,576 8.374,577 9.281,578 10.193,579 11.102,580 12.016,588 2,589 6,591 1,592 6,594 16,595 1,597 1,599 2,600 34,601 17,602 2,603 24,605 36,606 17,607 14,608 6,609 6,610 1,611 3,612 4,615 1,619 1,621 15,622 2,624 1,625 1,628 1,632 1,633 12,634 3,635 1,636 5,637 2,638 2,641 0.667,642 3,646 1,647 2,648 1,661 2,663 1,666 2,667 22,668 1,669 1,678 2,679 8.8,680 1,681 1,683 1,684 12,685 6.569,686 4.861,687 2.142,688 3.15,689 1.458,690 1.008,691 4.675,692 10.028,693 3.526,694 4.216,695 4.893,696 5.528,697 6.068,698 6.374,699 6.726,700 7.093,701 7.251,702 7.547,703 1,704 38,705 8.162,706 3.517,707 7.829,708 15.432,709 12.697,710 2.329,711 51.24,714 129.482,715 209.463,718 77.336,720 113.564,721 95.899,722 206.818,724 8.825,725 2.535,726 56.857,727 72.962,728 21.771,729 10.285,730 243.046,732 129.482,733 95.899,734 77.336,736 113.564,737 129.482,738 77.336,741 11.36,742 84.539,744 113.564,745 129.482,746 77.336,747 95.899,748 113.564,749 129.482,750 30.216,751 179.247,753 77.336,754 129.482,755 77.336,756 95.899,757 113.564,758 0.592,759 0.371,760 0.201,761 0.111,762 18,763 9,764 0.083,765 3,766 1,767 1.133,768 3.244,769 180.181,770 0.133,771 15,772 92.107,773 16.104,774 6.387,775 2.899,776 1.563,777 77.336,778 10.991,780 5.801,781 3.426,783 42.683,784 416.281,785 33,786 12.969,789 -0.072,790 34.305,791 36.976,792 0.311,793 0.719,794 0.825,795 0.903,796 0.915,797 0.915,798 4.771,799 1.169,800 5.68,801 3.202,802 4.263,803 4.902,805 6.561,806 4.156,807 6.028,808 0.512,809 7.292,810 2.936,811 4.007,812 4.902,814 7.597,815 3.789,816 7.375,817 0.374,818 9.005,819 1.235,820 5.927,821 7.236,823 10.743,824 5.785,825 8.762,826 0.253,827 10.773,828 0.644,829 6.479,830 8.051,832 12.597,833 6.273,834 10.181,835 -0.347,836 12.577,837 0.514,838 7.907,839 9.885,841 15.282,842 7.748,843 11.622,844 -0.694,845 14.405,846 -0.898,847 8.811,848 11.074,850 17.482,851 8.627,852 13.082,853 -0.874,854 16.25,855 -1.579,856 10.066,857 12.713,859 20.012,860 9.907,861 3.295,862 -1,863 18.11,864 -2.213,865 11.122,866 14.077,868 22.361,869 10.962,870 2.981,871 11.815,872 19.981,873 -2.497,874 12.316,875 15.638,877 24.841,878 12.174,879 2.517,880 9.465,881 21.861,882 4.624,883 13.437,884 17.083,886 27.254,887 13.304,888 2.135,889 8.198,890 23.749,891 4.089,892 14.613,893 18.614,895 29.719,896 14.496,897 1.879,898 6.68,899 25.643,900 3.357,901 15.764,902 20.097,904 32.161,905 15.66,906 1.707,907 5.225,908 27.543,909 2.861,910 16.936,911 21.618,913 34.624,914 16.848,915 1.392,916 5.222,917 29.448,918 2.481,919 18.1,920 23.12,922 37.079,923 18.027,924 4262,925 8300,926 15.433,927 29.012,928 36.714,929 38.421,930 38.852,931 36.901,932 36.43,933 49.959,935 110.271,936 33.558,937 5.488,938 5.671,939 6.653,940 5.3,941 5.295,942 7.624,944 19.253,945 5.312,946 12.55,947 1.53,948 1.601,949 1.619,950 1.538,951 1.518,952 2.082,954 4.595,955 1.398,956 4.131,957 4.132,958 10.699,959 4.136,960 7.427,961 4.06,962 3.887,963 3.893,964 10.692,965 4.002,966 6.468,967 3.865,968 3.544,969 3.598,970 4.099,971 3.646,972 5.1,973 3.428,974 3.289,975 3.319,976 3.726,977 3.457,978 4.53,979 3.146,980 3.064,981 3.074,982 3.414,983 3.258,984 4.401,985 2.92,986 2.876,987 2.923,988 3.139,989 2.982,990 3.942,991 2.892,992 2.863,993 2.89,994 2.933,995 2.779,996 3.743,997 2.751,998 2.606,999 2.614,1000 2.752,1001 2.54,1002 3.671,1003 2.34,1004 0.196,1005 0.153,1006 0.291,1007 0.179,1008 0.137,1009 4.703,1010 0.193,1011 3.671,1013 6.972,1014 0.492,1015 4.3,1016 0.138,1017 3.295,1018 4.624,1020 11.815,1021 3.312,1022 1.953,1023 1.942,1024 2.023,1025 2.01,1026 1.186,1027 2.017,1028 1.862,1029 1.851,1030 1.898,1031 1.924,1032 1.07,1033 1.932,1034 1.633,1035 1.602,1036 1.835,1037 1.794,1038 1.033,1039 1.816,1040 1.247,1041 1.213,1042 1.387,1043 1.429,1044 0.511,1045 1.422,1046 0.961,1047 0.937,1048 1.135,1049 1.214,1050 0.194,1051 1.182,1052 0.877,1053 0.857,1054 1.057,1055 1.045,1056 0.173,1057 1.034,1058 0.853,1059 0.833,1060 0.969,1061 0.936,1062 0.159,1063 0.976,1064 0.699,1065 0.633,1066 0.963,1067 0.894,1068 0.063,1069 0.975,1070 3.892,1071 5.242,1072 2.398,1073 6.797,1074 4.844,1075 8.444,1076 7.05,1077 10.137,1079 1.971,1082 4.065,1083 9.871,1084 0.655,1092 25.466,1093 53.712,1094 124.345,1095 142.709,1096 156.219,1097 158.219,1098 158.219,1099 42.394,1100 6.878,1101 50.44,1102 50.44,1103 17,1104 12.529,1105 4.17,1106 3.322,1107 34.211,1108 63,1109 58,1110 0.275,1111 175.399,1112 288.69,1113 419.734,1114 7592,1115 5.9,1116 15.853,1117 0.721,1118 0.728,1119 18.853,1120 16.006,1121 10.524,1122 0.439,1123 0.371,1124 6.833,1125 8.948,1126 6.526,1127 5.379,1128 12.256,1129 8.914,1130 9.594,1131 0.274,1132 0.205,1133 11.819,1134 7.192,1135 8.631,1136 0.176,1137 0.105,1138 10.916,1139 5.14,1140 6.974,1141 0.107,1142 0.065,1143 9.301,1144 4.203,1145 5.659,1146 0.07,1147 0.028,1148 6.827,1149 2.28,1150 0.411,1151 92.251,1152 0.255,1153 21.038,1154 0.819,1155 118,1156 360.918,1157 424.233,1158 430.664,1159 564.5,1160 398,1161 143,1162 357.558,1163 273.453,1164 390.786,1165 580.53,1166 369,1167 5.097}
{0 CHEMBL232402,1 1.616,2 9.552,3 5.539,4 30.677,5 116.053,6 9.05,7 0.375,8 3.953,9 4.042,10 3.679,11 3.631,12 5.14,13 3.597,14 4.474,15 4.598,16 4.096,17 4.067,18 5.605,19 4.004,20 4.809,21 4.988,22 4.219,23 4.228,24 5.939,25 4.137,26 4.807,27 4.995,28 4.228,29 4.191,30 6.062,31 4.107,32 4.782,33 4.955,34 4.326,35 4.188,36 6.017,37 4.112,38 4.773,39 4.943,40 4.3,41 4.11,42 6.173,43 4.055,44 4.692,45 4.859,46 4.161,47 3.989,48 6.076,49 3.937,50 4.637,51 4.83,52 3.935,53 3.904,54 5.94,55 3.806,56 0.06,57 0.579,58 6.497,59 3.917,60 15.392,61 4.687,62 0.118,63 0.968,64 13.04,65 7.199,66 22.884,67 9.109,68 0.263,69 1.326,70 27.572,71 11.086,72 53.321,73 13.878,74 0.392,75 1.341,76 28.883,77 11.013,78 74.443,79 13.876,80 0.338,81 1.306,82 29.019,83 10.369,84 61.955,85 12.49,86 0.534,87 1.274,88 26.92,89 9.943,90 99.459,91 11.711,92 0.506,93 1.178,94 24.618,95 8.859,96 90.536,97 9.758,98 0.523,99 1.104,100 25.859,101 9.025,102 99.423,103 10.293,104 27,105 46,106 0.273,107 0.658,108 0.766,109 0.858,110 0.865,111 0.865,112 3.409,113 0.956,114 -5.4,115 -5.28,116 -4.94,118 48.9,120 4,121 1,128 1,129 2,130 1,131 6,132 3,133 3,140 2,143 15,145 2,146 1,147 5,148 24,150 2,152 4,153 22,154 1,155 5,156 1,157 1,158 5,159 19,161 3,163 5,164 16,166 7,167 1,169 8,170 11,172 7,174 7,175 14,177 4,178 1,179 2,180 14,182 4,185 2,186 14,187 1287,188 19.524,189 19.524,190 19.524,191 19.524,192 19.524,193 17.369,194 20.027,195 11.255,196 19.843,197 15.703,198 15.703,199 15.703,200 15.703,201 15.703,202 12.284,203 19.294,204 5.235,205 16.328,206 3.938,207 1.653,208 1.011,209 0.468,210 0.426,211 0.426,212 4.1,213 2,215 1,216 1,217 597,218 2.55,219 79.213,220 274.757,223 1.429,224 36.196,226 0.75,227 1,228 1,229 0.8,230 0.5,231 1,232 0.86,233 61.667,234 277,235 4.616,236 4.118,237 6.798,238 4.212,239 3.226,240 4.233,241 2.035,242 11.195,243 3.178,244 4.363,245 3.54,246 6.476,247 3.995,248 3.01,249 4.002,250 1.058,251 10.074,252 2.968,253 4.093,254 3.229,255 6.092,256 3.719,257 2.746,258 3.6,260 8.852,261 2.672,262 3.882,263 3.183,264 5.988,265 3.59,266 2.615,267 3.148,269 8.319,270 2.514,271 3.489,272 2.896,273 5.07,274 3.023,275 2.125,276 2.767,278 5.868,279 1.942,280 3.448,281 2.774,282 5.044,283 2.968,284 1.996,285 2.616,287 5.78,288 1.882,289 3.247,290 2.45,291 4.862,292 2.73,293 1.819,294 2.344,296 5.19,297 1.704,298 3.149,299 2.19,300 4.469,301 2.723,302 1.741,303 2.006,305 4.492,306 1.515,307 2.944,308 1.818,309 4.122,310 2.256,311 1.271,312 1.855,314 3.336,315 1.237,316 2.635,317 1.552,318 3.971,319 2.118,320 1.121,321 1.644,322 3.061,323 1.116,324 2.572,325 1.193,326 3.389,327 1.885,328 0.892,329 1.154,330 2.078,331 0.884,332 1.983,333 0.971,334 3.296,335 1.682,336 0.711,337 0.951,338 1.468,339 0.683,340 1.618,341 0.907,342 3,343 1.618,344 0.618,345 0.618,346 1.372,347 0.618,348 1.52,349 0.801,350 2.774,351 0.899,352 0.112,353 0.137,354 0.236,355 0.069,356 1.33,357 0.618,358 2.648,359 0.884,360 -0.043,361 -0.054,362 -0.094,363 -0.04,364 14.395,365 0.496,366 0.784,367 0.027,368 37.75,369 1.302,370 20,371 0.69,372 17.75,373 0.612,374 26.347,375 0.909,376 29.405,377 0.626,378 29.436,379 1.015,380 6.938,381 0.239,382 7.036,383 0.243,384 0.173,386 0.382,389 0.678,390 0.927,391 0.55,392 0.739,393 0.593,394 0.75,395 0.494,396 1.054,397 0.61,398 0.91,399 0.438,400 0.922,401 0.809,402 1.049,403 0.841,404 0.983,405 0.681,406 0.969,407 0.777,408 0.94,409 0.807,410 0.895,411 0.723,412 0.883,413 0.929,414 1.068,415 0.725,416 0.905,417 0.99,418 0.908,419 0.976,420 1.071,421 0.773,422 0.95,423 1.046,424 0.89,425 1.353,426 1.083,427 0.872,428 0.983,429 1.379,430 0.962,431 1.328,432 0.886,433 0.989,434 0.921,435 1.333,436 0.994,437 6,438 0.103,439 4,440 2.028,441 2.041,442 1.493,443 0.846,444 0.565,445 0.357,446 0.233,447 9687,448 29848,449 2.07,450 38.3,451 9,452 7,455 2,458 1.727,459 1.912,460 3.262,461 0.194,465 75.965,466 1.616,467 3.902,468 4.544,469 5.087,470 5.129,471 5.129,472 2.672,473 4.444,474 4.831,475 3.406,476 1382.65,477 8.454,478 18065.7,483 261.066,484 1.487,485 4.777,486 0.188,487 0.006,488 0.087,489 0.041,490 0.042,491 0.03,492 0.018,493 0.014,494 0.011,495 0.009,496 0.445,497 0.33,498 1,499 0.772,500 144.256,501 -0.07,502 0.094,503 -0.005,504 0.09,505 -0.017,506 0.069,507 0.08,508 -0.069,509 0.031,510 -0.03,511 0.085,512 -0.031,513 -0.023,514 -0.089,515 0.015,516 -0.021,517 0.042,518 0.013,519 0.093,520 0.045,521 0.073,522 0.071,523 0.123,524 0.101,525 0.003,526 -0.072,527 0.148,528 0.043,529 -0.037,530 0.044,531 0.178,532 -0.059,533 0.129,534 -0.003,535 0.164,536 0.046,537 -0.035,538 -0.05,539 0.016,540 -0.049,541 -0.024,542 -0.054,543 -0.087,544 0.11,545 -0.047,546 0.057,547 -0.054,548 -0.024,549 2.207,550 5.651,551 0.793,552 23.883,553 1.01,554 1.107,555 4.171,556 17.394,557 0.734,558 3.497,559 3.85,560 4.159,561 4.443,562 4.682,563 4.804,564 4.927,565 5.043,566 5.124,567 5.147,568 5.952,569 0.699,570 425.33,571 3.497,572 5.056,573 5.927,574 6.823,575 7.713,576 8.614,577 9.51,578 10.413,579 11.312,580 12.217,581 4.3,584 1,586 1,589 6,592 6,594 12,597 1,599 2,600 47,601 16,602 2,603 32,605 50,606 23,607 12,608 6,609 6,610 5,611 4,612 4,613 2,616 4,617 1,619 4,620 1,621 17,622 5,623 1,624 3,625 1,626 1,628 4,633 18,634 4,635 2,636 6,637 2,639 2,641 1,642 2,646 1,647 3,650 1,652 1,654 2,655 2,661 4,664 2,667 29,668 1,669 4,670 1,672 1,675 1,676 1,677 1,678 2,679 4.3,680 1,681 1,684 15.167,685 8.519,686 6.361,687 2.998,688 2.877,689 1.377,690 0.984,691 5.581,692 10.499,693 3.784,694 4.369,695 4.973,696 5.556,697 6.115,698 6.427,699 6.804,700 7.169,701 7.514,702 7.753,703 1,704 49,705 10.757,706 4.768,707 7.921,708 20.273,709 17.263,710 2.421,711 70.222,714 188.338,715 123.464,716 49.07,717 78.297,718 67.828,721 123.464,722 334.463,723 49.07,725 28.149,726 66.334,727 91.891,728 53.988,730 188.338,731 78.297,732 188.338,733 172.534,734 67.828,735 78.297,737 188.338,738 67.828,741 59.208,742 101.093,743 90.53,745 188.338,746 116.898,747 201.761,749 188.338,750 40.529,751 66.334,752 34.612,753 177.185,754 188.338,755 116.898,756 201.761,758 0.588,759 0.357,760 0.197,761 0.107,762 23,763 11,764 0.06,765 3,767 1,768 3.87,769 269.189,771 23,772 136.881,773 19.882,774 8.14,775 3.877,777 116.898,778 10.408,781 3.051,783 60.694,784 506.997,785 43,786 12.651,787 1.672,789 0.216,790 47.458,791 52.04,792 0.291,793 0.702,794 0.818,795 0.916,796 0.923,797 0.923,798 5.056,799 1.741,800 5.932,801 5.19,802 4.533,803 5.056,804 2.444,805 6.783,806 4.463,807 6.287,808 1.271,809 7.52,810 4.492,811 4.205,812 4.913,814 7.758,815 4.069,816 7.614,817 1.121,818 9.207,819 3.336,820 6.168,821 7.251,822 3.632,823 10.879,824 6.061,825 8.975,826 0.892,827 10.951,828 3.061,829 6.648,830 7.902,832 12.662,833 6.5,834 10.364,835 0.711,836 12.732,837 2.078,838 8.09,839 9.731,840 4.982,841 15.305,842 7.957,843 11.775,844 0.618,845 14.537,846 1.468,847 8.929,848 10.753,850 17.424,851 8.77,852 13.203,853 0.112,854 16.359,855 1.372,856 10.176,857 12.367,858 6.383,859 19.899,860 10.02,861 3.226,862 -0.043,863 18.195,864 0.236,865 11.179,866 13.578,868 22.165,869 11.004,870 3.01,871 11.195,872 20.041,873 -0.094,874 12.353,875 15.091,876 7.798,877 24.581,878 12.173,879 2.746,880 10.074,881 21.896,882 4.233,883 13.43,884 16.401,886 26.913,887 13.234,888 2.615,889 8.852,890 23.757,891 4.002,892 14.579,893 17.866,894 9.218,895 29.31,896 14.375,897 2.125,898 8.319,899 25.623,900 3.6,901 15.691,902 19.227,904 31.675,905 15.473,906 1.996,907 5.868,908 27.494,909 3.148,910 16.834,911 20.67,912 10.638,913 34.069,914 16.605,915 1.819,916 5.78,917 29.369,918 2.767,919 17.964,920 22.06,922 36.451,923 17.721,924 9300,925 16558,926 21.096,927 34.489,928 49.495,929 52.655,930 50.403,931 48.256,932 48.002,933 62.148,934 6.186,935 142.642,936 45.962,937 5.522,938 6.118,939 6.395,940 5.253,941 5.226,942 7.233,943 4.069,944 18.534,945 5.178,946 15.261,947 1.547,948 1.645,949 1.575,950 1.508,951 1.5,952 1.942,953 0.193,954 4.458,955 1.436,956 4.059,957 4.081,958 4.12,959 4.002,960 7.43,961 4.001,962 3.936,963 3.96,964 3.95,965 3.888,966 6.818,967 3.879,968 3.779,969 3.814,970 3.764,971 3.686,972 6.469,973 3.68,974 3.657,975 3.685,976 3.628,977 3.556,978 5.013,979 3.558,980 3.197,981 3.248,982 3.584,983 3.072,984 4.677,985 3.084,986 3.005,987 3.048,988 3.157,989 2.882,990 4.651,991 2.86,992 2.992,993 3.016,994 2.964,995 2.835,996 4.389,997 2.833,998 2.904,999 2.979,1000 2.886,1001 2.778,1002 4.158,1003 2.781,1004 0.144,1005 0.129,1006 0.212,1007 0.132,1008 0.101,1009 4.616,1010 0.132,1011 4.118,1012 0.064,1013 6.798,1014 0.35,1015 4.212,1016 0.099,1017 3.226,1018 4.233,1019 2.035,1020 11.195,1021 3.178,1022 1.995,1023 1.98,1024 2.063,1025 2.07,1026 1.326,1027 2.068,1028 1.899,1029 1.884,1030 1.967,1031 1.961,1032 1.211,1033 1.972,1034 1.669,1035 1.645,1036 1.86,1037 1.793,1038 1.161,1039 1.793,1040 1.577,1041 1.507,1042 1.775,1043 1.751,1044 0.988,1045 1.791,1046 1.477,1047 1.432,1048 1.661,1049 1.63,1050 0.767,1051 1.646,1052 1.129,1053 1.089,1054 1.237,1055 1.297,1056 0.3,1057 1.275,1058 0.899,1059 0.864,1060 1.115,1061 1.136,1062 0.164,1063 1.115,1064 0.844,1065 0.827,1066 1.062,1067 1.055,1068 0.133,1069 1.045,1070 4.174,1071 5.517,1072 2.398,1073 7.059,1074 4.443,1075 8.694,1076 6.293,1077 10.38,1080 12.433,1083 10.475,1084 4.646,1085 2.732,1087 0.46,1090 9.529,1091 1.95,1092 32.869,1093 75.965,1094 183.375,1095 213.556,1096 239.066,1097 241.066,1098 241.066,1099 65.271,1100 7.622,1101 76.88,1102 76.88,1103 23,1104 12.737,1105 4.087,1106 3.585,1107 44.359,1108 103,1109 98,1110 0.212,1111 207.866,1112 376.18,1113 498.953,1114 20021,1115 4.3,1116 20.543,1117 0.708,1118 0.587,1119 21.543,1120 17.018,1121 13.974,1122 0.437,1123 0.319,1124 9.444,1125 13.133,1126 9.188,1127 7.557,1128 14.551,1129 10.194,1130 12.763,1131 0.277,1132 0.177,1133 13.542,1134 8.138,1135 11.042,1136 0.175,1137 0.096,1138 11.663,1139 6.066,1140 9.32,1141 0.111,1142 0.052,1143 9.814,1144 4.406,1145 7.413,1146 0.069,1147 0.027,1148 8.192,1149 2.908,1150 0.322,1151 92.109,1152 0.218,1153 26.906,1154 0.613,1155 156,1156 446.27,1157 194.105,1158 503.273,1159 660.93,1160 464,1161 187,1162 434.054,1163 215.286,1164 464.879,1165 680.84,1166 438,1167 6.292}
{0 CHEMBL232404,1 1.891,2 14.762,3 3.965,4 15.724,5 153.247,6 9.276,7 0.267,8 4.313,9 4.409,10 4.036,11 3.872,12 5.565,13 3.876,14 4.875,15 5.025,16 4.509,17 4.291,18 6.41,19 4.282,20 5.152,21 5.307,22 4.631,23 4.507,24 6.453,25 4.477,26 5.325,27 5.506,28 4.66,29 4.536,30 6.696,31 4.5,32 5.311,33 5.504,34 4.697,35 4.534,36 6.621,37 4.488,38 5.299,39 5.491,40 4.807,41 4.508,42 6.777,43 4.473,44 5.225,45 5.418,46 4.683,47 4.415,48 6.695,49 4.402,50 5.142,51 5.295,52 4.675,53 4.359,54 6.896,55 4.345,56 0.293,57 1.143,58 8.523,59 6.044,60 53.92,61 6.427,62 1.174,63 2.195,64 21.82,65 10.459,66 182.283,67 11.796,68 0.984,69 2.219,70 32.574,71 14.505,72 150.475,73 16.216,74 1.701,75 2.486,76 44.705,77 16.998,78 289.133,79 18.424,80 1.58,81 2.371,82 48.798,83 17.129,84 248.717,85 19.768,86 1.801,87 2.228,88 53.484,89 17.351,90 285.503,91 20.259,92 1.531,93 2.31,94 46.872,95 15.575,96 242.879,97 17.703,98 1.868,99 2.197,100 35.75,101 13.16,102 347.418,103 13.924,104 154,105 67,106 0.297,107 0.666,108 0.83,109 0.867,110 0.867,111 0.867,112 3.765,113 0.902,114 -4.46,115 -4.39,116 -4.14,118 43.3,119 1,120 2,121 1,122 1,123 3,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 4,143 11,144 2,145 9,146 1,147 5,148 16,150 8,152 4,153 15,154 1,155 9,156 2,157 1,158 3,159 15,160 2,161 7,163 5,164 12,166 10,167 3,169 6,170 11,171 2,172 11,174 4,175 13,176 1,177 5,178 2,179 4,180 11,182 6,183 1,185 3,186 11,187 3796,188 26.927,189 26.927,190 26.927,191 26.927,192 26.927,193 24.497,194 36.052,195 15.073,196 27.649,197 22.026,198 22.026,199 22.026,200 22.026,201 22.026,202 18.02,203 43.966,204 6.985,205 23.335,206 4.175,207 1.823,208 0.774,209 0.541,210 0.541,211 0.541,212 4.446,213 2,216 1,217 1301,218 4.848,220 599.195,223 2.356,224 91.991,226 0.75,227 0.83,228 0.83,229 0.7,230 0.5,231 0.83,232 0.78,233 95.167,234 620,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.035,251 11.14,252 3.002,253 4.369,254 3.817,255 6.611,256 4.019,257 3.055,258 3.75,259 1.943,260 10.47,261 2.896,262 4.098,263 3.663,264 6.338,265 3.917,266 2.936,267 3.287,268 1.94,269 9.429,270 2.832,271 3.963,272 3.542,273 5.995,274 3.646,275 2.689,276 3.256,277 1.058,278 8.363,279 2.567,280 3.866,281 3.286,282 5.909,283 3.561,284 2.616,285 3.04,286 0.736,287 8.123,288 2.422,289 3.731,290 3.175,291 5.711,292 3.324,293 2.339,294 3.001,295 0.555,296 7.594,297 2.3,298 3.446,299 2.736,300 5.052,301 3.01,302 2.122,303 2.749,304 0.079,305 5.889,306 1.898,307 3.295,308 2.639,309 4.979,310 2.877,311 1.933,312 2.385,314 5.557,315 1.75,316 3.237,317 2.446,318 4.969,319 2.832,320 1.863,321 2.136,322 5.404,323 1.706,324 3.065,325 2.395,326 4.606,327 2.465,328 1.569,329 2.012,330 4.608,331 1.446,332 2.902,333 2.103,334 4.591,335 2.448,336 1.483,337 1.967,338 4.4,339 1.318,340 2.84,341 2.024,342 4.081,343 2.259,344 1.261,345 1.788,346 3.23,347 1.241,348 2.603,349 1.844,350 3.868,351 2.199,352 1.202,353 1.445,354 3.004,355 1.183,356 2.506,357 1.583,358 3.578,359 1.984,360 1,361 1.186,362 2.275,363 0.983,364 19.719,365 0.47,366 1.553,367 0.037,368 50,369 1.19,370 23,371 0.548,372 27,373 0.643,374 46.079,375 1.097,376 46.281,377 0.691,378 52.234,379 1.244,380 9.976,381 0.238,382 9.728,383 0.232,384 0.255,385 0.025,386 0.396,387 3,389 0.618,390 1.052,391 0.554,392 0.942,393 0.586,394 0.87,395 0.482,396 0.747,397 0.578,398 0.775,399 0.412,400 0.794,401 0.772,402 0.94,403 0.869,404 1.06,405 0.688,406 1.042,407 1.057,408 0.899,409 0.932,410 0.912,411 1.055,412 0.993,413 0.849,414 0.832,415 0.906,416 0.939,417 0.872,418 0.948,419 0.672,420 0.842,421 0.84,422 0.987,423 0.68,424 0.9,425 0.915,426 1.001,427 0.887,428 0.959,429 0.867,430 0.86,431 0.904,432 0.843,433 0.998,434 0.952,435 0.888,436 1.022,437 11.5,438 0.45,439 6.667,440 3.938,441 3.324,442 2.424,443 1.569,444 1.255,445 0.752,446 0.535,447 27241,448 105910,449 1.947,450 37.3,452 15,455 2,456 4,457 4,458 1.814,459 1.744,460 3.803,461 0.196,465 126.695,466 1.891,467 4.243,468 5.292,469 5.525,470 5.525,471 5.525,472 3.278,473 4.785,474 5.361,475 4.014,476 3456.22,477 9.496,478 60696.4,483 406.428,484 1.699,485 5.269,486 0.256,487 0.009,488 0.1,489 0.052,490 0.046,491 0.033,492 0.021,493 0.017,494 0.011,495 0.01,496 0.555,497 0.17,498 0.88,499 0.917,500 239.271,501 -0.052,502 -0.079,504 -0.001,505 -0.05,506 0.017,507 0.266,508 0.291,509 0.123,510 0.167,511 0.279,512 0.13,513 -0.082,514 -0.109,515 -0.056,516 -0.099,517 -0.015,518 -0.074,519 -0.142,520 -0.02,521 -0.065,522 0.043,523 -0.119,524 -0.017,525 -0.039,526 -0.029,527 0.059,528 0.036,529 -0.069,530 0.069,531 0.159,532 -0.052,533 0.235,534 0.013,535 0.126,536 0.137,537 -0.004,538 -0.113,539 0.127,540 0.022,541 0.03,542 0.146,543 0.151,544 0.124,545 -0.029,546 0.004,547 0.193,548 -0.11,549 5.954,550 6.114,551 0.571,552 52.435,553 1.036,554 1.136,555 3.235,556 10.465,557 0.691,558 3.829,559 4.22,560 4.477,561 4.71,562 4.977,563 5.124,564 5.242,565 5.323,566 5.403,567 5.521,568 8.602,569 0.681,570 621.48,571 3.829,572 5.416,573 6.279,574 7.182,575 8.064,576 8.968,577 9.859,578 10.764,579 11.658,580 12.564,581 6,584 3,586 1,589 5,592 7,594 12,597 1,599 2,600 67,601 18,602 2,603 45,605 70,606 29,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 2,616 2,617 1,618 1,619 2,620 1,621 19,622 9,623 1,624 5,625 3,626 1,628 6,631 3,633 25,634 11,635 2,636 13,637 2,639 4,641 1,642 4,647 4,650 1,652 1,653 2,654 2,655 2,661 4,663 2,664 2,665 3,667 42,668 1,669 5,670 1,672 1,673 2,674 1,675 1,676 1,677 1,678 5,679 6,680 1,681 3,684 24.083,685 12.848,686 9.028,687 3.927,688 3.027,689 1.359,690 0.953,691 9.396,692 11.459,693 4.078,694 4.654,695 5.19,696 5.712,697 6.261,698 6.604,699 6.98,700 7.336,701 7.687,702 7.974,703 0.9,704 75,705 16.352,706 7.888,707 8.404,708 28.246,709 23.431,710 2.904,711 121.972,714 270.735,715 152.812,716 55.319,717 78.297,718 118.118,719 44.88,721 152.812,722 467.151,723 100.199,724 17.222,725 35.646,726 56.857,727 151.591,728 102.054,730 270.735,731 86.057,732 270.735,733 208.131,734 162.998,735 78.297,737 223.651,738 210.083,741 83.29,742 112.608,743 90.53,745 315.616,746 173.437,747 231.109,749 278.495,750 54.372,751 80.328,752 34.612,753 272.355,754 270.735,755 218.317,756 231.109,758 0.604,759 0.354,760 0.176,761 0.099,762 31,763 18,764 0.071,765 5,767 1,768 4.712,769 436.991,771 24,772 217.722,773 31.595,774 12.491,775 6.848,777 218.317,778 5.342,781 -1.249,783 60.694,784 720.162,785 58,786 37.598,787 1.244,789 -1.81,790 69.389,791 76.136,792 0.312,793 0.7,794 0.872,795 0.911,796 0.911,797 0.911,798 5.384,799 2.122,800 6.333,801 7.594,802 4.905,803 5.342,804 3.813,805 7.215,806 4.802,807 6.633,808 1.933,809 7.956,810 5.889,811 4.796,812 5.345,813 4.063,814 8.361,815 4.575,816 7.976,817 1.863,818 9.68,819 5.557,820 6.616,821 7.511,822 5.704,823 11.407,824 6.42,825 9.347,826 1.569,827 11.461,828 5.404,829 7.245,830 8.249,831 6.743,832 13.305,833 6.943,834 10.746,835 1.483,836 13.277,837 4.608,838 8.627,839 9.98,840 8.139,841 15.933,842 8.327,843 12.165,844 1.261,845 15.116,846 4.4,847 9.561,848 11.052,849 9.404,850 18.132,851 9.174,852 13.598,853 1.202,854 16.973,855 3.23,856 10.794,857 12.613,858 10.756,859 20.623,860 10.386,861 3.347,862 1,863 18.843,864 3.004,865 11.858,866 13.853,867 12.078,868 22.951,869 11.378,870 3.209,871 11.766,872 20.724,873 2.275,874 13.041,875 15.34,876 13.422,877 25.396,878 12.526,879 3.055,880 11.14,881 22.613,882 4.268,883 14.162,884 16.668,885 14.759,886 27.781,887 13.585,888 2.936,889 10.47,890 24.51,891 4.122,892 15.332,893 18.123,894 16.101,895 30.215,896 14.71,897 2.689,898 9.429,899 26.412,900 3.75,901 16.48,902 19.498,903 17.441,904 32.626,905 15.802,906 2.616,907 8.363,908 28.32,909 3.287,910 17.648,911 20.939,912 18.783,913 35.059,914 16.923,915 2.339,916 8.123,917 30.233,918 3.256,919 18.811,920 22.34,921 20.125,922 37.485,923 18.032,924 26690,925 53032,926 27.975,927 46.267,928 71.392,929 74.196,930 72.883,931 69.3,932 68.778,933 85.261,934 24.344,935 210.719,936 64.856,937 5.641,938 6.461,939 6.629,940 5.304,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 31.133,947 1.586,948 1.649,949 1.62,950 1.54,951 1.528,952 1.895,953 0.541,954 4.683,955 1.441,956 4.061,957 4.08,958 4.104,959 3.997,960 8.513,961 4,962 3.934,963 3.965,964 4.01,965 3.868,966 7.999,967 3.867,968 3.885,969 3.92,970 3.808,971 3.742,972 7.999,973 3.747,974 3.731,975 3.76,976 3.754,977 3.614,978 7.433,979 3.627,980 3.576,981 3.622,982 3.549,983 3.346,984 7.427,985 3.374,986 3.393,987 3.457,988 3.54,989 3.198,990 7.425,991 3.202,992 3.315,993 3.349,994 3.391,995 3.07,996 6.818,997 3.093,998 3.199,999 3.247,1000 3.25,1001 3.045,1002 6.468,1003 3.075,1004 0.103,1005 0.099,1006 0.158,1007 0.095,1008 0.074,1009 4.641,1010 0.095,1011 4.461,1012 0.085,1013 7.125,1014 0.261,1015 4.262,1016 0.071,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.056,1025 2.077,1026 1.411,1027 2.072,1028 1.904,1029 1.887,1030 2.033,1031 2.041,1032 1.225,1033 2.041,1034 1.847,1035 1.799,1036 1.957,1037 1.97,1038 1.144,1039 1.971,1040 1.67,1041 1.647,1042 1.766,1043 1.828,1044 0.897,1045 1.808,1046 1.489,1047 1.436,1048 1.695,1049 1.726,1050 0.825,1051 1.712,1052 1.362,1053 1.295,1054 1.644,1055 1.601,1056 0.775,1057 1.62,1058 1.153,1059 1.107,1060 1.513,1061 1.404,1062 0.723,1063 1.429,1064 1.145,1065 1.064,1066 1.346,1067 1.376,1068 0.521,1069 1.315,1070 4.511,1071 5.883,1073 7.441,1075 9.082,1077 10.767,1079 3.045,1080 12.538,1081 40.274,1083 11.185,1084 1.899,1085 2.479,1087 -0.305,1088 3.108,1089 -4.704,1090 9.623,1091 1.704,1092 45.598,1093 126.695,1094 284.312,1095 354.554,1096 370.163,1097 370.163,1098 370.163,1099 179.046,1100 8.432,1101 117.5,1102 117.5,1103 24,1104 13.085,1105 4.248,1106 3.807,1107 79.015,1108 214,1109 252,1110 0.177,1111 284.741,1112 532.49,1113 686.528,1114 60037,1115 7.5,1116 30.93,1117 0.736,1118 0.571,1119 29.43,1120 23.992,1121 19.705,1122 0.438,1123 0.301,1124 12.618,1125 18.223,1126 12.265,1127 10.044,1128 19.071,1129 13.532,1130 19.312,1131 0.288,1132 0.162,1133 18.134,1134 10.884,1135 15.513,1136 0.178,1137 0.09,1138 15.145,1139 7.794,1140 12.266,1141 0.112,1142 0.05,1143 12.261,1144 5.464,1145 9.912,1146 0.069,1147 0.027,1148 10.317,1149 3.847,1150 0.28,1151 131.134,1152 0.189,1153 37.099,1154 0.484,1155 224,1156 921.365,1157 288.046,1158 866.29,1159 1100.5,1160 794,1161 266,1162 712.609,1163 314.244,1164 723.595,1165 1075.94,1166 676,1167 7.066}
{0 CHEMBL233218,1 1.373,2 6.938,3 4.57,4 20.889,5 66.624,6 8.758,7 0.889,8 3.373,9 3.469,10 3.104,11 3.087,12 4.484,13 3.044,14 3.836,15 3.956,16 3.479,17 3.468,18 4.922,19 3.407,20 4.06,21 4.246,22 3.445,23 3.53,24 5.058,25 3.427,26 3.977,27 4.175,28 3.187,29 3.409,30 4.93,31 3.283,32 3.853,33 4.08,34 2.977,35 3.237,36 4.739,37 3.09,38 3.672,39 3.904,40 2.871,41 3.063,42 4.577,43 2.894,44 3.41,45 3.649,46 2.73,47 2.752,48 4.362,49 2.55,50 2.884,51 3.139,52 2.191,53 2.149,54 3.836,55 1.91,56 0.008,57 0.3,58 3.731,59 1.958,60 3.291,61 2.615,62 0.024,63 0.499,64 6.717,65 3.249,66 6.053,67 4.272,68 0.094,69 0.653,70 13.26,71 4.791,72 12.482,73 6.167,74 0.088,75 0.6,76 12.208,77 4.533,78 11.747,79 5.922,80 0.086,81 0.522,82 10.145,83 4.351,84 10.091,85 6.033,86 0.034,87 0.42,88 9.103,89 3.869,90 9.163,91 5.362,92 0.045,93 0.308,94 9.308,95 3.181,96 9.766,97 4.247,98 0.05,99 0.17,100 7.69,101 2.053,102 8.381,103 2.621,104 2,105 25,106 0.266,107 0.45,108 0.637,109 0.82,110 0.85,111 0.85,112 2.855,113 0.924,114 -5.34,115 -5.22,116 -4.88,118 53.8,131 9,132 1,133 2,136 1,137 1,143 7,145 5,148 9,150 4,153 8,155 1,159 7,161 1,164 10,170 6,175 5,180 2,186 1,187 246,188 11.069,189 11.069,190 11.069,191 11.069,192 11.069,193 9.199,194 7.926,195 6.571,196 11.305,197 8.892,198 8.892,199 8.892,200 8.892,201 8.892,202 6.178,203 5.641,204 3.12,205 9.349,206 3.328,207 2.375,208 1.405,209 0.462,210 0.308,211 0.308,212 3.533,213 1,215 1,216 1,217 244,218 1.581,219 28.072,220 77.556,221 53.589,223 0.953,224 4.99,226 1,227 1,228 1,229 0.5,231 1,232 0.79,233 32.833,234 111,235 4.591,236 3.227,237 6.706,238 4.108,239 3.152,240 4.529,242 10.886,243 3.017,244 3.997,245 2.903,246 5.744,247 3.523,248 2.561,249 3.628,251 7.742,252 2.459,253 3.556,254 2.451,255 5.035,256 3.075,257 2.175,258 2.945,260 6.012,261 1.89,262 3.047,263 1.568,264 4.541,265 2.544,266 1.548,267 2.32,269 4.342,270 1.541,271 2.982,272 1.541,273 4.02,274 2.464,275 1.501,276 2.208,278 3.496,279 1.417,280 2.549,281 1.093,282 3.564,283 2.027,284 1.058,285 1.573,287 2.589,288 1.016,289 2.5,290 1,291 3.414,292 2,293 1,294 1.5,296 2.275,297 1,298 1.998,299 0.63,300 3.088,301 1.503,302 0.527,303 0.766,305 1.236,306 0.507,307 1.13,308 0.265,309 2.421,310 0.643,311 -0.208,312 -0.266,314 -0.461,315 -0.144,316 0.674,317 -0.648,318 2,319 0.169,320 -0.81,321 -1.136,322 -1.948,323 -0.731,324 0.576,325 -0.844,326 2,327 0.074,328 -0.881,329 -1.277,330 -2.17,331 -0.838,332 0.5,333 -1,334 2,336 -1,337 -1.5,338 -3,339 -1,340 0.039,341 -1.069,342 1.623,343 -0.447,344 -1.275,345 -1.696,346 -3.107,347 -1.058,348 -0.11,349 -1.458,350 1.32,351 -0.653,352 -1.527,353 -2.165,354 -4.38,355 -1.446,356 -0.375,357 -1.809,358 0.867,359 -0.918,360 -1.866,361 -2.605,362 -5.275,363 -1.763,364 8.114,365 0.507,366 0.329,367 0.021,368 24,369 1.5,370 14,371 0.875,372 10,373 0.625,374 8.634,375 0.54,376 15.286,377 0.588,378 13.452,379 0.841,380 4.828,381 0.302,382 3.015,383 0.188,384 0.088,386 0.296,389 0.627,390 1.072,391 0.531,392 0.773,393 0.652,394 0.754,395 0.82,396 1.221,397 0.669,398 0.91,399 0.632,400 0.909,401 1.22,402 1.017,403 1.006,404 0.953,405 0.91,406 0.96,407 1.102,408 1.009,409 1.031,410 1.065,411 1.03,412 1.101,413 0.283,414 0.938,415 0.618,416 1.007,417 0.595,418 1.05,419 0.506,420 0.963,421 0.739,422 0.976,423 0.764,424 1.023,425 1.174,426 0.955,427 1.268,428 1.049,429 1.35,430 1.043,431 2.114,432 0.776,433 2.073,434 1.147,435 2.104,436 1.028,437 2.5,439 2,440 0.944,441 0.609,442 0.264,443 0.185,444 0.152,445 0.037,446 0.016,447 2019,448 5734,449 2.174,450 38.5,452 9,453 1,458 1.551,459 2.087,460 2.82,461 -0.856,465 35.689,466 1.373,467 2.325,468 3.295,469 4.239,470 4.393,471 4.393,472 2.227,473 3.578,474 3.973,475 2.857,476 342.808,477 6.69,478 2856.57,480 1,483 122.211,484 1.198,485 3.954,486 0.139,488 0.08,489 0.041,490 0.034,491 0.019,492 0.017,493 0.022,494 0.012,495 0.016,496 0.379,497 0.83,498 1,499 0.5,500 63.344,501 0.014,502 -0.118,503 0.021,504 -0.024,505 -0.103,506 0.008,507 -0.026,508 -0.231,509 -0.027,510 -0.127,511 -0.005,512 -0.12,513 -0.161,514 0.015,515 -0.107,516 -0.04,517 -0.024,518 -0.051,519 -0.201,521 -0.198,522 -0.14,523 -0.205,524 -0.168,525 0.226,526 0.013,527 0.063,528 -0.037,529 0.057,530 -0.036,531 0.11,532 -0.067,533 0.133,534 0.055,535 0.097,536 0.037,537 0.056,538 -0.072,539 0.13,540 0.089,541 0.077,542 0.074,543 -0.125,544 0.105,545 -0.021,546 0.141,547 0.017,548 0.179,549 0.903,550 1.771,551 0.938,552 8.422,553 0.994,554 1.097,555 4.107,556 16.865,557 0.757,558 2.944,559 3.258,560 3.555,561 3.829,562 4.025,563 4.025,564 4.094,565 4.143,566 3.989,567 3.85,568 4.057,569 0.711,570 227.7,571 2.944,572 4.466,573 5.323,574 6.201,575 7.077,576 7.962,577 8.847,578 9.735,579 10.622,580 11.512,581 3.8,585 1,588 2,589 10,592 2,593 1,594 16,599 1,600 26,601 16,602 2,603 18,605 28,606 14,607 14,608 4,609 8,611 3,612 4,613 1,621 14,630 1,633 10,636 2,637 1,639 1,641 0.667,644 1,646 1,647 2,648 1,661 2,664 1,667 16,678 1,684 7.667,685 4.676,686 3.5,687 1.515,688 3.17,689 1.502,690 1.055,691 2.277,692 9.489,693 3.296,694 3.966,695 4.638,696 5.29,697 5.834,698 6.143,699 6.585,700 7.011,701 7.15,702 7.419,703 0.8,704 23,705 5.859,706 2.47,707 7.549,708 11.37,709 9.412,710 2.049,711 32.778,712 0.004,714 117.711,715 105.308,716 1.899,717 39.149,721 105.308,722 156.86,723 1.899,726 94.334,728 10.729,729 13.915,730 105.94,731 39.149,732 117.711,733 107.207,735 39.149,737 117.711,741 1.899,742 105.308,743 39.149,745 117.711,746 1.899,747 144.457,749 117.711,750 10.974,751 96.233,753 39.149,754 117.711,755 1.899,756 144.457,758 0.579,759 0.342,760 0.189,761 0.105,762 14,763 5,764 0.036,765 1,766 1,767 1.133,768 2.91,769 112.676,770 0.133,771 15,772 56,773 9.64,774 3.779,775 1.679,776 2.46,778 20.383,781 1.894,782 2.158,784 264.067,785 26,790 25.844,791 28.518,792 0.292,793 0.495,794 0.701,795 0.902,796 0.935,797 0.935,798 4.489,799 0.527,800 5.293,801 2.275,802 3.932,803 4.649,805 6.103,806 3.839,807 5.714,808 -0.208,809 6.845,810 1.236,811 3.434,812 4.407,814 7.018,815 3.202,816 7.026,817 -0.81,818 8.502,819 -0.461,820 5.509,821 6.953,823 10.141,824 5.329,825 8.382,826 -0.881,827 10.224,828 -1.948,829 5.889,830 7.618,832 11.954,833 5.592,834 9.773,835 -1,836 11.99,837 -2.17,838 7.403,839 9.567,841 14.584,842 7.137,843 11.19,844 -1.275,845 13.787,846 -3,847 8.192,848 10.67,850 16.744,851 7.838,852 12.629,853 -1.527,854 15.606,855 -3.107,856 9.477,857 12.364,859 19.215,860 9.126,861 3.152,862 -1.866,863 17.443,864 -4.38,865 10.458,866 13.681,868 21.51,869 10.038,870 2.561,871 10.886,872 19.292,873 -5.275,874 11.651,875 15.263,877 23.927,878 11.213,879 2.175,880 7.742,881 21.152,882 4.529,883 12.72,884 16.682,886 26.276,887 12.225,888 1.548,889 6.012,890 23.019,891 3.628,892 13.878,893 18.218,895 28.674,896 13.354,897 1.501,898 4.342,899 24.893,900 2.945,901 14.988,902 19.684,904 31.045,905 14.413,906 1.058,907 3.496,908 26.772,909 2.32,910 16.134,911 21.202,913 33.436,914 15.523,915 1,916 2.589,917 28.655,918 2.208,919 17.263,920 22.691,922 35.817,923 16.604,924 1963,925 3380,926 12.425,927 19.671,928 27.327,929 27.396,930 27.783,931 27.287,932 27.043,933 38.941,935 77.156,936 25.695,937 5.244,938 5.227,939 6.388,940 5.119,941 5.152,942 7.529,944 18.011,945 5.017,946 4.728,947 1.518,948 1.522,949 1.543,950 1.516,951 1.502,952 2.163,954 4.286,955 1.427,956 4.146,957 4.18,958 4.125,959 4.06,960 5.008,961 4.067,962 3.831,963 3.854,964 3.927,965 3.788,966 4.866,967 3.777,968 3.38,969 3.431,970 3.397,971 3.268,972 4.366,973 3.264,974 2.976,975 3.025,976 3.15,977 2.878,978 4.141,979 2.868,980 2.854,981 2.925,982 2.785,983 2.735,984 3.719,985 2.715,986 2.743,987 2.781,988 2.687,989 2.665,990 3.674,991 2.641,992 2.402,993 2.478,994 2.278,995 2.281,996 3.17,997 2.262,998 2.071,999 2.188,1000 2.2,1001 1.807,1002 3.108,1003 1.796,1004 0.255,1005 0.179,1006 0.373,1007 0.228,1008 0.175,1009 4.591,1010 0.252,1011 3.227,1013 6.706,1014 0.605,1015 4.108,1016 0.168,1017 3.152,1018 4.529,1020 10.886,1021 3.017,1022 1.964,1023 1.938,1024 2.047,1025 2.057,1026 1.175,1027 2.056,1028 1.855,1029 1.832,1030 1.956,1031 1.925,1032 1.051,1033 1.942,1034 1.437,1035 1.39,1036 1.586,1037 1.595,1038 0.656,1039 1.599,1040 1.034,1041 0.991,1042 1.19,1043 1.175,1044 0.32,1045 1.192,1046 0.886,1047 0.821,1048 1.181,1049 1.062,1050 0.218,1051 1.107,1052 0.774,1053 0.714,1054 1.072,1055 0.953,1056 0.127,1057 0.999,1058 0.628,1059 0.586,1060 0.832,1061 0.766,1063 0.808,1066 0.458,1067 0.246,1069 0.329,1070 3.611,1071 4.92,1072 2.398,1073 6.438,1074 4.727,1075 8.046,1076 6.843,1077 9.699,1080 5.882,1092 18.483,1093 35.689,1094 60.463,1095 85.682,1096 110.211,1097 114.211,1098 114.211,1099 13.716,1100 6.319,1101 4.93,1102 4.93,1103 17,1104 12.042,1105 4.087,1106 3.17,1107 21.784,1108 38,1109 40,1110 0.292,1111 117.518,1112 188.71,1113 278.505,1114 3827,1115 3.8,1116 10.958,1117 0.685,1118 0.585,1119 11.458,1120 9.355,1121 7.843,1122 0.436,1123 0.308,1124 5.171,1125 7.44,1126 5.019,1127 4.158,1128 8.132,1129 5.543,1130 6.97,1131 0.279,1132 0.166,1133 7.378,1134 4.157,1135 6.055,1136 0.178,1137 0.087,1138 6.343,1139 2.956,1140 5.078,1141 0.113,1142 0.045,1143 5.245,1144 2.036,1145 4.135,1146 0.075,1147 0.025,1148 4.349,1149 1.388,1150 0.435,1151 50.773,1152 0.284,1153 15.923,1154 0.867,1155 86,1156 209.848,1157 104.267,1158 243.045,1159 334.3,1160 228,1161 102,1162 233.736,1163 115.089,1164 249.84,1165 365.47,1166 237,1167 5.301}
{0 CHEMBL233848,1 1.916,2 14.805,3 3.759,4 14.133,5 148.35,6 9.491,7 0.273,8 4.273,9 4.367,10 4.013,11 3.84,12 5.542,13 3.848,14 4.828,15 4.966,16 4.485,17 4.258,18 6.4,19 4.25,20 5.117,21 5.276,22 4.594,23 4.459,24 6.425,25 4.431,26 5.249,27 5.424,28 4.615,29 4.466,30 6.652,31 4.434,32 5.236,33 5.434,34 4.638,35 4.433,36 6.576,37 4.396,38 5.143,39 5.317,40 4.745,41 4.381,42 6.702,43 4.37,44 5.075,45 5.238,46 4.639,47 4.307,48 6.639,49 4.321,50 5.07,51 5.217,52 4.628,53 4.279,54 6.866,55 4.271,56 0.319,57 1.103,58 7.554,59 5.683,60 58.125,61 5.831,62 1.151,63 2.128,64 18.816,65 10.042,66 185.918,67 10.993,68 1.072,69 2.128,70 31.761,71 13.892,72 168.747,73 15.3,74 1.645,75 2.342,76 39.481,77 15.649,78 278.094,79 16.48,80 1.65,81 2.176,82 47.241,83 15.758,84 266.063,85 17.873,86 1.659,87 1.967,88 45.627,89 14.57,90 261.82,91 16.218,92 1.366,93 2.107,94 33.351,95 13.004,96 225.024,97 13.651,98 1.858,99 2.051,100 32.551,101 12.241,102 354.896,103 12.429,104 131,105 65,106 0.303,107 0.687,108 0.833,109 0.871,110 0.871,111 0.871,112 3.741,113 0.897,114 -4.28,115 -4.22,116 -3.98,118 43.8,119 1,120 2,121 1,123 3,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 4,143 11,144 1,145 7,146 2,147 7,148 16,150 5,152 7,153 15,154 1,155 8,156 1,157 2,158 4,159 15,160 1,161 5,162 1,163 7,164 12,166 9,167 2,168 1,169 7,170 11,171 1,172 9,173 1,174 6,175 13,177 3,178 3,179 6,180 11,182 5,183 1,185 4,186 11,187 3623,188 26.427,189 26.427,190 26.427,191 26.427,192 26.427,193 23.973,194 35.102,195 14.877,196 27.099,197 21.552,198 21.552,199 21.552,200 21.552,201 21.552,202 17.517,203 42.844,204 6.897,205 22.788,206 4.084,207 1.655,208 0.736,209 0.492,210 0.492,211 0.492,212 4.424,213 2,216 1,217 1276,218 4.637,220 582.512,223 2.365,224 90.833,226 0.75,227 0.83,228 0.83,229 0.7,230 0.5,231 0.83,232 0.78,233 93.167,234 607,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.193,244 4.475,245 4.117,246 6.795,247 4.144,248 3.206,249 4.12,250 2.035,251 11.138,252 2.987,253 4.367,254 3.72,255 6.604,256 3.998,257 3.034,258 3.75,259 1.94,260 10.441,261 2.843,262 4,263 3.653,264 6.062,265 3.847,266 2.863,267 3.277,268 1.909,269 8.683,270 2.818,271 3.963,272 3.542,273 5.994,274 3.589,275 2.63,276 3.148,277 1.058,278 8.356,279 2.531,280 3.821,281 3.283,282 5.863,283 3.559,284 2.595,285 3.035,286 0.561,287 7.973,288 2.421,289 3.731,290 3.175,291 5.697,292 3.312,293 2.329,294 2.974,295 0.555,296 7.54,297 2.287,298 3.442,299 2.734,300 4.979,301 2.969,302 2.099,303 2.748,305 5.789,306 1.753,307 3.292,308 2.591,309 4.973,310 2.832,311 1.863,312 2.385,314 5.404,315 1.736,316 3.234,317 2.422,318 4.655,319 2.652,320 1.664,321 2.065,322 4.612,323 1.628,324 2.917,325 2.392,326 4.591,327 2.465,328 1.568,329 2.011,330 4.605,331 1.446,332 2.899,333 2.025,334 4.263,335 2.448,336 1.477,337 1.848,338 3.946,339 1.317,340 2.829,341 1.881,342 4.079,343 2.214,344 1.219,345 1.786,346 3.228,347 1.194,348 2.602,349 1.822,350 3.724,351 2.1,352 1.105,353 1.261,354 2.732,355 1.088,356 2.338,357 1.521,358 3.527,359 1.984,360 1,361 1.181,362 2.275,363 0.983,364 19.219,365 0.469,366 1.464,367 0.036,368 49.25,369 1.201,370 23,371 0.561,372 26.25,373 0.64,374 43.343,375 1.057,376 44.981,377 0.703,378 50.287,379 1.227,380 9.814,381 0.239,382 9.48,383 0.231,384 0.235,385 0.026,386 0.385,387 3,389 0.631,390 0.996,391 0.549,392 0.889,393 0.593,394 0.828,395 0.462,396 0.781,397 0.584,398 0.84,399 0.415,400 0.86,401 0.78,402 0.905,403 0.868,404 1.015,405 0.698,406 1.011,407 1.047,408 0.933,409 0.953,410 0.955,411 1.03,412 1.037,413 0.893,414 0.796,415 0.91,416 0.866,417 0.916,418 0.873,419 0.706,420 0.86,421 0.901,422 1.006,423 0.721,424 0.869,425 0.974,426 1.102,427 0.782,428 0.981,429 0.961,430 0.875,431 0.93,432 0.843,433 1.02,434 0.946,435 0.93,436 1.022,437 11,438 0.401,439 6.444,440 3.563,441 3.084,442 2.312,443 1.407,444 1.193,445 0.715,446 0.479,447 26104,448 103483,449 1.959,450 35.9,452 12,455 3,456 4,457 4,458 1.808,459 1.763,460 3.794,461 0.813,465 122.597,466 1.916,467 4.345,468 5.264,469 5.508,470 5.508,471 5.508,472 3.271,473 4.93,474 5.325,475 4.021,476 3297.59,477 9.421,478 57430.4,483 384,484 1.7,485 5.24,486 0.25,487 0.009,488 0.099,489 0.049,490 0.045,491 0.034,492 0.02,493 0.017,494 0.011,495 0.009,496 0.544,497 0.17,498 0.88,499 0.916,500 232.592,501 -0.063,502 -0.035,503 -0.007,504 0.036,505 -0.052,506 0.042,507 0.279,508 0.253,509 0.1,510 0.102,511 0.281,512 0.058,513 -0.085,514 -0.095,515 -0.039,516 -0.06,517 -0.021,518 -0.033,519 -0.142,520 -0.046,521 -0.082,523 -0.117,524 -0.062,525 -0.051,526 -0.008,527 0.1,528 0.111,529 -0.083,530 0.162,531 0.159,532 -0.036,533 0.218,534 -0.001,535 0.126,536 0.151,537 -0.022,538 -0.152,539 0.131,540 -0.015,541 0.005,542 0.087,543 0.149,544 0.121,545 -0.029,546 0.016,547 0.184,548 -0.109,549 5.953,550 5.829,551 0.585,552 52.215,553 1.039,554 1.136,555 3.048,556 9.293,557 0.695,558 3.807,559 4.19,560 4.443,561 4.673,562 4.942,563 5.088,564 5.198,565 5.263,566 5.371,567 5.489,568 8.633,569 0.689,570 607.45,571 3.807,572 5.389,573 6.248,574 7.148,575 8.027,576 8.928,577 9.816,578 10.718,579 11.61,580 12.514,581 6.3,584 3,586 1,589 5,592 7,594 12,597 1,599 2,600 64,601 18,602 2,603 44,605 67,606 28,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 2,616 2,617 1,618 1,619 2,620 1,621 19,622 8,623 1,624 5,625 3,626 1,628 6,631 3,633 23,634 11,635 3,636 13,637 2,639 4,641 1,642 4,647 4,650 1,652 2,653 1,654 2,655 2,661 4,663 1,664 2,665 3,667 41,668 1,669 5,670 2,672 1,673 1,674 1,675 1,676 1,677 1,678 5,679 6.3,680 1,681 3,684 23.25,685 11.898,686 8.833,687 3.765,688 3.031,689 1.361,690 0.959,691 9.158,692 11.429,693 4.06,694 4.635,695 5.168,696 5.695,697 6.245,698 6.586,699 6.96,700 7.309,701 7.667,702 7.955,703 0.9,704 72,705 15.965,706 7.735,707 8.438,708 27.464,709 22.812,710 2.938,711 120.472,714 235.422,715 144.415,716 70.205,717 78.297,718 118.118,719 44.88,721 144.415,722 431.837,723 115.086,724 8.825,725 50.532,726 56.857,727 151.591,728 102.054,730 235.422,731 86.057,732 235.422,733 214.621,734 162.998,735 78.297,737 188.338,738 210.083,741 98.176,742 104.212,743 90.53,745 280.302,746 188.323,747 222.713,749 243.182,750 54.372,751 68.807,752 52.623,753 272.355,754 235.422,755 233.204,756 222.713,758 0.602,759 0.35,760 0.175,761 0.098,762 30,763 17,764 0.075,765 5,767 1,768 4.7,769 419.029,771 24,772 210.905,773 30.617,774 12.263,775 6.77,777 233.204,778 5.284,781 -1.33,783 78.705,784 691.338,785 57,786 37.104,787 1.234,789 -1.92,790 66.505,791 72.72,792 0.319,793 0.724,794 0.877,795 0.918,796 0.918,797 0.918,798 5.361,799 2.099,800 6.297,801 7.54,802 4.875,803 5.323,804 3.799,805 7.171,806 4.775,807 6.607,808 1.863,809 7.914,810 5.789,811 4.745,812 5.316,813 4.057,814 8.316,815 4.529,816 7.949,817 1.664,818 9.633,819 5.404,820 6.578,821 7.494,822 5.7,823 11.354,824 6.387,825 9.319,826 1.568,827 11.41,828 4.612,829 7.194,830 8.225,831 6.74,832 13.258,833 6.896,834 10.717,835 1.477,836 13.224,837 4.605,838 8.583,839 9.963,840 8.137,841 15.88,842 8.287,843 12.135,844 1.219,845 15.062,846 3.946,847 9.509,848 11.033,849 9.403,850 18.087,851 9.124,852 13.568,853 1.105,854 16.918,855 3.228,856 10.746,857 12.598,858 10.756,859 20.576,860 10.339,861 3.347,862 1,863 18.788,864 2.732,865 11.806,866 13.838,867 12.078,868 22.911,869 11.325,870 3.206,871 11.766,872 20.669,873 2.275,874 12.991,875 15.328,876 13.422,877 25.358,878 12.473,879 3.034,880 11.138,881 22.559,882 4.268,883 14.111,884 16.656,885 14.759,886 27.748,887 13.529,888 2.863,889 10.441,890 24.457,891 4.12,892 15.282,893 18.112,894 16.101,895 30.183,896 14.654,897 2.63,898 8.683,899 26.361,900 3.75,901 16.431,902 19.489,903 17.441,904 32.599,905 15.743,906 2.595,907 8.356,908 28.27,909 3.277,910 17.6,911 20.931,912 18.783,913 35.034,914 16.864,915 2.329,916 7.973,917 30.184,918 3.148,919 18.764,920 22.333,921 20.125,922 37.463,923 17.972,924 25518,925 51172,926 27.57,927 44.506,928 69.379,929 72.148,930 70.696,931 67.398,932 66.941,933 83.427,934 23.769,935 203.61,936 63.22,937 5.641,938 6.461,939 6.629,940 5.303,941 5.347,942 7.268,943 5.86,944 19.162,945 5.193,946 29.505,947 1.577,948 1.64,949 1.607,950 1.532,951 1.521,952 1.896,953 0.54,954 4.628,955 1.437,956 4.058,957 4.077,958 4.102,959 3.996,960 8.513,961 3.999,962 3.929,963 3.96,964 4.009,965 3.866,966 7.999,967 3.864,968 3.884,969 3.92,970 3.8,971 3.738,972 7.999,973 3.742,974 3.728,975 3.754,976 3.754,977 3.613,978 7.433,979 3.627,980 3.542,981 3.582,982 3.549,983 3.311,984 7.427,985 3.34,986 3.341,987 3.405,988 3.504,989 3.158,990 7.426,991 3.164,992 3.313,993 3.347,994 3.39,995 3.05,996 6.818,997 3.091,998 3.189,999 3.237,1000 3.22,1001 3.041,1002 6.468,1003 3.051,1004 0.105,1005 0.101,1006 0.162,1007 0.097,1008 0.076,1009 4.641,1010 0.097,1011 4.461,1012 0.087,1013 7.125,1014 0.267,1015 4.262,1016 0.073,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.193,1022 1.995,1023 1.982,1024 2.053,1025 2.075,1026 1.408,1027 2.069,1028 1.901,1029 1.884,1030 2.033,1031 2.038,1032 1.221,1033 2.04,1034 1.846,1035 1.797,1036 1.955,1037 1.968,1038 1.137,1039 1.969,1040 1.668,1041 1.646,1042 1.747,1043 1.817,1044 0.866,1045 1.795,1046 1.453,1047 1.406,1048 1.69,1049 1.699,1050 0.825,1051 1.688,1052 1.297,1053 1.235,1054 1.515,1055 1.538,1056 0.759,1057 1.542,1058 1.153,1059 1.085,1060 1.513,1061 1.404,1062 0.65,1063 1.429,1064 1.122,1065 1.064,1066 1.286,1067 1.376,1068 0.521,1069 1.307,1070 4.489,1071 5.855,1073 7.408,1075 9.045,1077 10.727,1079 1.47,1080 12.463,1081 40.173,1083 11.054,1084 1.795,1085 5.215,1087 -0.318,1088 1.665,1089 -4.703,1090 9.591,1091 1.695,1092 44.071,1093 122.597,1094 278.068,1095 336.881,1096 352.49,1097 352.49,1098 352.49,1099 170.922,1100 8.398,1101 126.29,1102 126.29,1103 24,1104 13.036,1105 4.248,1106 3.807,1107 76.119,1108 209,1109 249,1110 0.174,1111 275.149,1112 515.19,1113 663.123,1114 58251,1115 7.8,1116 30.06,1117 0.733,1118 0.562,1119 28.56,1120 23.045,1121 19.294,1122 0.438,1123 0.299,1124 12.247,1125 17.846,1126 11.965,1127 9.766,1128 18.66,1129 13.149,1130 18.795,1131 0.289,1132 0.16,1133 17.616,1134 10.408,1135 14.995,1136 0.179,1137 0.089,1138 14.627,1139 7.485,1140 11.935,1141 0.113,1142 0.049,1143 11.93,1144 5.175,1145 9.652,1146 0.069,1147 0.026,1148 10.067,1149 3.654,1150 0.276,1151 128.465,1152 0.19,1153 36.519,1154 0.473,1155 218,1156 910.052,1157 281.686,1158 855.285,1159 1085.28,1160 784,1161 258,1162 700.834,1163 305.079,1164 709.678,1165 1055.83,1166 665,1167 7.319}
{0 CHEMBL234040,1 1.901,2 14.756,3 4.021,4 16.17,5 150.453,6 9.234,7 0.273,8 4.304,9 4.399,10 4.025,11 3.839,12 5.535,13 3.849,14 4.87,15 5.02,16 4.476,17 4.244,18 6.389,19 4.242,20 5.112,21 5.27,22 4.574,23 4.452,24 6.389,25 4.418,26 5.26,27 5.452,28 4.596,29 4.484,30 6.595,31 4.434,32 5.254,33 5.458,34 4.677,35 4.471,36 6.535,37 4.433,38 5.232,39 5.402,40 4.809,41 4.435,42 6.782,43 4.435,44 5.162,45 5.319,46 4.648,47 4.385,48 6.648,49 4.375,50 5.188,51 5.383,52 4.607,53 4.34,54 6.853,55 4.296,56 0.306,57 1.127,58 8.684,59 5.99,60 49.31,61 6.355,62 1.261,63 2.138,64 22.731,65 10.124,66 175.027,67 11.065,68 1.035,69 2.117,70 32.56,71 13.894,72 119.247,73 15.618,74 1.556,75 2.356,76 43.297,77 16.505,78 233.886,79 18.826,80 1.419,81 2.241,82 48.626,83 16.465,84 199.537,85 19.817,86 1.878,87 2.089,88 48.658,89 14.764,90 263.413,91 15.812,92 1.477,93 2.23,94 39.214,95 14.229,96 211.29,97 14.887,98 1.921,99 2.2,100 43.863,101 14.489,102 336.101,103 17.404,104 105,105 64,106 0.3,107 0.671,108 0.823,109 0.869,110 0.869,111 0.869,112 3.742,113 0.903,114 -3.94,115 -3.9,116 -3.7,118 42.4,120 1,122 1,123 6,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 3,143 9,144 1,145 6,146 1,147 5,148 15,149 1,150 3,152 4,153 15,154 3,155 7,156 2,157 1,158 3,159 13,161 7,163 5,164 9,166 11,167 3,169 6,170 9,171 2,172 9,174 2,175 11,176 1,177 5,178 3,179 4,180 7,182 7,185 1,186 8,187 3629,188 26.634,189 26.634,190 26.634,191 26.634,192 26.634,193 24.362,194 34.415,195 15.258,196 27.55,197 21.591,198 21.591,199 21.591,200 21.591,201 21.591,202 17.844,203 40.4,204 7.147,205 23.186,206 4.143,207 1.79,208 0.828,209 0.538,210 0.538,211 0.538,212 4.425,213 2,216 1,217 1276,218 4.69,220 591.261,223 2.408,224 85.682,226 0.75,227 0.83,228 0.83,229 0.7,230 0.5,231 0.83,232 0.78,233 93.167,234 605,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.193,244 4.477,245 4.117,246 6.795,247 4.146,248 3.208,249 4.122,250 2.035,251 11.14,252 2.993,253 4.369,254 3.714,255 6.609,256 4.006,257 3.044,258 3.75,259 1.943,260 10.464,261 2.84,262 3.971,263 3.542,264 6.005,265 3.696,266 2.733,267 3.278,268 1.058,269 8.441,270 2.629,271 3.914,272 3.281,273 5.923,274 3.556,275 2.611,276 3.116,277 0.86,278 8.132,279 2.417,280 3.714,281 3.175,282 5.642,283 3.41,284 2.489,285 2.983,286 0.8,287 7.326,288 2.302,289 3.498,290 2.876,291 5.332,292 3.265,293 2.29,294 2.737,295 0.736,296 6.908,297 2.219,298 3.429,299 2.735,300 4.979,301 2.958,302 2.082,303 2.495,304 0.079,305 5.78,306 1.751,307 3.29,308 2.618,309 4.973,310 2.832,311 1.863,312 2.385,314 5.404,315 1.726,316 3.232,317 2.409,318 4.651,319 2.536,320 1.591,321 2.056,322 4.608,323 1.5,324 2.904,325 2.165,326 4.591,327 2.449,328 1.568,329 2.011,330 4.57,331 1.336,332 2.877,333 2.079,334 4.087,335 2.387,336 1.479,337 1.796,338 3.385,339 1.313,340 2.604,341 2.024,342 3.981,343 2.219,344 1.238,345 1.548,346 3.22,347 1.195,348 2.547,349 1.585,350 3.605,351 2.125,352 1.161,353 1.331,354 2.901,355 1.104,356 2.378,357 1.506,358 3.48,359 1.952,360 1,361 1.171,362 2.136,363 0.946,364 19.219,365 0.469,366 1.375,367 0.034,368 48.25,369 1.177,370 21.5,371 0.524,372 26.75,373 0.652,374 43.455,375 1.06,376 45.581,377 0.691,378 49.868,379 1.216,380 9.89,381 0.241,382 9.494,383 0.232,384 0.218,385 0.026,386 0.354,387 3,389 0.658,390 1.083,391 0.556,392 0.977,393 0.594,394 0.886,395 0.641,396 0.733,397 0.634,398 0.739,399 0.43,400 0.778,401 0.789,402 0.919,403 0.892,404 1.025,405 0.65,406 1.031,407 0.904,408 0.891,409 0.881,410 0.92,411 0.953,412 0.99,413 0.766,414 0.885,415 0.807,416 0.934,417 0.77,418 0.862,419 0.912,420 0.83,421 0.94,422 0.91,423 0.917,424 0.831,425 1.061,426 1.129,427 1.052,428 1.121,429 1.117,430 1.067,431 0.679,432 0.79,433 0.895,434 0.93,435 0.691,436 0.977,437 10.5,438 0.458,439 5.778,440 3.25,441 3.093,442 2.319,443 1.429,444 1.174,445 0.669,446 0.526,447 26220,448 99470,449 1.973,450 37.9,452 21,455 2,456 2,458 1.808,459 1.789,460 3.79,461 0.21,465 125.473,466 1.901,467 4.255,468 5.217,469 5.506,470 5.506,471 5.506,472 3.281,473 4.979,474 5.325,475 4.006,476 3285.11,477 9.425,478 57097.9,483 398.93,484 1.686,485 5.248,486 0.239,487 0.009,488 0.09,489 0.046,490 0.045,491 0.032,492 0.019,493 0.017,494 0.011,495 0.01,496 0.519,497 0.33,498 0.88,499 0.84,500 232.316,501 -0.061,502 -0.104,503 0.003,504 -0.028,505 -0.054,506 0.006,507 0.179,508 0.3,509 0.079,510 0.197,511 0.274,512 0.134,513 -0.083,514 -0.083,515 -0.065,516 -0.059,517 -0.001,518 -0.059,519 -0.054,520 -0.001,521 -0.004,522 0.051,523 -0.054,524 0.014,525 0.008,526 -0.083,527 0.179,528 0.053,529 -0.008,530 0.181,531 0.042,532 0.003,533 0.139,534 0.061,535 0.06,536 0.127,537 -0.092,538 -0.183,539 -0.074,540 -0.141,541 -0.08,542 -0.119,543 0.256,544 0.111,545 0.103,546 0.038,547 0.303,548 0.016,549 5.943,550 5.86,551 0.585,552 52.428,553 1.036,554 1.138,555 2.714,556 7.363,557 0.686,558 3.807,559 4.174,560 4.419,561 4.654,562 4.927,563 5.043,564 5.147,565 5.268,566 5.366,567 5.447,568 8.561,569 0.676,570 609.47,571 3.807,572 5.38,573 6.232,574 7.127,575 8.002,576 8.9,577 9.785,578 10.686,579 11.576,580 12.48,581 6.1,583 1,584 2,586 1,589 5,592 7,594 12,597 1,599 2,600 66,601 17,602 2,603 44,605 69,606 28,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 1,618 1,619 1,620 1,621 18,622 9,624 4,625 2,626 1,628 5,631 3,633 25,634 11,635 2,636 13,637 2,639 4,641 1,642 4,647 4,650 1,652 1,653 1,654 2,655 2,657 1,660 1,661 4,663 1,664 2,665 3,667 41,668 1,669 7,670 1,671 1,673 2,674 1,675 1,676 1,677 1,678 5,679 6.1,680 1,681 2,682 1,684 22.917,685 12.264,686 8.889,687 3.811,688 2.965,689 1.357,690 0.956,691 9.686,692 11.266,693 4.043,694 4.605,695 5.145,696 5.682,697 6.243,698 6.577,699 6.949,700 7.321,701 7.673,702 7.948,703 0.9,704 70,705 15.937,706 7.609,707 8.341,708 27.688,709 22.707,710 2.841,711 116.472,714 270.735,715 148.038,716 55.319,717 78.297,718 103.973,719 44.88,721 148.038,722 453.006,723 100.199,724 8.396,725 41.277,726 56.857,727 132.741,728 105.179,730 270.735,731 86.057,732 270.735,733 203.357,734 148.853,735 78.297,737 270.735,738 137.854,739 11,741 83.22,742 107.903,743 90.53,745 315.616,746 159.292,747 226.335,749 278.495,750 58.423,751 71.502,752 34.612,753 258.21,754 270.735,755 204.172,756 226.335,758 0.596,759 0.345,760 0.175,761 0.101,762 29,763 16,764 0.101,765 7,767 1,768 4.736,769 417.362,771 24,772 210.905,773 30.896,774 12.854,775 7.24,777 204.172,778 5.402,781 -1.116,783 60.694,784 701.243,785 56,786 25.63,787 1.258,789 -1.684,790 68.389,791 75.136,792 0.315,793 0.704,794 0.863,795 0.911,796 0.911,797 0.911,798 5.338,799 2.082,800 6.271,801 6.908,802 4.86,803 5.293,804 3.714,805 7.133,806 4.733,807 6.573,808 1.863,809 7.877,810 5.78,811 4.691,812 5.255,813 3.994,814 8.26,815 4.438,816 7.908,817 1.591,818 9.589,819 5.404,820 6.547,821 7.458,822 5.646,823 11.307,824 6.316,825 9.274,826 1.568,827 11.361,828 4.608,829 7.14,830 8.179,831 6.717,832 13.21,833 6.796,834 10.67,835 1.479,836 13.171,837 4.57,838 8.541,839 9.933,840 8.121,841 15.842,842 8.198,843 12.087,844 1.238,845 15.009,846 3.385,847 9.458,848 11.002,849 9.396,850 18.053,851 9.023,852 13.521,853 1.161,854 16.865,855 3.22,856 10.702,857 12.577,858 10.752,859 20.55,860 10.243,861 3.347,862 1,863 18.737,864 2.901,865 11.761,866 13.819,867 12.076,868 22.89,869 11.228,870 3.208,871 11.766,872 20.62,873 2.136,874 12.95,875 15.315,876 13.421,877 25.342,878 12.38,879 3.044,880 11.14,881 22.513,882 4.268,883 14.073,884 16.646,885 14.758,886 27.737,887 13.439,888 2.733,889 10.464,890 24.414,891 4.122,892 15.248,893 18.106,894 16.101,895 30.176,896 14.569,897 2.611,898 8.441,899 26.321,900 3.75,901 16.399,902 19.484,903 17.441,904 32.594,905 15.664,906 2.489,907 8.132,908 28.234,909 3.278,910 17.573,911 20.928,912 18.783,913 35.032,914 16.79,915 2.29,916 7.326,917 30.152,918 3.116,919 18.74,920 22.331,921 20.124,922 37.462,923 17.904,924 25484,925 50068,926 27.857,927 45.267,928 68.657,929 71.344,930 69.404,931 66.906,932 66.394,933 81.79,934 22.673,935 198.983,936 61.717,937 5.641,938 6.461,939 6.927,940 5.365,941 5.347,942 7.268,943 5.86,944 19.167,945 5.193,946 27.626,947 1.56,948 1.621,949 1.577,950 1.521,951 1.509,952 1.859,953 0.515,954 4.522,955 1.403,956 4.058,957 4.076,958 4.103,959 3.996,960 8.513,961 3.998,962 3.925,963 3.945,964 4.01,965 3.867,966 7.999,967 3.865,968 3.83,969 3.885,970 3.755,971 3.634,972 7.999,973 3.649,974 3.734,975 3.766,976 3.725,977 3.603,978 7.431,979 3.616,980 3.617,981 3.658,982 3.564,983 3.404,984 7.426,985 3.424,986 3.321,987 3.387,988 3.549,989 3.14,990 6.818,991 3.142,992 3.305,993 3.347,994 3.385,995 3.052,996 6.468,997 3.09,998 3.191,999 3.242,1000 3.187,1001 3.042,1002 4.929,1003 3.047,1004 0.105,1005 0.101,1006 0.162,1007 0.097,1008 0.076,1009 4.641,1010 0.097,1011 4.461,1012 0.087,1013 7.125,1014 0.267,1015 4.262,1016 0.073,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.193,1022 1.995,1023 1.982,1024 2.043,1025 2.073,1026 1.272,1027 2.067,1028 1.899,1029 1.885,1030 1.979,1031 2.007,1032 1.225,1033 2.002,1034 1.758,1035 1.7,1036 1.951,1037 1.97,1038 1.147,1039 1.968,1040 1.673,1041 1.647,1042 1.793,1043 1.844,1044 1.002,1045 1.826,1046 1.545,1047 1.496,1048 1.713,1049 1.753,1050 0.873,1051 1.741,1052 1.298,1053 1.226,1054 1.603,1055 1.537,1056 0.825,1057 1.564,1058 1.153,1059 1.095,1060 1.513,1061 1.404,1062 0.732,1063 1.429,1064 1.138,1065 1.064,1066 1.342,1067 1.376,1068 0.496,1069 1.315,1070 4.489,1071 5.844,1073 7.386,1075 9.014,1077 10.689,1079 1.582,1080 12.524,1081 40.224,1083 11.135,1084 3.526,1085 2.487,1086 5.315,1088 3.56,1089 -4.693,1090 9.611,1091 1.711,1092 44.598,1093 125.473,1094 280.814,1095 344.301,1096 363.42,1097 363.42,1098 363.42,1099 158.913,1100 8.301,1101 109.66,1102 109.66,1103 24,1104 13.002,1105 4.17,1106 3.7,1107 76.046,1108 207,1109 253,1110 0.175,1111 278.076,1112 517.83,1113 670.266,1114 52040,1115 7.6,1116 29.897,1117 0.729,1118 0.569,1119 28.397,1120 23.329,1121 19.383,1122 0.441,1123 0.301,1124 12.303,1125 17.826,1126 12.016,1127 9.795,1128 18.749,1129 13.247,1130 18.593,1131 0.291,1132 0.162,1133 17.414,1134 10.364,1135 14.839,1136 0.181,1137 0.089,1138 14.471,1139 7.299,1140 11.74,1141 0.113,1142 0.048,1143 11.735,1144 4.991,1145 9.715,1146 0.071,1147 0.025,1148 10.12,1149 3.475,1150 0.277,1151 129.666,1152 0.189,1153 36.545,1154 0.478,1155 216,1156 903.365,1157 280.377,1158 843.428,1159 1070.94,1160 776,1161 254,1162 685.904,1163 302.853,1164 696,1165 1036.79,1166 650,1167 7.119}
{0 CHEMBL234041,1 1.848,2 14.659,3 5.377,4 28.914,5 150.872,6 9.082,7 0.273,8 4.31,9 4.404,10 4.017,11 3.871,12 5.537,13 3.87,14 4.881,15 5.025,16 4.482,17 4.293,18 6.383,19 4.277,20 5.156,21 5.313,22 4.61,23 4.504,24 6.412,25 4.465,26 5.328,27 5.521,28 4.634,29 4.525,30 6.655,31 4.481,32 5.289,33 5.485,34 4.681,35 4.523,36 6.572,37 4.475,38 5.3,39 5.492,40 4.801,41 4.508,42 6.782,43 4.468,44 5.216,45 5.408,46 4.657,47 4.418,48 6.622,49 4.395,50 5.167,51 5.329,52 4.652,53 4.351,54 6.888,55 4.332,56 0.267,57 1.111,58 9.237,59 6.308,60 47.695,61 6.79,62 1.173,63 2.152,64 23.267,65 11.1,66 181.365,67 12.386,68 0.903,69 2.182,70 34.66,71 15.316,72 124.787,73 17.599,74 1.642,75 2.467,76 47.889,77 17.328,78 250.888,79 19.459,80 1.384,81 2.342,82 48.525,83 16.951,84 203.615,85 19.948,86 1.837,87 2.215,88 54.493,89 17.39,90 268.238,91 20.473,92 1.306,93 2.29,94 46.686,95 16.067,96 204.159,97 18.422,98 1.977,99 2.186,100 40.177,101 13.587,102 346.185,103 14.601,104 131,105 65,106 0.291,107 0.661,108 0.818,109 0.869,110 0.869,111 0.869,112 3.742,113 0.916,114 -4.88,115 -4.79,116 -4.49,118 43.3,120 4,121 1,122 2,123 1,124 1,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 3,143 13,144 1,145 7,146 1,147 5,148 19,150 9,152 4,153 17,154 1,155 12,156 2,157 1,158 3,159 13,161 6,163 5,164 11,165 2,166 10,167 3,169 6,170 13,172 8,174 4,175 15,176 1,177 5,178 2,179 6,180 13,182 5,185 3,186 14,187 3529,188 26.59,189 26.59,190 26.59,191 26.59,192 26.59,193 24.343,194 32.899,195 14.936,196 27.412,197 21.485,198 21.485,199 21.485,200 21.485,201 21.485,202 17.765,203 37.494,204 6.865,205 22.868,206 4.218,207 1.865,208 0.864,209 0.541,210 0.541,211 0.541,212 4.424,213 2,216 1,217 1264,218 4.637,220 580.801,223 2.318,224 86.485,226 0.75,227 0.83,228 0.83,229 0.7,230 0.5,231 0.83,232 0.78,233 92.667,234 601,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.035,251 11.14,252 3.002,253 4.369,254 3.814,255 6.611,256 4.018,257 3.054,258 3.75,259 1.943,260 10.47,261 2.894,262 4.089,263 3.542,264 6.335,265 3.907,266 2.922,267 3.285,268 1.058,269 9.417,270 2.831,271 3.962,272 3.286,273 5.994,274 3.567,275 2.624,276 3.25,277 0.86,278 8.359,279 2.428,280 3.738,281 3.175,282 5.715,283 3.43,284 2.478,285 3.023,286 0.736,287 7.626,288 2.358,289 3.496,290 2.83,291 5.343,292 3.287,293 2.313,294 2.752,295 0.079,296 6.843,297 2.24,298 3.427,299 2.735,300 4.996,301 2.983,302 2.107,303 2.486,305 5.849,306 1.802,307 3.292,308 2.629,309 4.979,310 2.833,311 1.866,312 2.385,314 5.455,315 1.749,316 3.234,317 2.413,318 4.96,319 2.8,320 1.863,321 2.086,322 5.404,323 1.684,324 2.957,325 2.168,326 4.6,327 2.451,328 1.569,329 2.012,330 4.608,331 1.418,332 2.9,333 2.025,334 4.591,335 2.433,336 1.461,337 1.857,338 4.375,339 1.316,340 2.777,341 1.97,342 4.08,343 2.208,344 1.212,345 1.77,346 3.227,347 1.19,348 2.602,349 1.584,350 3.658,351 2,352 1,353 1.193,354 2.275,355 1,356 2.195,357 1.506,358 3.44,359 1.853,360 0.86,361 1,362 2.071,363 0.839,364 19.319,365 0.471,366 1.426,367 0.035,368 47.5,369 1.159,370 21.5,371 0.524,372 26,373 0.634,374 45.863,375 1.119,376 45.481,377 0.679,378 48.814,379 1.191,380 9.321,381 0.227,382 10.011,383 0.244,384 0.243,385 0.026,386 0.383,387 3,389 0.634,390 1.006,391 0.563,392 0.947,393 0.591,394 0.879,395 0.567,396 0.727,397 0.607,398 0.79,399 0.419,400 0.818,401 0.737,402 0.962,403 0.837,404 1.086,405 0.616,406 1.051,407 1.027,408 0.873,409 0.893,410 0.857,411 1.003,412 0.93,413 0.821,414 0.874,415 0.88,416 0.951,417 0.841,418 0.933,419 0.647,420 0.809,421 0.837,422 0.948,423 0.708,424 0.879,425 0.912,426 1.056,427 0.879,428 1.027,429 0.924,430 0.907,431 0.979,432 0.77,433 0.995,434 0.848,435 0.92,436 0.939,437 11,438 0.434,439 6.222,440 3.688,441 3.284,442 2.361,443 1.528,444 1.193,445 0.752,446 0.515,447 25356,448 93986,449 1.959,450 38.8,451 4,452 15,455 2,456 1,457 4,458 1.809,459 1.763,460 3.779,461 0.185,465 123.825,466 1.848,467 4.201,468 5.202,469 5.525,470 5.525,471 5.525,472 3.28,473 4.882,474 5.326,475 3.971,476 3256.1,477 9.43,478 55880.9,483 406.428,484 1.7,485 5.24,486 0.25,487 0.009,488 0.096,489 0.051,490 0.046,491 0.033,492 0.021,493 0.017,494 0.012,495 0.01,496 0.543,497 0.17,498 0.88,499 0.916,500 231.459,501 -0.05,502 -0.041,503 0.002,504 0.008,505 -0.05,506 0.025,507 0.228,508 0.293,509 0.1,510 0.168,511 0.285,512 0.116,513 -0.051,514 -0.147,515 -0.019,516 -0.113,517 0.02,518 -0.066,519 -0.121,521 -0.019,522 0.091,523 -0.084,524 0.047,525 -0.038,526 -0.057,527 0.075,528 0.018,529 -0.047,530 0.075,531 0.197,532 -0.013,533 0.228,534 0.039,535 0.15,536 0.136,537 -0.024,538 -0.162,539 0.122,540 -0.041,541 -0.002,542 0.099,543 0.125,544 0.177,545 -0.011,546 0.097,547 0.214,548 -0.029,549 5.942,550 6.095,551 0.585,552 49.692,553 1.032,554 1.135,555 3.648,556 13.311,557 0.687,558 3.807,559 4.19,560 4.454,561 4.691,562 4.963,563 5.1,564 5.209,565 5.303,566 5.394,567 5.505,568 8.354,569 0.673,570 608.48,571 3.807,572 5.389,573 6.252,574 7.154,575 8.037,576 8.941,577 9.831,578 10.737,579 11.632,580 12.538,581 4.5,584 2,586 1,589 5,592 7,594 12,597 1,599 2,600 67,601 17,602 2,603 44,605 70,606 29,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 1,616 5,617 1,618 1,619 5,620 1,621 18,622 10,623 1,624 4,625 2,626 1,628 5,631 3,633 26,634 10,635 2,636 12,637 2,639 3,641 1,642 4,647 4,650 1,652 1,653 1,654 2,655 2,660 1,661 4,663 2,664 2,665 3,667 41,668 1,669 5,670 1,671 1,672 2,673 1,674 1,675 1,676 1,677 1,678 5,679 6,680 1,681 2,682 1,684 23.25,685 12.731,686 8.917,687 3.941,688 2.967,689 1.355,690 0.95,691 9.406,692 11.334,693 4.043,694 4.615,695 5.168,696 5.699,697 6.253,698 6.593,699 6.965,700 7.331,701 7.685,702 7.97,703 0.9,704 73,705 15.96,706 7.676,707 8.333,708 27.787,709 23.143,710 2.833,711 116.139,714 282.506,715 151.023,716 52.194,717 78.297,718 103.973,719 44.88,721 151.023,722 464.777,723 97.075,724 19.279,725 33.379,726 56.857,727 132.741,728 102.054,730 282.506,731 86.057,732 282.506,733 203.217,734 148.853,735 78.297,737 235.422,738 184.938,739 11,741 72.198,742 118.786,743 90.53,745 327.387,746 156.168,747 229.32,749 290.266,750 50.525,751 79.261,752 34.612,753 258.21,754 282.506,755 201.048,756 229.32,758 0.599,759 0.355,760 0.18,761 0.101,762 30,763 17,764 0.086,765 6,767 1,768 4.654,769 423.595,771 24,772 210.905,773 30.934,774 12.466,775 6.736,777 201.048,778 5.431,781 -1.073,783 60.694,784 712.874,785 56,786 25.975,787 1.263,789 -1.597,790 69.171,791 76.052,792 0.305,793 0.693,794 0.858,795 0.911,796 0.911,797 0.911,798 5.347,799 2.107,800 6.301,801 6.843,802 4.875,803 5.303,804 3.691,805 7.18,806 4.766,807 6.59,808 1.866,809 7.92,810 5.849,811 4.745,812 5.286,813 3.987,814 8.326,815 4.511,816 7.931,817 1.863,818 9.642,819 5.455,820 6.583,821 7.476,822 5.645,823 11.374,824 6.383,825 9.302,826 1.569,827 11.421,828 5.404,829 7.201,830 8.206,831 6.717,832 13.275,833 6.888,834 10.701,835 1.461,836 13.236,837 4.608,838 8.592,839 9.952,840 8.121,841 15.907,842 8.289,843 12.12,844 1.212,845 15.076,846 4.375,847 9.522,848 11.024,849 9.396,850 18.111,851 9.128,852 13.556,853 1,854 16.933,855 3.227,856 10.759,857 12.593,858 10.752,859 20.606,860 10.35,861 3.347,862 0.86,863 18.805,864 2.275,865 11.824,866 13.836,867 12.076,868 22.938,869 11.34,870 3.209,871 11.766,872 20.688,873 2.071,874 13.01,875 15.327,876 13.421,877 25.386,878 12.495,879 3.054,880 11.14,881 22.58,882 4.268,883 14.134,884 16.658,885 14.758,886 27.774,887 13.555,888 2.922,889 10.47,890 24.479,891 4.122,892 15.306,893 18.115,894 16.101,895 30.209,896 14.685,897 2.624,898 9.417,899 26.384,900 3.75,901 16.456,902 19.492,903 17.441,904 32.622,905 15.779,906 2.478,907 8.359,908 28.295,909 3.285,910 17.627,911 20.934,912 18.783,913 35.055,914 16.903,915 2.313,916 7.626,917 30.21,918 3.25,919 18.792,920 22.337,921 20.124,922 37.482,923 18.014,924 24805,925 48240,926 27.57,927 46.023,928 69.014,929 71.818,930 70.918,931 67.2,932 66.714,933 82.105,934 21.073,935 203.661,936 62.567,937 5.641,938 6.461,939 6.676,940 5.304,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 29.161,947 1.569,948 1.632,949 1.612,950 1.527,951 1.516,952 1.866,953 0.479,954 4.629,955 1.422,956 4.061,957 4.079,958 4.103,959 3.998,960 8.513,961 4,962 3.935,963 3.963,964 4.01,965 3.869,966 7.999,967 3.867,968 3.887,969 3.917,970 3.799,971 3.775,972 7.999,973 3.77,974 3.731,975 3.758,976 3.754,977 3.615,978 7.431,979 3.628,980 3.549,981 3.599,982 3.549,983 3.329,984 7.426,985 3.35,986 3.317,987 3.359,988 3.508,989 3.1,990 6.818,991 3.114,992 3.293,993 3.347,994 3.364,995 3.047,996 6.468,997 3.089,998 3.195,999 3.245,1000 3.171,1001 3.028,1002 4.929,1003 3.03,1004 0.105,1005 0.101,1006 0.162,1007 0.097,1008 0.076,1009 4.641,1010 0.097,1011 4.461,1012 0.087,1013 7.125,1014 0.267,1015 4.262,1016 0.073,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.084,1025 2.077,1026 1.476,1027 2.074,1028 1.908,1029 1.888,1030 2.039,1031 2.04,1032 1.227,1033 2.048,1034 1.87,1035 1.832,1036 1.959,1037 1.969,1038 1.146,1039 1.972,1040 1.671,1041 1.648,1042 1.767,1043 1.826,1044 0.909,1045 1.807,1046 1.472,1047 1.417,1048 1.669,1049 1.709,1050 0.825,1051 1.698,1052 1.248,1053 1.186,1054 1.59,1055 1.539,1056 0.806,1057 1.557,1058 1.153,1059 1.098,1060 1.513,1061 1.404,1062 0.71,1063 1.429,1064 1.142,1065 1.064,1066 1.38,1067 1.376,1068 0.548,1069 1.316,1070 4.489,1071 5.855,1073 7.412,1075 9.053,1077 10.738,1079 3.263,1080 12.553,1081 40.257,1083 11.184,1084 2.925,1085 2.496,1086 5.373,1087 -0.045,1088 1.488,1089 -4.692,1090 9.622,1091 1.716,1092 45.103,1093 123.825,1094 281.495,1095 348.554,1096 370.163,1097 370.163,1098 370.163,1099 167.362,1100 8.367,1101 106.42,1102 106.42,1103 24,1104 13.058,1105 4.17,1106 3.7,1107 76.002,1108 203,1109 261,1110 0.18,1111 280.874,1112 524.13,1113 677.093,1114 54976,1115 7.5,1116 30.06,1117 0.733,1118 0.576,1119 28.56,1120 23.622,1121 19.332,1122 0.439,1123 0.305,1124 12.517,1125 17.875,1126 12.176,1127 9.986,1128 18.698,1129 13.433,1130 18.583,1131 0.286,1132 0.166,1133 17.404,1134 10.813,1135 15.223,1136 0.179,1137 0.092,1138 14.855,1139 7.861,1140 12.05,1141 0.112,1142 0.052,1143 12.046,1144 5.569,1145 9.819,1146 0.069,1147 0.028,1148 10.224,1149 3.982,1150 0.283,1151 128.861,1152 0.19,1153 36.331,1154 0.494,1155 218,1156 885.719,1157 280.296,1158 829.701,1159 1054.34,1160 762,1161 259,1162 677.792,1163 305.743,1164 691.056,1165 1028.74,1166 644,1167 6.699}
{0 CHEMBL234330,1 1.897,2 16.25,3 3.915,4 15.329,5 159.851,6 9.176,7 0.255,8 4.372,9 4.466,10 4.085,11 3.906,12 5.619,13 3.916,14 4.938,15 5.087,16 4.539,17 4.319,18 6.444,19 4.315,20 5.19,21 5.341,22 4.675,23 4.539,24 6.504,25 4.511,26 5.379,27 5.564,28 4.709,29 4.571,30 6.736,31 4.539,32 5.365,33 5.548,34 4.747,35 4.571,36 6.683,37 4.538,38 5.363,39 5.547,40 4.844,41 4.572,42 6.816,43 4.534,44 5.336,45 5.545,46 4.713,47 4.492,48 6.736,49 4.461,50 5.234,51 5.405,52 4.717,53 4.413,54 6.938,55 4.39,56 0.329,57 1.189,58 9.445,59 6.497,60 54.421,61 6.897,62 1.339,63 2.246,64 24.676,65 11.07,66 190.274,67 12.241,68 1.105,69 2.289,70 33.836,71 15.147,72 147.465,73 17.192,74 1.82,75 2.57,76 48.581,77 17.828,78 294.091,79 19.823,80 1.813,81 2.452,82 50.87,83 17.382,84 261.123,85 19.415,86 1.941,87 2.358,88 55.189,89 18.312,90 285.796,91 21.149,92 1.724,93 2.48,94 54.228,95 17.592,96 260.674,97 20.959,98 2.084,99 2.307,100 42.487,101 14.717,102 364.572,103 16.77,104 156,105 69,106 0.294,107 0.663,108 0.837,109 0.871,110 0.871,111 0.871,112 3.81,113 0.899,114 -3.91,115 -3.87,116 -3.67,118 42.3,120 2,121 1,122 2,123 4,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 4,143 11,144 2,145 7,146 1,147 5,148 16,149 2,150 8,152 4,153 15,154 1,155 9,156 2,157 1,158 3,159 13,160 2,161 9,163 5,164 11,166 11,167 3,169 6,170 11,171 2,172 9,174 4,175 13,176 3,177 5,178 2,179 4,180 11,182 6,183 1,185 3,186 10,187 4386,188 28.504,189 28.504,190 28.504,191 28.504,192 28.504,193 26.127,194 37.861,195 16.181,196 29.41,197 22.985,198 22.985,199 22.985,200 22.985,201 22.985,202 18.992,203 45.146,204 7.435,205 24.48,206 4.253,207 1.878,208 0.759,209 0.539,210 0.539,211 0.539,212 4.492,213 2,216 1,217 1498,218 5.05,220 637.216,223 2.58,224 96.277,226 0.75,227 0.67,228 0.83,229 0.9,230 0.5,231 0.83,232 0.78,233 100.167,234 715,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.055,251 11.14,252 3.002,253 4.369,254 3.82,255 6.611,256 4.019,257 3.055,258 3.75,259 2.035,260 10.47,261 2.898,262 4.102,263 3.729,264 6.339,265 3.921,266 2.942,267 3.288,268 1.943,269 9.436,270 2.832,271 3.964,272 3.542,273 6.013,274 3.693,275 2.732,276 3.258,277 1.058,278 8.513,279 2.615,280 3.916,281 3.286,282 5.993,283 3.563,284 2.618,285 3.087,286 0.933,287 8.351,288 2.422,289 3.733,290 3.175,291 5.712,292 3.327,293 2.343,294 3.017,295 0.736,296 7.604,297 2.303,298 3.447,299 2.736,300 5.06,301 3.021,302 2.127,303 2.749,304 0.51,305 5.902,306 1.919,307 3.296,308 2.641,309 4.979,310 2.895,311 1.959,312 2.385,313 0.079,314 5.587,315 1.75,316 3.237,317 2.467,318 4.969,319 2.832,320 1.863,321 2.149,322 5.404,323 1.71,324 3.088,325 2.402,326 4.61,327 2.514,328 1.569,329 2.013,330 4.608,331 1.478,332 2.902,333 2.115,334 4.591,335 2.45,336 1.566,337 1.987,338 4.428,339 1.355,340 2.852,341 2.025,342 4.212,343 2.383,344 1.431,345 1.791,346 3.798,347 1.314,348 2.608,349 2.013,350 4.079,351 2.207,352 1.211,353 1.574,354 3.226,355 1.188,356 2.582,357 1.837,358 3.637,359 1.984,360 1,361 1.19,362 2.275,363 0.983,364 20.552,365 0.467,366 1.515,367 0.034,368 51.5,369 1.17,370 23,371 0.523,372 28.5,373 0.648,374 48.654,375 1.106,376 49.048,377 0.691,378 55.219,379 1.255,380 10.47,381 0.238,382 10.272,383 0.233,384 0.244,385 0.024,386 0.38,387 3,389 0.649,390 1.091,391 0.562,392 0.992,393 0.589,394 0.897,395 0.612,396 0.73,397 0.621,398 0.736,399 0.447,400 0.771,401 0.708,402 0.971,403 0.859,404 1.087,405 0.674,406 1.065,407 1.024,408 0.912,409 0.898,410 0.905,411 1.058,412 0.959,413 0.975,414 0.828,415 0.96,416 0.91,417 0.966,418 0.939,419 0.712,420 0.875,421 0.885,422 1.032,423 0.689,424 0.972,425 0.83,426 0.972,427 0.851,428 0.952,429 0.811,430 0.874,431 0.777,432 0.811,433 0.913,434 0.909,435 0.815,436 0.966,437 11.5,438 0.45,439 6.889,440 4.063,441 3.324,442 2.451,443 1.629,444 1.314,445 0.801,446 0.555,447 31555,448 123668,449 1.949,450 38,452 20,455 2,456 1,457 4,458 1.824,459 1.754,460 3.916,461 0.194,465 134.679,466 1.897,467 4.272,468 5.391,469 5.611,470 5.611,471 5.611,472 3.409,473 5.079,474 5.426,475 4.122,476 3898.96,477 9.621,478 71689.6,483 436.632,484 1.695,485 5.341,486 0.245,487 0.009,488 0.1,489 0.052,490 0.043,491 0.032,492 0.021,493 0.018,494 0.011,495 0.01,496 0.54,497 0.33,498 0.88,499 1.148,500 255.321,501 -0.057,502 -0.099,503 0.004,504 -0.027,505 -0.049,506 0.006,507 0.191,508 0.307,509 0.098,510 0.216,511 0.25,512 0.155,513 -0.023,514 -0.114,515 -0.046,516 -0.111,517 0.007,518 -0.091,519 -0.126,520 -0.027,521 -0.023,522 0.053,523 -0.105,524 0.025,525 -0.109,526 -0.005,527 -0.003,528 0.057,529 -0.11,530 0.049,531 0.116,532 -0.066,533 0.164,534 -0.031,535 0.111,536 0.053,537 0.021,538 -0.108,539 0.157,540 0.032,541 0.048,542 0.162,543 0.216,544 0.128,545 0.068,546 0.055,547 0.235,548 -0.011,549 5.96,550 6.215,551 0.545,552 59.093,553 1.037,554 1.137,555 2.68,556 7.184,557 0.683,558 3.871,559 4.248,560 4.511,561 4.745,562 5.004,563 5.147,564 5.273,565 5.371,566 5.447,567 5.545,568 9.177,569 0.674,570 651.51,571 3.871,572 5.451,573 6.312,574 7.212,575 8.093,576 8.995,577 9.884,578 10.788,579 11.682,580 12.587,581 5.6,584 3,586 1,589 5,592 7,594 12,597 1,599 2,600 71,601 18,602 2,603 47,605 74,606 30,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 1,616 2,617 1,618 1,619 2,620 1,621 19,622 10,623 1,624 5,625 3,626 1,628 6,631 3,633 27,634 12,635 2,636 14,637 2,639 4,641 1,642 5,647 4,650 1,652 1,653 2,654 2,655 2,660 1,661 4,663 2,664 2,665 3,667 44,668 1,669 6,670 1,671 1,672 1,673 2,674 1,675 1,676 1,677 1,678 5,679 7,680 1,681 3,682 1,684 25.083,685 13.514,686 9.611,687 4.052,688 3.018,689 1.353,690 0.945,691 10.455,692 11.57,693 4.111,694 4.673,695 5.212,696 5.728,697 6.268,698 6.61,699 6.985,700 7.344,701 7.692,702 7.976,703 0.909,704 78,705 17.111,706 8.182,707 8.386,708 29.597,709 24.33,710 2.886,711 126.972,714 294.278,715 159.462,716 55.319,717 78.297,718 129.118,719 44.88,721 159.462,722 501.693,723 100.199,724 19.279,725 40.238,726 56.857,727 162.59,728 102.054,730 294.278,731 86.057,732 294.278,733 214.781,734 173.998,735 78.297,737 247.193,738 210.083,739 11,741 79.057,742 123.491,743 90.53,745 339.158,746 184.437,747 237.759,749 302.037,750 58.964,751 82.386,752 34.612,753 283.355,754 294.278,755 229.317,756 237.759,758 0.596,759 0.352,760 0.18,761 0.099,762 31,763 18,764 0.095,765 7,767 1,768 4.887,769 460.779,771 24,772 231.46,773 33.515,774 13.726,775 7.48,777 229.317,778 5.323,781 -1.305,783 60.694,784 761.354,785 60,786 38.203,787 1.24,789 -1.957,790 73.6,791 80.76,792 0.308,793 0.695,794 0.877,795 0.912,796 0.912,797 0.912,798 5.412,799 2.127,800 6.358,801 7.604,802 4.934,803 5.361,804 3.87,805 7.235,806 4.825,807 6.651,808 1.959,809 7.976,810 5.902,811 4.796,812 5.345,813 4.063,814 8.373,815 4.575,816 7.99,817 1.863,818 9.697,819 5.587,820 6.637,821 7.522,822 5.73,823 11.424,824 6.437,825 9.359,826 1.569,827 11.476,828 5.404,829 7.252,830 8.254,831 6.747,832 13.318,833 6.951,834 10.757,835 1.566,836 13.29,837 4.608,838 8.643,839 9.987,840 8.149,841 15.947,842 8.341,843 12.175,844 1.431,845 15.129,846 4.428,847 9.571,848 11.058,849 9.407,850 18.143,851 9.185,852 13.608,853 1.211,854 16.985,855 3.798,856 10.807,857 12.618,858 10.759,859 20.634,860 10.399,861 3.347,862 1,863 18.855,864 3.226,865 11.868,866 13.858,867 12.08,868 22.96,869 11.39,870 3.209,871 11.766,872 20.735,873 2.275,874 13.052,875 15.344,876 13.423,877 25.404,878 12.537,879 3.055,880 11.14,881 22.624,882 4.268,883 14.172,884 16.671,885 14.759,886 27.787,887 13.596,888 2.942,889 10.47,890 24.52,891 4.122,892 15.341,893 18.125,894 16.102,895 30.22,896 14.721,897 2.732,898 9.436,899 26.422,900 3.75,901 16.489,902 19.5,903 17.442,904 32.63,905 15.812,906 2.618,907 8.513,908 28.33,909 3.288,910 17.656,911 20.94,912 18.783,913 35.062,914 16.932,915 2.343,916 8.351,917 30.241,918 3.258,919 18.818,920 22.342,921 20.125,922 37.487,923 18.04,924 30981,925 61734,926 29.361,927 48.483,928 73.798,929 76.789,930 75.543,931 71.713,932 71.216,933 87.659,934 26.349,935 216.134,936 66.837,937 5.641,938 6.461,939 6.894,940 5.304,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 32.195,947 1.57,948 1.634,949 1.607,950 1.526,951 1.515,952 1.865,953 0.561,954 4.599,955 1.422,956 4.061,957 4.081,958 4.104,959 3.998,960 8.513,961 4,962 3.934,963 3.966,964 4.01,965 3.868,966 7.999,967 3.867,968 3.887,969 3.92,970 3.812,971 3.743,972 7.999,973 3.748,974 3.732,975 3.76,976 3.754,977 3.614,978 7.432,979 3.628,980 3.601,981 3.635,982 3.559,983 3.357,984 7.427,985 3.393,986 3.45,987 3.508,988 3.549,989 3.224,990 7.425,991 3.236,992 3.316,993 3.349,994 3.41,995 3.073,996 6.818,997 3.095,998 3.208,999 3.257,1000 3.294,1001 3.045,1002 6.468,1003 3.079,1004 0.099,1005 0.095,1006 0.152,1007 0.091,1008 0.071,1009 4.641,1010 0.091,1011 4.461,1012 0.081,1013 7.125,1014 0.25,1015 4.262,1016 0.068,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.055,1025 2.077,1026 1.412,1027 2.072,1028 1.904,1029 1.887,1030 2.032,1031 2.042,1032 1.225,1033 2.041,1034 1.847,1035 1.8,1036 1.957,1037 1.97,1038 1.144,1039 1.971,1040 1.67,1041 1.647,1042 1.765,1043 1.83,1044 0.898,1045 1.808,1046 1.495,1047 1.453,1048 1.692,1049 1.75,1050 0.825,1051 1.729,1052 1.386,1053 1.325,1054 1.65,1055 1.655,1056 0.804,1057 1.657,1058 1.153,1059 1.112,1060 1.513,1061 1.414,1062 0.742,1063 1.429,1064 1.152,1065 1.064,1066 1.452,1067 1.404,1068 0.571,1069 1.426,1070 4.554,1071 5.916,1073 7.468,1075 9.105,1077 10.788,1079 2.992,1080 12.562,1081 40.345,1083 11.224,1084 1.631,1085 2.479,1086 4.886,1087 -0.345,1088 3.059,1089 -4.71,1090 9.641,1091 1.704,1092 47.84,1093 134.679,1094 303.292,1095 382.758,1096 398.367,1097 398.367,1098 398.367,1099 192.857,1100 8.552,1101 126.73,1102 126.73,1103 24,1104 13.108,1105 4.248,1106 3.807,1107 85.207,1108 239,1109 312,1110 0.171,1111 298.33,1112 558.58,1113 719.684,1114 71030,1115 7,1116 32.344,1117 0.735,1118 0.571,1119 30.844,1120 25.108,1121 20.743,1122 0.441,1123 0.3,1124 13.121,1125 19.114,1126 12.769,1127 10.466,1128 20.109,1129 14.083,1130 19.834,1131 0.287,1132 0.162,1133 18.656,1134 11.192,1135 16.119,1136 0.179,1137 0.089,1138 15.751,1139 7.969,1140 12.859,1141 0.113,1142 0.049,1143 12.854,1144 5.614,1145 10.258,1146 0.069,1147 0.027,1148 10.663,1149 3.965,1150 0.271,1151 138.569,1152 0.185,1153 38.693,1154 0.46,1155 232,1156 973.1,1157 298.26,1158 908.391,1159 1150.84,1160 834,1161 275,1162 737.336,1163 326.234,1164 750.506,1165 1114.76,1166 698,1167 7.194}
{0 CHEMBL234358,1 1.817,2 15.405,3 5.578,4 31.116,5 158.248,6 8.754,7 0.267,8 4.358,9 4.464,10 4.036,11 3.914,12 5.549,13 3.904,14 4.933,15 5.098,16 4.496,17 4.335,18 6.392,19 4.307,20 5.214,21 5.394,22 4.62,23 4.548,24 6.424,25 4.496,26 5.381,27 5.589,28 4.655,29 4.577,30 6.666,31 4.521,32 5.352,33 5.555,34 4.707,35 4.588,36 6.602,37 4.526,38 5.383,39 5.593,40 4.812,41 4.572,42 6.788,43 4.514,44 5.303,45 5.517,46 4.668,47 4.463,48 6.656,49 4.429,50 5.181,51 5.343,52 4.677,53 4.395,54 6.893,55 4.367,56 0.213,57 1.197,58 10.907,59 6.605,60 41.114,61 7.571,62 1.084,63 2.284,64 26.227,65 11.388,66 166.077,67 13.692,68 0.761,69 2.333,70 39.348,71 16.026,72 104.441,73 19.613,74 1.467,75 2.599,76 52.315,77 18.226,78 231.117,79 21.669,80 1.277,81 2.49,82 52.438,83 18.217,84 183.61,85 22.245,86 1.656,87 2.382,88 60.822,89 19.159,90 254.294,91 23.59,92 1.327,93 2.423,94 54.128,95 16.943,96 205.45,97 20.259,98 1.753,99 2.268,100 40.65,101 13.96,102 325.977,103 15.951,104 132,105 66,106 0.283,107 0.642,108 0.809,109 0.857,110 0.869,111 0.869,112 3.765,113 0.942,114 -5.06,115 -4.96,116 -4.65,118 42.3,119 1,120 3,121 1,122 1,123 4,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 3,143 12,144 1,145 8,146 1,147 5,148 16,150 9,152 4,153 15,154 1,155 7,156 2,157 1,158 3,159 15,160 2,161 6,163 5,164 14,166 10,167 3,169 6,170 12,172 11,174 4,175 13,176 1,177 7,178 2,179 4,180 11,182 5,183 1,185 3,186 11,187 3832,188 27.297,189 27.297,190 27.297,191 27.297,192 27.297,193 25.05,194 36.683,195 15.542,196 28.057,197 22.023,198 22.023,199 22.023,200 22.023,201 22.023,202 18.303,203 45.731,204 7.16,205 23.402,206 4.332,207 2.023,208 0.953,209 0.645,210 0.567,211 0.567,212 4.448,213 2,216 1,217 1359,218 4.743,220 599.631,223 2.452,224 84.169,226 0.75,227 0.83,228 0.83,229 0.9,230 0.5,231 0.83,232 0.81,233 94.167,234 647,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.035,251 11.14,252 3.002,253 4.369,254 3.815,255 6.611,256 4.018,257 3.054,258 3.75,259 1.943,260 10.47,261 2.89,262 4.089,263 3.542,264 6.335,265 3.906,266 2.922,267 3.285,268 1.058,269 9.418,270 2.83,271 3.962,272 3.286,273 5.994,274 3.567,275 2.625,276 3.25,277 0.8,278 8.359,279 2.426,280 3.738,281 3.175,282 5.715,283 3.428,284 2.491,285 3.023,286 0.736,287 7.628,288 2.345,289 3.509,290 2.84,291 5.364,292 3.289,293 2.317,294 2.752,295 0.079,296 6.957,297 2.233,298 3.432,299 2.735,300 5.002,301 2.986,302 2.109,303 2.503,305 5.856,306 1.82,307 3.292,308 2.627,309 4.979,310 2.833,311 1.878,312 2.385,314 5.476,315 1.749,316 3.235,317 2.412,318 4.962,319 2.816,320 1.863,321 2.088,322 5.404,323 1.692,324 2.965,325 2.153,326 4.6,327 2.452,328 1.569,329 2.012,330 4.608,331 1.424,332 2.901,333 2.024,334 4.591,335 2.439,336 1.465,337 1.867,338 4.38,339 1.316,340 2.785,341 1.945,342 4.08,343 2.21,344 1.214,345 1.774,346 3.227,347 1.191,348 2.602,349 1.584,350 3.667,351 2.107,352 1.121,353 1.205,354 2.275,355 1.103,356 2.244,357 1.506,358 3.449,359 1.984,360 1,361 1.146,362 2.225,363 0.983,364 19.886,365 0.473,366 1.426,367 0.034,368 48.25,369 1.149,370 21.5,371 0.512,372 26.75,373 0.637,374 48.015,375 1.143,376 46.714,377 0.658,378 49.322,379 1.174,380 9.366,381 0.223,382 10.466,383 0.249,384 0.236,385 0.025,386 0.367,387 3,389 0.613,390 1.075,391 0.581,392 0.973,393 0.579,394 0.91,395 0.493,396 0.764,397 0.609,398 0.8,399 0.387,400 0.829,401 0.684,402 0.952,403 0.815,404 1.056,405 0.584,406 1.017,407 0.996,408 0.864,409 0.86,410 0.851,411 0.97,412 0.905,413 0.797,414 0.864,415 0.873,416 0.973,417 0.814,418 0.957,419 0.644,420 0.841,421 0.808,422 0.985,423 0.663,424 0.897,425 0.979,426 0.962,427 0.863,428 0.903,429 0.947,430 0.81,431 0.908,432 0.883,433 0.976,434 0.979,435 0.906,436 1.022,437 11,438 0.434,439 6.222,440 3.688,441 3.284,442 2.389,443 1.568,444 1.224,445 0.776,446 0.515,447 27413,448 94165,449 1.96,450 40.8,451 3,452 17,455 2,456 1,457 6,458 1.814,459 1.768,460 3.837,461 0.173,465 129.034,466 1.817,467 4.127,468 5.197,469 5.505,470 5.583,471 5.583,472 3.384,473 4.833,474 5.359,475 4.034,476 3472.9,477 9.494,478 61054.6,483 436.632,484 1.696,485 5.277,486 0.244,487 0.009,488 0.094,489 0.05,490 0.045,491 0.032,492 0.021,493 0.017,494 0.012,495 0.009,496 0.534,497 0.17,498 0.88,499 1.035,500 239.488,501 -0.046,502 -0.078,503 0.004,504 -0.002,505 -0.047,506 0.016,507 0.261,508 0.279,509 0.109,510 0.154,511 0.3,512 0.113,513 -0.029,514 -0.12,515 0.013,516 -0.082,517 0.038,518 -0.024,519 -0.091,520 0.012,521 0.014,522 0.101,523 -0.055,524 0.073,525 -0.002,526 -0.04,527 0.071,528 0.004,529 -0.027,530 0.046,531 0.188,532 -0.057,533 0.242,534 0.009,535 0.156,536 0.127,537 -0.04,538 -0.089,539 0.145,540 0.069,541 -0.005,542 0.186,543 0.207,544 0.096,545 0.001,546 -0.019,547 0.261,548 -0.108,549 5.938,550 6.187,551 0.571,552 53.415,553 1.026,554 1.137,555 3.833,556 14.69,557 0.681,558 3.829,559 4.205,560 4.466,561 4.71,562 4.977,563 5.112,564 5.231,565 5.333,566 5.412,567 5.513,568 8.667,569 0.661,570 621.53,571 3.829,572 5.407,573 6.267,574 7.168,575 8.049,576 8.952,577 9.842,578 10.747,579 11.641,580 12.547,581 5.6,583 1,584 2,586 1,589 5,592 7,594 12,597 1,599 2,600 71,601 17,602 2,603 45,605 74,606 30,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 2,616 2,617 1,618 1,619 3,620 1,621 18,622 11,623 1,624 4,625 2,626 1,628 5,631 3,633 29,634 10,635 2,636 12,637 2,639 4,641 1,642 3,647 4,650 1,652 1,653 1,654 2,655 2,657 1,661 4,663 2,664 2,665 3,667 42,668 1,669 7,670 1,672 1,673 2,674 1,675 1,676 1,677 1,678 5,679 4.2,680 1,681 2,684 23.75,685 13.431,686 9.167,687 4.436,688 2.966,689 1.352,690 0.953,691 9.953,692 11.399,693 4.06,694 4.625,695 5.173,696 5.705,697 6.257,698 6.596,699 6.969,700 7.336,701 7.687,702 7.97,703 1,704 74,705 16.341,706 7.797,707 8.269,708 28.727,709 23.864,710 2.769,711 116.306,714 317.82,715 152.747,716 55.319,717 78.297,718 92.973,719 44.88,721 152.747,722 489.09,723 100.199,724 17.222,725 37.161,726 56.857,727 121.741,728 105.179,730 317.82,731 86.057,732 317.82,733 208.066,734 137.854,735 78.297,737 247.193,738 208.48,741 87.93,742 107.903,743 90.53,745 362.7,746 148.292,747 231.045,749 325.579,750 54.307,751 80.328,752 34.612,753 247.21,754 317.82,755 193.172,756 231.045,758 0.595,759 0.35,760 0.181,761 0.102,762 30,763 17,764 0.095,765 7,767 1,768 4.749,769 434.972,771 24,772 217.722,773 31.912,774 13.099,775 7.149,777 193.172,778 5.476,781 -1.004,783 60.694,784 742.037,785 57,786 26.092,787 1.273,789 -1.533,790 72.829,791 80.757,792 0.296,793 0.671,794 0.845,795 0.895,796 0.908,797 0.908,798 5.361,799 2.109,800 6.312,801 6.957,802 4.89,803 5.313,804 3.678,805 7.188,806 4.781,807 6.599,808 1.878,809 7.928,810 5.856,811 4.745,812 5.286,813 3.994,814 8.326,815 4.506,816 7.938,817 1.863,818 9.647,819 5.476,820 6.592,821 7.479,822 5.642,823 11.378,824 6.387,825 9.306,826 1.569,827 11.424,828 5.404,829 7.201,830 8.206,831 6.717,832 13.276,833 6.884,834 10.704,835 1.465,836 13.238,837 4.608,838 8.597,839 9.953,840 8.121,841 15.909,842 8.287,843 12.123,844 1.214,845 15.078,846 4.38,847 9.523,848 11.024,849 9.396,850 18.112,851 9.124,852 13.558,853 1.121,854 16.935,855 3.227,856 10.763,857 12.594,858 10.752,859 20.607,860 10.346,861 3.347,862 1,863 18.806,864 2.275,865 11.825,866 13.836,867 12.076,868 22.938,869 11.336,870 3.209,871 11.766,872 20.689,873 2.225,874 13.012,875 15.328,876 13.421,877 25.387,878 12.49,879 3.054,880 11.14,881 22.581,882 4.268,883 14.135,884 16.658,885 14.758,886 27.774,887 13.55,888 2.922,889 10.47,890 24.48,891 4.122,892 15.307,893 18.115,894 16.101,895 30.209,896 14.68,897 2.625,898 9.418,899 26.385,900 3.75,901 16.457,902 19.492,903 17.441,904 32.622,905 15.774,906 2.491,907 8.359,908 28.296,909 3.285,910 17.628,911 20.934,912 18.783,913 35.056,914 16.898,915 2.317,916 7.628,917 30.211,918 3.25,919 18.792,920 22.337,921 20.124,922 37.482,923 18.01,924 26851,925 50482,926 28.263,927 48.336,928 70.456,929 72.987,930 72.055,931 68.511,932 67.979,933 83.367,934 20.953,935 206.225,936 63.85,937 5.641,938 6.461,939 6.895,940 5.304,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 29.701,947 1.566,948 1.622,949 1.601,950 1.522,951 1.511,952 1.853,953 0.466,954 4.583,955 1.419,956 4.061,957 4.081,958 4.104,959 3.998,960 8.513,961 4,962 3.934,963 3.969,964 4.01,965 3.868,966 7.999,967 3.867,968 3.886,969 3.923,970 3.799,971 3.748,972 7.999,973 3.75,974 3.731,975 3.762,976 3.754,977 3.614,978 7.431,979 3.628,980 3.606,981 3.667,982 3.549,983 3.431,984 7.426,985 3.425,986 3.456,987 3.535,988 3.526,989 3.262,990 6.818,991 3.264,992 3.316,993 3.349,994 3.39,995 3.076,996 6.468,997 3.096,998 3.203,999 3.251,1000 3.274,1001 3.046,1002 4.929,1003 3.081,1004 0.103,1005 0.099,1006 0.158,1007 0.095,1008 0.074,1009 4.641,1010 0.095,1011 4.461,1012 0.085,1013 7.125,1014 0.261,1015 4.262,1016 0.071,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.069,1025 2.078,1026 1.43,1027 2.075,1028 1.904,1029 1.887,1030 2.038,1031 2.046,1032 1.227,1033 2.05,1034 1.856,1035 1.805,1036 1.96,1037 1.972,1038 1.152,1039 1.973,1040 1.672,1041 1.648,1042 1.878,1043 1.837,1044 1.132,1045 1.835,1046 1.593,1047 1.525,1048 1.76,1049 1.776,1050 0.894,1051 1.786,1052 1.425,1053 1.352,1054 1.657,1055 1.662,1056 0.825,1057 1.67,1058 1.153,1059 1.112,1060 1.513,1061 1.405,1062 0.754,1063 1.429,1064 1.15,1065 1.064,1066 1.409,1067 1.376,1068 0.62,1069 1.371,1070 4.511,1071 5.872,1073 7.424,1075 9.062,1077 10.746,1079 3.754,1080 12.587,1081 40.312,1083 11.221,1084 5.236,1085 2.508,1087 -0.14,1088 3.85,1089 -4.688,1090 9.639,1091 1.724,1092 46.937,1093 129.034,1094 293.009,1095 368.983,1096 390.858,1097 396.367,1098 396.367,1099 169.11,1100 8.432,1101 100.43,1102 100.43,1103 24,1104 13.067,1105 4.17,1106 3.7,1107 79.029,1108 215,1109 290,1110 0.176,1111 293.265,1112 543.64,1113 707.326,1114 60324,1115 7,1116 30.767,1117 0.733,1118 0.583,1119 29.267,1120 24.498,1121 19.832,1122 0.441,1123 0.314,1124 13.224,1125 18.425,1126 12.862,1127 10.588,1128 19.198,1129 14.128,1130 18.963,1131 0.287,1132 0.17,1133 17.784,1134 11.22,1135 15.343,1136 0.178,1137 0.093,1138 14.974,1139 7.981,1140 12.339,1141 0.112,1142 0.052,1143 12.334,1144 5.743,1145 10.038,1146 0.07,1147 0.028,1148 10.443,1149 4.083,1150 0.278,1151 131.358,1152 0.188,1153 37.156,1154 0.48,1155 222,1156 865.629,1157 283.499,1158 816.979,1159 1042.28,1160 750,1161 263,1162 676.268,1163 309.583,1164 689.095,1165 1028.23,1166 644,1167 7.432}
{0 CHEMBL234421,1 1.795,2 17.149,3 6.092,4 37.109,5 174.449,6 8.62,7 0.235,8 4.479,9 4.583,10 4.148,11 4.045,12 5.647,13 4.032,14 5.073,15 5.232,16 4.61,17 4.488,18 6.478,19 4.452,20 5.395,21 5.584,22 4.741,23 4.699,24 6.569,25 4.639,26 5.533,27 5.739,28 4.767,29 4.694,30 6.82,31 4.642,32 5.469,33 5.663,34 4.806,35 4.695,36 6.731,37 4.643,38 5.514,39 5.718,40 4.893,41 4.72,42 6.871,43 4.652,44 5.501,45 5.733,46 4.759,47 4.641,48 6.788,49 4.575,50 5.376,51 5.575,52 4.758,53 4.537,54 6.963,55 4.488,56 0.218,57 1.322,58 12.674,59 7.604,60 46.389,61 8.773,62 1.125,63 2.544,64 29.769,65 13.525,66 177.313,67 16.412,68 0.873,69 2.695,70 48.307,71 19.426,72 134.339,73 24.207,74 1.728,75 2.927,76 61.322,77 20.782,78 285.788,79 24.568,80 1.495,81 2.768,82 58.012,83 19.786,84 226.325,85 23.613,86 1.751,87 2.749,88 66.253,89 21.797,90 276.51,91 26.826,92 1.523,93 2.857,94 66.149,95 21.403,96 249.37,97 27.078,98 1.915,99 2.614,100 53.656,101 17.694,102 358.889,103 21.792,104 126,105 75,106 0.272,107 0.601,108 0.759,109 0.839,110 0.857,111 0.857,112 3.874,113 0.949,114 -5.37,115 -5.25,116 -4.91,118 42.5,120 7,121 2,122 1,123 3,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 4,143 17,144 2,145 9,146 1,147 5,148 22,150 12,152 4,153 18,154 1,155 13,156 2,157 1,158 3,159 15,160 2,161 9,163 5,164 16,166 10,167 3,169 6,170 17,171 2,172 11,174 4,175 17,176 1,177 9,178 2,179 4,180 12,182 10,183 1,185 3,186 11,187 5170,188 30.703,189 30.703,190 30.703,191 30.703,192 30.703,193 28.35,194 38.477,195 17.433,196 31.436,197 25.003,198 25.003,199 25.003,200 25.003,201 25.003,202 21.036,203 46.886,204 8.128,205 26.314,206 4.527,207 2.355,208 1.315,209 0.788,210 0.669,211 0.669,212 4.566,213 2,216 1,217 1725,218 4.899,220 872.014,223 2.748,224 96.476,226 0.75,227 0.83,228 0.83,229 0.9,230 0.5,231 0.83,232 0.81,233 105.167,234 806,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.035,251 11.14,252 3.004,253 4.369,254 3.836,255 6.611,256 4.024,257 3.057,258 3.75,259 1.943,260 10.47,261 2.943,262 4.143,263 3.796,264 6.405,265 3.973,266 2.995,267 3.305,268 1.94,269 9.707,270 2.854,271 4.045,272 3.542,273 6.317,274 3.854,275 2.865,276 3.276,277 1.058,278 9.359,279 2.818,280 3.962,281 3.286,282 5.994,283 3.565,284 2.621,285 3.218,286 0.736,287 8.358,288 2.424,289 3.735,290 3.175,291 5.714,292 3.349,293 2.368,294 3.021,295 0.555,296 7.615,297 2.317,298 3.45,299 2.736,300 5.275,301 3.204,302 2.244,303 2.75,304 0.079,305 6.46,306 2.152,307 3.306,308 2.643,309 5.015,310 2.985,311 2.101,312 2.385,314 5.848,315 1.847,316 3.272,317 2.511,318 4.979,319 2.841,320 1.887,321 2.293,322 5.478,323 1.75,324 3.231,325 2.408,326 4.966,327 2.83,328 1.863,329 2.085,330 5.404,331 1.703,332 2.984,333 2.198,334 4.604,335 2.504,336 1.569,337 2.012,338 4.608,339 1.488,340 2.901,341 2.088,342 4.591,343 2.45,344 1.517,345 1.907,346 4.388,347 1.391,348 2.821,349 2.024,350 4.081,351 2.405,352 1.429,353 1.784,354 3.316,355 1.316,356 2.603,357 1.84,358 3.926,359 2.208,360 1.211,361 1.523,362 3.225,363 1.189,364 22.219,365 0.473,366 1.567,367 0.033,368 53,369 1.128,370 23,371 0.489,372 30,373 0.638,374 56.87,375 1.21,376 52.181,377 0.652,378 54.95,379 1.169,380 9.892,381 0.21,382 12.385,383 0.264,384 0.203,385 0.023,386 0.374,387 3,389 0.596,390 1.065,391 0.587,392 0.976,393 0.557,394 0.912,395 0.453,396 0.808,397 0.629,398 0.884,399 0.389,400 0.909,401 0.665,402 0.954,403 0.795,404 1.069,405 0.595,406 1.026,407 1.094,408 0.868,409 0.891,410 0.848,411 1.094,412 0.904,413 0.946,414 0.86,415 0.937,416 0.94,417 0.964,418 0.95,419 0.665,420 0.874,421 0.862,422 1.034,423 0.665,424 0.983,425 0.773,426 0.935,427 0.807,428 0.936,429 0.732,430 0.87,431 0.772,432 0.833,433 0.856,434 0.919,435 0.763,436 0.933,437 11.5,438 0.483,439 7.111,440 4.375,441 3.516,442 2.437,443 1.647,444 1.366,445 0.863,446 0.579,447 40813,448 133654,449 1.998,450 41.3,451 10,452 15,455 2,456 2,457 4,458 1.837,459 1.814,460 4.008,461 0.137,465 143.561,466 1.795,467 3.967,468 5.007,469 5.534,470 5.653,471 5.653,472 3.489,473 5.198,474 5.523,475 4.228,476 4570.23,477 9.804,478 89393.2,483 505.754,484 1.669,485 5.449,486 0.225,487 0.008,488 0.095,489 0.052,490 0.043,491 0.029,492 0.02,493 0.018,494 0.012,495 0.009,496 0.511,497 0.17,498 0.75,499 0.802,500 279.17,501 -0.04,502 -0.058,503 0.007,504 0.011,505 -0.029,506 0.026,507 0.265,508 0.235,509 0.086,510 0.087,511 0.271,512 0.046,513 -0.011,514 -0.133,515 0.038,516 -0.09,517 0.037,518 -0.019,519 -0.127,520 0.004,521 -0.004,522 0.096,523 -0.097,524 0.063,525 -0.072,526 -0.013,527 0.01,528 0.027,529 -0.083,530 0.026,531 0.149,532 -0.063,533 0.162,534 -0.04,535 0.13,536 0.033,537 0.063,538 -0.091,539 0.182,540 0.043,541 0.085,542 0.159,543 0.231,544 0.082,545 0.13,546 0.045,547 0.257,548 0.036,549 5.955,550 6.416,551 0.638,552 67.83,553 1.024,554 1.135,555 4.136,556 17.103,557 0.679,558 3.951,559 4.331,560 4.605,561 4.844,562 5.106,563 5.226,564 5.361,565 5.468,566 5.553,567 5.656,568 9.871,569 0.659,570 689.61,571 3.951,572 5.533,573 6.399,574 7.298,575 8.181,576 9.081,577 9.971,578 10.873,579 11.766,580 12.67,581 5,584 3,586 1,589 5,592 7,594 12,597 1,599 2,600 80,601 18,602 2,603 51,605 84,606 34,607 12,608 7,609 5,610 5,611 5,612 5,613 2,615 1,616 7,617 2,618 1,619 7,620 1,621 19,622 14,623 2,624 5,625 3,626 1,628 6,631 3,633 33,634 11,635 2,636 13,637 2,639 4,641 1,642 4,647 5,650 1,652 1,653 2,654 2,655 2,661 5,663 1,664 2,665 3,667 47,668 1,669 10,670 1,672 2,673 2,674 1,675 1,676 1,677 1,678 5,679 5,680 1,681 3,684 25.917,685 14.681,686 10.139,687 5.094,688 2.995,689 1.336,690 0.96,691 10.732,692 11.92,693 4.174,694 4.727,695 5.265,696 5.77,697 6.302,698 6.631,699 7.004,700 7.359,701 7.705,702 7.987,703 1,704 84,705 18.312,706 8.816,707 8.241,708 32.488,709 27.635,710 2.741,711 128.806,714 364.904,715 156.659,716 55.319,717 78.297,718 118.118,719 44.88,721 156.659,722 561.32,723 100.199,724 8.396,725 48.318,726 56.857,727 151.591,728 102.054,730 364.904,731 86.057,732 364.904,733 211.978,734 162.998,735 78.297,737 317.82,738 210.083,741 87.137,742 112.608,743 90.53,745 409.785,746 173.437,747 234.957,749 372.664,750 67.044,751 71.502,752 34.612,753 272.355,754 364.904,755 218.317,756 234.957,758 0.599,759 0.355,760 0.182,761 0.101,762 35,763 19,764 0.071,765 6,767 1,768 5.198,769 509.19,771 30,772 248.311,773 34.982,774 14.419,775 7.708,777 218.317,778 5.404,781 -1.193,783 60.694,784 818.178,785 64,786 39.344,787 1.258,789 -1.529,790 81.923,791 90.796,792 0.284,793 0.628,794 0.792,795 0.875,796 0.894,797 0.894,798 5.481,799 2.244,800 6.438,801 7.615,802 5.017,803 5.416,804 3.813,805 7.311,806 4.926,807 6.709,808 2.101,809 8.052,810 6.46,811 4.844,812 5.373,813 4.063,814 8.432,815 4.635,816 8.043,817 1.887,818 9.769,819 5.848,820 6.713,821 7.556,822 5.704,823 11.493,824 6.538,825 9.407,826 1.863,827 11.545,828 5.478,829 7.307,830 8.28,831 6.743,832 13.379,833 7.029,834 10.802,835 1.569,836 13.358,837 5.404,838 8.713,839 10.011,840 8.139,841 16.011,842 8.442,843 12.217,844 1.517,845 15.195,846 4.608,847 9.628,848 11.079,849 9.404,850 18.201,851 9.274,852 13.649,853 1.429,854 17.05,855 4.388,856 10.871,857 12.636,858 10.756,859 20.69,860 10.501,861 3.347,862 1.211,863 18.919,864 3.316,865 11.926,866 13.874,867 12.078,868 23.01,869 11.486,870 3.209,871 11.766,872 20.798,873 3.225,874 13.112,875 15.357,876 13.422,877 25.452,878 12.64,879 3.057,880 11.14,881 22.686,882 4.268,883 14.228,884 16.683,885 14.759,886 27.83,887 13.695,888 2.995,889 10.47,890 24.581,891 4.122,892 15.397,893 18.135,894 16.101,895 30.258,896 14.823,897 2.865,898 9.707,899 26.481,900 3.75,901 16.541,902 19.509,903 17.441,904 32.664,905 15.911,906 2.621,907 9.359,908 28.387,909 3.305,910 17.708,911 20.947,912 18.783,913 35.092,914 17.031,915 2.368,916 8.358,917 30.297,918 3.276,919 18.867,920 22.347,921 20.125,922 37.513,923 18.137,924 38907,925 71276,926 32.539,927 54.313,928 80.238,929 83.403,930 81.386,931 78.288,932 77.674,933 94.107,934 24.344,935 235.175,936 73.744,937 5.641,938 6.461,939 6.927,940 5.304,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 31.95,947 1.573,948 1.635,949 1.596,950 1.535,951 1.523,952 1.845,953 0.477,954 4.611,955 1.446,956 4.066,957 4.088,958 4.105,959 4,960 8.513,961 4.002,962 3.949,963 3.99,964 4.01,965 3.869,966 7.999,967 3.867,968 3.915,969 3.938,970 3.849,971 3.808,972 7.999,973 3.806,974 3.816,975 3.867,976 3.755,977 3.691,978 7.432,979 3.685,980 3.728,981 3.756,982 3.698,983 3.613,984 7.426,985 3.625,986 3.533,987 3.592,988 3.549,989 3.307,990 7.424,991 3.33,992 3.32,993 3.364,994 3.491,995 3.134,996 6.818,997 3.143,998 3.308,999 3.347,1000 3.364,1001 3.066,1002 6.468,1003 3.092,1004 0.091,1005 0.087,1006 0.14,1007 0.084,1008 0.066,1009 4.641,1010 0.084,1011 4.461,1012 0.075,1013 7.125,1014 0.231,1015 4.262,1016 0.063,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.108,1025 2.082,1026 1.492,1027 2.086,1028 1.913,1029 1.888,1030 2.047,1031 2.063,1032 1.402,1033 2.064,1034 1.894,1035 1.856,1036 2.023,1037 1.996,1038 1.225,1039 2.009,1040 1.814,1041 1.763,1042 1.956,1043 1.955,1044 1.144,1045 1.964,1046 1.669,1047 1.646,1048 1.762,1049 1.822,1050 0.898,1051 1.803,1052 1.455,1053 1.392,1054 1.66,1055 1.696,1056 0.843,1057 1.686,1058 1.275,1059 1.222,1060 1.524,1061 1.495,1062 0.825,1063 1.503,1064 1.153,1065 1.105,1066 1.513,1067 1.404,1068 0.825,1069 1.429,1070 4.635,1071 5.999,1073 7.554,1075 9.193,1077 10.875,1079 1.596,1080 12.638,1081 40.485,1083 11.309,1084 7.187,1085 2.503,1087 -0.228,1088 3.335,1089 -4.705,1090 9.682,1091 1.721,1092 52.705,1093 143.561,1094 317.377,1095 400.577,1096 442.735,1097 452.244,1098 452.244,1099 188.638,1100 8.925,1101 117.5,1102 117.5,1103 30,1104 13.191,1105 4.248,1106 3.807,1107 82.217,1108 278,1109 320,1110 0.141,1111 325.309,1112 606.63,1113 785.515,1114 119407,1115 6.3,1116 34.043,1117 0.724,1118 0.577,1119 32.543,1120 27.105,1121 22.277,1122 0.437,1123 0.316,1124 15.223,1125 20.814,1126 14.884,1127 12.187,1128 21.643,1129 16.138,1130 21.326,1131 0.284,1132 0.174,1133 20.147,1134 13.039,1135 17.708,1136 0.179,1137 0.097,1138 17.339,1139 9.615,1140 14.169,1141 0.112,1142 0.055,1143 14.165,1144 6.978,1145 11.526,1146 0.07,1147 0.031,1148 11.931,1149 5.089,1150 0.226,1151 146.569,1152 0.175,1153 41.004,1154 0.375,1155 252,1156 949.365,1157 316.046,1158 894.885,1159 1144.88,1160 822,1161 300,1162 748.609,1163 349.241,1164 760.127,1165 1134.14,1166 712,1167 7}
{0 CHEMBL234608,1 1.861,2 13.237,3 6,4 35.996,5 139.556,6 9.407,7 0.293,8 4.205,9 4.298,10 3.939,11 3.802,12 5.448,13 3.799,14 4.764,15 4.896,16 4.41,17 4.23,18 6.328,19 4.204,20 5.072,21 5.247,22 4.516,23 4.411,24 6.333,25 4.363,26 5.166,27 5.357,28 4.541,29 4.375,30 6.555,31 4.341,32 5.087,33 5.267,34 4.588,35 4.338,36 6.469,37 4.317,38 5.044,39 5.197,40 4.699,41 4.321,42 6.654,43 4.315,44 5.01,45 5.176,46 4.567,47 4.268,48 6.507,49 4.27,50 5.009,51 5.163,52 4.583,53 4.237,54 6.811,55 4.22,56 0.257,57 1.022,58 7.346,59 5.454,60 52.169,61 5.716,62 1,63 2.029,64 17.327,65 9.983,66 177.917,67 11.092,68 0.864,69 2.013,70 33.169,71 14.206,72 143.068,73 16.701,74 1.421,75 2.179,76 39.907,77 14.748,78 237.179,79 16.16,80 1.266,81 1.971,82 39.286,83 13.449,84 204.231,85 14.645,86 1.477,87 1.833,88 39.823,89 12.995,90 231.537,91 13.625,92 1.102,93 2.011,94 31.868,95 12.669,96 186.642,97 13.353,98 1.679,99 1.971,100 32.212,101 12.053,102 326.431,103 12.828,104 86,105 60,106 0.299,107 0.671,108 0.787,109 0.857,110 0.871,111 0.871,112 3.668,113 0.921,114 -5.26,115 -5.15,116 -4.82,118 45,120 5,121 1,123 1,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 3,143 15,145 3,146 2,147 7,148 21,150 4,152 7,153 18,154 1,155 8,156 1,157 2,158 6,159 13,161 5,163 8,164 11,166 9,167 2,168 1,169 7,170 13,172 7,174 5,175 16,177 2,178 3,179 8,180 14,182 3,185 5,186 15,187 2880,188 24.772,189 24.772,190 24.772,191 24.772,192 24.772,193 22.501,194 27.636,195 14.155,196 25.366,197 20.118,198 20.118,199 20.118,200 20.118,201 20.118,202 16.368,203 31.721,204 6.601,205 21.236,206 4.046,207 1.726,208 1.006,209 0.571,210 0.479,211 0.479,212 4.353,213 2,216 1,217 1063,218 4.243,220 527.876,223 2.132,224 81.091,226 0.75,227 0.83,228 0.83,229 0.7,230 0.5,231 0.83,232 0.78,233 85.667,234 503,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.193,244 4.475,245 4.117,246 6.795,247 4.144,248 3.206,249 4.12,250 2.035,251 11.138,252 2.987,253 4.367,254 3.706,255 6.604,256 3.998,257 3.034,258 3.75,259 1.909,260 10.441,261 2.84,262 3.968,263 3.542,264 6.022,265 3.788,266 2.782,267 3.277,268 1.058,269 8.551,270 2.791,271 3.943,272 3.283,273 5.992,274 3.565,275 2.622,276 3.114,277 0.561,278 8.351,279 2.422,280 3.735,281 3.175,282 5.698,283 3.316,284 2.334,285 3.019,287 7.544,288 2.291,289 3.443,290 2.734,291 4.979,292 2.973,293 2.102,294 2.749,296 5.79,297 1.823,298 3.292,299 2.59,300 4.973,301 2.832,302 1.863,303 2.385,305 5.404,306 1.75,307 3.234,308 2.398,309 4.656,310 2.813,311 1.82,312 2.071,314 4.629,315 1.717,316 2.965,317 2.214,318 4.591,319 2.49,320 1.569,321 2.012,322 4.607,323 1.466,324 2.902,325 2.025,326 4.289,327 2.449,328 1.52,329 1.928,330 4.117,331 1.317,332 2.85,333 1.839,334 4.079,335 2.218,336 1.226,337 1.791,338 3.229,339 1.197,340 2.602,341 1.521,342 3.587,343 2.133,344 1.141,345 1.23,346 2.69,347 1.127,348 2.229,349 1.382,350 3.459,351 2,352 1,353 1.167,354 2.136,355 1,356 2,357 1.147,358 3.247,359 1.739,360 0.771,361 1,362 1.708,363 0.737,364 17.986,365 0.473,366 1.269,367 0.033,368 45.25,369 1.191,370 21.5,371 0.566,372 23.75,373 0.625,374 39.942,375 1.051,376 41.414,377 0.69,378 44.111,379 1.161,380 8.62,381 0.227,382 9.369,383 0.247,384 0.205,385 0.028,386 0.361,387 3,389 0.612,390 0.904,391 0.549,392 0.836,393 0.588,394 0.805,395 0.41,396 0.779,397 0.592,398 0.908,399 0.389,400 0.941,401 0.654,402 0.9,403 0.791,404 1.03,405 0.593,406 1.001,407 1.016,408 0.888,409 0.879,410 0.854,411 0.983,412 0.904,413 0.967,414 0.862,415 0.929,416 0.88,417 0.962,418 0.839,419 0.796,420 0.876,421 0.982,422 1.032,423 0.82,424 0.905,425 1.004,426 1.099,427 0.783,428 0.988,429 1.009,430 0.881,431 0.834,432 0.817,433 0.95,434 0.929,435 0.838,436 0.976,437 9.5,438 0.318,439 5.556,440 3.25,441 2.813,442 2.076,443 1.244,444 1.137,445 0.674,446 0.417,447 20709,448 76775,449 1.986,450 36.7,451 10,452 8,455 3,456 1,458 1.792,459 1.802,460 3.649,461 0.817,465 111.659,466 1.861,467 4.18,468 4.901,469 5.336,470 5.428,471 5.428,472 3.114,473 4.785,474 5.217,475 3.853,476 2708.86,477 9.216,478 43914.2,483 354.413,484 1.689,485 5.14,486 0.232,487 0.008,488 0.093,489 0.049,490 0.044,491 0.032,492 0.019,493 0.018,494 0.011,495 0.009,496 0.514,497 0.17,498 0.88,499 0.854,500 209.129,501 -0.055,502 0.027,503 -0.01,504 0.074,505 -0.046,506 0.064,507 0.314,508 0.232,509 0.078,510 0.036,511 0.309,512 -0.018,513 -0.006,514 -0.137,515 0.054,516 -0.069,517 0.036,518 0.014,519 -0.103,520 -0.013,521 0.016,522 0.095,523 -0.075,524 0.079,525 -0.089,526 -0.036,527 0.074,528 0.082,529 -0.097,530 0.143,531 0.137,532 -0.026,533 0.127,534 -0.049,535 0.106,536 0.05,537 -0.056,538 -0.157,539 0.123,540 -0.025,541 -0.041,542 0.079,543 0.243,544 0.134,545 0.047,546 0.034,547 0.274,548 -0.052,549 5.932,550 5.788,551 0.632,552 43.767,553 1.035,554 1.134,555 4.032,556 16.257,557 0.701,558 3.738,559 4.111,560 4.369,561 4.615,562 4.883,563 4.997,564 5.118,565 5.231,566 5.333,567 5.429,568 7.797,569 0.689,570 564.42,571 3.738,572 5.313,573 6.172,574 7.071,575 7.951,576 8.852,577 9.741,578 10.644,579 11.538,580 12.443,581 5,584 2,586 1,589 5,592 7,594 12,597 1,599 2,600 60,601 17,602 2,603 41,605 63,606 27,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 1,616 5,617 1,618 1,619 5,620 1,621 18,622 8,623 1,624 4,625 2,626 1,628 5,631 3,633 22,634 9,635 3,636 11,637 2,639 3,641 1,642 3,647 4,650 1,652 2,654 2,655 2,661 4,664 2,665 3,667 38,668 1,669 6,670 2,672 1,674 1,675 1,676 1,677 1,678 5,679 5,680 1,681 2,684 21.083,685 10.781,686 8.222,687 3.723,688 2.971,689 1.363,690 0.968,691 8.423,692 11.153,693 3.989,694 4.564,695 5.121,696 5.668,697 6.226,698 6.558,699 6.935,700 7.304,701 7.661,702 7.945,703 0.889,704 66,705 14.825,706 7.218,707 8.376,708 25.714,709 21.603,710 2.876,711 109.306,714 223.651,715 134.278,716 67.081,717 78.297,718 92.973,719 44.88,721 134.278,722 394.921,723 111.961,725 50.8,726 56.857,727 121.741,728 102.054,730 223.651,731 86.057,732 223.651,733 201.359,734 137.854,735 78.297,737 223.651,738 137.854,741 89.619,742 99.507,743 90.53,745 268.531,746 160.054,747 212.575,749 231.41,750 53.059,751 56.857,752 52.623,753 247.21,754 223.651,755 204.934,756 212.575,758 0.596,759 0.349,760 0.181,761 0.102,762 28,763 15,764 0.079,765 5,767 1,768 4.492,769 381.4,771 24,772 190.666,773 28.045,774 11.412,775 6.206,777 204.934,778 5.409,781 -1.058,783 78.705,784 641.16,785 53,786 25.361,787 1.261,789 -1.61,790 62.076,791 68.013,792 0.315,793 0.708,794 0.83,795 0.903,796 0.919,797 0.919,798 5.283,799 1.863,800 6.213,801 5.79,802 4.796,803 5.252,804 3.636,805 7.086,806 4.698,807 6.526,808 1.82,809 7.825,810 5.404,811 4.635,812 5.223,813 3.979,814 8.236,815 4.405,816 7.867,817 1.569,818 9.544,819 4.629,820 6.494,821 7.438,822 5.636,823 11.287,824 6.308,825 9.239,826 1.52,827 11.324,828 4.607,829 7.099,830 8.165,831 6.714,832 13.206,833 6.793,834 10.64,835 1.226,836 13.142,837 4.117,838 8.504,839 9.924,840 8.119,841 15.837,842 8.213,843 12.062,844 1.141,845 14.986,846 3.229,847 9.431,848 10.996,849 9.395,850 18.056,851 9.042,852 13.501,853 1,854 16.848,855 2.69,856 10.678,857 12.573,858 10.751,859 20.551,860 10.274,861 3.347,862 0.771,863 18.725,864 2.136,865 11.744,866 13.817,867 12.076,868 22.893,869 11.26,870 3.206,871 11.766,872 20.612,873 1.708,874 12.936,875 15.313,876 13.421,877 25.344,878 12.419,879 3.034,880 11.138,881 22.508,882 4.268,883 14.062,884 16.645,885 14.758,886 27.738,887 13.478,888 2.782,889 10.441,890 24.412,891 4.12,892 15.238,893 18.104,894 16.101,895 30.176,896 14.61,897 2.622,898 8.551,899 26.321,900 3.75,901 16.392,902 19.482,903 17.441,904 32.594,905 15.703,906 2.334,907 8.351,908 28.235,909 3.277,910 17.566,911 20.926,912 18.783,913 35.03,914 16.829,915 2.102,916 7.544,917 30.154,918 3.114,919 18.734,920 22.329,921 20.124,922 37.46,923 17.94,924 20129,925 39199,926 26.065,927 42.046,928 64.239,929 66.739,930 64.927,931 62.531,932 62.037,933 77.432,934 18.777,935 187.312,936 58.585,937 5.641,938 6.461,939 6.927,940 5.303,941 5.347,942 7.268,943 5.86,944 19.162,945 5.193,946 24.883,947 1.567,948 1.628,949 1.584,950 1.525,951 1.513,952 1.889,953 0.458,954 4.569,955 1.429,956 4.058,957 4.076,958 4.102,959 3.996,960 8.513,961 3.999,962 3.928,963 3.955,964 4.009,965 3.867,966 7.999,967 3.865,968 3.877,969 3.914,970 3.771,971 3.77,972 7.999,973 3.759,974 3.727,975 3.753,976 3.753,977 3.614,978 7.431,979 3.627,980 3.458,981 3.513,982 3.549,983 3.249,984 7.427,985 3.266,986 3.316,987 3.349,988 3.453,989 3.087,990 6.818,991 3.101,992 3.212,993 3.259,994 3.317,995 3.046,996 6.468,997 3.086,998 3.111,999 3.206,1000 3.134,1001 2.968,1002 4.929,1003 2.954,1004 0.113,1005 0.109,1006 0.174,1007 0.104,1008 0.082,1009 4.641,1010 0.104,1011 4.461,1012 0.093,1013 7.125,1014 0.287,1015 4.262,1016 0.078,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.193,1022 1.995,1023 1.982,1024 2.101,1025 2.074,1026 1.485,1027 2.073,1028 1.906,1029 1.886,1030 2.039,1031 2.034,1032 1.221,1033 2.05,1034 1.873,1035 1.829,1036 1.956,1037 1.966,1038 1.138,1039 1.97,1040 1.668,1041 1.646,1042 1.747,1043 1.815,1044 0.879,1045 1.794,1046 1.387,1047 1.333,1048 1.578,1049 1.626,1050 0.825,1051 1.612,1052 1.177,1053 1.134,1054 1.513,1055 1.405,1056 0.824,1057 1.429,1058 1.153,1059 1.064,1060 1.422,1061 1.376,1062 0.633,1063 1.376,1064 1.077,1065 1.058,1066 1.194,1067 1.349,1068 0.264,1069 1.302,1070 4.419,1071 5.778,1073 7.328,1075 8.966,1077 10.65,1080 12.45,1081 40.073,1083 11.002,1084 4.627,1085 5.294,1087 -0.098,1089 -4.682,1090 9.568,1091 1.708,1092 41.335,1093 111.659,1094 250.824,1095 294.075,1096 320.149,1097 325.659,1098 325.659,1099 145.554,1100 8.182,1101 105.98,1102 105.98,1103 24,1104 12.964,1105 4.17,1106 3.7,1107 67.359,1108 175,1109 204,1110 0.185,1111 257.693,1112 480.74,1113 620.532,1114 43406,1115 8.3,1116 27.612,1117 0.727,1118 0.563,1119 26.112,1120 21.397,1121 17.989,1122 0.439,1123 0.307,1124 11.729,1125 16.723,1126 11.503,1127 9.414,1128 17.355,1129 12.589,1130 17.274,1131 0.288,1132 0.166,1133 16.095,1134 9.962,1135 13.886,1136 0.178,1137 0.092,1138 13.517,1139 7.15,1140 11.257,1141 0.113,1142 0.051,1143 11.252,1144 5.084,1145 9.236,1146 0.071,1147 0.028,1148 9.652,1149 3.663,1150 0.289,1151 119.485,1152 0.196,1153 34.125,1154 0.512,1155 202,1156 820.672,1157 261.057,1158 774.628,1159 984.38,1160 710,1161 239,1162 634.381,1163 281.92,1164 645.039,1165 963.81,1166 605,1167 6.056}
{0 CHEMBL234852,1 1.594,2 10.233,3 5.995,4 35.939,5 120.654,6 8.787,7 0.364,8 4.007,9 4.1,10 3.708,11 3.677,12 5.17,13 3.638,14 4.536,15 4.669,16 4.118,17 4.112,18 5.638,19 4.042,20 4.89,21 5.077,22 4.268,23 4.299,24 5.981,25 4.204,26 4.922,27 5.123,28 4.256,29 4.275,30 6.114,31 4.174,32 4.884,33 5.08,34 4.356,35 4.25,36 6.063,37 4.163,38 4.835,39 5.007,40 4.333,41 4.177,42 6.207,43 4.115,44 4.782,45 4.961,46 4.199,47 4.069,48 6.116,49 4.005,50 4.721,51 4.916,52 4.008,53 3.979,54 6.002,55 3.885,56 0.051,57 0.621,58 7.534,59 4.312,60 15.012,61 5.292,62 0.107,63 1.044,64 15.162,65 7.952,66 22.853,67 10.227,68 0.248,69 1.447,70 30.799,71 12.247,72 53.842,73 15.639,74 0.384,75 1.51,76 33.042,77 12.646,78 78.475,79 16.311,80 0.349,81 1.45,82 34.537,83 11.964,84 66.195,85 14.994,86 0.51,87 1.361,88 28.91,89 10.674,90 97.849,91 12.903,92 0.497,93 1.291,94 28.134,95 9.955,96 92.021,97 11.58,98 0.51,99 1.203,100 28.263,101 9.797,102 99.763,103 11.493,104 27,105 47,106 0.266,107 0.638,108 0.742,109 0.842,110 0.867,111 0.867,112 3.441,113 0.972,114 -5.6,115 -5.48,116 -5.11,118 48,120 5,121 1,128 1,129 2,130 1,131 6,132 3,133 3,140 2,143 16,145 2,146 1,147 5,148 25,150 2,152 4,153 25,154 1,155 5,156 1,157 1,158 5,159 20,161 3,163 5,164 18,166 7,167 1,169 8,170 13,172 7,174 7,175 14,177 4,178 1,179 4,180 15,182 4,185 2,186 15,187 1436,188 20.231,189 20.231,190 20.231,191 20.231,192 20.231,193 18.076,194 20.027,195 11.755,196 20.55,197 16.203,198 16.203,199 16.203,200 16.203,201 16.203,202 12.784,203 19.294,204 5.485,205 16.828,206 4.05,207 1.816,208 1.19,209 0.59,210 0.44,211 0.44,212 4.134,213 2,216 1,217 660,218 2.55,220 381.832,223 1.516,224 36.533,226 0.75,227 1,228 1,229 0.8,230 0.5,231 1,232 0.86,233 63.667,234 307,235 4.616,236 4.118,237 6.798,238 4.211,239 3.226,240 4.233,241 2.035,242 11.195,243 3.178,244 4.363,245 3.54,246 6.476,247 3.992,248 3.008,249 4.002,250 1.058,251 10.073,252 2.965,253 4.093,254 3.229,255 6.089,256 3.713,257 2.74,258 3.6,260 8.844,261 2.664,262 3.876,263 3.18,264 5.988,265 3.587,266 2.611,267 3.145,269 8.318,270 2.513,271 3.488,272 2.89,273 5.07,274 3.023,275 2.125,276 2.767,278 5.868,279 1.944,280 3.446,281 2.774,282 5.044,283 2.969,284 1.996,285 2.614,287 5.777,288 1.882,289 3.247,290 2.45,291 4.862,292 2.762,293 1.819,294 2.344,296 5.19,297 1.741,298 3.149,299 2.19,300 4.454,301 2.728,302 1.778,303 2.005,305 4.459,306 1.515,307 2.951,308 1.846,309 4.122,310 2.256,311 1.271,312 1.855,314 3.337,315 1.237,316 2.635,317 1.552,318 3.971,319 2.144,320 1.151,321 1.644,322 3.066,323 1.141,324 2.572,325 1.227,326 3.506,327 2.117,328 1.119,329 1.24,330 2.682,331 1.115,332 2.253,333 1.162,334 3.388,335 2,336 1,337 1.152,338 2.136,339 1,340 2,341 1,342 3.247,343 1.683,344 0.712,345 1,346 1.469,347 0.684,348 1.522,349 0.907,350 2.777,351 0.943,352 0.112,353 0.137,354 0.237,355 0.069,356 1.339,357 0.801,358 2.665,359 0.884,364 14.895,365 0.497,366 0.784,367 0.026,368 38.25,369 1.275,370 20,371 0.667,372 18.25,373 0.608,374 28.462,375 0.949,376 30.705,377 0.614,378 29.981,379 0.999,380 6.938,381 0.231,382 7.536,383 0.251,384 0.168,386 0.369,389 0.675,390 0.95,391 0.565,392 0.767,393 0.587,394 0.778,395 0.491,396 1.072,397 0.623,398 0.931,399 0.431,400 0.942,401 0.78,402 1.024,403 0.814,404 0.956,405 0.655,406 0.94,407 0.731,408 0.985,409 0.804,410 0.942,411 0.672,412 0.94,413 0.869,414 0.988,415 0.674,416 0.834,417 0.927,418 0.832,419 0.962,420 1.099,421 0.783,422 0.979,423 1.033,424 0.925,425 1.285,426 1.066,427 0.845,428 0.969,429 1.311,430 0.95,431 1.343,432 0.938,433 0.96,434 0.932,435 1.338,436 0.982,437 6,438 0.124,439 4,440 2.188,441 1.982,442 1.562,443 0.896,444 0.556,445 0.406,446 0.247,447 10677,448 31764,449 2.067,450 40,451 11,452 7,455 2,458 1.735,459 1.915,460 3.336,461 0.177,465 79.715,466 1.594,467 3.827,468 4.454,469 5.054,470 5.204,471 5.204,472 2.737,473 4.348,474 4.88,475 3.473,476 1510.78,477 8.548,478 20242.5,483 282.193,484 1.475,485 4.828,486 0.182,487 0.006,488 0.085,489 0.042,490 0.04,491 0.031,492 0.018,493 0.013,494 0.012,495 0.009,496 0.436,497 0.33,498 0.88,499 0.758,500 151.281,501 -0.065,502 0.088,503 -0.003,504 0.085,505 -0.009,506 0.066,507 0.083,508 -0.074,509 0.033,510 -0.032,511 0.09,512 -0.032,513 -0.01,514 -0.057,515 0.036,516 0.009,517 0.055,518 0.044,519 0.101,520 -0.003,521 0.062,522 0.026,523 0.138,524 0.051,525 0.039,526 0.004,527 0.209,528 0.131,529 -0.001,530 0.148,531 0.182,532 -0.085,533 0.107,534 -0.038,535 0.166,536 0.004,537 -0.006,538 -0.04,539 0.038,540 -0.032,541 0.003,542 -0.028,543 -0.071,544 0.063,545 -0.034,546 0.031,547 -0.045,548 -0.029,549 2.205,550 5.697,551 0.8,552 25.6,553 1.007,554 1.109,555 4.375,556 19.14,557 0.725,558 3.526,559 3.871,560 4.174,561 4.454,562 4.736,563 4.82,564 4.956,565 5.069,566 5.159,567 5.215,568 6.174,569 0.688,570 439.36,571 3.526,572 5.081,573 5.948,574 6.841,575 7.727,576 8.625,577 9.519,578 10.42,579 11.318,580 12.221,581 4,584 1,586 1,589 6,592 6,594 12,597 1,599 2,600 50,601 16,602 2,603 33,605 53,606 24,607 12,608 6,609 6,610 5,611 4,612 4,613 2,616 5,617 1,619 5,620 1,621 17,622 6,623 1,624 3,625 1,626 1,628 4,633 20,634 4,635 2,636 6,637 2,639 2,641 1,642 2,647 4,650 1,652 1,654 2,655 2,661 4,664 2,667 30,668 1,669 5,670 1,672 1,675 1,676 1,677 1,678 2,679 4,680 1,681 1,684 15.667,685 9.019,686 6.611,687 3.248,688 2.883,689 1.373,690 0.98,691 6.081,692 10.609,693 3.807,694 4.382,695 4.98,696 5.56,697 6.128,698 6.43,699 6.81,700 7.176,701 7.523,702 7.773,703 0.857,704 52,705 11.138,706 4.913,707 7.891,708 21.09,709 17.93,710 2.391,711 71.722,714 211.88,715 125.999,716 49.07,717 78.297,718 67.828,721 125.999,722 358.005,723 49.07,725 30.683,726 66.334,727 91.891,728 53.988,730 211.88,731 78.297,732 211.88,733 175.069,734 67.828,735 78.297,737 211.88,738 67.828,741 61.743,742 101.093,743 90.53,745 211.88,746 116.898,747 204.296,749 211.88,750 43.063,751 66.334,752 34.612,753 177.185,754 211.88,755 116.898,756 204.296,758 0.585,759 0.354,760 0.195,761 0.113,762 23,763 11,764 0.057,765 3,767 1,768 3.951,769 280.62,771 24,772 141.207,773 20.841,774 8.754,775 4.243,777 116.898,778 10.455,781 3.068,783 60.694,784 533.074,785 44,786 12.697,787 1.678,789 0.223,790 50.342,791 55.455,792 0.282,793 0.678,794 0.789,795 0.895,796 0.922,797 0.922,798 5.075,799 1.778,800 5.948,801 5.19,802 4.554,803 5.069,804 2.444,805 6.792,806 4.486,807 6.3,808 1.271,809 7.531,810 4.459,811 4.205,812 4.913,814 7.758,815 4.069,816 7.624,817 1.151,818 9.214,819 3.337,820 6.18,821 7.255,822 3.632,823 10.881,824 6.075,825 8.98,826 1.119,827 10.956,828 3.066,829 6.635,830 7.898,832 12.66,833 6.485,834 10.367,835 1,836 12.734,837 2.682,838 8.096,839 9.732,840 4.982,841 15.305,842 7.964,843 11.776,844 0.712,845 14.538,846 2.136,847 8.918,848 10.751,850 17.422,851 8.757,852 13.203,853 0.112,854 16.359,855 1.469,856 10.177,857 12.367,858 6.383,859 19.899,860 10.021,861 3.226,863 18.195,864 0.237,865 11.17,866 13.577,868 22.164,869 10.994,870 3.008,871 11.195,872 20.041,874 12.35,875 15.091,876 7.798,877 24.58,878 12.17,879 2.74,880 10.073,881 21.895,882 4.233,883 13.423,884 16.4,886 26.913,887 13.226,888 2.611,889 8.844,890 23.756,891 4.002,892 14.574,893 17.865,894 9.218,895 29.309,896 14.37,897 2.125,898 8.318,899 25.622,900 3.6,901 15.685,902 19.227,904 31.675,905 15.465,906 1.996,907 5.868,908 27.493,909 3.145,910 16.829,911 20.67,912 10.638,913 34.068,914 16.599,915 1.819,916 5.777,917 29.369,918 2.767,919 17.958,920 22.06,922 36.45,923 17.714,924 10261,925 17982,926 21.789,927 36.25,928 51.102,929 54.269,930 51.966,931 49.555,932 49.335,933 63.474,934 6.186,935 145.305,936 47.297,937 5.616,938 6.118,939 6.6,940 5.252,941 5.226,942 7.233,943 4.069,944 18.534,945 5.178,946 15.647,947 1.549,948 1.645,949 1.575,950 1.502,951 1.495,952 1.923,953 0.187,954 4.403,955 1.433,956 4.058,957 4.079,958 4.12,959 4,960 7.43,961 3.999,962 3.933,963 3.957,964 3.947,965 3.884,966 6.818,967 3.876,968 3.785,969 3.823,970 3.761,971 3.69,972 6.469,973 3.683,974 3.667,975 3.694,976 3.63,977 3.566,978 5.013,979 3.568,980 3.218,981 3.269,982 3.593,983 3.098,984 4.677,985 3.105,986 3.113,987 3.206,988 3.167,989 2.957,990 4.65,991 2.952,992 3.111,993 3.174,994 2.988,995 2.941,996 4.386,997 2.91,998 2.997,999 3.016,1000 2.957,1001 2.881,1002 4.175,1003 2.858,1004 0.14,1005 0.125,1006 0.206,1007 0.128,1008 0.098,1009 4.616,1010 0.128,1011 4.118,1012 0.062,1013 6.798,1014 0.339,1015 4.211,1016 0.096,1017 3.226,1018 4.233,1019 2.035,1020 11.195,1021 3.178,1022 2.01,1023 1.99,1024 2.137,1025 2.094,1026 1.507,1027 2.106,1028 1.929,1029 1.908,1030 2.009,1031 2.01,1032 1.187,1033 2.019,1034 1.78,1035 1.742,1036 1.913,1037 1.889,1038 1.086,1039 1.905,1040 1.63,1041 1.605,1042 1.715,1043 1.758,1044 0.843,1045 1.75,1046 1.191,1047 1.148,1048 1.513,1049 1.376,1050 0.825,1051 1.429,1052 1.153,1053 1.064,1054 1.438,1055 1.362,1056 0.7,1057 1.385,1058 1.09,1059 1.036,1060 1.236,1061 1.283,1062 0.297,1063 1.269,1064 0.899,1065 0.864,1066 1.115,1067 1.136,1068 0.148,1069 1.115,1070 4.205,1071 5.541,1073 7.086,1075 8.724,1077 10.411,1080 12.462,1083 10.53,1084 5.904,1085 2.744,1087 0.449,1090 9.556,1091 1.957,1092 34.395,1093 79.715,1094 191.368,1095 222.709,1096 252.683,1097 260.193,1098 260.193,1099 68.971,1100 7.726,1101 76.88,1102 76.88,1103 24,1104 12.742,1105 4.087,1106 3.585,1107 46.705,1108 110,1109 118,1110 0.207,1111 217.459,1112 393.48,1113 522.359,1114 23245,1115 4,1116 21.25,1117 0.708,1118 0.591,1119 22.25,1120 17.725,1121 14.474,1122 0.439,1123 0.324,1124 9.944,1125 13.633,1126 9.678,1127 7.974,1128 15.051,1129 10.694,1130 13.116,1131 0.279,1132 0.181,1133 13.895,1134 8.492,1135 11.292,1136 0.176,1137 0.099,1138 11.913,1139 6.316,1140 9.497,1141 0.112,1142 0.054,1143 9.991,1144 4.583,1145 8.025,1146 0.071,1147 0.031,1148 8.805,1149 3.52,1150 0.317,1151 95.109,1152 0.214,1153 27.751,1154 0.596,1155 160,1156 450.27,1157 198.105,1158 507.434,1159 666.69,1160 468,1161 191,1162 438.054,1163 219.286,1164 469.04,1165 686.6,1166 442,1167 5.526}
{0 CHEMBL236619,1 2.02,2 8.821,3 4.83,4 23.329,5 103.254,6 12.693,7 0.4,8 3.758,9 3.82,10 3.745,11 3.427,12 5.16,13 3.442,14 4.245,15 4.319,16 4.264,17 3.825,18 6.11,19 3.832,20 4.479,21 4.576,22 4.349,23 3.996,24 5.985,25 3.981,26 4.586,27 4.717,28 4.343,29 3.96,30 6.186,31 3.954,32 4.536,33 4.667,34 4.45,35 3.922,36 6.073,37 3.93,38 4.504,39 4.606,40 4.511,41 3.87,42 6.329,43 3.893,44 4.385,45 4.505,46 4.317,47 3.688,48 6.106,49 3.734,50 4.284,51 4.401,52 4.288,53 3.518,54 6.492,55 3.545,56 0.31,57 0.672,58 1.392,59 2.744,60 55.601,61 2.18,62 0.897,63 1.455,64 2.899,65 4.92,66 157.341,67 3.908,68 0.752,69 1.258,70 17.948,71 7.077,72 114.973,73 6.098,74 1.109,75 1.453,76 19.402,77 8.186,78 186.187,79 6.855,80 0.999,81 1.321,82 15.567,83 7.583,84 175.06,85 6.338,86 1.125,87 1.18,88 28.081,89 7.848,90 174.576,91 6.12,92 0.932,93 1.277,94 11.957,95 6.59,96 156.238,97 4.951,98 1.138,99 1.215,100 8.47,101 5.544,102 236.846,103 3.989,104 69,105 45,106 0.358,107 0.722,108 0.826,109 0.9,110 0.9,111 0.9,112 3.376,113 0.882,114 -4.98,115 -4.88,116 -4.58,117 1,118 51.4,126 1,128 1,129 2,130 1,131 6,132 3,133 3,140 2,143 9,145 2,146 1,147 5,148 15,150 2,152 4,153 15,154 1,155 5,156 1,157 1,158 3,159 12,161 3,163 5,164 8,166 8,167 1,169 5,170 8,172 5,174 2,175 9,177 1,178 1,179 3,180 6,182 2,185 1,186 7,187 1224,188 17.927,189 17.927,190 17.927,191 17.927,192 17.927,193 15.786,194 19.674,195 10.037,196 18.525,197 14.689,198 14.689,199 14.689,200 14.689,201 14.689,202 11.285,203 20.542,204 4.643,205 15.856,206 3.189,207 1.133,208 0.548,209 0.129,210 0.129,211 0.129,212 4.046,213 1,215 1,216 1,217 512,218 3.464,220 270.729,223 1.276,224 61.196,226 1,227 0.83,228 1,229 0.4,231 1,232 0.75,233 63.583,234 247,235 4.634,236 4.461,237 7.125,238 4.257,239 3.347,240 4.248,241 3.825,242 11.765,243 3.185,244 4.434,245 4.117,246 6.784,247 4.122,248 3.184,249 3.999,250 2.035,251 11.099,252 2.908,253 4.297,254 3.539,255 6.442,256 3.897,257 2.935,258 3.727,259 1.058,260 9.928,261 2.792,262 3.956,263 3.176,264 5.976,265 3.543,266 2.597,267 3.267,269 8.261,270 2.408,271 3.626,272 3.131,273 5.141,274 3.097,275 2.199,276 2.934,278 6.169,279 1.962,280 3.354,281 2.7,282 4.979,283 2.834,284 1.901,285 2.524,287 5.404,288 1.748,289 3.26,290 2.444,291 4.874,292 2.808,293 1.863,294 2.381,296 5.369,297 1.604,298 3.163,299 2.183,300 4.591,301 2.45,302 1.568,303 2.012,305 4.608,306 1.321,307 2.901,308 2.024,309 4.122,310 2.256,311 1.27,312 1.855,314 3.333,315 1.23,316 2.635,317 1.525,318 3.97,319 2.118,320 1.121,321 1.644,322 3.056,323 1.115,324 2.572,325 1.192,326 3.389,327 1.683,328 0.712,329 1.153,330 1.469,331 0.684,332 1.511,333 0.883,334 2.885,335 0.962,336 0.113,337 0.137,338 0.239,339 0.078,340 1.352,341 0.688,342 2.754,343 0.816,344 -0.027,345 -0.034,346 -0.06,347 -0.019,348 1.202,349 0.567,350 2.649,351 0.715,352 -0.284,353 -0.457,354 -0.547,355 -0.262,356 0.872,357 0.51,358 2.447,359 0.436,360 -0.504,361 -0.641,362 -1.396,363 -0.434,364 13.871,365 0.495,366 1.06,367 0.038,368 37.25,369 1.33,370 20,371 0.714,372 17.25,373 0.616,374 24.293,375 0.868,376 28.729,377 0.776,378 32.005,379 1.143,380 7.389,381 0.264,382 5.723,383 0.204,384 0.286,385 0.036,386 0.36,387 3,389 0.646,390 0.75,391 0.474,392 0.608,393 0.66,394 0.624,395 0.439,396 0.647,397 0.57,398 0.703,399 0.43,400 0.797,401 0.744,402 0.857,403 0.985,404 1.034,405 0.653,406 1.084,407 1.047,408 0.915,409 0.811,410 0.902,411 0.993,412 1.049,413 0.967,414 0.872,415 0.716,416 0.85,417 1.003,418 0.879,419 0.761,420 0.926,421 1.215,422 1.214,423 0.845,424 1.052,425 1.28,426 1.231,427 0.809,428 1.003,429 1.335,430 0.958,431 0.842,432 0.84,433 0.94,434 0.873,435 0.866,436 0.996,437 8,438 0.124,439 4.444,440 2.5,441 2.231,442 1.722,443 0.958,444 0.778,445 0.39,446 0.247,447 7872,448 39453,449 1.944,450 24.3,452 7,455 2,458 1.719,459 1.741,460 3.144,461 0.318,465 74.755,466 2.02,467 4.077,468 4.662,469 5.081,470 5.081,471 5.081,472 2.513,473 4.138,474 4.781,475 3.301,476 1247.96,477 8.362,478 15888,483 192.75,484 1.745,485 4.681,486 0.267,487 0.01,488 0.099,489 0.051,490 0.047,491 0.037,492 0.02,493 0.019,494 0.011,495 0.012,496 0.574,497 0.33,498 0.88,499 0.96,500 136.981,501 -0.065,502 0.035,503 -0.01,504 0.082,505 -0.095,506 0.08,507 0.361,508 0.336,509 0.012,510 0.076,511 0.344,512 -0.048,513 -0.081,514 -0.138,515 -0.116,516 -0.167,517 -0.013,518 -0.167,519 -0.162,520 -0.019,521 -0.083,522 -0.007,523 -0.123,524 -0.068,525 -0.142,526 -0.067,527 0.042,528 0.042,529 -0.169,530 0.118,531 0.136,532 -0.11,533 -0.088,534 -0.224,535 0.071,536 -0.086,537 -0.247,538 -0.236,539 0.008,540 -0.068,541 -0.243,542 -0.011,543 0.355,544 0.261,545 -0.001,546 0.112,547 0.414,548 -0.088,549 5.876,550 5.391,551 0.643,552 21.837,553 1.061,554 1.127,555 3.752,556 14.076,557 0.771,558 3.434,559 3.829,560 4.078,561 4.331,562 4.615,563 4.736,564 4.82,565 4.913,566 4.934,567 4.97,568 5.647,569 0.774,570 469.65,571 3.434,572 5.017,573 5.878,574 6.788,575 7.673,576 8.584,577 9.477,578 10.388,579 11.286,580 12.198,581 5.4,584 1,586 1,589 6,592 6,594 12,597 1,599 2,600 37,601 16,602 2,603 30,604 1,605 39,606 19,607 12,608 6,609 6,610 5,611 3,612 3,613 1,615 1,618 1,620 1,621 17,622 1,624 3,625 1,626 1,628 4,631 3,633 9,634 7,635 2,636 9,637 2,639 2,641 1,642 2,647 3,650 1,652 1,654 2,655 2,661 3,662 1,664 1,665 3,667 28,668 1,670 1,674 1,675 1,676 1,677 1,678 5,679 5.4,680 1,681 1,684 16.083,685 6.864,686 6,687 2.001,688 2.84,689 1.389,690 0.98,691 5.473,692 10.148,693 3.738,694 4.357,695 4.945,696 5.522,697 6.097,698 6.412,699 6.773,700 7.141,701 7.446,702 7.704,703 0.833,704 49,705 10.92,706 5.391,707 8.599,708 18.206,709 14.905,710 3.099,711 86.778,714 82.398,715 120.64,716 95.024,717 39.149,718 67.828,719 44.88,721 166.594,722 189.375,723 93.95,725 18.011,726 66.334,727 91.891,728 98.423,730 82.398,731 92.862,732 82.398,733 169.71,734 112.709,735 39.149,736 45.954,737 82.398,738 112.709,741 56.83,742 100.647,743 51.382,744 45.954,745 127.278,746 116.898,747 205.743,749 90.157,750 29.945,751 66.334,752 80.567,753 182.917,754 82.398,755 161.779,756 205.743,758 0.604,759 0.35,760 0.18,761 0.105,762 22,763 12,764 0.051,765 2,767 1,768 3.614,769 252.715,771 18,772 129.851,773 20.322,774 7.541,775 4.066,777 161.779,778 7.12,781 -0.48,783 60.694,784 449.919,785 41,786 12.391,787 1.308,789 -1.162,790 39.251,791 41.711,792 0.388,793 0.783,794 0.895,795 0.975,796 0.975,797 0.975,798 5.03,799 1.568,800 5.943,801 5.369,802 4.511,803 5.043,804 3.446,805 6.838,806 4.376,807 6.305,808 1.27,809 7.573,810 4.608,811 4.443,812 5.037,813 3.903,814 8.055,815 4.139,816 7.66,817 1.121,818 9.308,819 3.333,820 6.244,821 7.28,822 5.571,823 11.09,824 5.999,825 9.046,826 0.712,827 11.103,828 3.056,829 6.909,830 7.995,831 6.69,832 13.052,833 6.516,834 10.457,835 0.113,836 12.934,837 1.469,838 8.29,839 9.786,840 8.103,841 15.682,842 7.922,843 11.887,844 -0.027,845 14.791,846 0.239,847 9.254,848 10.838,849 9.388,850 17.927,851 8.772,852 13.332,853 -0.284,854 16.665,855 -0.06,856 10.495,857 12.435,858 10.747,859 20.425,860 10.001,861 3.347,862 -0.504,863 18.553,864 -0.547,865 11.582,866 13.66,867 12.074,868 22.783,869 11.002,870 3.184,871 11.765,872 20.451,873 -1.396,874 12.776,875 15.164,876 13.42,877 25.237,878 12.162,879 2.935,880 11.099,881 22.357,882 4.248,883 13.915,884 16.48,885 14.758,886 27.641,887 13.231,888 2.597,889 9.928,890 24.27,891 3.999,892 15.096,893 17.94,894 16.101,895 30.083,896 14.367,897 2.199,898 8.261,899 26.187,900 3.727,901 16.259,902 19.305,903 17.441,904 32.507,905 15.468,906 1.901,907 6.169,908 28.11,909 3.267,910 17.438,911 20.745,912 18.783,913 34.947,914 16.599,915 1.863,916 5.404,917 30.036,918 2.934,919 18.612,920 22.137,921 20.124,922 37.382,923 17.716,924 7932,925 17866,926 18.611,927 28.512,928 47.887,929 49.34,930 48.789,931 46.055,932 45.619,933 59.763,934 13.837,935 141.401,936 42.07,937 5.516,938 6.461,939 6.629,940 5.298,941 5.347,942 7.248,943 5.86,944 19.141,945 5.185,946 18.934,947 1.596,948 1.645,949 1.626,950 1.535,951 1.521,952 1.992,953 0.461,954 4.713,955 1.402,956 4.043,957 4.059,958 6.88,959 3.989,960 8.513,961 3.988,962 3.898,963 3.913,964 4.079,965 3.855,966 7.999,967 3.844,968 3.713,969 3.735,970 3.858,971 3.609,972 7.999,973 3.618,974 3.316,975 3.349,976 3.652,977 3.097,978 7.43,979 3.102,980 3.2,981 3.247,982 3.548,983 3.046,984 6.818,985 3.086,986 2.984,987 3.009,988 3.144,989 2.862,990 6.469,991 2.82,992 2.953,993 2.964,994 3.031,995 2.78,996 4.92,997 2.793,998 2.849,999 2.9,1000 2.918,1001 2.651,1002 4.669,1003 2.694,1004 0.154,1005 0.149,1006 0.237,1007 0.142,1008 0.112,1009 4.634,1010 0.142,1011 4.461,1012 0.128,1013 7.125,1014 0.392,1015 4.257,1016 0.106,1017 3.347,1018 4.248,1019 3.825,1020 11.765,1021 3.185,1022 1.989,1023 1.976,1024 2.034,1025 2.064,1026 1.2,1027 2.058,1028 1.877,1029 1.864,1030 1.934,1031 1.951,1032 1.084,1033 1.953,1034 1.655,1035 1.635,1036 1.72,1037 1.788,1038 0.808,1039 1.769,1040 1.146,1041 1.112,1042 1.237,1043 1.404,1044 0.307,1045 1.307,1046 1.076,1047 1.058,1048 1.143,1049 1.3,1050 0.209,1051 1.273,1052 0.898,1053 0.855,1054 1.056,1055 1.133,1056 0.126,1057 1.115,1058 0.87,1059 0.849,1060 1.043,1061 1.092,1062 0.043,1063 1.079,1064 0.767,1065 0.727,1066 0.901,1067 1.003,1069 1,1070 4.111,1071 5.485,1073 7.05,1075 8.702,1077 10.399,1078 3.245,1080 6.071,1081 39.313,1083 10.09,1085 2.461,1089 -4.626,1090 9.349,1091 1.697,1092 28.636,1093 74.755,1094 150.834,1095 172.485,1096 187.995,1097 187.995,1098 187.995,1099 93.348,1100 7.308,1101 76.88,1102 76.88,1103 18,1104 12.714,1105 4.087,1106 3.585,1107 49.194,1108 92,1109 88,1110 0.26,1111 184.066,1112 341.62,1113 440.88,1114 12876,1115 13.5,1116 20.637,1117 0.737,1118 0.574,1119 19.637,1120 16.076,1121 13.112,1122 0.437,1123 0.294,1124 7.599,1125 11.711,1126 7.419,1127 6.047,1128 12.767,1129 8.821,1130 13.021,1131 0.289,1132 0.158,1133 12.251,1134 7.089,1135 10.16,1136 0.175,1137 0.083,1138 10.08,1139 4.801,1140 8.215,1141 0.11,1142 0.043,1143 8.362,1144 3.241,1145 6.866,1146 0.069,1147 0.024,1148 7.599,1149 2.397,1150 0.393,1151 94.388,1152 0.232,1153 25.904,1154 0.768,1155 150,1156 691.054,1157 255.473,1158 658.835,1159 829.99,1160 602,1161 178,1162 522.925,1163 235.268,1164 536.341,1165 803.01,1166 502,1167 6.31}
{0 CHEMBL236620,1 1.966,2 8.821,3 4.746,4 22.525,5 100.436,6 11.492,7 0.4,8 3.76,9 3.822,10 3.654,11 3.411,12 5.173,13 3.436,14 4.248,15 4.322,16 4.154,17 3.803,18 6.122,19 3.823,20 4.483,21 4.581,22 4.239,23 3.97,24 6.004,25 3.972,26 4.589,27 4.72,28 4.237,29 3.937,30 6.198,31 3.945,32 4.54,33 4.67,34 4.286,35 3.901,36 6.106,37 3.921,38 4.509,39 4.611,40 4.415,41 3.838,42 6.345,43 3.881,44 4.389,45 4.508,46 4.137,47 3.657,48 6.137,49 3.721,50 4.288,51 4.405,52 4.122,53 3.473,54 6.504,55 3.528,56 0.33,57 0.679,58 1.124,59 2.779,60 59.653,61 2.188,62 0.924,63 1.452,64 2.451,65 4.9,66 162.183,67 3.908,68 0.819,69 1.251,70 9.28,71 6.689,72 127.759,73 5.888,74 1.167,75 1.436,76 14.285,77 7.871,78 197.844,79 6.711,80 1.072,81 1.305,82 13.091,83 7.311,84 187.395,85 6.289,86 1.191,87 1.157,88 17.018,89 7.136,90 188.137,91 5.752,92 0.998,93 1.263,94 9.927,95 6.271,96 170.944,97 4.857,98 1.16,99 1.182,100 8.336,101 5.206,102 240.947,103 3.88,104 69,105 45,106 0.348,107 0.703,108 0.807,109 0.891,110 0.9,111 0.9,112 3.376,113 0.841,114 -4.87,115 -4.78,116 -4.49,118 51.4,126 1,128 1,129 2,130 1,131 6,132 3,133 3,140 2,143 9,145 2,146 1,147 5,148 15,150 2,152 4,153 15,154 1,155 5,156 1,157 1,158 3,159 12,161 3,163 5,164 8,166 8,167 1,169 5,170 8,172 5,174 2,175 9,177 1,178 1,179 3,180 6,182 2,185 1,186 7,187 1224,188 17.927,189 17.927,190 17.927,191 17.927,192 17.927,193 15.786,194 19.631,195 10.037,196 18.497,197 14.689,198 14.689,199 14.689,200 14.689,201 14.689,202 11.285,203 20.507,204 4.643,205 15.8,206 3.243,207 1.241,208 0.656,209 0.183,210 0.129,211 0.129,212 4.046,213 2,215 1,216 1,217 512,218 3.464,220 270.729,223 1.276,224 63.587,226 1,227 1,228 1,229 0.4,231 1,232 0.77,233 64.167,234 247,235 4.634,236 4.461,237 7.125,238 4.257,239 3.347,240 4.248,241 3.825,242 11.765,243 3.185,244 4.434,245 4.117,246 6.784,247 4.122,248 3.184,249 3.999,250 2.035,251 11.099,252 2.909,253 4.297,254 3.539,255 6.442,256 3.898,257 2.935,258 3.727,259 1.058,260 9.928,261 2.794,262 3.956,263 3.176,264 5.976,265 3.544,266 2.597,267 3.267,269 8.261,270 2.408,271 3.626,272 3.141,273 5.141,274 3.107,275 2.199,276 2.934,278 6.169,279 1.98,280 3.354,281 2.73,282 4.979,283 2.835,284 1.901,285 2.524,287 5.404,288 1.749,289 3.26,290 2.445,291 4.874,292 2.815,293 1.863,294 2.381,296 5.369,297 1.658,298 3.163,299 2.183,300 4.591,301 2.45,302 1.568,303 2.012,305 4.608,306 1.321,307 2.901,308 2.024,309 4.122,310 2.256,311 1.27,312 1.855,314 3.333,315 1.23,316 2.635,317 1.525,318 3.97,319 2.118,320 1.121,321 1.644,322 3.056,323 1.115,324 2.572,325 1.192,326 3.389,327 1.683,328 0.712,329 1.153,330 1.469,331 0.684,332 1.511,333 0.883,334 2.885,335 0.972,336 0.113,337 0.137,338 0.239,339 0.086,340 1.352,341 0.706,342 2.754,343 0.816,344 -0.027,345 -0.034,346 -0.06,347 -0.019,348 1.202,349 0.567,350 2.649,351 0.716,352 -0.284,353 -0.457,354 -0.547,355 -0.269,356 0.872,357 0.51,358 2.447,359 0.439,360 -0.504,361 -0.641,362 -1.396,363 -0.452,364 13.252,365 0.473,366 1.06,367 0.038,368 37.5,369 1.339,370 20,371 0.714,372 17.5,373 0.625,374 22.63,375 0.808,376 29.348,377 0.793,378 33.668,379 1.202,380 7.661,381 0.274,382 5.452,383 0.195,384 0.253,385 0.038,386 0.377,387 3,389 0.646,390 0.764,391 0.494,392 0.666,393 0.665,394 0.643,395 0.451,396 0.663,397 0.549,398 0.765,399 0.438,400 0.822,401 0.766,402 0.861,403 0.962,404 1.045,405 0.673,406 1.08,407 1.044,408 0.925,409 1.063,410 0.963,411 1,412 1.068,413 0.943,414 0.868,415 0.889,416 0.878,417 0.989,418 0.894,419 0.796,420 0.926,421 1.058,422 1.187,423 0.873,424 1.021,425 1.256,426 1.244,427 0.909,428 1.059,429 1.317,430 0.978,431 0.856,432 0.864,433 1.004,434 0.925,435 0.874,436 1.023,437 8,438 0.124,439 4.444,440 2.5,441 2.231,442 1.722,443 0.958,444 0.778,445 0.39,446 0.247,447 7872,448 39453,449 1.944,450 24.3,452 7,455 2,458 1.719,459 1.741,460 3.144,461 0.318,465 72.755,466 1.966,467 3.968,468 4.554,469 5.027,470 5.081,471 5.081,472 2.513,473 4.138,474 4.781,475 3.301,476 1247.96,477 8.362,478 15888,480 1,483 192.75,484 1.745,485 4.681,486 0.267,487 0.01,488 0.099,489 0.051,490 0.047,491 0.037,492 0.02,493 0.019,494 0.011,495 0.012,496 0.574,497 0.33,498 1,499 0.96,500 136.981,501 -0.064,502 0.034,503 -0.025,504 0.097,505 -0.095,506 0.084,507 0.344,508 0.33,509 0.043,510 0.074,511 0.336,512 -0.055,513 -0.091,514 -0.136,515 -0.13,516 -0.167,517 -0.025,518 -0.156,519 -0.166,520 -0.026,521 -0.161,522 -0.014,523 -0.131,524 -0.07,525 -0.121,526 -0.06,527 0.04,528 0.061,529 -0.155,530 0.119,531 0.108,532 -0.11,533 0.078,534 -0.221,535 0.045,536 -0.061,537 -0.232,538 -0.249,539 -0.026,540 -0.098,541 -0.232,542 -0.024,543 0.326,544 0.231,545 0.019,546 0.065,547 0.393,548 -0.118,549 5.888,550 5.37,551 0.643,552 21.837,553 1.063,554 1.13,555 3.645,556 13.285,557 0.757,558 3.434,559 3.829,560 4.078,561 4.331,562 4.615,563 4.736,564 4.82,565 4.913,566 4.934,567 4.97,568 5.647,569 0.769,570 425.2,571 3.434,572 5.017,573 5.878,574 6.788,575 7.673,576 8.584,577 9.477,578 10.388,579 11.286,580 12.198,581 5.4,584 1,586 1,589 6,592 6,594 12,597 1,599 2,600 37,601 16,602 2,603 30,605 39,606 19,607 12,608 6,609 6,610 5,611 3,612 3,613 2,615 1,618 1,620 1,621 17,622 1,624 3,625 1,626 1,628 4,631 3,633 9,634 7,635 2,636 9,637 2,639 2,641 1,642 2,647 3,650 1,652 1,654 2,655 2,661 3,664 2,665 3,667 28,668 1,670 1,674 1,675 1,676 1,677 1,678 5,679 5.4,680 1,681 1,684 16.083,685 6.864,686 6,687 2.001,688 2.84,689 1.389,690 0.974,691 5.339,692 10.148,693 3.738,694 4.357,695 4.945,696 5.522,697 6.097,698 6.412,699 6.773,700 7.141,701 7.446,702 7.704,703 0.833,704 49,705 10.925,706 5.423,707 8.648,708 18.097,709 14.82,710 3.148,711 88.139,714 82.398,715 121.085,716 49.07,717 78.297,718 67.828,719 44.88,721 121.085,722 228.523,723 93.95,725 18.011,726 66.334,727 91.891,728 98.869,730 82.398,731 86.057,732 82.398,733 170.156,734 112.709,735 78.297,737 82.398,738 112.709,741 56.83,742 101.093,743 90.53,745 127.278,746 116.898,747 199.383,749 90.157,750 30.39,751 66.334,752 34.612,753 222.065,754 82.398,755 161.779,756 199.383,758 0.604,759 0.35,760 0.18,761 0.105,762 22,763 12,764 0.051,765 2,767 1,768 3.614,769 252.715,771 18,772 129.851,773 20.132,774 7.426,775 3.992,777 161.779,778 6.691,781 -1.012,783 60.694,784 443.559,785 41,786 12.37,787 1.271,789 -1.293,790 39.345,791 41.814,792 0.377,793 0.762,794 0.874,795 0.965,796 0.975,797 0.975,798 5.03,799 1.568,800 5.943,801 5.369,802 4.511,803 5.043,804 3.446,805 6.838,806 4.381,807 6.305,808 1.27,809 7.573,810 4.608,811 4.443,812 5.037,813 3.903,814 8.055,815 4.149,816 7.66,817 1.121,818 9.308,819 3.333,820 6.244,821 7.28,822 5.571,823 11.09,824 6.005,825 9.046,826 0.712,827 11.103,828 3.056,829 6.909,830 7.995,831 6.69,832 13.052,833 6.523,834 10.457,835 0.113,836 12.934,837 1.469,838 8.29,839 9.786,840 8.103,841 15.682,842 7.927,843 11.887,844 -0.027,845 14.791,846 0.239,847 9.254,848 10.838,849 9.388,850 17.927,851 8.777,852 13.332,853 -0.284,854 16.665,855 -0.06,856 10.495,857 12.435,858 10.747,859 20.425,860 10.005,861 3.347,862 -0.504,863 18.553,864 -0.547,865 11.582,866 13.66,867 12.074,868 22.783,869 11.006,870 3.184,871 11.765,872 20.451,873 -1.396,874 12.776,875 15.164,876 13.42,877 25.237,878 12.166,879 2.935,880 11.099,881 22.357,882 4.248,883 13.915,884 16.48,885 14.758,886 27.641,887 13.234,888 2.597,889 9.928,890 24.27,891 3.999,892 15.096,893 17.94,894 16.101,895 30.083,896 14.371,897 2.199,898 8.261,899 26.187,900 3.727,901 16.259,902 19.305,903 17.441,904 32.507,905 15.472,906 1.901,907 6.169,908 28.11,909 3.267,910 17.438,911 20.745,912 18.783,913 34.947,914 16.602,915 1.863,916 5.404,917 30.036,918 2.934,919 18.612,920 22.137,921 20.124,922 37.382,923 17.72,924 7932,925 17866,926 18.611,927 28.017,928 47.887,929 49.39,930 48.789,931 46.033,932 45.619,933 59.763,934 13.837,935 141.401,936 42.242,937 5.516,938 6.461,939 6.629,940 5.298,941 5.347,942 7.248,943 5.86,944 19.141,945 5.185,946 18.934,947 1.596,948 1.646,949 1.626,950 1.534,951 1.521,952 1.992,953 0.461,954 4.713,955 1.408,956 4.043,957 4.059,958 4.094,959 3.986,960 8.513,961 3.987,962 3.899,963 3.915,964 3.995,965 3.844,966 7.999,967 3.841,968 3.714,969 3.736,970 3.752,971 3.603,972 7.999,973 3.616,974 3.316,975 3.349,976 3.549,977 3.083,978 7.43,979 3.099,980 3.201,981 3.248,982 3.382,983 3.046,984 6.818,985 3.084,986 2.985,987 3.009,988 3.112,989 2.804,990 6.469,991 2.803,992 2.959,993 2.97,994 3.031,995 2.78,996 4.93,997 2.792,998 2.849,999 2.9,1000 2.916,1001 2.649,1002 4.889,1003 2.694,1004 0.154,1005 0.149,1006 0.237,1007 0.142,1008 0.112,1009 4.634,1010 0.142,1011 4.461,1012 0.128,1013 7.125,1014 0.392,1015 4.257,1016 0.106,1017 3.347,1018 4.248,1019 3.825,1020 11.765,1021 3.185,1022 1.989,1023 1.976,1024 2.036,1025 2.065,1026 1.199,1027 2.059,1028 1.876,1029 1.862,1030 1.941,1031 1.954,1032 1.077,1033 1.955,1034 1.654,1035 1.634,1036 1.723,1037 1.791,1038 0.804,1039 1.77,1040 1.145,1041 1.111,1042 1.238,1043 1.405,1044 0.305,1045 1.307,1046 1.076,1047 1.058,1048 1.143,1049 1.301,1050 0.209,1051 1.274,1052 0.898,1053 0.855,1054 1.059,1055 1.134,1056 0.115,1057 1.115,1058 0.865,1059 0.843,1060 1.052,1061 1.105,1062 0.035,1063 1.086,1064 0.766,1065 0.727,1066 0.907,1067 1.003,1069 1,1070 4.111,1071 5.485,1073 7.05,1075 8.702,1077 10.399,1080 11.974,1081 39.285,1083 10.052,1085 2.424,1089 -4.638,1090 9.335,1091 1.68,1092 28.438,1093 72.755,1094 146.834,1095 168.485,1096 185.995,1097 187.995,1098 187.995,1099 95.688,1100 7.308,1101 76.88,1102 76.88,1103 18,1104 12.714,1105 4.087,1106 3.585,1107 49.194,1108 92,1109 88,1110 0.26,1111 180.485,1112 337.55,1113 432.143,1114 12876,1115 13.5,1116 20.637,1117 0.737,1118 0.544,1119 19.137,1120 15.246,1121 13.112,1122 0.437,1123 0.28,1124 7.58,1125 11.975,1126 7.419,1127 6.047,1128 12.478,1129 8.406,1130 13.021,1131 0.289,1132 0.147,1133 11.842,1134 6.61,1135 10.16,1136 0.175,1137 0.078,1138 9.818,1139 4.542,1140 8.215,1141 0.11,1142 0.041,1143 8.143,1144 3.052,1145 6.866,1146 0.069,1147 0.022,1148 7.255,1149 2.206,1150 0.393,1151 89.192,1152 0.232,1153 25.904,1154 0.768,1155 150,1156 698.603,1157 205.122,1158 658.835,1159 829.99,1160 602,1161 178,1162 526.054,1163 216.763,1164 536.341,1165 803.01,1166 502,1167 6.284}
{0 CHEMBL236829,1 1.596,2 8.04,3 4.196,4 17.604,5 102.558,6 9.882,7 0.444,8 3.782,9 3.872,10 3.587,11 3.462,12 5.036,13 3.428,14 4.241,15 4.369,16 4.016,17 3.855,18 5.435,19 3.802,20 4.496,21 4.622,22 4.141,23 4.029,24 5.751,25 3.962,26 4.625,27 4.802,28 4.123,29 4.024,30 5.926,31 3.941,32 4.618,33 4.803,34 4.235,35 3.993,36 5.865,37 3.926,38 4.579,39 4.74,40 4.097,41 3.964,42 5.957,43 3.881,44 4.549,45 4.755,46 4.065,47 3.794,48 5.91,49 3.715,50 4.284,51 4.473,52 3.822,53 3.591,54 5.684,55 3.48,56 0.046,57 0.484,58 4.388,59 3.274,60 11.239,61 3.78,62 0.099,63 0.768,64 9.951,65 5.774,66 17.715,67 7.113,68 0.121,69 0.98,70 19.438,71 7.775,72 29.001,73 8.747,74 0.277,75 1.158,76 22.012,77 9.078,78 59.357,79 11.006,80 0.285,81 1.144,82 23.187,83 8.846,84 53.62,85 10.375,86 0.284,87 1.076,88 28.079,89 8.915,90 61.729,91 9.932,92 0.361,93 1.087,94 23.392,95 8.321,96 78.335,97 9.099,98 0.309,99 0.833,100 14.881,101 6.124,102 77.752,103 6.424,104 38,105 39,106 0.279,107 0.682,108 0.776,109 0.853,110 0.888,111 0.888,112 3.268,113 0.937,114 -4.66,115 -4.58,116 -4.3,117 1,118 50,119 2,128 1,129 2,130 1,131 6,132 4,133 2,140 2,143 13,145 2,146 1,147 5,148 20,150 2,152 4,153 20,154 1,155 5,156 1,157 1,158 3,159 14,161 5,163 6,164 12,166 8,167 1,169 5,170 9,172 7,174 4,175 11,177 1,178 1,179 3,180 9,182 2,185 2,186 8,187 855,188 16.455,189 16.455,190 16.455,191 16.455,192 16.455,193 14.223,194 18.469,195 9.396,196 16.691,197 13.215,198 13.215,199 13.215,200 13.215,201 13.215,202 9.747,203 18.688,204 4.355,205 13.662,206 3.726,207 1.417,208 0.875,209 0.438,210 0.238,211 0.238,212 3.942,215 1,216 1,217 421,218 2.449,220 235.67,223 1.165,224 27.775,226 1,227 1,228 1,229 0.6,231 1,232 0.8,233 52.75,234 201,235 4.615,236 4.117,237 6.798,238 4.217,239 3.222,240 4.231,241 2.035,242 11.193,243 3.205,244 4.334,245 3.537,246 6.445,247 3.934,248 2.957,249 3.98,250 1.058,251 9.943,252 2.883,253 4.083,254 3.134,255 5.998,256 3.663,257 2.665,258 3.593,260 8.355,261 2.656,262 3.626,263 3.055,264 5.141,265 3.128,266 2.201,267 2.937,269 6.17,270 2.127,271 3.479,272 2.697,273 5.044,274 3.096,275 2.122,276 2.767,278 5.865,279 1.962,280 3.352,281 2.443,282 4.874,283 2.828,284 1.901,285 2.524,287 5.369,288 1.822,289 3.235,290 2.25,291 4.862,292 2.808,293 1.819,294 2.344,296 5.19,297 1.604,298 3.141,299 2.153,300 4.123,301 2.263,302 1.271,303 1.856,305 3.337,306 1.255,307 2.635,308 1.486,309 3.97,310 2.119,311 1.121,312 1.644,314 3.06,315 1.118,316 2.572,317 1.191,318 3.388,319 1.689,320 0.713,321 1.153,322 1.47,323 0.692,324 1.532,325 0.878,326 2.775,327 1.106,328 0.12,329 0.144,330 0.262,331 0.112,332 1.392,333 0.688,334 2.649,335 0.962,336 0.104,337 0.131,338 0.212,339 0.077,340 1.262,341 0.454,342 2.467,343 0.717,344 -0.28,345 -0.455,346 -0.516,347 -0.259,348 0.926,349 0.141,350 2.367,351 0.516,352 -0.456,353 -0.578,354 -1.263,355 -0.424,356 0.705,357 -0.258,358 2.365,359 0.282,360 -0.679,361 -0.864,362 -1.894,363 -0.522,364 12.8,365 0.512,366 0.771,367 0.031,368 34.75,369 1.39,370 20,371 0.8,372 14.75,373 0.59,374 20.987,375 0.839,376 24.4,377 0.61,378 25.535,379 1.021,380 6.719,381 0.269,382 5.182,383 0.207,384 0.266,386 0.391,389 0.757,390 0.895,391 0.489,392 0.687,393 0.656,394 0.734,395 0.491,396 0.894,397 0.551,398 0.731,399 0.468,400 0.751,401 0.933,402 1.152,403 0.959,404 1.086,405 0.809,406 1.066,407 0.748,408 1.033,409 0.66,410 0.932,411 0.724,412 0.987,413 0.92,414 0.998,415 0.587,416 0.87,417 1.005,418 0.869,419 1.039,420 1.196,421 1.117,422 1.169,423 1.098,424 1.123,425 1.405,426 0.975,427 0.674,428 0.833,429 1.628,430 0.889,431 1.563,432 0.922,433 0.901,434 0.87,435 1.718,436 1.054,437 6,438 0.025,439 3.556,440 2.125,441 2.031,442 1.201,443 0.795,444 0.474,445 0.255,446 0.127,447 5889,448 19368,449 1.992,450 37.5,451 6,452 7,455 2,458 1.689,459 1.807,460 3.036,461 0.233,462 1,465 63.835,466 1.596,467 3.905,468 4.446,469 4.884,470 5.084,471 5.084,472 2.419,473 4.244,474 4.618,475 3.164,476 949.073,477 8.034,478 11167.5,480 1,482 1,483 212.877,484 1.554,485 4.541,486 0.222,487 0.006,488 0.091,489 0.049,490 0.05,491 0.029,492 0.021,493 0.015,494 0.012,495 0.009,496 0.505,497 0.33,498 1,499 0.866,500 117.328,501 -0.091,502 0.087,503 -0.006,504 0.079,505 -0.073,506 0.064,507 0.125,508 0.064,509 0.053,510 0.104,511 0.07,512 0.131,513 -0.091,514 -0.199,515 -0.1,516 -0.187,517 -0.046,518 -0.183,519 0.135,520 -0.053,521 0.004,522 -0.047,523 0.133,524 -0.042,525 0.046,526 -0.006,527 0.09,528 0.024,529 -0.025,530 0.084,531 0.033,532 -0.221,533 -0.11,534 -0.206,535 0.042,536 -0.187,537 -0.118,538 0.06,539 0.07,540 0.089,541 -0.136,542 0.074,543 -0.243,544 0.132,545 -0.017,546 0.067,547 -0.205,548 -0.126,549 2.143,550 5.46,551 0.72,552 18.048,553 1.007,554 1.104,555 3.428,556 11.752,557 0.74,558 3.332,559 3.689,560 3.97,561 4.248,562 4.522,563 4.564,564 4.663,565 4.745,566 4.771,567 4.682,568 5.19,569 0.705,570 395.27,571 3.332,572 4.89,573 5.753,574 6.65,575 7.535,576 8.436,577 9.33,578 10.232,579 11.13,580 12.033,581 5,584 1,586 1,589 6,592 6,594 12,597 1,599 1,600 40,601 16,602 2,603 27,604 1,605 42,606 20,607 12,608 6,609 6,610 5,611 3,612 3,615 2,620 1,621 17,622 2,624 3,625 1,626 1,628 4,630 1,633 15,634 4,635 2,636 5,637 1,639 2,641 1,642 2,647 3,650 1,652 1,654 2,655 2,661 3,662 1,663 2,667 25,668 1,670 1,675 1,676 1,677 1,678 1,679 5,680 1,681 1,684 13.833,685 8.043,686 5.5,687 2.295,688 2.814,689 1.399,690 0.976,691 4.696,692 9.872,693 3.664,694 4.277,695 4.879,696 5.467,697 6.034,698 6.288,699 6.65,700 7.011,701 7.349,702 7.502,703 1,704 43,705 9.221,706 3.964,707 7.957,708 17.172,709 13.977,710 2.457,711 61.417,713 1,714 153.024,715 130.216,716 95.024,718 67.828,721 176.17,722 220.853,723 49.07,724 17.65,725 18.011,726 66.334,727 91.891,728 53.228,730 153.024,731 45.954,732 153.024,733 179.286,734 67.828,736 45.954,737 153.024,738 67.828,741 66.721,742 100.332,743 12.233,744 45.954,745 153.024,746 116.898,747 176.17,749 153.024,750 29.63,751 83.984,752 80.567,753 98.888,754 153.024,755 116.898,756 176.17,758 0.591,759 0.355,760 0.194,761 0.115,762 19,763 10,764 0.048,765 2,767 1,768 3.45,769 214.62,771 18,772 114.096,773 17.321,774 6.778,775 3.334,777 116.898,778 10.886,781 4.156,783 60.694,784 446.093,785 38,786 12.46,787 1.739,789 0.6,790 40.273,791 44.163,792 0.3,793 0.734,794 0.835,795 0.918,796 0.955,797 0.955,798 4.927,799 1.271,800 5.771,801 5.19,802 4.369,803 4.963,804 2.444,805 6.624,806 4.315,807 6.183,808 1.121,809 7.365,810 3.337,811 4.111,812 4.868,814 7.609,815 4.016,816 7.52,817 0.713,818 9.055,819 3.06,820 6.009,821 7.194,822 3.632,823 10.724,824 5.928,825 8.887,826 0.12,827 10.799,828 1.47,829 6.509,830 7.851,832 12.508,833 6.41,834 10.28,835 0.104,836 12.579,837 0.262,838 7.932,839 9.687,840 4.982,841 15.165,842 7.838,843 11.693,844 -0.28,845 14.383,846 0.212,847 8.779,848 10.707,850 17.292,851 8.677,852 13.123,853 -0.456,854 16.206,855 -0.516,856 10.022,857 12.328,858 6.383,859 19.781,860 9.92,861 3.222,862 -0.679,863 18.044,864 -1.263,865 11.031,866 13.537,868 22.058,869 10.922,870 2.957,871 11.193,872 19.893,873 -1.894,874 12.207,875 15.055,876 7.798,877 24.485,878 12.094,879 2.665,880 9.943,881 21.751,882 4.231,883 13.29,884 16.364,886 26.827,887 13.171,888 2.201,889 8.355,890 23.616,891 3.98,892 14.442,893 17.831,894 9.218,895 29.233,896 14.319,897 2.122,898 6.17,899 25.488,900 3.593,901 15.56,902 19.192,904 31.606,905 15.431,906 1.901,907 5.865,908 27.365,909 2.937,910 16.707,911 20.636,912 10.638,913 34.006,914 16.574,915 1.819,916 5.369,917 29.246,918 2.767,919 17.842,920 22.026,922 36.394,923 17.703,924 5892,925 10816,926 17.224,927 29.603,928 42.245,929 44.949,930 43.508,931 40.516,932 40.433,933 54.603,934 6.186,935 120.852,936 39.022,937 5.496,938 6.117,939 6.302,940 5.257,941 5.222,942 7.231,943 4.069,944 18.53,945 5.205,946 15.118,947 1.565,948 1.665,949 1.611,950 1.501,951 1.498,952 2.022,953 0.229,954 4.476,955 1.445,956 4.046,957 4.066,958 6.88,959 3.995,960 7.43,961 3.993,962 3.898,963 3.917,964 3.999,965 3.86,966 6.818,967 3.847,968 3.707,969 3.731,970 3.801,971 3.612,972 6.469,973 3.617,974 3.297,975 3.376,976 3.631,977 3.161,978 4.769,979 3.14,980 3.2,981 3.248,982 3.144,983 3.094,984 4.647,985 3.095,986 2.992,987 3.026,988 3.115,989 2.862,990 4.361,991 2.821,992 2.954,993 2.981,994 2.929,995 2.784,996 3.99,997 2.798,998 2.87,999 2.964,1000 2.763,1001 2.655,1002 3.753,1003 2.694,1004 0.171,1005 0.152,1006 0.252,1007 0.156,1008 0.119,1009 4.615,1010 0.157,1011 4.117,1012 0.075,1013 6.798,1014 0.415,1015 4.217,1016 0.119,1017 3.222,1018 4.231,1019 2.035,1020 11.193,1021 3.205,1022 2.007,1023 1.989,1024 2.089,1025 2.077,1026 1.247,1027 2.08,1028 1.891,1029 1.874,1030 1.962,1031 1.965,1032 1.107,1033 1.974,1034 1.665,1035 1.642,1036 1.745,1037 1.791,1038 0.841,1039 1.781,1040 1.329,1041 1.255,1042 1.649,1043 1.527,1044 0.731,1045 1.574,1046 1.144,1047 1.11,1048 1.352,1049 1.302,1050 0.411,1051 1.283,1052 0.925,1053 0.859,1054 1.236,1055 1.202,1056 0.294,1057 1.255,1058 0.897,1059 0.849,1060 1.107,1061 1.131,1062 0.139,1063 1.115,1064 0.87,1065 0.809,1066 1.045,1067 1.092,1068 0.077,1069 1.079,1070 4.007,1071 5.352,1073 6.899,1075 8.541,1077 10.234,1078 3.369,1079 3.899,1083 10.158,1085 2.697,1090 9.454,1091 1.998,1092 28.185,1093 63.835,1094 156.206,1095 177.858,1096 195.367,1097 203.367,1098 203.367,1099 53.222,1100 7.058,1101 76.88,1102 76.88,1103 18,1104 12.554,1105 4.087,1106 3.585,1107 41.326,1108 77,1109 70,1110 0.268,1111 181.731,1112 325.5,1113 435.183,1114 9375,1115 2.5,1116 18.137,1117 0.725,1118 0.612,1119 19.137,1120 15.308,1121 11.901,1122 0.441,1123 0.312,1124 7.639,1125 11.089,1126 7.3,1127 6.096,1128 12.478,1129 8.437,1130 11.063,1131 0.284,1132 0.175,1133 11.88,1134 6.808,1135 9.198,1136 0.177,1137 0.088,1138 9.722,1139 4.57,1140 7.648,1141 0.111,1142 0.045,1143 8.087,1144 3.139,1145 6.542,1146 0.072,1147 0.026,1148 7.23,1149 2.391,1150 0.402,1151 81.695,1152 0.241,1153 23.499,1154 0.799,1155 132,1156 388.518,1157 204.936,1158 425.798,1159 563.59,1160 392,1161 157,1162 382.062,1163 192.082,1164 408.119,1165 592.02,1166 382,1167 5.932}
{0 CHEMBL272921,1 1.844,2 16.25,3 5.088,4 25.892,5 162.475,6 8.898,7 0.255,8 4.387,9 4.489,10 4.077,11 3.943,12 5.604,13 3.938,14 4.958,15 5.116,16 4.538,17 4.361,18 6.436,19 4.339,20 5.244,21 5.417,22 4.669,23 4.569,24 6.497,25 4.529,26 5.397,27 5.586,28 4.707,29 4.59,30 6.75,31 4.553,32 5.374,33 5.561,34 4.743,35 4.606,36 6.673,37 4.558,38 5.406,39 5.605,40 4.843,41 4.613,42 6.82,43 4.558,44 5.376,45 5.597,46 4.712,47 4.522,48 6.743,49 4.478,50 5.249,51 5.427,52 4.711,53 4.433,54 6.925,55 4.403,56 0.254,57 1.22,58 10.616,59 6.758,60 49.296,61 7.555,62 1.154,63 2.32,64 25.844,65 11.717,66 179.475,67 13.853,68 0.921,69 2.371,70 39.694,71 16.282,72 139.912,73 19.396,74 1.68,75 2.626,76 50.884,77 18.048,78 281.608,79 20.304,80 1.527,81 2.531,82 51.663,83 17.924,84 237.718,85 20.806,86 1.748,87 2.468,88 59.546,89 19.552,90 277.238,91 23.665,92 1.566,93 2.559,94 58.222,95 18.551,96 252.366,97 22.757,98 1.898,99 2.359,100 44.751,101 15.11,102 354.146,103 17.582,104 156,105 69,106 0.285,107 0.644,108 0.826,109 0.871,110 0.871,111 0.871,112 3.81,113 0.931,114 -4.83,115 -4.74,116 -4.45,118 42.5,119 1,120 4,121 1,122 1,123 3,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 4,143 13,144 2,145 9,146 1,147 5,148 17,150 10,152 4,153 15,154 1,155 11,156 2,157 1,158 3,159 15,160 2,161 7,163 5,164 14,166 10,167 3,169 6,170 14,171 2,172 11,174 4,175 14,176 1,177 7,178 2,179 4,180 11,182 8,183 1,185 3,186 11,187 4386,188 28.504,189 28.504,190 28.504,191 28.504,192 28.504,193 26.127,194 37.264,195 16.181,196 29.234,197 22.985,198 22.985,199 22.985,200 22.985,201 22.985,202 18.992,203 44.691,204 7.435,205 24.294,206 4.345,207 2.022,208 0.841,209 0.552,210 0.552,211 0.552,212 4.492,213 2,216 1,217 1498,218 5.05,220 637.216,223 2.58,224 93.912,226 0.75,227 0.83,228 0.83,229 0.9,230 0.5,231 0.83,232 0.81,233 99.167,234 715,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.035,251 11.14,252 3.003,253 4.369,254 3.819,255 6.611,256 4.019,257 3.055,258 3.75,259 1.943,260 10.47,261 2.899,262 4.102,263 3.71,264 6.339,265 3.922,266 2.942,267 3.288,268 1.94,269 9.436,270 2.832,271 3.964,272 3.542,273 6.013,274 3.698,275 2.732,276 3.258,277 1.058,278 8.513,279 2.633,280 3.916,281 3.286,282 5.993,283 3.563,284 2.618,285 3.087,286 0.736,287 8.351,288 2.422,289 3.733,290 3.175,291 5.712,292 3.328,293 2.343,294 3.017,295 0.555,296 7.604,297 2.303,298 3.447,299 2.736,300 5.06,301 3.023,302 2.127,303 2.749,304 0.079,305 5.902,306 1.93,307 3.296,308 2.64,309 4.979,310 2.899,311 1.959,312 2.385,314 5.587,315 1.75,316 3.237,317 2.454,318 4.969,319 2.832,320 1.863,321 2.149,322 5.404,323 1.713,324 3.088,325 2.398,326 4.61,327 2.541,328 1.569,329 2.013,330 4.608,331 1.514,332 2.902,333 2.105,334 4.591,335 2.45,336 1.566,337 1.987,338 4.428,339 1.388,340 2.852,341 2.024,342 4.212,343 2.403,344 1.431,345 1.791,346 3.798,347 1.315,348 2.608,349 1.847,350 4.079,351 2.207,352 1.211,353 1.574,354 3.226,355 1.189,356 2.582,357 1.583,358 3.637,359 1.984,360 1,361 1.19,362 2.275,363 0.983,364 20.719,365 0.471,366 1.515,367 0.034,368 51,369 1.159,370 23,371 0.523,372 28,373 0.636,374 50.409,375 1.146,376 48.881,377 0.67,378 53.465,379 1.215,380 9.918,381 0.225,382 10.825,383 0.246,384 0.242,385 0.024,386 0.376,387 3,389 0.61,390 1.073,391 0.575,392 0.973,393 0.577,394 0.904,395 0.471,396 0.779,397 0.599,398 0.824,399 0.409,400 0.843,401 0.733,402 0.947,403 0.82,404 1.043,405 0.658,406 0.999,407 1.11,408 0.894,409 0.918,410 0.872,411 1.107,412 0.933,413 0.93,414 0.854,415 0.949,416 0.949,417 0.949,418 0.968,419 0.641,420 0.872,421 0.843,422 1.035,423 0.647,424 0.963,425 0.822,426 0.946,427 0.82,428 0.922,429 0.784,430 0.839,431 0.838,432 0.832,433 0.911,434 0.918,435 0.829,436 0.95,437 11.5,438 0.45,439 6.889,440 4.063,441 3.324,442 2.451,443 1.629,444 1.314,445 0.801,446 0.555,447 31555,448 114788,449 1.949,450 39.7,451 5,452 15,455 2,456 3,457 4,458 1.824,459 1.754,460 3.916,461 0.171,465 134.641,466 1.844,467 4.168,468 5.349,469 5.638,470 5.638,471 5.638,472 3.409,473 5.079,474 5.426,475 4.122,476 3898.96,477 9.621,478 71689.6,483 451.857,484 1.695,485 5.341,486 0.245,487 0.009,488 0.1,489 0.052,490 0.043,491 0.032,492 0.021,493 0.018,494 0.011,495 0.01,496 0.54,497 0.17,498 0.88,499 1.148,500 255.321,501 -0.046,502 -0.076,503 0.003,504 -0.002,505 -0.043,506 0.016,507 0.271,508 0.264,509 0.118,510 0.135,511 0.274,512 0.101,513 -0.047,514 -0.115,515 0.013,516 -0.07,517 0.008,518 -0.009,519 -0.149,520 -0.004,521 -0.043,522 0.078,523 -0.117,524 0.027,525 -0.077,526 -0.016,527 -0.002,528 0.02,529 -0.092,530 0.014,531 0.165,532 -0.071,533 0.198,534 -0.036,535 0.135,536 0.065,537 0.043,538 -0.094,539 0.186,540 0.058,541 0.064,542 0.189,543 0.198,544 0.109,545 0.074,546 0.044,547 0.23,548 -0.004,549 5.955,550 6.24,551 0.545,552 59.093,553 1.03,554 1.137,555 3.601,556 12.97,557 0.682,558 3.871,559 4.248,560 4.511,561 4.745,562 5.004,563 5.147,564 5.273,565 5.371,566 5.447,567 5.545,568 9.177,569 0.666,570 649.54,571 3.871,572 5.451,573 6.312,574 7.212,575 8.093,576 8.995,577 9.884,578 10.788,579 11.682,580 12.587,581 5.5,584 3,586 1,589 5,592 7,594 12,597 1,599 2,600 73,601 18,602 2,603 47,605 76,606 31,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 2,616 2,617 1,618 1,619 4,620 1,621 19,622 11,623 1,624 5,625 3,626 1,628 6,631 3,633 29,634 11,635 2,636 13,637 2,639 4,641 1,642 4,647 4,650 1,652 1,653 2,654 2,655 2,661 4,663 2,664 2,665 3,667 44,668 1,669 7,670 1,672 1,673 2,674 1,675 1,676 1,677 1,678 5,679 5.5,680 1,681 3,684 25.083,685 13.848,686 9.611,687 4.552,688 3.018,689 1.353,690 0.95,691 10.486,692 11.57,693 4.111,694 4.673,695 5.212,696 5.728,697 6.268,698 6.61,699 6.985,700 7.344,701 7.692,702 7.976,703 0.909,704 78,705 17.132,706 8.197,707 8.34,708 29.879,709 24.76,710 2.84,711 124.972,714 317.82,715 157.881,716 55.319,717 78.297,718 118.118,719 44.88,721 157.881,722 514.235,723 100.199,724 17.222,725 40.715,726 56.857,727 151.591,728 102.054,730 317.82,731 86.057,732 317.82,733 213.2,734 162.998,735 78.297,737 270.735,738 210.083,741 88.359,742 112.608,743 90.53,745 362.7,746 173.437,747 236.178,749 325.579,750 59.441,751 80.328,752 34.612,753 272.355,754 317.82,755 218.317,756 236.178,758 0.596,759 0.352,760 0.18,761 0.099,762 31,763 18,764 0.092,765 7,767 1,768 4.887,769 460.779,771 24,772 231.46,773 33.553,774 13.751,775 7.496,777 218.317,778 5.364,781 -1.232,783 60.694,784 772.315,785 60,786 38.359,787 1.249,789 -1.671,790 75.156,791 82.966,792 0.298,793 0.673,794 0.864,795 0.911,796 0.911,797 0.911,798 5.412,799 2.127,800 6.358,801 7.604,802 4.934,803 5.361,804 3.813,805 7.235,806 4.834,807 6.651,808 1.959,809 7.976,810 5.902,811 4.796,812 5.345,813 4.063,814 8.373,815 4.575,816 7.99,817 1.863,818 9.697,819 5.587,820 6.637,821 7.522,822 5.704,823 11.424,824 6.446,825 9.359,826 1.569,827 11.476,828 5.404,829 7.252,830 8.254,831 6.743,832 13.318,833 6.953,834 10.757,835 1.566,836 13.29,837 4.608,838 8.643,839 9.987,840 8.139,841 15.947,842 8.349,843 12.175,844 1.431,845 15.129,846 4.428,847 9.571,848 11.058,849 9.404,850 18.143,851 9.189,852 13.608,853 1.211,854 16.985,855 3.798,856 10.807,857 12.618,858 10.756,859 20.634,860 10.405,861 3.347,862 1,863 18.855,864 3.226,865 11.868,866 13.858,867 12.078,868 22.96,869 11.394,870 3.209,871 11.766,872 20.735,873 2.275,874 13.052,875 15.344,876 13.422,877 25.404,878 12.542,879 3.055,880 11.14,881 22.624,882 4.268,883 14.172,884 16.671,885 14.759,886 27.787,887 13.6,888 2.942,889 10.47,890 24.52,891 4.122,892 15.341,893 18.125,894 16.101,895 30.22,896 14.725,897 2.732,898 9.436,899 26.422,900 3.75,901 16.489,902 19.5,903 17.441,904 32.63,905 15.816,906 2.618,907 8.513,908 28.33,909 3.288,910 17.656,911 20.94,912 18.783,913 35.062,914 16.936,915 2.343,916 8.351,917 30.241,918 3.258,919 18.818,920 22.342,921 20.125,922 37.487,923 18.044,924 30981,925 59686,926 29.361,927 49.79,928 73.798,929 76.869,930 75.543,931 71.766,932 71.216,933 87.659,934 24.344,935 216.134,936 67.286,937 5.641,938 6.461,939 6.894,940 5.304,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 32.195,947 1.57,948 1.636,949 1.607,950 1.527,951 1.515,952 1.865,953 0.518,954 4.599,955 1.432,956 4.062,957 4.082,958 4.104,959 3.998,960 8.513,961 4,962 3.935,963 3.969,964 4.01,965 3.868,966 7.999,967 3.867,968 3.891,969 3.923,970 3.816,971 3.75,972 7.999,973 3.755,974 3.734,975 3.764,976 3.754,977 3.615,978 7.432,979 3.628,980 3.657,981 3.706,982 3.577,983 3.5,984 7.426,985 3.497,986 3.495,987 3.567,988 3.549,989 3.284,990 7.425,991 3.295,992 3.316,993 3.349,994 3.428,995 3.082,996 6.818,997 3.1,998 3.23,999 3.288,1000 3.32,1001 3.046,1002 6.468,1003 3.085,1004 0.099,1005 0.095,1006 0.152,1007 0.091,1008 0.071,1009 4.641,1010 0.091,1011 4.461,1012 0.081,1013 7.125,1014 0.25,1015 4.262,1016 0.068,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.058,1025 2.078,1026 1.414,1027 2.073,1028 1.904,1029 1.887,1030 2.035,1031 2.045,1032 1.226,1033 2.045,1034 1.853,1035 1.805,1036 1.959,1037 1.972,1038 1.171,1039 1.972,1040 1.674,1041 1.649,1042 1.915,1043 1.85,1044 1.143,1045 1.864,1046 1.643,1047 1.588,1048 1.762,1049 1.805,1050 0.896,1051 1.798,1052 1.441,1053 1.372,1054 1.658,1055 1.683,1056 0.825,1057 1.68,1058 1.181,1059 1.131,1060 1.513,1061 1.436,1062 0.756,1063 1.442,1064 1.153,1065 1.081,1066 1.455,1067 1.404,1068 0.621,1069 1.429,1070 4.554,1071 5.916,1073 7.468,1075 9.105,1077 10.788,1079 3.512,1080 12.578,1081 40.359,1083 11.236,1084 3.174,1085 2.488,1087 -0.305,1088 3.209,1089 -4.705,1090 9.647,1091 1.711,1092 48.652,1093 134.641,1094 304.234,1095 390.473,1096 411.593,1097 411.593,1098 411.593,1099 194.352,1100 8.552,1101 117.5,1102 117.5,1103 24,1104 13.108,1105 4.248,1106 3.807,1107 85.207,1108 239,1109 312,1110 0.171,1111 303.926,1112 567.09,1113 733.339,1114 71030,1115 6.8,1116 32.344,1117 0.735,1118 0.577,1119 30.844,1120 25.406,1121 20.743,1122 0.441,1123 0.31,1124 13.678,1125 19.274,1126 13.317,1127 10.951,1128 20.109,1129 14.593,1130 19.834,1131 0.287,1132 0.167,1133 18.656,1134 11.509,1135 16.119,1136 0.179,1137 0.091,1138 15.751,1139 8.165,1140 12.859,1141 0.113,1142 0.051,1143 12.854,1144 5.771,1145 10.258,1146 0.069,1147 0.028,1148 10.663,1149 4.08,1150 0.271,1151 137.362,1152 0.185,1153 38.693,1154 0.46,1155 232,1156 929.365,1157 296.046,1158 874.419,1159 1113.08,1160 802,1161 275,1162 722.609,1163 323.743,1164 733.366,1165 1092.4,1166 686,1167 7.222}
{0 CHEMBL391106,1 1.611,2 10.233,3 5.322,4 28.325,5 119.599,6 9.848,7 0.545,8 3.898,9 3.972,10 3.696,11 3.617,12 5.192,13 3.596,14 4.339,15 4.426,16 4.099,17 4.014,18 5.613,19 3.974,20 4.641,21 4.768,22 4.247,23 4.178,24 5.919,25 4.121,26 4.683,27 4.826,28 4.237,29 4.158,30 6.051,31 4.094,32 4.702,33 4.857,34 4.342,35 4.16,36 6.021,37 4.102,38 4.681,39 4.824,40 4.318,41 4.09,42 6.177,43 4.053,44 4.595,45 4.74,46 4.179,47 3.967,48 6.073,49 3.932,50 4.508,51 4.67,52 3.981,53 3.864,54 5.94,55 3.797,56 0.078,57 0.49,58 4.204,59 3.063,60 12.582,61 3.373,62 0.124,63 0.76,64 6.951,65 5.053,66 14.901,67 5.96,68 0.258,69 1.051,70 17.714,71 7.972,72 43.773,73 9.112,74 0.376,75 1.144,76 19.551,77 8.488,78 64.577,79 9.864,80 0.38,81 1.179,82 23.814,83 8.912,84 63.374,85 10.067,86 0.522,87 1.137,88 20.098,89 8.44,90 89.545,91 9.266,92 0.477,93 1.054,94 18.623,95 7.694,96 75.051,97 7.901,98 0.464,99 0.972,100 19.279,101 7.503,102 80.604,103 7.978,104 27,105 47,106 0.272,107 0.564,108 0.715,109 0.861,110 0.89,111 0.89,112 3.441,113 0.886,114 -5.39,115 -5.27,116 -4.93,118 54.5,128 1,129 2,130 1,131 11,132 4,133 3,140 2,143 16,145 2,146 1,147 5,148 25,150 2,152 4,153 25,154 1,155 5,156 1,157 1,158 5,159 20,161 3,163 5,164 18,166 7,167 1,169 8,170 13,172 7,174 7,175 14,177 4,178 1,179 4,180 15,182 4,185 2,186 15,187 1436,188 20.231,189 20.231,190 20.231,191 20.231,192 20.231,193 17.363,194 15.177,195 11.755,196 20.55,197 16.203,198 16.203,199 16.203,200 16.203,201 16.203,202 11.814,203 16.353,204 5.485,205 16.828,206 3.849,207 2.115,208 1.217,209 0.352,210 0.182,211 0.182,212 4.134,213 2,215 1,216 1,217 660,218 2.55,220 381.832,223 1.516,224 36.142,226 0.75,227 1,228 1,229 0.4,231 1,232 0.74,233 63.667,234 307,235 4.617,236 4.118,237 6.798,238 4.211,239 3.226,240 4.238,241 2.035,242 11.195,243 3.178,244 4.388,245 3.54,246 6.476,247 3.992,248 3.008,249 4.055,250 1.058,251 10.073,252 2.965,253 4.116,254 3.229,255 6.089,256 3.713,257 2.74,258 3.655,260 8.844,261 2.664,262 4.017,263 3.106,264 5.988,265 3.587,266 2.611,267 3.511,269 8.318,270 2.513,271 3.511,272 2.777,273 5.07,274 3.023,275 2.125,276 2.777,278 5.868,279 1.944,280 3.469,281 2.733,282 5.044,283 2.969,284 1.996,285 2.764,287 5.777,288 1.882,289 3.274,290 2.449,291 4.862,292 2.762,293 1.819,294 2.498,296 5.19,297 1.741,298 3.22,299 2.189,300 4.454,301 2.728,302 1.778,303 2.344,305 4.459,306 1.515,307 3.14,308 1.83,309 4.122,310 2.256,311 1.271,312 1.856,314 3.337,315 1.237,316 2.636,317 1.552,318 3.971,319 2.144,320 1.151,321 1.69,322 3.066,323 1.141,324 2.629,325 1.216,326 3.506,327 2.117,328 1.119,329 1.644,330 2.682,331 1.115,332 2.572,333 1.157,334 3.388,335 2,336 1,337 1.5,338 2.136,339 1,340 2.5,341 1,342 3.247,343 1.683,344 0.712,345 1.153,346 1.469,347 0.684,348 1.525,349 0.907,350 2.777,351 0.943,352 0.112,353 0.137,354 0.237,355 0.069,356 1.352,357 0.801,358 2.665,359 0.884,364 14.895,365 0.497,366 0.784,367 0.026,368 44.25,369 1.475,370 26,371 0.867,372 18.25,373 0.608,374 22.611,375 0.754,376 28.905,377 0.657,378 35.832,379 1.194,380 8.855,381 0.295,382 5.619,383 0.187,384 0.168,386 0.369,389 0.691,390 0.828,391 0.52,392 0.651,393 0.639,394 0.663,395 0.541,396 1,397 0.612,398 0.861,399 0.518,400 0.873,401 0.937,402 1.048,403 0.933,404 1.003,405 0.819,406 0.984,407 0.871,408 1.031,409 0.934,410 1.023,411 0.824,412 1.03,413 0.979,414 1.011,415 0.736,416 0.866,417 1.054,418 0.873,419 0.955,420 1.093,421 0.805,422 1,423 1.05,424 0.93,425 1.25,426 1.093,427 0.876,428 1.024,429 1.322,430 0.981,431 1.252,432 0.948,433 1.013,434 0.988,435 1.257,436 1.022,437 6,438 0.124,439 4,440 2.188,441 1.982,442 1.562,443 0.896,444 0.556,445 0.406,446 0.247,447 10677,448 36603,449 2.067,450 31.8,452 12,455 2,458 1.735,459 1.915,460 3.336,461 0.177,465 70.873,466 1.611,467 3.344,468 4.242,469 5.107,470 5.278,471 5.278,472 2.737,473 4.348,474 4.88,475 3.473,476 1510.78,477 8.548,478 20242.5,483 240.215,484 1.475,485 4.828,486 0.182,487 0.006,488 0.085,489 0.042,490 0.04,491 0.031,492 0.018,493 0.013,494 0.012,495 0.009,496 0.436,497 0.33,498 1,499 0.758,500 151.281,501 -0.08,502 0.103,503 -0.012,504 0.099,505 -0.076,506 0.072,507 0.061,508 -0.089,509 -0.007,510 -0.068,511 0.021,512 -0.084,513 -0.091,514 -0.112,515 -0.079,516 -0.088,517 -0.041,518 -0.072,519 0.039,520 -0.051,521 -0.058,522 -0.084,523 0.066,524 -0.087,525 -0.018,526 -0.013,527 0.168,528 0.102,529 -0.067,530 0.102,531 0.182,532 -0.078,533 0.11,534 -0.039,535 0.161,536 0.014,537 -0.005,538 -0.058,539 0.031,540 -0.06,541 -0.01,542 -0.045,543 -0.047,544 0.067,545 -0.036,546 0.025,547 -0.018,548 -0.021,549 2.245,550 5.665,551 0.8,552 25.6,553 1.016,554 1.096,555 4.161,556 17.317,557 0.772,558 3.526,559 3.871,560 4.174,561 4.454,562 4.736,563 4.82,564 4.956,565 5.069,566 5.159,567 5.215,568 6.174,569 0.746,570 433.3,571 3.526,572 5.081,573 5.948,574 6.841,575 7.727,576 8.625,577 9.519,578 10.42,579 11.318,580 12.221,581 4.5,584 1,586 1,589 11,592 7,594 18,597 1,599 2,600 44,601 22,602 3,603 33,605 47,606 24,607 18,608 7,609 11,610 5,611 4,612 4,613 2,620 1,621 23,624 3,625 1,626 1,628 4,633 14,634 4,635 2,636 6,637 2,639 2,641 1,642 2,647 4,650 1,652 1,654 2,655 2,661 4,664 2,667 30,668 1,670 1,675 1,676 1,677 1,678 2,679 4.5,680 1,681 1,684 15.667,685 8.102,686 6.611,687 2.505,688 3.815,689 1.494,690 1.001,691 5.542,692 11.542,693 3.871,694 4.483,695 5.107,696 5.707,697 6.293,698 6.587,699 7.014,700 7.412,701 7.796,702 8.117,703 0.857,704 52,705 11.061,706 4.857,707 7.985,708 20.452,709 16.874,710 2.485,711 74.556,714 141.253,715 163.893,716 49.07,717 78.297,718 67.828,721 163.893,722 287.379,723 49.07,725 18.011,726 113.715,727 91.891,728 57.174,730 141.253,731 78.297,732 141.253,733 212.963,734 67.828,735 78.297,737 141.253,738 67.828,741 49.07,742 151.66,743 90.53,745 141.253,746 116.898,747 242.19,749 141.253,750 33.576,751 113.715,752 34.612,753 177.185,754 141.253,755 116.898,756 242.19,758 0.585,759 0.354,760 0.195,761 0.113,762 23,763 11,764 0.064,765 3,767 1,768 3.951,769 280.62,771 24,772 140.452,773 20.093,774 8.274,775 3.962,777 116.898,778 19.653,781 3.509,783 60.694,784 500.342,785 47,786 12.665,787 1.626,789 0.042,790 44.691,791 48.21,792 0.295,793 0.613,794 0.777,795 0.935,796 0.967,797 0.967,798 5.121,799 1.778,800 5.948,801 5.19,802 4.554,803 5.17,804 2.444,805 6.792,806 4.486,807 6.363,808 1.271,809 7.531,810 4.459,811 4.205,812 4.966,814 7.758,815 4.069,816 7.688,817 1.151,818 9.214,819 3.337,820 6.18,821 7.391,822 3.632,823 10.881,824 6.075,825 9.047,826 1.119,827 10.956,828 3.066,829 6.635,830 7.98,832 12.66,833 6.485,834 10.435,835 1,836 12.734,837 2.682,838 8.096,839 9.875,840 4.982,841 15.305,842 7.964,843 11.844,844 0.712,845 14.538,846 2.136,847 8.918,848 10.852,850 17.422,851 8.757,852 13.271,853 0.112,854 16.359,855 1.469,856 10.177,857 12.506,858 6.383,859 19.899,860 10.021,861 3.226,863 18.195,864 0.237,865 11.17,866 13.687,868 22.164,869 10.994,870 3.008,871 11.195,872 20.041,874 12.35,875 15.223,876 7.798,877 24.58,878 12.17,879 2.74,880 10.073,881 21.895,882 4.238,883 13.423,884 16.513,886 26.913,887 13.226,888 2.611,889 8.844,890 23.756,891 4.055,892 14.574,893 17.99,894 9.218,895 29.309,896 14.37,897 2.125,898 8.318,899 25.622,900 3.655,901 15.685,902 19.34,904 31.675,905 15.465,906 1.996,907 5.868,908 27.493,909 3.511,910 16.829,911 20.789,912 10.638,913 34.068,914 16.599,915 1.819,916 5.777,917 29.369,918 2.777,919 17.958,920 22.172,922 36.45,923 17.714,924 10261,925 19170,926 21.789,927 33.966,928 51.346,929 54.36,930 51.966,931 49.555,932 49.335,933 67.641,934 6.186,935 145.305,936 47.297,937 5.5,938 6.118,939 6.6,940 5.252,941 5.226,942 7.238,943 4.069,944 18.534,945 5.178,946 15.647,947 1.556,948 1.647,949 1.575,950 1.502,951 1.495,952 2.05,953 0.187,954 4.403,955 1.433,956 4.06,957 4.077,958 4.121,959 4.01,960 7.43,961 4.009,962 3.942,963 3.959,964 3.967,965 3.904,966 6.818,967 3.898,968 3.791,969 3.815,970 3.795,971 3.725,972 6.469,973 3.721,974 3.663,975 3.686,976 3.653,977 3.57,978 5.014,979 3.576,980 3.197,981 3.247,982 3.609,983 3.076,984 4.807,985 3.088,986 3.003,987 3.027,988 3.161,989 2.883,990 4.67,991 2.869,992 2.99,993 3.014,994 2.965,995 2.861,996 4.57,997 2.855,998 2.904,999 2.925,1000 2.914,1001 2.778,1002 4.342,1003 2.781,1004 0.14,1005 0.125,1006 0.206,1007 0.128,1008 0.098,1009 4.617,1010 0.128,1011 4.118,1012 0.062,1013 6.798,1014 0.339,1015 4.211,1016 0.096,1017 3.226,1018 4.238,1019 2.035,1020 11.195,1021 3.178,1022 2.015,1023 1.999,1024 2.092,1025 2.083,1026 1.225,1027 2.085,1028 1.935,1029 1.92,1030 1.991,1031 1.995,1032 1.137,1033 2.003,1034 1.78,1035 1.756,1036 1.881,1037 1.866,1038 0.972,1039 1.876,1040 1.624,1041 1.603,1042 1.705,1043 1.747,1044 0.777,1045 1.739,1046 1.146,1047 1.112,1048 1.24,1049 1.304,1050 0.311,1051 1.281,1052 0.959,1053 0.926,1054 1.181,1055 1.155,1056 0.239,1057 1.145,1058 0.899,1059 0.864,1060 1.162,1061 1.135,1062 0.218,1063 1.115,1064 0.886,1065 0.827,1066 1.115,1067 1.062,1068 0.142,1069 1.107,1070 4.205,1071 5.541,1073 7.086,1075 8.724,1077 10.411,1080 12.422,1083 10.479,1085 2.693,1090 9.534,1091 1.932,1092 32.815,1093 70.873,1094 147.142,1095 186.651,1096 224.705,1097 232.215,1098 232.215,1099 64.948,1100 7.726,1101 76.88,1102 76.88,1103 24,1104 12.742,1105 4.524,1106 3.907,1107 46.705,1108 110,1109 118,1110 0.207,1111 208.676,1112 374.66,1113 500.93,1114 23245,1115 4.5,1116 21.25,1117 0.708,1118 0.567,1119 22.25,1120 16.999,1121 14.474,1122 0.439,1123 0.295,1124 9,1125 13.633,1126 8.735,1127 7.207,1128 15.051,1129 9.749,1130 13.116,1131 0.279,1132 0.159,1133 13.895,1134 7.478,1135 11.292,1136 0.176,1137 0.083,1138 11.913,1139 5.322,1140 9.497,1141 0.112,1142 0.043,1143 9.991,1144 3.686,1145 8.025,1146 0.071,1147 0.024,1148 8.805,1149 2.738,1150 0.317,1151 95.109,1152 0.214,1153 27.751,1154 0.596,1155 160,1156 482.27,1157 198.105,1158 541.841,1159 714.72,1160 500,1161 191,1162 474.054,1163 219.286,1164 507.649,1165 740.77,1166 478,1167 6.155}
{0 CHEMBL391586,1 1.643,2 7.913,3 3.223,4 10.39,5 92.476,6 10.8,7 0.48,8 3.641,9 3.719,10 3.52,11 3.345,12 4.954,13 3.323,14 4.065,15 4.156,16 3.937,17 3.728,18 5.346,19 3.685,20 4.356,21 4.489,22 4.044,23 3.868,24 5.646,25 3.809,26 4.375,27 4.526,28 4.019,29 3.809,30 5.799,31 3.753,32 4.366,33 4.526,34 4.128,35 3.761,36 5.742,37 3.722,38 4.31,39 4.461,40 3.938,41 3.7,42 5.788,43 3.637,44 4.124,45 4.278,46 3.913,47 3.497,48 5.602,49 3.443,50 3.926,51 4.098,52 3.663,53 3.305,54 5.389,55 3.188,56 0.065,57 0.396,58 2.25,59 2.487,60 11.534,61 2.601,62 0.101,63 0.605,64 3.491,65 4.092,66 13.328,67 4.633,68 0.186,69 0.825,70 17.669,71 6.607,72 35.202,73 7.024,74 0.292,75 0.887,76 14.674,77 6.553,78 54.961,79 7.25,80 0.304,81 0.878,82 15.115,83 6.47,84 49.565,85 6.681,86 0.356,87 0.812,88 23.927,89 6.704,90 67.468,91 6.459,92 0.27,93 0.678,94 11.355,95 5.203,96 49.178,97 4.932,98 0.234,99 0.557,100 8.452,101 4.464,102 53.35,103 4.526,104 18,105 35,106 0.296,107 0.627,108 0.753,109 0.859,110 0.874,111 0.874,112 3.19,113 0.913,114 -4.21,115 -4.15,116 -3.92,117 1,118 52.9,128 1,129 2,130 1,131 8,132 2,133 2,140 2,143 11,145 2,146 1,147 5,148 16,150 2,152 4,153 15,154 1,155 5,156 1,157 1,158 3,159 9,161 5,163 6,164 9,166 6,167 1,169 4,170 8,172 5,174 3,175 9,177 1,178 1,179 2,180 7,182 2,185 1,186 5,187 642,188 15.508,189 15.508,190 15.508,191 15.508,192 15.508,193 13.353,194 13.618,195 9.097,196 15.744,197 12.265,198 12.265,199 12.265,200 12.265,201 12.265,202 8.948,203 15.747,204 4.225,205 12.712,206 3.444,207 1.604,208 0.905,209 0.316,210 0.235,211 0.235,212 3.867,214 1,215 1,216 1,217 385,218 2.236,220 215.305,223 1.149,224 26.754,225 1,226 1,227 1,228 1,229 0.4,231 1,232 0.77,233 48.75,234 182,235 4.579,236 4.117,237 6.714,238 4.177,239 3.185,240 4.163,241 2.035,242 10.904,243 3.158,244 4.307,245 3.535,246 6.418,247 3.891,248 2.913,249 3.924,250 1.058,251 9.835,252 2.84,253 3.836,254 3.133,255 5.664,256 3.439,257 2.439,258 3.281,260 7.396,261 2.437,262 3.626,263 2.822,264 5.141,265 3.097,266 2.196,267 2.933,269 6.166,270 1.962,271 3.352,272 2.685,273 4.874,274 2.812,275 1.901,276 2.524,278 5.369,279 1.745,280 3.236,281 2.212,282 4.556,283 2.747,284 1.742,285 2.368,287 4.478,288 1.604,289 3.137,290 2.011,291 4.025,292 2.275,293 1.281,294 1.88,296 3.199,297 1.267,298 2.651,299 1.441,300 3.622,301 2.125,302 1.128,303 1.651,305 2.799,306 1.124,307 2.576,308 1.192,309 3.28,310 2,311 1,312 1.5,314 2.136,315 1,316 2.5,317 1,318 3.247,319 1.664,320 0.692,321 1.128,322 1.395,323 0.668,324 1.479,325 0.859,326 2.688,327 0.962,328 0.112,329 0.137,330 0.236,331 0.078,332 1.308,333 0.688,334 2.649,335 0.717,336 -0.275,337 -0.452,338 -0.491,339 -0.254,340 0.988,341 0.166,342 2.367,343 0.557,344 -0.419,345 -0.542,346 -1.098,347 -0.403,348 0.71,349 -0.259,350 2.269,351 0.289,352 -0.67,353 -0.87,354 -1.743,355 -0.501,356 0.541,357 -0.611,358 2.052,359 0.04,360 -0.948,361 -1.183,362 -2.279,363 -0.784,364 11.8,365 0.513,366 0.575,367 0.025,368 33.75,369 1.467,370 20,371 0.87,372 13.75,373 0.598,374 16.204,375 0.705,376 21.8,377 0.641,378 23.756,379 1.033,380 6.622,381 0.288,382 4.474,383 0.195,384 0.203,386 0.339,389 0.773,390 0.833,391 0.474,392 0.614,393 0.655,394 0.656,395 0.528,396 1.005,397 0.588,398 0.826,399 0.517,400 0.883,401 0.947,402 1.08,403 0.952,404 1.033,405 0.814,406 1.008,407 0.852,408 1.037,409 0.72,410 0.937,411 0.818,412 0.989,413 1.063,414 1.038,415 0.646,416 0.9,417 1.15,418 0.884,419 1.268,420 1.014,421 1.279,422 1.108,423 1.312,424 1.048,425 1.38,426 1.034,427 0.834,428 0.953,429 1.553,430 0.976,431 1.257,432 0.975,433 1.026,434 0.943,435 1.285,436 1.106,437 4.5,438 0.012,439 2.889,440 1.75,441 1.569,442 1.007,443 0.611,444 0.352,445 0.16,446 0.072,447 4883,448 17402,449 2.041,450 32.4,452 9,455 2,458 1.665,459 1.89,460 3.011,461 0.278,462 1,465 55.861,466 1.643,467 3.484,468 4.183,469 4.771,470 4.852,471 4.852,472 2.426,473 3.882,474 4.497,475 3.12,476 789.32,477 7.785,478 8765.94,479 1,480 1,481 1,482 1,483 172.974,484 1.478,485 4.443,486 0.18,487 0.006,488 0.083,489 0.046,490 0.044,491 0.029,492 0.02,493 0.014,494 0.009,495 0.008,496 0.438,497 0.5,498 1,499 0.832,500 105,501 -0.109,502 0.106,503 -0.008,504 0.094,505 -0.077,506 0.076,507 0.087,508 -0.093,509 0.001,510 -0.062,511 0.019,512 -0.093,513 -0.088,514 -0.149,515 -0.081,516 -0.122,517 -0.034,518 -0.092,519 0.109,520 -0.049,521 -0.014,522 -0.056,523 0.116,524 -0.062,525 -0.006,526 -0.028,527 0.081,529 -0.075,530 0.062,531 -0.062,532 -0.015,533 -0.143,534 -0.09,535 -0.029,536 -0.089,537 -0.127,538 -0.033,539 0.05,540 0.001,541 -0.152,542 -0.028,543 -0.116,544 0.014,545 0.018,546 0.082,547 -0.067,548 -0.091,549 2.15,550 5.263,551 0.783,552 16.011,553 1.015,554 1.098,555 2.982,556 8.893,557 0.767,558 3.258,559 3.584,560 3.871,561 4.143,562 4.394,563 4.419,564 4.543,565 4.595,566 4.575,567 4.466,568 4.996,569 0.739,570 367.21,571 3.258,572 4.796,573 5.652,574 6.538,575 7.416,576 8.308,577 9.195,578 10.089,579 10.98,580 11.876,581 5.9,584 1,586 1,589 8,592 4,594 12,597 1,599 1,600 34,601 16,602 2,603 25,604 1,605 36,606 18,607 12,608 4,609 8,610 5,611 3,612 3,620 1,621 17,624 3,625 1,626 1,628 4,629 1,630 1,633 11,634 4,635 2,636 5,637 1,639 2,641 1,642 2,647 3,650 1,652 1,654 2,655 2,661 3,662 1,667 23,668 1,670 1,675 1,676 1,677 1,678 1,679 5.9,680 1,681 1,684 12.167,685 6.21,686 5.139,687 1.9,688 2.747,689 1.401,690 0.986,691 4.226,692 9.602,693 3.611,694 4.19,695 4.796,696 5.378,697 5.926,698 6.142,699 6.55,700 6.905,701 7.196,702 7.329,703 1,704 38,705 8.463,706 3.658,707 8.025,708 15.623,709 12.686,710 2.525,711 58.083,714 105.94,715 125.147,716 95.024,718 67.828,721 171.101,722 173.768,723 49.07,725 18.011,726 85.286,727 91.891,728 46.857,730 105.94,731 45.954,732 105.94,733 174.217,734 67.828,736 45.954,737 105.94,738 67.828,741 49.07,742 112.914,743 12.233,744 45.954,745 105.94,746 116.898,747 171.101,749 105.94,750 23.259,751 85.286,752 80.567,753 98.888,754 105.94,755 116.898,756 171.101,758 0.579,759 0.35,760 0.196,761 0.112,762 17,763 8,764 0.056,765 2,767 1,768 3.373,769 188.48,771 18,772 100.042,773 15.392,774 6.314,775 3.013,777 116.898,778 14.171,781 2.077,783 60.694,784 393.939,785 36,786 12.263,787 1.705,789 0.551,790 34.505,791 37.333,792 0.323,793 0.685,794 0.822,795 0.938,796 0.954,797 0.954,798 4.852,799 1.128,800 5.645,801 3.199,802 4.263,803 4.875,804 2.444,805 6.479,806 4.201,807 6.088,808 1,809 7.22,810 2.799,811 3.892,812 4.635,814 7.434,815 3.772,816 7.408,817 0.692,818 8.898,819 2.136,820 5.872,821 7.072,822 3.632,823 10.556,824 5.779,825 8.763,826 0.112,827 10.635,828 1.395,829 6.312,830 7.631,832 12.335,833 6.19,834 10.146,835 -0.275,836 12.411,837 0.236,838 7.778,839 9.535,840 4.982,841 14.979,842 7.668,843 11.552,844 -0.419,845 14.213,846 -0.491,847 8.592,848 10.49,850 17.096,851 8.468,852 12.976,853 -0.67,854 16.034,855 -1.098,856 9.854,857 12.148,858 6.383,859 19.568,860 9.731,861 3.185,862 -0.948,863 17.869,864 -1.743,865 10.844,866 13.312,868 21.828,869 10.711,870 2.913,871 10.904,872 19.715,873 -2.279,874 12.025,875 14.848,876 7.798,877 24.236,878 11.889,879 2.439,880 9.835,881 21.569,882 4.163,883 13.096,884 16.125,886 26.558,887 12.951,888 2.196,889 7.396,890 23.43,891 3.924,892 14.248,893 17.598,894 9.218,895 28.942,896 14.096,897 1.901,898 6.166,899 25.297,900 3.281,901 15.356,902 18.936,904 31.291,905 15.196,906 1.742,907 5.369,908 27.168,909 2.933,910 16.498,911 20.378,912 10.638,913 33.667,914 16.332,915 1.281,916 4.478,917 29.043,918 2.524,919 17.625,920 21.749,922 36.03,923 17.45,924 4841,925 9239,926 16.414,927 26.08,928 38.881,929 41.511,930 39.082,931 37.254,932 37.176,933 50.979,934 6.186,935 107.825,936 35.765,937 5.461,938 6.117,939 6.516,940 5.217,941 5.185,942 7.163,943 4.069,944 18.062,945 5.158,946 11.646,947 1.555,948 1.66,949 1.563,950 1.49,951 1.487,952 2.039,953 0.247,954 4.313,955 1.431,956 4.029,957 4.049,958 6.88,959 3.974,960 7.43,961 3.973,962 3.875,963 3.895,964 3.979,965 3.836,966 6.818,967 3.823,968 3.685,969 3.711,970 3.771,971 3.586,972 6.469,973 3.591,974 3.2,975 3.248,976 3.61,977 3.095,978 4.786,979 3.095,980 2.994,981 3.018,982 3.144,983 2.863,984 4.651,985 2.822,986 2.954,987 2.964,988 2.938,989 2.791,990 4.358,991 2.807,992 2.854,993 2.925,994 2.771,995 2.735,996 3.762,997 2.715,998 2.848,999 2.897,1000 2.687,1001 2.65,1002 3.674,1003 2.694,1004 0.183,1005 0.165,1006 0.269,1007 0.167,1008 0.127,1009 4.579,1010 0.167,1011 4.117,1012 0.081,1013 6.714,1014 0.436,1015 4.177,1016 0.126,1017 3.185,1018 4.163,1019 2.035,1020 10.904,1021 3.158,1022 1.987,1023 1.969,1024 2.062,1025 2.063,1026 1.186,1027 2.063,1028 1.872,1029 1.854,1030 1.95,1031 1.942,1032 1.07,1033 1.955,1034 1.644,1035 1.62,1036 1.725,1037 1.774,1038 0.795,1039 1.763,1040 1.144,1041 1.111,1042 1.238,1043 1.302,1044 0.304,1045 1.28,1046 0.9,1047 0.863,1048 1.181,1049 1.14,1050 0.218,1051 1.116,1052 0.886,1053 0.849,1054 1.09,1055 1.092,1056 0.131,1057 1.107,1058 0.87,1059 0.821,1060 1.044,1061 1.062,1062 0.059,1063 1.079,1064 0.766,1065 0.726,1066 0.903,1067 0.996,1069 0.994,1070 3.932,1071 5.252,1073 6.786,1075 8.416,1077 10.096,1078 3.348,1083 10.059,1085 2.662,1090 9.294,1091 1.952,1092 25.132,1093 55.861,1094 118.444,1095 142.219,1096 162.219,1097 164.974,1098 164.974,1099 45.293,1100 6.854,1101 76.88,1102 76.88,1103 18,1104 12.402,1105 4.087,1106 3.585,1107 36.474,1108 70,1109 62,1110 0.268,1111 162.546,1112 290.9,1113 388.372,1114 7271,1115 2.9,1116 16.397,1117 0.713,1118 0.585,1119 17.397,1120 13.463,1121 11.097,1122 0.444,1123 0.304,1124 6.812,1125 10.284,1126 6.617,1127 5.478,1128 11.674,1129 7.609,1130 9.902,1131 0.283,1132 0.167,1133 10.719,1134 5.856,1135 8.383,1136 0.178,1137 0.085,1138 8.907,1139 3.972,1140 7.087,1141 0.114,1142 0.044,1143 7.526,1144 2.746,1145 5.875,1146 0.073,1147 0.025,1148 6.563,1149 1.988,1150 0.401,1151 76.867,1152 0.247,1153 21.967,1154 0.795,1155 120,1156 372.518,1157 192.936,1158 408.272,1159 537.97,1160 376,1161 142,1162 361.062,1163 177.082,1164 383.943,1165 557.21,1166 361,1167 5.273}
{0 CHEMBL391681,1 1.596,2 8.6,3 4.196,4 17.604,5 102.558,6 9.882,7 0.444,8 3.782,9 3.872,10 3.587,11 3.462,12 5.036,13 3.428,14 4.241,15 4.369,16 4.016,17 3.855,18 5.435,19 3.802,20 4.496,21 4.622,22 4.141,23 4.029,24 5.75,25 3.962,26 4.625,27 4.802,28 4.123,29 4.024,30 5.927,31 3.941,32 4.618,33 4.8,34 4.211,35 3.983,36 5.87,37 3.909,38 4.599,39 4.8,40 4.069,41 3.914,42 5.942,43 3.829,44 4.394,45 4.556,46 4.034,47 3.736,48 5.816,49 3.676,50 4.258,51 4.445,52 3.864,53 3.618,54 5.626,55 3.502,56 0.046,57 0.484,58 4.388,59 3.274,60 11.239,61 3.78,62 0.099,63 0.768,64 9.951,65 5.774,66 17.715,67 7.113,68 0.121,69 0.98,70 19.438,71 7.775,72 28.977,73 8.747,74 0.277,75 1.158,76 22.012,77 9.078,78 59.877,79 11.006,80 0.274,81 1.144,82 22.142,83 8.791,84 50.428,85 10.268,86 0.335,87 1.108,88 33.963,89 9.686,90 71.062,91 11.202,92 0.34,93 0.926,94 16.51,95 6.455,96 74.296,97 6.239,98 0.17,99 0.781,100 14.493,101 6.526,102 48.005,103 7.725,104 38,105 39,106 0.279,107 0.682,108 0.785,109 0.861,110 0.888,111 0.888,112 3.268,113 0.937,114 -4.66,115 -4.58,116 -4.3,117 1,118 50,119 2,128 1,129 2,130 1,131 6,132 4,133 2,140 2,143 13,145 2,146 1,147 5,148 20,150 2,152 4,153 20,154 1,155 5,156 1,157 1,158 3,159 14,161 5,163 6,164 10,166 8,167 1,169 5,170 11,172 5,174 3,175 10,177 3,178 1,179 4,180 9,182 2,185 1,186 8,187 862,188 16.455,189 16.455,190 16.455,191 16.455,192 16.455,193 14.223,194 18.469,195 9.39,196 16.691,197 13.215,198 13.215,199 13.215,200 13.215,201 13.215,202 9.747,203 20.159,204 4.346,205 13.662,206 3.726,207 1.417,208 0.825,209 0.388,210 0.238,211 0.238,212 3.942,215 1,216 1,217 451,218 2.449,220 237.596,223 1.216,224 27.7,226 1,227 1,228 1,229 0.6,231 1,232 0.8,233 52.75,234 215,235 4.612,236 4.117,237 6.794,238 4.214,239 3.22,240 4.226,241 2.035,242 11.175,243 3.202,244 4.333,245 3.537,246 6.444,247 3.932,248 2.955,249 3.979,250 1.058,251 9.937,252 2.882,253 4.09,254 3.134,255 5.996,256 3.671,257 2.673,258 3.609,260 8.348,261 2.664,262 3.626,263 3.052,264 5.152,265 3.169,266 2.207,267 2.938,269 6.195,270 2.168,271 3.516,272 2.698,273 5.141,274 3.096,275 2.157,276 2.789,278 6.139,279 1.961,280 3.351,281 2.498,282 4.874,283 2.812,284 1.901,285 2.523,287 5.369,288 1.715,289 3.217,290 2.214,291 4.743,292 2.717,293 1.712,294 2.233,296 4.824,297 1.604,298 3.052,299 2.094,300 4.109,301 2.305,302 1.307,303 1.887,305 3.384,306 1.3,307 2.706,308 1.523,309 3.977,310 2.152,311 1.159,312 1.683,314 3.118,315 1.149,316 2.589,317 1.202,318 3.41,319 1.733,320 0.756,321 1.217,322 1.556,323 0.734,324 1.549,325 0.968,326 2.786,327 0.988,328 0.113,329 0.138,330 0.242,331 0.079,332 1.375,333 0.688,334 2.649,335 0.959,340 1.212,341 0.314,342 2.47,343 0.716,344 -0.286,345 -0.459,346 -0.564,347 -0.268,348 0.812,349 0.002,350 2.367,351 0.486,352 -0.514,353 -0.621,354 -1.242,355 -0.45,356 0.777,357 -0.165,358 2.359,359 0.401,360 -0.554,361 -0.699,362 -1.508,363 -0.514,364 12.8,365 0.512,366 0.771,367 0.031,368 34.75,369 1.39,370 20,371 0.8,372 14.75,373 0.59,374 20.893,375 0.836,376 24.4,377 0.61,378 25.477,379 1.019,380 6.719,381 0.269,382 5.182,383 0.207,384 0.266,386 0.391,389 0.757,390 0.895,391 0.489,392 0.687,393 0.656,394 0.734,395 0.491,396 0.894,397 0.551,398 0.731,399 0.468,400 0.751,401 0.933,402 1.152,403 0.959,404 1.086,405 0.81,406 1.066,407 0.748,408 1.033,409 0.66,410 0.932,411 0.718,412 0.987,413 0.93,414 1.088,415 0.606,416 0.954,417 1.028,418 0.976,419 0.989,420 0.994,421 1.047,422 0.978,423 1.022,424 0.893,425 1.736,426 0.966,427 0.809,428 0.883,429 2.029,430 0.979,431 0.907,432 1.171,433 0.833,434 1.021,435 0.928,436 1.092,437 6,438 0.054,439 3.556,440 2.25,441 1.951,442 1.257,443 0.811,444 0.549,445 0.267,446 0.139,447 5961,448 19508,449 1.992,450 37.5,451 6,452 7,455 2,458 1.688,459 1.807,460 3.086,461 0.233,462 1,465 63.835,466 1.596,467 3.905,468 4.496,469 4.934,470 5.084,471 5.084,472 2.493,473 4.294,474 4.617,475 3.211,476 963.302,477 8.028,478 11287.3,480 1,482 1,483 212.877,484 1.554,485 4.541,486 0.222,487 0.011,488 0.091,489 0.052,490 0.048,491 0.032,492 0.022,493 0.018,494 0.011,495 0.011,496 0.518,497 0.33,498 1,499 0.866,500 117.593,501 -0.091,502 0.087,503 -0.006,504 0.079,505 -0.073,506 0.064,507 0.125,508 0.064,509 0.053,510 0.104,511 0.07,512 0.131,513 -0.091,514 -0.199,515 -0.1,516 -0.187,517 -0.047,518 -0.183,519 0.135,520 -0.053,521 0.004,522 -0.047,523 0.14,524 -0.042,525 0.034,526 -0.098,527 0.068,528 -0.066,529 -0.052,530 -0.03,531 0.093,532 -0.017,533 -0.029,534 0.027,535 0.123,536 0.117,537 -0.284,538 0.1,539 -0.008,540 0.006,541 -0.328,542 -0.113,543 0.058,544 -0.212,545 0.051,546 -0.061,547 0.11,548 -0.109,549 2.144,550 5.442,551 0.72,552 18.499,553 1.007,554 1.104,555 3.428,556 11.752,557 0.74,558 3.332,559 3.689,560 3.97,561 4.248,562 4.5,563 4.575,564 4.654,565 4.771,566 4.736,567 4.718,568 5.271,569 0.705,570 395.27,571 3.332,572 4.89,573 5.753,574 6.65,575 7.533,576 8.435,577 9.326,578 10.229,579 11.124,580 12.029,581 5,584 1,586 1,589 6,592 6,594 12,597 1,599 1,600 40,601 16,602 2,603 27,604 1,605 42,606 20,607 12,608 6,609 6,610 5,611 3,612 3,615 2,620 1,621 17,622 2,624 3,625 1,626 1,628 4,630 1,633 15,634 4,635 2,636 5,637 1,639 2,641 1,642 2,647 3,650 1,652 1,654 2,655 2,661 3,662 1,663 2,667 25,668 1,670 1,675 1,676 1,677 1,678 1,679 5,680 1,681 1,684 13.833,685 8.043,686 5.5,687 2.295,688 2.806,689 1.398,690 0.976,691 4.696,692 9.864,693 3.664,694 4.277,695 4.879,696 5.467,697 6.018,698 6.3,699 6.636,700 7.06,701 7.304,702 7.531,703 0.833,704 43,705 9.22,706 3.963,707 7.957,708 17.172,709 13.977,710 2.457,711 61.417,713 1,714 153.024,715 130.216,716 95.024,718 67.828,721 176.17,722 220.853,723 49.07,724 17.65,725 18.011,726 66.334,727 91.891,728 53.228,730 153.024,731 45.954,732 153.024,733 179.286,734 67.828,736 45.954,737 153.024,738 67.828,741 66.721,742 100.332,743 12.233,744 45.954,745 153.024,746 116.898,747 176.17,749 153.024,750 29.63,751 83.984,752 80.567,753 98.888,754 153.024,755 116.898,756 176.17,758 0.591,759 0.355,760 0.195,761 0.11,762 19,763 10,764 0.048,765 2,767 1,768 3.462,769 213.925,771 18,772 114.096,773 17.321,774 6.778,775 3.334,777 116.898,778 10.844,781 4.223,783 60.694,784 446.093,785 38,786 12.442,787 1.735,789 0.593,790 40.273,791 44.163,792 0.3,793 0.734,794 0.845,795 0.927,796 0.955,797 0.955,798 4.927,799 1.307,800 5.771,801 4.824,802 4.369,803 4.963,804 2.444,805 6.624,806 4.315,807 6.183,808 1.159,809 7.365,810 3.384,811 4.111,812 4.868,814 7.609,815 4.016,816 7.52,817 0.756,818 9.055,819 3.118,820 6.009,821 7.194,822 3.632,823 10.722,824 5.928,825 8.887,826 0.113,827 10.799,828 1.556,829 6.509,830 7.851,832 12.506,833 6.41,834 10.28,836 12.579,837 0.242,838 7.932,839 9.687,840 4.982,841 15.16,842 7.838,843 11.693,844 -0.286,845 14.383,847 8.779,848 10.707,850 17.285,851 8.677,852 13.123,853 -0.514,854 16.206,855 -0.564,856 10.022,857 12.328,858 6.383,859 19.773,860 9.919,861 3.22,862 -0.554,863 18.043,864 -1.242,865 11.03,866 13.536,868 22.047,869 10.921,870 2.955,871 11.175,872 19.891,873 -1.508,874 12.204,875 15.053,876 7.798,877 24.473,878 12.091,879 2.673,880 9.937,881 21.749,882 4.226,883 13.286,884 16.36,886 26.813,887 13.167,888 2.207,889 8.348,890 23.614,891 3.979,892 14.438,893 17.827,894 9.218,895 29.217,896 14.314,897 2.157,898 6.195,899 25.485,900 3.609,901 15.554,902 19.186,904 31.588,905 15.425,906 1.901,907 6.139,908 27.361,909 2.938,910 16.7,911 20.629,912 10.638,913 33.986,914 16.566,915 1.712,916 5.369,917 29.242,918 2.789,919 17.833,920 22.017,922 36.372,923 17.694,924 5960,925 10918,926 17.224,927 29.603,928 42.321,929 45.098,930 43.504,931 40.393,932 40.32,933 54.444,934 6.186,935 120.571,936 38.912,937 5.494,938 6.117,939 6.299,940 5.255,941 5.22,942 7.226,943 4.069,944 18.524,945 5.202,946 15.195,947 1.567,948 1.67,949 1.611,950 1.496,951 1.493,952 2.016,953 0.229,954 4.466,955 1.441,956 4.046,957 4.065,958 6.88,959 3.994,960 7.43,961 3.993,962 3.898,963 3.918,964 3.998,965 3.86,966 6.818,967 3.847,968 3.71,969 3.734,970 3.802,971 3.616,972 6.469,973 3.621,974 3.26,975 3.342,976 3.634,977 3.121,978 4.769,979 3.104,980 3.2,981 3.248,982 3.144,983 3.088,984 4.647,985 3.086,986 3.069,987 3.144,988 3.083,989 2.912,990 4.362,991 2.898,992 2.961,993 2.971,994 2.928,995 2.86,996 3.952,997 2.819,998 2.926,999 2.957,1000 2.837,1001 2.654,1002 3.82,1003 2.711,1004 0.171,1005 0.152,1006 0.252,1007 0.156,1008 0.119,1009 4.612,1010 0.157,1011 4.117,1012 0.075,1013 6.794,1014 0.414,1015 4.214,1016 0.119,1017 3.22,1018 4.226,1019 2.035,1020 11.175,1021 3.202,1022 2.006,1023 1.989,1024 2.089,1025 2.077,1026 1.246,1027 2.08,1028 1.892,1029 1.875,1030 1.963,1031 1.966,1032 1.109,1033 1.975,1034 1.669,1035 1.647,1036 1.752,1037 1.793,1038 0.854,1039 1.784,1040 1.29,1041 1.214,1042 1.623,1043 1.498,1044 0.699,1045 1.547,1046 1.145,1047 1.11,1048 1.414,1049 1.314,1050 0.473,1051 1.345,1052 1.079,1053 1.007,1054 1.228,1055 1.285,1056 0.256,1057 1.273,1058 0.87,1059 0.849,1060 1.045,1061 1.097,1062 0.105,1063 1.08,1064 0.783,1065 0.748,1066 1.002,1067 1.09,1068 0.067,1069 1.058,1070 4.007,1071 5.352,1073 6.899,1075 8.541,1077 10.233,1078 3.368,1079 3.936,1083 10.15,1085 2.693,1090 9.439,1091 1.993,1092 28.185,1093 63.835,1094 156.206,1095 179.858,1096 197.367,1097 203.367,1098 203.367,1099 53.149,1100 7.058,1101 76.88,1102 76.88,1103 18,1104 12.549,1105 4.087,1106 3.585,1107 41.371,1108 78,1109 81,1110 0.265,1111 181.731,1112 325.5,1113 435.183,1114 9375,1115 2.5,1116 18.137,1117 0.725,1118 0.612,1119 19.137,1120 15.308,1121 11.901,1122 0.441,1123 0.312,1124 7.639,1125 11.089,1126 7.3,1127 6.096,1128 12.478,1129 8.437,1130 11.063,1131 0.284,1132 0.175,1133 11.88,1134 6.808,1135 9.175,1136 0.176,1137 0.088,1138 9.7,1139 4.559,1140 7.8,1141 0.113,1142 0.047,1143 8.239,1144 3.229,1145 6.252,1146 0.07,1147 0.025,1148 6.94,1149 2.238,1150 0.398,1151 81.695,1152 0.241,1153 23.567,1154 0.783,1155 132,1156 388.518,1157 204.936,1158 425.798,1159 563.59,1160 392,1161 157,1162 382.062,1163 192.082,1164 408.118,1165 591.99,1166 382,1167 6.155}
{0 CHEMBL392065,1 1.656,2 10.1,3 5.406,4 29.226,5 122.417,6 10.858,7 0.545,8 3.896,9 3.97,10 3.784,11 3.631,12 5.179,13 3.601,14 4.337,15 4.423,16 4.215,17 4.032,18 5.593,19 3.981,20 4.637,21 4.764,22 4.356,23 4.199,24 5.898,25 4.129,26 4.681,27 4.823,28 4.343,29 4.176,30 6.037,31 4.102,32 4.7,33 4.854,34 4.466,35 4.171,36 6.002,37 4.109,38 4.675,39 4.815,40 4.438,41 4.152,42 6.133,43 4.083,44 4.562,45 4.696,46 4.38,47 4.055,48 5.963,49 3.989,50 4.489,51 4.626,52 4.286,53 3.961,54 5.978,55 3.88,56 0.069,57 0.477,58 2.655,59 3.015,60 11.767,61 3.344,62 0.11,63 0.741,64 4.278,65 5.014,66 13.947,67 5.939,68 0.22,69 1.033,70 21.301,71 8.376,72 38.469,73 9.299,74 0.348,75 1.133,76 20.126,77 8.733,78 60.876,79 9.966,80 0.359,81 1.163,82 21.007,83 9.109,84 58.311,85 10.006,86 0.506,87 1.091,88 29.956,89 9.383,90 85.439,91 9.928,92 0.323,93 0.966,94 19.246,95 7.963,96 54.011,97 8.415,98 0.384,99 0.918,100 16.277,101 7.247,102 70.19,103 7.542,104 27,105 47,106 0.279,107 0.579,108 0.731,109 0.869,110 0.89,111 0.89,112 3.441,113 0.924,114 -5.49,115 -5.37,116 -5.01,117 1,118 54.5,128 1,129 2,130 1,131 11,132 4,133 3,140 2,143 16,145 2,146 1,147 5,148 25,150 2,152 4,153 26,154 1,155 5,156 1,157 1,158 3,159 22,161 3,163 5,164 19,166 8,167 1,169 5,170 18,172 7,174 3,175 17,177 5,178 1,179 5,180 12,182 6,185 4,186 12,187 1516,188 20.231,189 20.231,190 20.231,191 20.231,192 20.231,193 17.363,194 15.219,195 11.755,196 20.578,197 16.203,198 16.203,199 16.203,200 16.203,201 16.203,202 11.814,203 16.388,204 5.485,205 16.884,206 3.803,207 2.024,208 1.126,209 0.307,210 0.182,211 0.182,212 4.134,213 1,215 1,216 1,217 652,218 2.55,220 379.2,223 1.453,224 33.538,226 0.75,227 0.83,228 1,229 0.4,231 1,232 0.71,233 63.083,234 303,235 4.621,236 4.118,237 6.802,238 4.216,239 3.23,240 4.25,241 2.035,242 11.212,243 3.184,244 4.352,245 3.54,246 6.449,247 3.953,248 2.98,249 4.004,250 1.058,251 9.963,252 2.901,253 4.213,254 3.206,255 6.175,256 3.808,257 2.814,258 3.776,260 9.126,261 2.789,262 3.913,263 3.132,264 5.913,265 3.496,266 2.532,267 3.387,269 8.072,270 2.423,271 3.626,272 2.763,273 5.141,274 3.097,275 2.198,276 2.935,278 6.168,279 1.962,280 3.355,281 2.698,282 4.971,283 2.876,284 1.901,285 2.618,287 5.369,288 1.864,289 3.309,290 2.444,291 4.874,292 2.811,293 1.88,294 2.523,296 5.358,297 1.623,298 3.222,299 2.182,300 4.454,301 2.717,302 1.766,303 2.348,305 4.459,306 1.604,307 3.139,308 1.867,309 4.122,310 2.256,311 1.271,312 1.856,314 3.338,315 1.242,316 2.636,317 1.54,318 3.97,319 2.132,320 1.151,321 1.69,322 3.063,323 1.118,324 2.629,325 1.208,326 3.506,327 2.118,328 1.12,329 1.644,330 2.684,331 1.104,332 2.572,333 1.183,334 3.388,335 2,336 1,337 1.5,338 2.136,339 1,340 2.5,341 1,342 3.247,343 1.683,344 0.712,345 1.153,346 1.468,347 0.684,348 1.515,349 0.879,350 2.778,351 0.962,352 0.113,353 0.137,354 0.24,355 0.078,356 1.364,357 0.688,358 2.649,359 0.864,364 15.514,365 0.517,366 0.784,367 0.026,368 44,369 1.467,370 26,371 0.867,372 18,373 0.6,374 24.318,375 0.811,376 28.286,377 0.643,378 34.229,379 1.141,380 8.583,381 0.286,382 5.89,383 0.196,384 0.201,386 0.355,389 0.71,390 0.812,391 0.472,392 0.602,393 0.643,394 0.647,395 0.533,396 0.978,397 0.58,398 0.793,399 0.514,400 0.852,401 0.926,402 1.052,403 0.931,404 0.998,405 0.799,406 0.988,407 0.885,408 1.026,409 0.757,410 0.962,411 0.822,412 1.016,413 0.997,414 0.988,415 0.653,416 0.862,417 1.073,418 0.865,419 0.925,420 0.974,421 1.107,422 1.035,423 1.004,424 0.95,425 1.237,426 1.039,427 0.823,428 0.961,429 1.292,430 0.941,431 1.216,432 1.088,433 0.915,434 1.006,435 1.249,436 1.044,437 6,438 0.112,439 4,440 2.188,441 1.982,442 1.507,443 0.936,444 0.625,445 0.403,446 0.233,447 10581,448 36291,449 2.067,450 31.8,452 12,455 2,458 1.736,459 1.915,460 3.316,461 0.177,465 72.873,466 1.656,467 3.435,468 4.333,469 5.152,470 5.278,471 5.278,472 2.727,473 4.298,474 4.879,475 3.451,476 1501.21,477 8.553,478 20082.6,483 240.215,484 1.475,485 4.828,486 0.182,487 0.006,488 0.085,489 0.042,490 0.04,491 0.03,492 0.019,493 0.014,494 0.01,495 0.008,496 0.435,497 0.33,498 0.75,499 0.758,500 151.013,501 -0.085,502 0.105,503 -0.007,504 0.084,505 -0.075,506 0.069,507 0.069,508 -0.082,510 -0.05,511 0.019,512 -0.077,513 -0.082,514 -0.121,515 -0.078,516 -0.099,517 -0.027,518 -0.08,519 0.053,520 -0.047,521 -0.037,522 -0.071,523 0.081,524 -0.085,525 -0.003,526 0.013,527 0.074,528 0.054,529 -0.067,530 0.098,531 0.197,532 0.009,533 -0.057,534 -0.041,535 0.166,536 0.015,537 -0.088,538 -0.075,539 0.015,540 -0.027,541 -0.082,542 -0.003,543 -0.018,544 -0.087,545 -0.023,546 -0.06,547 0.012,548 -0.111,549 2.217,550 5.686,551 0.8,552 25.538,553 1.014,554 1.093,555 4.262,556 18.167,557 0.783,558 3.526,559 3.871,560 4.174,561 4.454,562 4.736,563 4.82,564 4.97,565 5.094,566 5.17,567 5.215,568 6.105,569 0.75,570 477.75,571 3.526,572 5.081,573 5.948,574 6.841,575 7.727,576 8.625,577 9.52,578 10.421,579 11.319,580 12.222,581 4.5,584 1,586 1,589 11,592 7,594 18,597 1,599 2,600 44,601 22,602 3,603 33,604 1,605 47,606 24,607 18,608 7,609 11,610 5,611 4,612 4,613 1,620 1,621 23,624 3,625 1,626 1,628 4,633 14,634 4,635 2,636 6,637 2,639 2,641 1,642 2,647 4,650 1,652 1,654 2,655 2,661 4,662 1,664 1,667 30,668 1,670 1,675 1,676 1,677 1,678 2,679 4.5,680 1,681 1,684 15.667,685 8.102,686 6.611,687 2.505,688 3.793,689 1.491,690 1.006,691 5.674,692 11.519,693 3.871,694 4.483,695 5.107,696 5.707,697 6.293,698 6.587,699 7.032,700 7.458,701 7.843,702 8.161,703 0.857,704 52,705 11.062,706 4.835,707 7.94,708 20.561,709 16.959,710 2.44,711 73.194,714 141.253,715 163.447,716 95.024,717 39.149,718 67.828,721 209.401,722 248.23,723 49.07,725 18.011,726 113.715,727 91.891,728 56.729,730 141.253,731 85.103,732 141.253,733 212.517,734 67.828,735 39.149,736 45.954,737 141.253,738 67.828,741 49.07,742 151.214,743 51.382,744 45.954,745 141.253,746 116.898,747 248.55,749 141.253,750 33.131,751 113.715,752 80.567,753 138.036,754 141.253,755 116.898,756 248.55,758 0.585,759 0.354,760 0.195,761 0.112,762 23,763 11,764 0.064,765 3,767 1,768 3.944,769 281.201,771 24,772 143.207,773 20.28,774 8.394,775 4.031,777 116.898,778 20.163,781 4.064,783 60.694,784 506.702,785 47,786 12.686,787 1.664,789 0.193,790 44.596,791 48.107,792 0.303,793 0.629,794 0.794,795 0.944,796 0.967,797 0.967,798 5.121,799 1.766,800 5.948,801 5.358,802 4.554,803 5.17,804 2.444,805 6.792,806 4.482,807 6.363,808 1.271,809 7.531,810 4.459,811 4.205,812 4.966,814 7.758,815 4.058,816 7.688,817 1.151,818 9.214,819 3.338,820 6.18,821 7.391,822 3.632,823 10.881,824 6.07,825 9.047,826 1.12,827 10.956,828 3.063,829 6.635,830 7.98,832 12.66,833 6.478,834 10.435,835 1,836 12.734,837 2.684,838 8.096,839 9.875,840 4.982,841 15.305,842 7.96,843 11.844,844 0.712,845 14.538,846 2.136,847 8.918,848 10.852,850 17.422,851 8.753,852 13.271,853 0.113,854 16.359,855 1.468,856 10.177,857 12.506,858 6.383,859 19.899,860 10.017,861 3.23,863 18.195,864 0.24,865 11.17,866 13.687,868 22.164,869 10.989,870 2.98,871 11.212,872 20.041,874 12.35,875 15.223,876 7.798,877 24.58,878 12.165,879 2.814,880 9.963,881 21.895,882 4.25,883 13.423,884 16.513,886 26.913,887 13.22,888 2.532,889 9.126,890 23.756,891 4.004,892 14.574,893 17.99,894 9.218,895 29.31,896 14.363,897 2.198,898 8.072,899 25.622,900 3.776,901 15.685,902 19.34,904 31.676,905 15.458,906 1.901,907 6.168,908 27.493,909 3.387,910 16.829,911 20.789,912 10.638,913 34.07,914 16.591,915 1.88,916 5.369,917 29.369,918 2.935,919 17.958,920 22.172,922 36.453,923 17.706,924 10173,925 18992,926 21.789,927 34.46,928 51.327,929 54.37,930 51.966,931 49.608,932 49.335,933 67.641,934 6.186,935 145.308,936 47.153,937 5.503,938 6.118,939 6.604,940 5.256,941 5.23,942 7.25,943 4.069,944 18.558,945 5.184,946 15.631,947 1.555,948 1.648,949 1.575,950 1.503,951 1.495,952 2.05,953 0.187,954 4.403,955 1.429,956 4.062,957 4.078,958 6.88,959 4.019,960 7.43,961 4.016,962 3.933,963 3.953,964 4.086,965 3.89,966 6.818,967 3.88,968 3.805,969 3.825,970 3.867,971 3.756,972 6.469,973 3.748,974 3.65,975 3.676,976 3.778,977 3.563,978 4.951,979 3.564,980 3.2,981 3.248,982 3.643,983 3.095,984 4.732,985 3.095,986 3.007,987 3.028,988 3.273,989 2.919,990 4.669,991 2.907,992 2.96,993 2.984,994 3.144,995 2.862,996 4.387,997 2.82,998 2.946,999 2.964,1000 2.938,1001 2.78,1002 4.242,1003 2.79,1004 0.14,1005 0.125,1006 0.206,1007 0.128,1008 0.098,1009 4.621,1010 0.129,1011 4.118,1012 0.062,1013 6.802,1014 0.34,1015 4.216,1016 0.096,1017 3.23,1018 4.25,1019 2.035,1020 11.212,1021 3.184,1022 2.02,1023 2.005,1024 2.089,1025 2.079,1026 1.234,1027 2.084,1028 1.922,1029 1.905,1030 1.988,1031 1.998,1032 1.122,1033 2.003,1034 1.796,1035 1.776,1036 1.879,1037 1.869,1038 0.99,1039 1.879,1040 1.616,1041 1.592,1042 1.701,1043 1.736,1044 0.778,1045 1.733,1046 1.144,1047 1.111,1048 1.237,1049 1.302,1050 0.308,1051 1.28,1052 0.963,1053 0.937,1054 1.181,1055 1.139,1056 0.246,1057 1.115,1058 0.898,1059 0.854,1060 1.145,1061 1.092,1062 0.218,1063 1.107,1064 0.886,1065 0.849,1066 1.082,1067 1.066,1068 0.134,1069 1.1,1070 4.205,1071 5.541,1073 7.086,1075 8.724,1077 10.411,1078 3.374,1080 6.476,1083 10.281,1085 2.685,1090 9.628,1091 1.979,1092 33.013,1093 72.873,1094 151.142,1095 190.651,1096 226.705,1097 232.215,1098 232.215,1099 62.925,1100 7.726,1101 76.88,1102 76.88,1103 24,1104 12.743,1105 4.524,1106 3.907,1107 46.647,1108 106,1109 118,1110 0.21,1111 212.257,1112 378.73,1113 509.668,1114 23245,1115 4.5,1116 21.25,1117 0.708,1118 0.594,1119 22.75,1120 17.829,1121 14.474,1122 0.439,1123 0.308,1124 9.019,1125 13.369,1126 8.735,1127 7.207,1128 15.34,1129 10.164,1130 13.116,1131 0.279,1132 0.169,1133 14.304,1134 7.958,1135 11.292,1136 0.176,1137 0.087,1138 12.175,1139 5.58,1140 9.497,1141 0.112,1142 0.046,1143 10.21,1144 3.874,1145 8.033,1146 0.071,1147 0.025,1148 9.025,1149 2.862,1150 0.32,1151 100.305,1152 0.214,1153 27.708,1154 0.607,1155 160,1156 474.721,1157 248.456,1158 541.841,1159 714.72,1160 500,1161 191,1162 470.925,1163 237.792,1164 507.649,1165 740.77,1166 478,1167 5.367}
{0 CHEMBL392285,1 1.836,2 13.231,3 6.206,4 38.509,5 144.453,6 9.182,7 0.286,8 4.247,9 4.343,10 3.965,11 3.836,12 5.473,13 3.829,14 4.814,15 4.958,16 4.436,17 4.264,18 6.339,19 4.237,20 5.109,21 5.279,22 4.556,23 4.461,24 6.364,25 4.412,26 5.248,27 5.444,28 4.589,29 4.453,30 6.604,31 4.413,32 5.173,33 5.349,34 4.65,35 4.448,36 6.519,37 4.416,38 5.215,39 5.391,40 4.763,41 4.459,42 6.732,43 4.426,44 5.168,45 5.359,46 4.606,47 4.384,48 6.576,49 4.352,50 5.101,51 5.274,52 4.61,53 4.305,54 6.836,55 4.275,56 0.232,57 1.063,58 8.314,59 5.83,60 47.945,61 6.317,62 1.023,63 2.097,64 20.364,65 10.438,66 173.756,67 11.904,68 0.774,69 2.102,70 33.8,71 14.799,72 124.584,73 17.525,74 1.474,75 2.323,76 44.774,77 16.088,78 246.654,79 18.014,80 1.202,81 2.165,82 41.094,83 14.832,84 187.902,85 16.588,86 1.617,87 2.097,88 48.026,89 15.835,90 253.273,91 17.727,92 1.215,93 2.216,94 44.384,95 15.516,96 201.937,97 17.654,98 1.746,99 2.108,100 37.974,101 13.288,102 330.059,103 14.956,104 105,105 62,106 0.292,107 0.654,108 0.787,109 0.852,110 0.866,111 0.866,112 3.693,113 0.927,114 -5.45,115 -5.33,116 -4.98,118 44.4,120 5,121 1,122 1,123 1,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 3,143 15,144 1,145 5,146 1,147 5,148 21,150 7,152 4,153 18,154 1,155 11,156 2,157 1,158 3,159 13,161 8,163 5,164 11,166 10,167 3,169 6,170 13,172 8,174 4,175 16,176 1,177 4,178 2,179 6,180 14,182 4,185 4,186 15,187 3017,188 25.272,189 25.272,190 25.272,191 25.272,192 25.272,193 23.025,194 28.586,195 14.352,196 25.916,197 20.592,198 20.592,199 20.592,200 20.592,201 20.592,202 16.871,203 32.843,204 6.69,205 21.783,206 4.141,207 1.865,208 1.033,209 0.619,210 0.532,211 0.532,212 4.376,213 2,217 1088,218 4.472,220 544.559,223 2.083,224 81.992,226 0.5,227 0.83,228 0.83,229 0.7,230 0.5,231 0.83,232 0.74,233 87.667,234 516,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.035,251 11.14,252 3.001,253 4.369,254 3.814,255 6.611,256 4.017,257 3.053,258 3.75,259 1.943,260 10.47,261 2.885,262 4.082,263 3.542,264 6.332,265 3.894,266 2.908,267 3.284,268 1.058,269 9.403,270 2.829,271 3.962,272 3.286,273 5.994,274 3.565,275 2.622,276 3.248,277 0.736,278 8.358,279 2.424,280 3.736,281 3.175,282 5.714,283 3.341,284 2.358,285 3.022,286 0.079,287 7.613,288 2.314,289 3.449,290 2.735,291 5.071,292 3.067,293 2.15,294 2.751,296 5.923,297 1.998,298 3.297,299 2.636,300 4.979,301 2.927,302 2.01,303 2.385,305 5.615,306 1.75,307 3.239,308 2.417,309 4.97,310 2.832,311 1.863,312 2.173,314 5.404,315 1.718,316 3.121,317 2.265,318 4.609,319 2.518,320 1.569,321 2.014,322 4.608,323 1.496,324 2.902,325 2.04,326 4.591,327 2.449,328 1.539,329 1.998,330 4.423,331 1.339,332 2.85,333 2.022,334 4.081,335 2.346,336 1.367,337 1.791,338 3.237,339 1.311,340 2.603,341 1.585,342 3.81,343 2.204,344 1.208,345 1.454,346 3.128,347 1.187,348 2.466,349 1.506,350 3.514,351 2,352 1,353 1.184,354 2.136,355 1,356 2.043,357 1.381,358 3.314,359 1.757,360 0.773,361 1,362 1.793,363 0.749,364 18.486,365 0.474,366 1.358,367 0.035,368 46,369 1.179,370 21.5,371 0.551,372 24.5,373 0.628,374 42.571,375 1.092,376 42.714,377 0.678,378 45.9,379 1.177,380 8.782,381 0.225,382 9.618,383 0.247,384 0.226,385 0.027,386 0.373,387 3,389 0.6,390 0.964,391 0.554,392 0.893,393 0.582,394 0.849,395 0.434,396 0.744,397 0.586,398 0.837,399 0.387,400 0.868,401 0.648,402 0.937,403 0.796,404 1.074,405 0.584,406 1.032,407 1.031,408 0.853,409 0.861,410 0.816,411 1.015,412 0.869,413 0.911,414 0.896,415 0.922,416 0.961,417 0.904,418 0.927,419 0.75,420 0.833,421 0.903,422 0.99,423 0.762,424 0.92,425 0.923,426 1.029,427 0.9,428 1.025,429 0.903,430 0.926,431 0.803,432 0.78,433 0.911,434 0.882,435 0.796,436 0.933,437 10,438 0.368,439 5.778,440 3.625,441 3.053,442 2.187,443 1.406,444 1.137,445 0.711,446 0.472,447 21766,448 79012,449 1.971,450 38.1,451 10,452 11,455 2,456 1,458 1.798,459 1.779,460 3.664,461 0.187,465 115.659,466 1.836,467 4.112,468 4.944,469 5.358,470 5.445,471 5.445,472 3.114,473 4.907,474 5.256,475 3.852,476 2854.37,477 9.295,478 46829.2,483 376.569,484 1.7,485 5.171,486 0.238,487 0.009,488 0.093,489 0.053,490 0.045,491 0.031,492 0.02,493 0.017,494 0.011,495 0.009,496 0.527,497 0.17,498 0.75,499 0.859,500 215.833,501 -0.045,502 -0.02,503 -0.002,504 0.035,505 -0.045,506 0.038,507 0.299,508 0.273,509 0.102,510 0.109,511 0.306,512 0.063,513 -0.006,514 -0.15,515 0.031,516 -0.11,517 0.04,518 -0.033,519 -0.106,520 0.012,521 0.025,522 0.131,523 -0.081,524 0.11,525 -0.07,526 -0.059,527 0.035,529 -0.077,530 0.044,531 0.136,532 -0.027,533 0.16,534 -0.009,535 0.109,536 0.067,537 -0.024,538 -0.151,539 0.102,540 -0.04,541 -0.008,542 0.082,543 0.243,544 0.151,545 0.082,546 0.076,547 0.272,548 0.009,549 5.933,550 5.941,551 0.615,552 43.753,553 1.031,554 1.134,555 4.221,556 17.817,557 0.695,558 3.761,559 4.143,560 4.407,561 4.654,562 4.92,563 5.037,564 5.153,565 5.273,566 5.366,567 5.464,568 7.806,569 0.68,570 578.45,571 3.761,572 5.342,573 6.205,574 7.107,575 7.991,576 8.895,577 9.787,578 10.693,579 11.588,580 12.496,581 4.8,584 2,586 1,589 5,592 7,594 12,597 1,599 2,600 63,601 17,602 2,603 42,605 66,606 28,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 1,616 5,617 1,618 1,619 5,620 1,621 18,622 9,623 1,624 4,625 2,626 1,628 5,631 3,633 24,634 9,635 2,636 11,637 2,639 3,641 1,642 3,647 4,650 1,652 1,653 1,654 2,655 2,661 4,663 1,664 2,665 3,667 39,668 1,669 6,670 1,672 1,673 1,674 1,675 1,676 1,677 1,678 5,679 4.8,680 1,681 2,684 21.917,685 11.731,686 8.417,687 3.886,688 2.969,689 1.361,690 0.961,691 8.661,692 11.192,693 4.007,694 4.585,695 5.145,696 5.685,697 6.241,698 6.577,699 6.953,700 7.327,701 7.681,702 7.963,703 0.889,704 69,705 15.211,706 7.37,707 8.341,708 26.496,709 22.222,710 2.841,711 110.806,714 258.964,715 142.674,716 52.194,717 78.297,718 92.973,719 44.88,721 142.674,722 430.235,723 97.075,724 8.396,725 35.913,726 56.857,727 121.741,728 102.054,730 258.964,731 86.057,732 258.964,733 194.869,734 137.854,735 78.297,737 258.964,738 137.854,741 74.732,742 107.903,743 90.53,745 303.845,746 145.168,747 220.971,749 266.724,750 53.059,751 68.378,752 34.612,753 247.21,754 258.964,755 190.048,756 220.971,758 0.599,759 0.353,760 0.182,761 0.103,762 29,763 16,764 0.076,765 5,767 1,768 4.507,769 398.514,771 24,772 197.376,773 29.019,774 11.639,775 6.275,777 190.048,778 5.467,781 -0.977,783 60.694,784 669.984,785 54,786 25.785,787 1.271,789 -1.504,790 64.96,791 71.428,792 0.307,793 0.688,794 0.827,795 0.896,796 0.911,797 0.911,798 5.308,799 2.01,800 6.252,801 5.923,802 4.828,803 5.273,804 3.653,805 7.133,806 4.727,807 6.553,808 1.863,809 7.871,810 5.615,811 4.691,812 5.255,813 3.987,814 8.286,815 4.457,816 7.896,817 1.569,818 9.595,819 5.404,820 6.535,821 7.456,822 5.641,823 11.344,824 6.344,825 9.269,826 1.539,827 11.379,828 4.608,829 7.155,830 8.19,831 6.717,832 13.255,833 6.844,834 10.672,835 1.367,836 13.199,837 4.423,838 8.552,839 9.941,840 8.121,841 15.892,842 8.256,843 12.094,844 1.208,845 15.044,846 3.237,847 9.487,848 11.016,849 9.396,850 18.102,851 9.096,852 13.533,853 1,854 16.907,855 3.128,856 10.73,857 12.588,858 10.752,859 20.599,860 10.324,861 3.347,862 0.773,863 18.783,864 2.136,865 11.799,866 13.833,867 12.076,868 22.934,869 11.317,870 3.209,871 11.766,872 20.67,873 1.793,874 12.989,875 15.325,876 13.421,877 25.383,878 12.475,879 3.053,880 11.14,881 22.565,882 4.268,883 14.115,884 16.657,885 14.758,886 27.772,887 13.537,888 2.908,889 10.47,890 24.467,891 4.122,892 15.29,893 18.114,894 16.101,895 30.207,896 14.669,897 2.622,898 9.403,899 26.375,900 3.75,901 16.443,902 19.492,903 17.441,904 32.621,905 15.764,906 2.358,907 8.358,908 28.287,909 3.284,910 17.616,911 20.934,912 18.783,913 35.055,914 16.89,915 2.15,916 7.613,917 30.204,918 3.248,919 18.782,920 22.337,921 20.124,922 37.481,923 18.002,924 21215,925 40914,926 26.471,927 43.807,928 66.253,929 68.749,930 67.106,931 64.431,932 63.872,933 79.265,934 19.353,935 194.414,936 60.22,937 5.641,938 6.461,939 6.927,940 5.304,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 26.601,947 1.577,948 1.637,949 1.598,950 1.534,951 1.521,952 1.887,953 0.461,954 4.629,955 1.434,956 4.06,957 4.079,958 4.103,959 3.998,960 8.513,961 4,962 3.933,963 3.961,964 4.01,965 3.869,966 7.999,967 3.867,968 3.879,969 3.914,970 3.783,971 3.773,972 7.999,973 3.763,974 3.73,975 3.758,976 3.753,977 3.615,978 7.431,979 3.628,980 3.53,981 3.59,982 3.549,983 3.322,984 7.426,985 3.337,986 3.316,987 3.349,988 3.485,989 3.089,990 6.818,991 3.103,992 3.212,993 3.259,994 3.347,995 3.046,996 6.468,997 3.086,998 3.137,999 3.207,1000 3.136,1001 2.982,1002 4.929,1003 2.969,1004 0.111,1005 0.106,1006 0.17,1007 0.101,1008 0.08,1009 4.641,1010 0.102,1011 4.461,1012 0.091,1013 7.125,1014 0.28,1015 4.262,1016 0.076,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.102,1025 2.077,1026 1.486,1027 2.076,1028 1.909,1029 1.888,1030 2.04,1031 2.037,1032 1.227,1033 2.051,1034 1.873,1035 1.831,1036 1.96,1037 1.968,1038 1.146,1039 1.972,1040 1.671,1041 1.648,1042 1.768,1043 1.824,1044 0.915,1045 1.806,1046 1.469,1047 1.407,1048 1.668,1049 1.697,1050 0.825,1051 1.692,1052 1.179,1053 1.134,1054 1.513,1055 1.405,1056 0.825,1057 1.429,1058 1.153,1059 1.064,1060 1.475,1061 1.376,1062 0.717,1063 1.411,1064 1.121,1065 1.06,1066 1.341,1067 1.376,1068 0.496,1069 1.315,1070 4.443,1071 5.808,1073 7.365,1075 9.007,1077 10.694,1079 1.633,1080 12.526,1081 40.173,1083 11.133,1084 4.735,1085 2.498,1087 -0.084,1088 1.514,1089 -4.683,1090 9.6,1091 1.717,1092 42.862,1093 115.659,1094 259.085,1095 311.475,1096 337.549,1097 343.059,1098 343.059,1099 152.732,1100 8.223,1101 97.19,1102 97.19,1103 24,1104 13.015,1105 4.17,1106 3.7,1107 70.122,1108 181,1109 204,1110 0.187,1111 267.286,1112 498.04,1113 643.937,1114 45146,1115 7.9,1116 28.482,1117 0.73,1118 0.573,1119 26.982,1120 22.344,1121 18.4,1122 0.438,1123 0.309,1124 12.1,1125 17.1,1126 11.803,1127 9.693,1128 17.766,1129 12.972,1130 17.792,1131 0.287,1132 0.168,1133 16.613,1134 10.439,1135 14.404,1136 0.178,1137 0.092,1138 14.036,1139 7.459,1140 11.588,1141 0.111,1142 0.052,1143 11.583,1144 5.373,1145 9.492,1146 0.07,1147 0.028,1148 9.896,1149 3.852,1150 0.292,1151 122.155,1152 0.194,1153 34.734,1154 0.52,1155 208,1156 831.984,1157 267.417,1158 785.633,1159 999.6,1160 720,1161 247,1162 646.155,1163 291.085,1164 658.955,1165 983.92,1166 616,1167 6.208}
{0 CHEMBL392286,1 1.891,2 13.231,3 4.17,4 17.387,5 143.681,6 9.346,7 0.286,8 4.24,9 4.339,10 3.97,11 3.808,12 5.484,13 3.811,14 4.799,15 4.945,16 4.438,17 4.232,18 6.345,19 4.218,20 5.08,21 5.245,22 4.556,23 4.435,24 6.361,25 4.396,26 5.226,27 5.416,28 4.59,29 4.435,30 6.6,31 4.403,32 5.165,33 5.34,34 4.654,35 4.437,36 6.528,37 4.408,38 5.204,39 5.379,40 4.764,41 4.445,42 6.725,43 4.415,44 5.162,45 5.358,46 4.607,47 4.36,48 6.58,49 4.338,50 5.069,51 5.232,52 4.612,53 4.28,54 6.832,55 4.26,56 0.274,57 1.081,58 7.84,59 5.532,60 49.384,61 5.859,62 1.086,63 2.092,64 19.398,65 9.723,66 173.474,67 10.819,68 0.858,69 2.079,70 31.429,71 13.854,72 125.319,73 16.005,74 1.546,75 2.279,76 42.386,77 15.443,78 251.082,79 16.954,80 1.316,81 2.148,82 39.964,83 14.563,84 194.572,85 16.187,86 1.657,87 2.077,88 46.754,89 15.59,90 255.512,91 17.476,92 1.35,93 2.197,94 44.271,95 14.875,96 208.076,97 16.78,98 1.752,99 2.053,100 34.765,101 12.552,102 327.065,103 13.729,104 105,105 62,106 0.302,107 0.69,108 0.834,109 0.869,110 0.869,111 0.869,112 3.693,113 0.906,114 -4.5,115 -4.43,116 -4.17,118 43.5,120 2,121 1,122 1,123 3,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 3,143 11,144 1,145 5,146 1,147 7,148 16,150 7,152 5,153 15,154 1,155 7,156 2,157 1,158 3,159 13,161 6,162 2,163 5,164 11,166 10,167 3,169 6,170 11,172 8,174 5,175 13,176 1,177 4,178 2,179 5,180 11,182 4,184 1,185 4,186 10,187 3017,188 25.272,189 25.272,190 25.272,191 25.272,192 25.272,193 23.025,194 34.91,195 14.352,196 25.989,197 20.592,198 20.592,199 20.592,200 20.592,201 20.592,202 16.871,203 44.178,204 6.69,205 21.883,206 4.063,207 1.632,208 0.728,209 0.508,210 0.508,211 0.508,212 4.376,213 2,216 1,217 1088,218 4.472,220 544.559,223 2.083,224 83.259,226 0.75,227 0.83,228 0.83,229 0.7,230 0.5,231 0.83,232 0.78,233 88.167,234 516,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.035,251 11.14,252 3.001,253 4.369,254 3.814,255 6.611,256 4.017,257 3.053,258 3.75,259 1.943,260 10.47,261 2.882,262 4.082,263 3.542,264 6.332,265 3.893,266 2.908,267 3.284,268 1.058,269 9.403,270 2.828,271 3.962,272 3.286,273 5.994,274 3.565,275 2.622,276 3.248,277 0.736,278 8.358,279 2.424,280 3.736,281 3.175,282 5.714,283 3.34,284 2.358,285 3.022,286 0.4,287 7.613,288 2.311,289 3.449,290 2.736,291 5.071,292 3.058,293 2.15,294 2.751,295 0.079,296 5.923,297 1.971,298 3.297,299 2.638,300 4.979,301 2.922,302 2.01,303 2.385,305 5.615,306 1.75,307 3.239,308 2.42,309 4.97,310 2.832,311 1.863,312 2.173,314 5.404,315 1.714,316 3.121,317 2.319,318 4.609,319 2.5,320 1.569,321 2.014,322 4.608,323 1.471,324 2.902,325 2.063,326 4.591,327 2.449,328 1.539,329 1.998,330 4.423,331 1.321,332 2.85,333 2.023,334 4.081,335 2.316,336 1.367,337 1.791,338 3.237,339 1.286,340 2.603,341 1.616,342 3.81,343 2.203,344 1.208,345 1.454,346 3.128,347 1.185,348 2.466,349 1.578,350 3.514,351 1.984,352 1,353 1.184,354 2.136,355 0.983,356 2.043,357 1.506,358 3.314,359 1.751,360 0.773,361 1,362 1.793,363 0.744,364 18.386,365 0.471,366 1.358,367 0.035,368 46.5,369 1.192,370 21.5,371 0.551,372 25,373 0.641,374 41.245,375 1.058,376 42.814,377 0.691,378 47.227,379 1.211,380 9.235,381 0.237,382 9.165,383 0.235,384 0.228,385 0.027,386 0.375,387 3,389 0.632,390 0.997,391 0.553,392 0.886,393 0.593,394 0.833,395 0.486,396 0.738,397 0.597,398 0.791,399 0.405,400 0.828,401 0.692,402 0.934,403 0.823,404 1.068,405 0.609,406 1.034,407 1.047,408 0.864,409 0.881,410 0.835,411 1.037,412 0.894,413 0.885,414 0.867,415 0.925,416 0.962,417 0.899,418 0.941,419 0.721,420 0.853,421 0.893,422 1.023,423 0.736,424 0.943,425 0.951,426 0.997,427 0.91,428 0.983,429 0.914,430 0.891,431 0.827,432 0.82,433 0.941,434 0.928,435 0.822,436 0.979,437 10,438 0.368,439 5.778,440 3.625,441 3.053,442 2.187,443 1.406,444 1.137,445 0.711,446 0.472,447 21766,448 82440,449 1.971,450 37.1,452 15,455 3,456 1,457 4,458 1.798,459 1.779,460 3.664,461 0.824,465 117.227,466 1.891,467 4.322,468 5.226,469 5.446,470 5.446,471 5.446,472 3.114,473 4.907,474 5.256,475 3.852,476 2854.37,477 9.295,478 46829.2,483 369.16,484 1.7,485 5.171,486 0.238,487 0.009,488 0.093,489 0.053,490 0.045,491 0.031,492 0.02,493 0.017,494 0.011,495 0.009,496 0.527,497 0.17,498 0.88,499 0.859,500 215.833,501 -0.064,502 -0.037,503 -0.006,504 0.036,505 -0.055,506 0.042,507 0.264,508 0.295,509 0.088,510 0.145,511 0.293,512 0.088,513 -0.034,514 -0.13,515 0.001,516 -0.105,517 0.024,518 -0.043,519 -0.122,520 0.005,521 0.003,522 0.119,523 -0.094,524 0.089,525 -0.05,526 -0.033,527 0.032,528 0.008,529 -0.071,530 0.041,531 0.145,532 -0.052,533 0.172,534 -0.028,535 0.118,536 0.063,537 -0.049,538 -0.124,539 0.101,540 0.001,541 -0.019,542 0.122,543 0.223,544 0.121,545 0.046,546 0.035,547 0.263,548 -0.045,549 5.937,550 5.913,551 0.615,552 43.753,553 1.035,554 1.137,555 3.273,556 10.712,557 0.694,558 3.761,559 4.143,560 4.407,561 4.654,562 4.92,563 5.037,564 5.153,565 5.273,566 5.366,567 5.464,568 7.806,569 0.683,570 579.44,571 3.761,572 5.342,573 6.205,574 7.107,575 7.991,576 8.895,577 9.787,578 10.693,579 11.588,580 12.496,581 6.5,582 1,584 2,586 1,589 5,592 7,594 12,597 1,599 2,600 62,601 17,602 2,603 42,605 65,606 27,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 1,616 2,617 1,618 1,619 2,620 1,621 18,622 8,623 1,624 4,625 2,626 1,628 5,631 3,633 23,634 10,635 3,636 12,637 2,639 4,641 1,642 3,647 4,650 1,652 1,653 1,654 2,655 2,656 1,661 4,663 1,664 2,665 3,667 39,668 1,669 5,670 2,672 1,673 1,674 1,675 1,676 1,677 1,678 5,679 4.8,680 1,681 2,684 21.917,685 11.481,686 8.417,687 3.636,688 2.969,689 1.361,690 0.964,691 8.631,692 11.192,693 4.007,694 4.585,695 5.145,696 5.685,697 6.241,698 6.577,699 6.953,700 7.327,701 7.681,702 7.963,703 0.889,704 69,705 15.198,706 7.363,707 8.367,708 26.312,709 21.921,710 2.867,711 111.806,714 235.422,715 139.282,716 70.205,717 78.297,718 92.973,719 44.88,721 139.282,722 406.693,723 115.086,724 8.396,725 32.521,726 74.868,727 121.741,728 102.054,730 235.422,731 86.057,732 235.422,733 209.487,734 137.854,735 78.297,737 188.338,738 184.938,741 89.351,742 107.903,743 90.53,745 280.302,746 163.178,747 217.579,749 243.182,750 49.667,751 68.378,752 52.623,753 247.21,754 235.422,755 208.059,756 217.579,758 0.599,759 0.353,760 0.182,761 0.103,762 29,763 16,764 0.077,765 5,767 1,768 4.507,769 398.514,771 24,772 195.376,773 28.981,774 11.615,775 6.26,777 208.059,778 5.434,781 -1.038,783 78.705,784 661.06,785 54,786 25.752,787 1.264,789 -1.57,790 64.178,791 70.511,792 0.318,793 0.726,794 0.878,795 0.915,796 0.915,797 0.915,798 5.308,799 2.01,800 6.252,801 5.923,802 4.828,803 5.273,804 3.661,805 7.133,806 4.72,807 6.553,808 1.863,809 7.871,810 5.615,811 4.691,812 5.255,813 3.987,814 8.286,815 4.457,816 7.896,817 1.569,818 9.595,819 5.404,820 6.535,821 7.456,822 5.641,823 11.344,824 6.336,825 9.269,826 1.539,827 11.379,828 4.608,829 7.155,830 8.19,831 6.717,832 13.255,833 6.844,834 10.672,835 1.367,836 13.199,837 4.423,838 8.552,839 9.941,840 8.121,841 15.892,842 8.25,843 12.094,844 1.208,845 15.044,846 3.237,847 9.487,848 11.016,849 9.396,850 18.102,851 9.095,852 13.533,853 1,854 16.907,855 3.128,856 10.73,857 12.588,858 10.752,859 20.599,860 10.32,861 3.347,862 0.773,863 18.783,864 2.136,865 11.799,866 13.833,867 12.076,868 22.934,869 11.316,870 3.209,871 11.766,872 20.67,873 1.793,874 12.989,875 15.325,876 13.421,877 25.383,878 12.471,879 3.053,880 11.14,881 22.565,882 4.268,883 14.115,884 16.657,885 14.758,886 27.772,887 13.535,888 2.908,889 10.47,890 24.467,891 4.122,892 15.29,893 18.114,894 16.101,895 30.207,896 14.666,897 2.622,898 9.403,899 26.375,900 3.75,901 16.443,902 19.492,903 17.441,904 32.621,905 15.762,906 2.358,907 8.358,908 28.287,909 3.284,910 17.616,911 20.934,912 18.783,913 35.055,914 16.887,915 2.15,916 7.613,917 30.204,918 3.248,919 18.782,920 22.337,921 20.124,922 37.481,923 18,924 21215,925 41692,926 26.471,927 43.051,928 66.253,929 68.803,930 67.106,931 64.402,932 63.872,933 79.265,934 20.153,935 194.414,936 59.95,937 5.641,938 6.461,939 6.927,940 5.304,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 26.601,947 1.577,948 1.638,949 1.598,950 1.533,951 1.521,952 1.887,953 0.48,954 4.629,955 1.427,956 4.059,957 4.078,958 4.103,959 3.997,960 8.513,961 3.999,962 3.93,963 3.956,964 4.01,965 3.868,966 7.999,967 3.866,968 3.862,969 3.906,970 3.773,971 3.721,972 7.999,973 3.723,974 3.728,975 3.756,976 3.752,977 3.613,978 7.431,979 3.626,980 3.512,981 3.58,982 3.549,983 3.285,984 7.426,985 3.302,986 3.316,987 3.349,988 3.475,989 3.077,990 6.818,991 3.097,992 3.205,993 3.252,994 3.339,995 3.046,996 6.468,997 3.083,998 3.111,999 3.206,1000 3.129,1001 2.941,1002 4.929,1003 2.91,1004 0.111,1005 0.106,1006 0.17,1007 0.101,1008 0.08,1009 4.641,1010 0.102,1011 4.461,1012 0.091,1013 7.125,1014 0.28,1015 4.262,1016 0.076,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.054,1025 2.076,1026 1.395,1027 2.071,1028 1.903,1029 1.886,1030 2.032,1031 2.029,1032 1.225,1033 2.034,1034 1.833,1035 1.782,1036 1.956,1037 1.965,1038 1.144,1039 1.968,1040 1.669,1041 1.646,1042 1.763,1043 1.822,1044 0.895,1045 1.803,1046 1.443,1047 1.373,1048 1.659,1049 1.69,1050 0.825,1051 1.683,1052 1.153,1053 1.113,1054 1.513,1055 1.405,1056 0.753,1057 1.429,1058 1.15,1059 1.064,1060 1.359,1061 1.376,1062 0.557,1063 1.345,1064 1.076,1065 1.058,1066 1.329,1067 1.337,1068 0.495,1069 1.315,1070 4.443,1071 5.808,1073 7.365,1075 9.007,1077 10.694,1079 1.613,1080 12.514,1081 40.164,1083 11.123,1084 2.893,1085 5.693,1087 -0.147,1088 1.487,1089 -4.687,1090 9.596,1091 1.713,1092 42.356,1093 117.227,1094 267.983,1095 324.041,1096 337.65,1097 337.65,1098 337.65,1099 151.91,1100 8.223,1101 109.22,1102 109.22,1103 24,1104 13.015,1105 4.17,1106 3.7,1107 70.122,1108 181,1109 204,1110 0.187,1111 264.488,1112 491.74,1113 637.11,1114 45146,1115 8.1,1116 28.482,1117 0.73,1118 0.568,1119 26.982,1120 22.137,1121 18.4,1122 0.438,1123 0.302,1124 11.783,1125 17.022,1126 11.503,1127 9.419,1128 17.766,1129 12.679,1130 17.792,1131 0.287,1132 0.163,1133 16.613,1134 10.128,1135 14.404,1136 0.178,1137 0.089,1138 14.036,1139 7.193,1140 11.588,1141 0.111,1142 0.049,1143 11.583,1144 5.092,1145 9.492,1146 0.07,1147 0.026,1148 9.896,1149 3.579,1150 0.292,1151 122.655,1152 0.194,1153 34.734,1154 0.52,1155 208,1156 846.317,1157 268.805,1158 798.123,1159 1015.2,1160 732,1161 247,1162 655.282,1163 292.417,1164 667.603,1165 996.28,1166 624,1167 6.276}
{0 CHEMBL393124,1 1.864,2 8.04,3 4.552,4 20.722,5 102.086,6 12.826,7 0.444,8 3.658,9 3.716,10 3.677,11 3.404,12 5.004,13 3.381,14 4.087,15 4.152,16 4.139,17 3.808,18 5.436,19 3.764,20 4.388,21 4.483,22 4.278,23 3.973,24 5.76,25 3.91,26 4.406,27 4.52,28 4.258,29 3.92,30 5.892,31 3.859,32 4.399,33 4.521,34 4.447,35 3.892,36 5.865,37 3.846,38 4.347,39 4.455,40 4.298,41 3.822,42 5.976,43 3.769,44 4.163,45 4.272,46 4.24,47 3.621,48 5.81,49 3.578,50 3.971,51 4.091,52 4.003,53 3.457,54 5.564,55 3.353,56 0.135,57 0.373,58 1.604,59 1.992,60 17.842,61 1.973,62 0.206,63 0.566,64 2.63,65 3.238,66 24.624,67 3.56,68 0.402,69 0.766,70 22.231,71 6.014,72 55.296,73 5.837,74 0.485,75 0.834,76 18.829,77 6.131,78 73.813,79 6.196,80 0.531,81 0.831,82 17.902,83 6.358,84 75.615,85 5.978,86 0.6,87 0.753,88 27.621,89 6.569,90 94.794,91 5.853,92 0.494,93 0.626,94 11.5,95 5.063,96 72.809,97 4.467,98 0.415,99 0.518,100 10.048,101 4.287,102 71.597,103 3.859,104 38,105 39,106 0.336,107 0.698,108 0.813,109 0.905,110 0.916,111 0.916,112 3.268,113 0.952,114 -4.66,115 -4.58,116 -4.3,117 1,118 52.9,128 1,129 2,130 1,131 6,132 2,133 4,140 2,143 7,145 2,146 1,147 5,148 15,150 2,152 4,153 16,154 1,155 5,156 1,157 1,158 3,159 10,161 3,163 5,164 11,166 6,167 1,169 4,170 7,172 7,174 3,175 9,177 1,178 1,179 2,180 6,182 2,185 2,186 6,187 855,188 16.455,189 16.455,190 16.455,191 16.455,192 16.455,193 14.223,194 16.821,195 9.396,196 16.938,197 13.215,198 13.215,199 13.215,200 13.215,201 13.215,202 9.747,203 17.029,204 4.355,205 14.163,206 3.223,207 1.211,208 0.574,209 0.059,212 3.942,213 2,215 1,216 1,217 421,218 2.449,220 235.67,223 1.165,224 35.225,226 1,227 1,228 1,229 0.4,231 1,232 0.77,233 53.417,234 201,235 4.615,236 4.118,237 6.798,238 4.207,239 3.222,240 4.231,241 2.035,242 11.193,243 3.171,244 4.334,245 3.54,246 6.445,247 3.922,248 2.957,249 3.98,250 1.058,251 9.943,252 2.851,253 4.083,254 3.229,255 5.998,256 3.623,257 2.665,258 3.593,260 8.355,261 2.524,262 3.626,263 3.132,264 5.141,265 3.097,266 2.201,267 2.937,269 6.17,270 1.963,271 3.479,272 2.777,273 5.044,274 3.023,275 2.122,276 2.767,278 5.865,279 1.882,280 3.352,281 2.698,282 4.874,283 2.812,284 1.901,285 2.524,287 5.369,288 1.604,289 3.235,290 2.444,291 4.862,292 2.728,293 1.819,294 2.344,296 5.19,297 1.515,298 3.141,299 2.182,300 4.123,301 2.256,302 1.271,303 1.856,305 3.337,306 1.237,307 2.635,308 1.552,309 3.97,310 2.118,311 1.121,312 1.644,314 3.06,315 1.116,316 2.572,317 1.193,318 3.388,319 1.683,320 0.713,321 1.153,322 1.47,323 0.684,324 1.532,325 0.907,326 2.775,327 0.962,328 0.12,329 0.144,330 0.262,331 0.08,332 1.392,333 0.801,334 2.649,335 0.884,336 0.104,337 0.131,338 0.212,339 0.067,340 1.262,341 0.688,342 2.467,343 0.716,344 -0.28,345 -0.455,346 -0.516,347 -0.256,348 0.926,349 0.177,350 2.367,351 0.47,352 -0.456,353 -0.578,354 -1.263,355 -0.389,356 0.705,357 -0.108,358 2.365,359 0.264,360 -0.679,361 -0.864,362 -1.894,363 -0.469,364 13.229,365 0.529,366 0.771,367 0.031,368 35.25,369 1.41,370 20,371 0.8,372 15.25,373 0.61,374 20.759,375 0.83,376 23.971,377 0.705,378 25.763,379 1.031,380 6.783,381 0.271,382 5.118,383 0.205,384 0.289,386 0.378,389 0.731,390 0.825,391 0.47,392 0.526,393 0.665,394 0.575,395 0.586,396 0.992,397 0.585,398 0.713,399 0.532,400 0.782,401 1.054,402 1.08,403 1.013,404 1.05,405 0.893,406 1.049,407 0.978,408 1.036,409 0.809,410 0.955,411 0.907,412 1.029,413 1.034,414 1.033,415 0.669,416 0.834,417 1.166,418 0.835,419 1.049,420 1.033,421 1.239,422 1.132,423 1.16,424 1.016,425 1.107,426 1.062,427 0.86,428 1.012,429 1.347,430 0.955,431 1.223,432 0.959,433 1.107,434 0.998,435 1.266,436 1.115,437 6,438 0.025,439 3.556,440 2.125,441 2.031,442 1.201,443 0.795,444 0.474,445 0.255,446 0.127,447 5889,448 26052,449 1.992,450 26.5,452 7,455 2,458 1.689,459 1.807,460 3.036,461 0.312,465 63.386,466 1.864,467 3.877,468 4.514,469 5.029,470 5.087,471 5.087,472 2.419,473 4.244,474 4.618,475 3.164,476 949.073,477 8.034,478 11167.5,480 1,483 172.974,484 1.554,485 4.541,486 0.222,487 0.006,488 0.091,489 0.049,490 0.05,491 0.029,492 0.021,493 0.015,494 0.012,495 0.009,496 0.505,497 0.33,498 1,499 0.866,500 117.328,501 -0.106,502 0.114,503 -0.01,504 0.098,505 -0.083,506 0.08,507 0.044,508 -0.086,509 -0.001,510 -0.024,511 0.031,512 -0.06,513 -0.186,514 -0.155,515 -0.146,516 -0.167,517 -0.095,518 -0.161,519 -0.041,520 -0.043,521 -0.072,522 -0.071,523 0.022,524 -0.101,525 -0.027,526 -0.013,527 0.091,528 0.086,529 -0.113,530 0.13,531 0.069,532 -0.027,533 -0.139,534 -0.107,535 0.078,536 -0.049,537 0.059,538 -0.056,539 0.041,540 -0.039,541 -0.002,542 0.001,543 -0.083,544 0.027,545 -0.044,546 0.053,547 -0.07,548 -0.089,549 2.245,550 5.384,551 0.72,552 18.048,553 1.034,554 1.095,555 3.428,556 11.752,557 0.818,558 3.332,559 3.689,560 3.97,561 4.248,562 4.522,563 4.564,564 4.663,565 4.745,566 4.771,567 4.682,568 5.19,569 0.788,570 436.09,571 3.332,572 4.89,573 5.753,574 6.65,575 7.535,576 8.436,577 9.33,578 10.232,579 11.13,580 12.033,581 5.9,584 1,586 1,589 6,592 6,594 12,597 1,599 3,600 34,601 16,602 2,603 27,604 1,605 36,606 18,607 12,608 6,609 6,610 5,611 3,612 3,613 2,620 1,621 17,624 3,625 1,626 1,628 4,630 1,633 9,634 4,635 2,636 7,637 3,639 2,641 1,642 2,647 3,650 1,652 1,654 2,655 2,661 3,662 1,664 2,667 25,668 1,670 1,675 1,676 1,677 1,678 3,679 5.9,680 1,681 1,684 13.833,685 6.329,686 5.5,687 1.867,688 2.814,689 1.399,690 0.982,691 5.095,692 9.872,693 3.664,694 4.277,695 4.879,696 5.467,697 6.034,698 6.288,699 6.65,700 7.011,701 7.349,702 7.502,703 1,704 43,705 9.196,706 4.027,707 8.126,708 16.745,709 13.645,710 2.626,711 65.639,714 82.398,715 113.195,716 95.024,717 78.297,718 67.828,721 159.15,722 228.523,723 49.07,725 18.011,726 66.334,727 91.891,728 53.858,730 82.398,731 124.251,732 82.398,733 162.266,734 67.828,735 78.297,736 45.954,737 82.398,738 67.828,741 49.07,742 100.962,743 90.53,744 45.954,745 82.398,746 116.898,747 237.447,749 82.398,750 30.26,751 66.334,752 80.567,753 177.185,754 82.398,755 116.898,756 237.447,758 0.591,759 0.355,760 0.194,761 0.115,762 19,763 10,764 0.056,765 2,767 1,768 3.45,769 214.62,771 18,772 116.096,773 17.874,774 7.127,775 3.544,777 116.898,778 9.642,781 2.383,783 60.694,784 436.743,785 38,786 12.384,787 1.596,789 0.037,790 35.153,791 37.221,792 0.366,793 0.762,794 0.887,795 0.988,796 1,797 1,798 4.927,799 1.271,800 5.771,801 5.19,802 4.369,803 4.963,804 2.444,805 6.624,806 4.248,807 6.183,808 1.121,809 7.365,810 3.337,811 4.111,812 4.868,814 7.609,815 3.877,816 7.52,817 0.713,818 9.055,819 3.06,820 6.009,821 7.194,822 3.632,823 10.724,824 5.83,825 8.887,826 0.12,827 10.799,828 1.47,829 6.509,830 7.851,832 12.508,833 6.266,834 10.28,835 0.104,836 12.579,837 0.262,838 7.932,839 9.687,840 4.982,841 15.165,842 7.721,843 11.693,844 -0.28,845 14.383,846 0.212,847 8.779,848 10.707,850 17.292,851 8.533,852 13.123,853 -0.456,854 16.206,855 -0.516,856 10.022,857 12.328,858 6.383,859 19.781,860 9.787,861 3.222,862 -0.679,863 18.044,864 -1.263,865 11.031,866 13.537,868 22.058,869 10.774,870 2.957,871 11.193,872 19.893,873 -1.894,874 12.207,875 15.055,876 7.798,877 24.485,878 11.948,879 2.665,880 9.943,881 21.751,882 4.231,883 13.29,884 16.364,886 26.827,887 13.015,888 2.201,889 8.355,890 23.616,891 3.98,892 14.442,893 17.831,894 9.218,895 29.233,896 14.16,897 2.122,898 6.17,899 25.488,900 3.593,901 15.56,902 19.192,904 31.606,905 15.263,906 1.901,907 5.865,908 27.365,909 2.937,910 16.707,911 20.636,912 10.638,913 34.006,914 16.4,915 1.819,916 5.369,917 29.246,918 2.767,919 17.842,920 22.026,922 36.394,923 17.521,924 5892,925 12478,926 17.224,927 27.796,928 42.245,929 45.606,930 43.508,931 40.659,932 40.433,933 54.603,934 6.186,935 120.852,936 37.388,937 5.496,938 6.118,939 6.302,940 5.248,941 5.222,942 7.231,943 4.069,944 18.53,945 5.171,946 15.118,947 1.565,948 1.689,949 1.611,950 1.506,951 1.498,952 2.022,953 0.229,954 4.476,955 1.385,956 4.033,957 4.048,958 6.88,959 3.984,960 7.43,961 3.982,962 3.881,963 3.893,964 4.116,965 3.85,966 6.818,967 3.836,968 3.69,969 3.711,970 3.875,971 3.599,972 6.469,973 3.603,974 3.2,975 3.248,976 3.673,977 3.095,978 5.013,979 3.095,980 2.998,981 3.017,982 3.61,983 2.883,984 4.682,985 2.86,986 2.955,987 2.964,988 3.144,989 2.86,990 4.658,991 2.819,992 2.904,993 2.918,994 2.962,995 2.778,996 4.382,997 2.781,998 2.848,999 2.896,1000 2.845,1001 2.65,1002 3.931,1003 2.694,1004 0.171,1005 0.153,1006 0.252,1007 0.156,1008 0.119,1009 4.615,1010 0.157,1011 4.118,1012 0.075,1013 6.798,1014 0.415,1015 4.207,1016 0.117,1017 3.222,1018 4.231,1019 2.035,1020 11.193,1021 3.171,1022 1.982,1023 1.97,1024 2.022,1025 2.054,1026 1.187,1027 2.051,1028 1.867,1029 1.855,1030 1.917,1031 1.924,1032 1.068,1033 1.937,1034 1.64,1035 1.621,1036 1.705,1037 1.762,1038 0.788,1039 1.753,1040 1.144,1041 1.111,1042 1.237,1043 1.302,1044 0.3,1045 1.279,1046 0.899,1047 0.864,1048 1.115,1049 1.137,1050 0.15,1051 1.115,1052 0.87,1053 0.849,1054 1.045,1055 1.092,1056 0.099,1057 1.079,1058 0.844,1059 0.827,1060 0.95,1061 1.01,1063 1.022,1064 0.765,1065 0.726,1066 0.899,1067 0.938,1069 0.961,1070 4.007,1071 5.352,1073 6.899,1075 8.541,1077 10.234,1078 3.331,1080 12.261,1083 10.111,1085 2.62,1090 9.378,1091 1.896,1092 26.787,1093 63.386,1094 131.812,1095 153.464,1096 170.974,1097 172.974,1098 172.974,1099 59.024,1100 7.058,1101 76.88,1102 76.88,1103 18,1104 12.554,1105 4.087,1106 3.585,1107 41.326,1108 77,1109 70,1110 0.268,1111 179.212,1112 321.32,1113 429.037,1114 9375,1115 8.8,1116 18.137,1117 0.725,1118 0.623,1119 20.137,1120 15.576,1121 11.901,1122 0.441,1123 0.317,1124 7.077,1125 10.487,1126 6.812,1127 5.585,1128 13.056,1129 8.571,1130 11.063,1131 0.284,1132 0.178,1133 12.659,1134 6.958,1135 9.198,1136 0.177,1137 0.09,1138 10.343,1139 4.67,1140 7.648,1141 0.111,1142 0.047,1143 8.582,1144 3.209,1145 6.542,1146 0.072,1147 0.027,1148 8.01,1149 2.482,1150 0.402,1151 88.045,1152 0.241,1153 23.499,1154 0.799,1155 132,1156 440.924,1157 235.975,1158 532.417,1159 681.31,1160 488,1161 157,1162 415.787,1163 213.55,1164 458.033,1165 667.68,1166 430,1167 6.095}
{0 CHEMBL394046,1 1.852,2 16.457,3 5.54,4 30.689,5 168.674,6 8.826,7 0.245,8 4.442,9 4.542,10 4.124,11 3.975,12 5.661,13 3.975,14 5.016,15 5.172,16 4.607,17 4.394,18 6.505,19 4.383,20 5.299,21 5.453,22 4.707,23 4.613,24 6.553,25 4.577,26 5.495,27 5.704,28 4.757,29 4.622,30 6.814,31 4.587,32 5.396,33 5.569,34 4.785,35 4.614,36 6.74,37 4.59,38 5.422,39 5.598,40 4.885,41 4.673,42 6.847,43 4.621,44 5.507,45 5.742,46 4.749,47 4.62,48 6.816,49 4.552,50 5.363,51 5.573,52 4.737,53 4.497,54 6.949,55 4.448,56 0.289,57 1.266,58 11.542,59 7.201,60 47.797,61 8.014,62 1.335,63 2.375,64 28.486,65 12.356,66 190.005,67 14.631,68 1.082,69 2.463,70 40.157,71 17.071,72 128.991,73 19.571,74 1.946,75 2.736,76 60.666,77 19.819,78 298.586,79 23.373,80 1.807,81 2.554,82 52.462,83 17.162,84 258.2,85 18.884,86 1.724,87 2.581,88 56.036,89 19.78,90 262.331,91 23.329,92 1.87,93 2.798,94 67.475,95 21.331,96 277.069,97 27.296,98 2.048,99 2.504,100 54.431,101 17.529,102 374.403,103 21.913,104 208,105 74,106 0.283,107 0.642,108 0.803,109 0.83,110 0.83,111 0.83,112 3.853,113 0.915,114 -4.68,115 -4.6,116 -4.32,118 41.6,119 3,120 2,121 1,122 1,123 3,125 1,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 3,141 1,143 11,144 4,145 10,146 1,147 5,148 19,150 8,152 4,153 15,154 1,155 17,156 2,157 1,158 3,159 13,160 2,161 8,163 5,164 11,166 10,167 3,169 6,170 17,171 4,172 9,174 4,175 16,176 1,177 5,178 2,179 4,180 11,182 13,183 1,185 3,186 10,187 4928,188 29.029,189 29.029,190 29.029,191 29.029,192 29.029,193 26.652,194 40.207,195 16.174,196 29.906,197 24.024,198 24.024,199 24.024,200 24.024,201 24.024,202 20.047,203 51.281,204 7.545,205 25.579,206 4.415,207 2.07,208 1.018,209 0.841,210 0.841,211 0.841,212 4.531,213 2,216 1,217 1580,218 5.523,220 675.596,223 2.674,224 98.546,226 0.75,227 0.67,228 0.83,229 0.9,230 1,231 0.83,232 0.85,233 104.167,234 757,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.208,251 11.14,252 3.003,253 4.369,254 3.855,255 6.611,256 4.09,257 3.155,258 3.75,259 2.035,260 10.47,261 2.942,262 4.202,263 3.806,264 6.485,265 4.017,266 3.053,267 3.303,268 1.943,269 10.253,270 2.886,271 4.084,272 3.542,273 6.336,274 3.908,275 2.926,276 3.277,277 1.058,278 9.427,279 2.83,280 3.963,281 3.286,282 5.995,283 3.597,284 2.655,285 3.232,286 0.736,287 8.37,288 2.484,289 3.785,290 3.232,291 5.924,292 3.556,293 2.611,294 3.023,295 0.655,296 8.266,297 2.419,298 3.726,299 3.175,300 5.712,301 3.321,302 2.338,303 2.853,304 0.13,305 7.601,306 2.294,307 3.446,308 2.736,309 5.057,310 3.008,311 2.122,312 2.748,313 0.079,314 5.897,315 1.885,316 3.295,317 2.639,318 4.979,319 2.873,320 1.934,321 2.385,322 5.576,323 1.75,324 3.237,325 2.445,326 4.969,327 2.831,328 1.863,329 2.135,330 5.404,331 1.704,332 3.064,333 2.395,334 4.608,335 2.464,336 1.569,337 2.012,338 4.608,339 1.442,340 2.902,341 2.103,342 4.591,343 2.448,344 1.486,345 1.967,346 4.414,347 1.317,348 2.841,349 2.024,350 4.133,351 2.257,352 1.29,353 1.788,354 3.481,355 1.227,356 2.603,357 1.844,358 4.078,359 2.199,360 1.206,361 1.462,362 3.224,363 1.182,364 21.552,365 0.469,366 1.869,367 0.041,368 52.5,369 1.141,370 23,371 0.5,372 29.5,373 0.641,374 55.353,375 1.203,376 51.648,377 0.671,378 56.425,379 1.227,380 10.241,381 0.223,382 11.149,383 0.242,384 0.279,385 0.046,386 0.362,387 3,389 0.64,390 1.109,391 0.582,392 1.02,393 0.596,394 0.928,395 0.478,396 0.747,397 0.562,398 0.779,399 0.389,400 0.776,401 0.854,402 1.013,403 0.914,404 1.136,405 0.66,406 1.119,407 1.055,408 0.858,409 0.833,410 0.804,411 1.04,412 0.83,413 1.149,414 0.821,415 1.038,416 0.857,417 1.162,418 0.912,419 0.658,420 0.967,421 0.918,422 1.161,423 0.679,424 1.103,425 0.691,426 0.909,427 0.789,428 0.929,429 0.701,430 0.881,431 0.693,432 0.792,433 0.8,434 0.877,435 0.703,436 0.884,437 14,438 0.467,439 7.111,440 4.438,441 3.644,442 2.674,443 1.672,444 1.401,445 0.875,446 0.635,447 36065,448 132254,449 1.922,450 40.3,452 15,455 2,456 1,457 13,458 1.833,459 1.714,460 3.946,461 0.17,465 142.598,466 1.852,467 4.196,468 5.249,469 5.425,470 5.425,471 5.425,472 3.399,473 5.04,474 5.491,475 4.192,476 4339.12,477 9.744,478 83400.4,483 482.543,484 1.771,485 5.389,486 0.286,487 0.008,488 0.096,489 0.055,490 0.045,491 0.033,492 0.02,493 0.018,494 0.012,495 0.01,496 0.585,497 0.17,498 0.88,499 1.139,500 271.283,501 -0.051,502 -0.095,503 0.006,504 -0.026,505 -0.059,506 0.005,507 0.306,508 0.299,509 0.17,510 0.19,511 0.304,512 0.173,513 -0.107,514 -0.158,515 -0.095,516 -0.151,517 -0.024,518 -0.144,519 -0.112,520 -0.005,521 0.07,522 0.143,523 -0.078,524 0.157,525 -0.19,526 0.05,527 -0.084,528 0.096,529 -0.176,530 0.027,531 0.13,532 -0.111,533 0.089,534 -0.148,535 0.115,536 -0.092,537 0.104,538 -0.084,539 0.2,540 0.05,541 0.098,542 0.17,543 0.234,544 0.097,545 0.193,546 0.093,547 0.265,548 0.118,549 5.963,550 6.312,551 0.522,552 65.365,553 1.031,554 1.138,555 3.448,556 11.892,557 0.675,558 3.912,559 4.317,560 4.533,561 4.779,562 5.03,563 5.17,564 5.293,565 5.407,566 5.497,567 5.576,568 9.667,569 0.661,570 679.57,571 3.912,572 5.509,573 6.361,574 7.272,575 8.144,576 9.053,577 9.935,578 10.843,579 11.73,580 12.638,581 5.2,584 3,586 1,589 5,592 7,594 12,597 1,599 2,600 77,601 18,602 2,603 49,605 80,606 32,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 4,616 2,617 1,618 1,619 2,620 1,621 19,622 12,623 2,624 5,625 3,626 1,628 6,631 3,633 31,634 12,635 2,636 14,637 2,639 4,641 1,642 5,647 4,650 1,652 1,653 1,654 2,655 2,658 1,661 4,663 4,664 2,665 3,667 46,668 1,669 5,670 1,671 1,672 1,673 2,674 2,675 1,676 1,677 1,678 5,679 6.5,680 1,681 3,683 1,684 26.833,685 15.264,686 9.736,687 4.511,688 3.01,689 1.348,690 0.933,691 10.621,692 11.669,693 4.143,694 4.718,695 5.223,696 5.748,697 6.276,698 6.615,699 6.989,700 7.349,701 7.699,702 7.979,703 0.909,704 80,705 17.885,706 8.544,707 8.342,708 31.089,709 25.673,710 2.842,711 130.722,714 341.362,715 172.52,716 55.319,717 78.297,718 129.118,719 44.88,721 172.52,722 548.777,723 100.199,724 34.872,725 35.646,726 56.857,727 146.886,728 113.054,729 6.763,730 341.362,731 86.057,732 341.362,733 227.839,734 173.998,735 78.297,737 188.338,738 327.023,741 100.94,742 114.666,743 90.53,745 386.242,746 184.437,747 250.817,749 349.121,750 56.429,751 97.978,752 34.612,753 283.355,754 341.362,755 229.317,756 250.817,758 0.608,759 0.34,760 0.173,761 0.096,762 34,763 20,764 0.088,765 7,767 1,768 4.994,769 488.264,771 24,772 240.574,773 35.477,774 13.772,775 8.325,777 229.317,778 5.322,781 -1.329,783 60.694,784 821.496,785 62,786 38.648,787 1.24,789 -2.273,790 79.367,791 87.591,792 0.296,793 0.67,794 0.838,795 0.866,796 0.866,797 0.866,798 5.464,799 2.338,800 6.438,801 8.266,802 5.004,803 5.407,804 3.866,805 7.327,806 4.89,807 6.721,808 2.122,809 8.066,810 7.601,811 4.977,812 5.453,813 4.081,814 8.544,815 4.755,816 8.071,817 1.934,818 9.796,819 5.897,820 6.749,821 7.57,822 5.752,823 11.543,824 6.532,825 9.447,826 1.863,827 11.582,828 5.576,829 7.427,830 8.322,831 6.761,832 13.469,833 7.111,834 10.848,835 1.569,836 13.402,837 5.404,838 8.788,839 10.028,840 8.162,841 16.074,842 8.46,843 12.267,844 1.486,845 15.243,846 4.608,847 9.747,848 11.101,849 9.414,850 18.279,851 9.334,852 13.701,853 1.29,854 17.101,855 4.414,856 10.972,857 12.648,858 10.765,859 20.755,860 10.53,861 3.347,862 1.206,863 18.97,864 3.481,865 12.046,866 13.886,867 12.083,868 23.078,869 11.533,870 3.209,871 11.766,872 20.849,873 3.224,874 13.226,875 15.365,876 13.426,877 25.513,878 12.672,879 3.155,880 11.14,881 22.736,882 4.268,883 14.351,884 16.69,885 14.761,886 27.89,887 13.734,888 3.053,889 10.47,890 24.629,891 4.122,892 15.518,893 18.139,894 16.102,895 30.313,896 14.854,897 2.926,898 10.253,899 26.528,900 3.75,901 16.666,902 19.512,903 17.442,904 32.717,905 15.944,906 2.655,907 9.427,908 28.432,909 3.303,910 17.832,911 20.949,912 18.784,913 35.141,914 17.06,915 2.611,916 8.37,917 30.34,918 3.277,919 18.992,920 22.349,921 20.125,922 37.559,923 18.165,924 35473,925 68544,926 30.054,927 52.006,928 77.983,929 81.323,930 79.067,931 75.577,932 75.082,933 91.52,934 25.338,935 232.682,936 70.472,937 5.641,938 6.461,939 6.629,940 5.322,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 36.102,947 1.591,948 1.66,949 1.614,950 1.542,951 1.532,952 1.868,953 0.517,954 4.749,955 1.438,956 4.062,957 4.082,958 4.104,959 3.998,960 8.513,961 4.001,962 3.934,963 3.965,964 4.01,965 3.868,966 7.999,967 3.867,968 3.888,969 3.92,970 3.815,971 3.74,972 7.999,973 3.746,974 3.736,975 3.77,976 3.754,977 3.614,978 7.435,979 3.628,980 3.709,981 3.748,982 3.612,983 3.55,984 7.429,985 3.549,986 3.527,987 3.588,988 3.549,989 3.299,990 7.425,991 3.321,992 3.316,993 3.349,994 3.477,995 3.085,996 6.818,997 3.105,998 3.253,999 3.292,1000 3.358,1001 3.046,1002 6.468,1003 3.087,1004 0.095,1005 0.091,1006 0.145,1007 0.087,1008 0.068,1009 4.641,1010 0.087,1011 4.461,1012 0.078,1013 7.125,1014 0.24,1015 4.262,1016 0.065,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.053,1025 2.077,1026 1.409,1027 2.071,1028 1.903,1029 1.886,1030 2.031,1031 2.04,1032 1.225,1033 2.039,1034 1.843,1035 1.796,1036 1.958,1037 1.97,1038 1.144,1039 1.971,1040 1.691,1041 1.65,1042 1.942,1043 1.887,1044 1.118,1045 1.903,1046 1.668,1047 1.636,1048 1.762,1049 1.82,1050 0.896,1051 1.803,1052 1.45,1053 1.385,1054 1.658,1055 1.694,1056 0.825,1057 1.684,1058 1.165,1059 1.132,1060 1.513,1061 1.429,1062 0.756,1063 1.429,1064 1.153,1065 1.07,1066 1.417,1067 1.404,1068 0.586,1069 1.402,1070 4.595,1071 5.979,1073 7.536,1075 9.172,1077 10.851,1079 6.879,1080 12.591,1081 40.42,1083 11.264,1084 1.453,1085 2.483,1086 5.41,1087 -0.376,1088 2.974,1089 -5.353,1090 9.661,1091 1.707,1092 50.893,1093 142.598,1094 323.117,1095 404.139,1096 417.749,1097 417.749,1098 417.749,1099 210.746,1100 8.659,1101 126.73,1102 126.73,1103 24,1104 13.159,1105 4.248,1106 3.807,1107 91.589,1108 265,1109 290,1110 0.166,1111 317.514,1112 593.18,1113 766.495,1114 82320,1115 6.5,1116 34.137,1117 0.742,1118 0.585,1119 32.637,1120 26.901,1121 21.389,1122 0.437,1123 0.305,1124 13.998,1125 19.794,1126 13.503,1127 11.137,1128 20.755,1129 14.941,1130 21.811,1131 0.295,1132 0.174,1133 20.632,1134 12.846,1135 16.31,1136 0.177,1137 0.087,1138 15.941,1139 8,1140 13.3,1141 0.113,1142 0.048,1143 13.296,1144 5.659,1145 10.474,1146 0.069,1147 0.026,1148 10.879,1149 4.01,1150 0.265,1151 142.003,1152 0.182,1153 40.19,1154 0.443,1155 246,1156 987.1,1157 315.25,1158 925.392,1159 1180.12,1160 848,1161 289,1162 775.881,1163 341.397,1164 786.86,1165 1167.42,1166 732,1167 6.585}
{0 CHEMBL395633,1 1.34,2 7.889,3 4.953,4 24.531,5 75.799,6 8.458,7 0.85,8 3.498,9 3.599,10 3.191,11 3.215,12 4.613,13 3.166,14 3.947,15 4.068,16 3.544,17 3.587,18 5.044,19 3.513,20 4.212,21 4.4,22 3.527,23 3.668,24 5.212,25 3.553,26 4.151,27 4.379,28 3.33,29 3.496,30 5.086,31 3.354,32 3.964,33 4.189,34 3.09,35 3.336,36 4.879,37 3.192,38 3.821,39 4.047,40 3.088,41 3.229,42 4.753,43 3.093,44 3.695,45 3.9,46 2.995,47 3.142,48 4.663,49 2.992,50 3.5,51 3.708,52 2.806,53 2.94,54 4.464,55 2.779,56 0.02,57 0.345,58 4.729,59 2.331,60 4.203,61 3.144,62 0.024,63 0.544,64 8.115,65 3.93,66 7.387,67 5.332,68 0.101,69 0.759,70 15.282,71 5.707,72 15.515,73 7.525,74 0.127,75 0.721,76 15.423,77 5.832,78 16.783,79 7.889,80 0.085,81 0.589,82 13.5,83 4.94,84 14.015,85 6.631,86 0.057,87 0.511,88 10.42,89 4.239,90 10.939,91 5.776,92 0.066,93 0.416,94 11.176,95 3.87,96 11.034,97 5.151,98 0.041,99 0.337,100 8.665,101 3.227,102 8.559,103 4.364,104 2,105 27,106 0.251,107 0.419,108 0.585,109 0.822,110 0.881,111 0.906,112 2.96,113 0.931,114 -6.02,115 -5.87,116 -5.46,118 53.3,131 11,132 2,133 3,143 11,147 4,148 17,152 3,153 12,158 4,159 9,163 2,164 7,169 1,170 10,175 10,180 8,186 5,187 344,188 12.378,189 12.378,190 12.378,191 12.378,192 12.378,193 10.335,194 11.088,195 7.482,196 12.573,197 9.921,198 9.921,199 9.921,200 9.921,201 9.921,202 6.96,203 19.407,204 3.61,205 10.294,206 3.567,207 2.67,208 1.785,209 0.517,210 0.2,211 0.067,212 3.646,213 1,215 1,216 1,217 310,218 1.871,220 136.165,222 71,223 1.247,224 6.688,226 0.75,227 0.83,228 1,229 0.5,231 1,232 0.73,233 36.833,234 142,235 4.41,236 3.034,237 6.186,238 3.928,239 2.936,240 4.337,241 0.4,242 9.243,243 2.916,244 4.059,245 2.917,246 5.612,247 3.622,248 2.67,249 3.662,251 7.765,252 2.531,253 3.631,254 2.566,255 5.163,256 3.199,257 2.256,258 3.048,260 6.426,261 2.121,262 3.214,263 2.044,264 4.663,265 2.747,266 1.826,267 2.475,269 5.049,270 1.618,271 3.118,272 1.618,273 4.407,274 2.618,275 1.618,276 2.427,278 4.351,279 1.607,280 2.887,281 1.414,282 3.616,283 2.395,284 1.399,285 2.074,287 3.002,288 1.389,289 2.66,290 1.248,291 3.481,292 2.167,293 1.185,294 1.735,296 2.594,297 1.141,298 2.187,299 0.718,300 3.184,301 1.698,302 0.702,303 1.036,305 1.624,306 0.699,307 1.367,308 0.227,309 2.916,310 1.012,311 0.048,312 0.061,314 0.13,315 0.046,316 0.965,317 0.171,318 2.302,319 0.484,320 -0.402,321 -0.51,322 -0.896,323 -0.257,324 0.882,325 -0.47,326 2,327 0.382,328 -0.566,329 -0.769,330 -1.426,331 -0.534,332 0.819,333 -0.618,334 2,335 0.331,336 -0.618,337 -0.927,338 -1.604,339 -0.618,340 0.456,341 -0.955,342 2,343 -0.01,344 -1,345 -1.42,346 -2.656,347 -0.989,348 0.314,349 -1.111,350 1.656,351 -0.155,352 -1.147,353 -1.692,354 -3.153,355 -1.111,356 -0.061,357 -1.168,358 1.225,359 -0.548,360 -1.381,361 -1.838,362 -3.432,363 -1.175,364 9.114,365 0.506,366 0.362,367 0.02,368 27.25,369 1.514,370 16.5,371 0.917,372 10.75,373 0.597,374 9.962,375 0.553,376 17.286,377 0.576,378 15.878,379 0.882,380 5.472,381 0.304,382 3.337,383 0.185,384 0.078,386 0.274,389 0.697,390 0.903,391 0.573,392 0.724,393 0.746,394 0.74,395 0.688,396 1.194,397 0.702,398 0.972,399 0.611,400 0.972,401 1.201,402 1.096,403 1.037,404 1.04,405 1.087,406 1.052,407 0.776,408 1.077,409 0.86,410 1.036,411 0.794,412 1.035,413 1.028,414 0.975,415 1.017,416 1.017,417 1.065,418 1.019,419 0.766,420 0.899,421 0.725,422 0.835,423 0.704,424 0.883,425 1.231,426 0.85,427 1.269,428 1.024,429 1.269,430 1.013,431 0.982,432 0.961,433 1.14,434 1.062,435 1.14,436 1.062,437 3.5,438 0.012,439 1.333,440 0.938,441 0.778,442 0.264,443 0.261,444 0.122,445 0.106,446 0.041,447 3016,448 8158,449 2.154,450 40,452 11,455 1,458 1.583,459 2.077,460 3.026,461 -0.389,465 40.187,466 1.34,467 2.237,468 3.121,469 4.39,470 4.707,471 4.84,472 2.489,473 3.837,474 4.146,475 3.12,476 477.315,477 7.015,478 4489.68,480 1,483 147.207,484 1.135,485 4.128,486 0.175,487 0.006,488 0.049,489 0.038,490 0.041,491 0.016,492 0.017,493 0.009,494 0.011,495 0.007,496 0.37,497 0.83,498 0.88,499 0.463,500 76.454,501 -0.044,502 0.063,503 0.01,504 0.055,505 -0.143,506 0.051,507 0.009,508 -0.249,509 -0.036,510 -0.155,511 0.057,512 -0.144,513 -0.155,514 -0.076,515 -0.143,516 -0.126,517 -0.166,518 -0.14,519 0.14,520 -0.065,521 0.02,522 -0.063,523 0.09,524 -0.049,525 -0.097,526 0.015,527 -0.083,528 -0.032,529 -0.131,530 -0.026,531 0.032,532 0.086,533 0.133,534 0.149,535 0.141,536 0.118,537 -0.112,538 0.066,539 -0.08,541 -0.097,542 -0.007,543 -0.003,544 -0.074,545 0.001,546 -0.03,547 -0.023,548 -0.039,549 0.93,550 1.855,551 0.889,552 11.235,553 0.991,554 1.098,555 4.79,556 22.942,557 0.748,558 3.045,559 3.332,560 3.555,561 3.807,562 4.025,563 3.97,564 4.025,565 4.159,566 4.205,567 4.078,568 4.824,569 0.7,570 253.74,571 3.045,572 4.554,573 5.38,574 6.236,575 7.076,576 7.936,577 8.781,578 9.643,579 10.489,580 11.352,581 3.3,585 1,588 2,589 11,592 3,594 17,596 1,599 1,600 30,601 17,602 3,603 20,605 32,606 16,607 16,608 5,609 11,611 3,612 4,613 1,621 16,633 12,634 1,635 1,636 2,637 1,639 1,641 0.667,647 3,649 1,661 2,664 1,667 18,670 1,678 1,684 8.667,685 5.31,686 3.944,687 1.723,688 3.363,689 1.517,690 1.043,691 3.01,692 9.873,693 3.384,694 4.025,695 4.62,696 5.229,697 5.816,698 5.992,699 6.36,700 6.826,701 7.223,702 7.27,703 1,704 25,705 6.593,706 2.75,707 7.552,708 12.777,709 10.439,710 2.052,711 36.944,712 0.002,714 129.482,715 118.399,716 18.011,717 39.149,721 118.399,722 168.631,723 18.011,726 104.239,728 32.171,730 129.482,731 39.149,732 129.482,733 136.41,735 39.149,737 129.482,741 18.011,742 118.399,743 39.149,745 129.482,746 18.011,747 157.547,749 129.482,750 14.16,751 104.239,752 18.011,753 39.149,754 129.482,755 18.011,756 157.547,758 0.573,759 0.322,760 0.178,761 0.098,762 14,763 5,764 0.063,765 2,766 1,767 1.125,768 3.165,769 127.595,770 0.125,771 16,772 73.059,773 11.27,774 4.807,775 2.555,776 2.471,777 18.011,778 22.354,781 2.8,783 18.011,784 305.04,785 28.5,790 29.727,791 32.934,792 0.273,793 0.456,794 0.636,795 0.895,796 0.959,797 0.986,798 4.567,799 0.702,800 5.333,801 2.594,802 4.007,803 4.71,804 0.278,805 6.071,806 3.94,807 5.776,808 0.048,809 6.836,810 1.624,811 3.434,812 4.407,814 6.763,815 3.266,816 7.068,817 -0.402,818 8.434,819 0.13,820 5.525,821 6.959,822 0.05,823 9.836,824 5.409,825 8.396,826 -0.566,827 10.086,828 -0.896,829 5.74,830 7.477,832 11.348,833 5.55,834 9.752,835 -0.618,836 11.774,837 -1.426,838 7.294,839 9.476,840 0.008,841 13.902,842 7.142,843 11.13,844 -1,845 13.487,846 -1.604,847 7.912,848 10.43,850 15.784,851 7.715,852 12.525,853 -1.147,854 15.218,855 -2.656,856 9.208,857 12.156,858 0.001,859 18.134,860 9.032,861 2.936,862 -1.381,863 16.964,864 -3.153,865 10.04,866 13.348,868 20.19,869 9.838,870 2.67,871 9.243,872 18.72,873 -3.432,874 11.21,875 14.936,877 22.457,878 11.018,879 2.256,880 7.765,881 20.485,882 4.337,883 12.153,884 16.258,886 24.595,887 11.946,888 1.826,889 6.426,890 22.258,891 3.662,892 13.263,893 17.778,895 26.829,896 13.061,897 1.618,898 5.049,899 24.038,900 3.048,901 14.263,902 19.166,904 29.008,905 14.054,906 1.399,907 4.351,908 25.822,909 2.475,910 15.346,911 20.654,913 31.23,914 15.138,915 1.185,916 3.002,917 27.611,918 2.427,919 16.377,920 22.079,922 33.429,923 16.164,924 2890,925 4836,926 13.811,927 22.432,928 29.532,929 29.553,930 29.857,931 29.492,932 29.278,933 41.712,934 0.8,935 80.368,936 28.136,937 5.161,938 5.034,939 5.873,940 4.928,941 4.936,942 7.337,943 0.8,944 15.564,945 4.916,946 5.128,947 1.477,948 1.478,949 1.493,950 1.475,951 1.464,952 2.086,953 0.04,954 4.018,955 1.407,956 4.088,957 4.112,958 4.056,959 4.044,960 4.973,961 4.04,962 3.884,963 3.91,964 3.964,965 3.83,966 4.882,967 3.822,968 3.48,969 3.524,970 3.449,971 3.393,972 4.441,973 3.386,974 3.076,975 3.134,976 3.267,977 2.974,978 4.261,979 2.964,980 2.945,981 3.005,982 2.947,983 2.831,984 3.904,985 2.819,986 2.876,987 2.921,988 2.8,989 2.774,990 3.762,991 2.755,992 2.623,993 2.682,994 2.51,995 2.533,996 3.387,997 2.519,998 2.513,999 2.602,1000 2.318,1001 2.358,1002 3.301,1003 2.335,1004 0.221,1005 0.152,1006 0.309,1007 0.196,1008 0.147,1009 4.41,1010 0.217,1011 3.034,1012 0.02,1013 6.186,1014 0.462,1015 3.928,1016 0.146,1017 2.936,1018 4.337,1019 0.4,1020 9.243,1021 2.916,1022 2.073,1023 2.053,1024 2.156,1025 2.133,1026 1.283,1027 2.142,1028 1.872,1029 1.848,1030 1.965,1031 1.952,1032 1.056,1033 1.965,1034 1.482,1035 1.442,1036 1.646,1037 1.602,1038 0.701,1039 1.62,1040 1.082,1041 1.034,1042 1.299,1043 1.237,1044 0.368,1045 1.26,1046 0.928,1047 0.87,1048 1.166,1049 1.116,1050 0.226,1051 1.139,1052 0.866,1053 0.824,1054 1.059,1055 1.007,1056 0.148,1057 1.049,1058 0.646,1059 0.594,1060 0.942,1061 0.812,1062 0.026,1063 0.859,1064 0.545,1065 0.463,1066 0.873,1067 0.762,1069 0.807,1070 3.714,1071 5.004,1073 6.5,1075 8.087,1077 9.718,1080 5.966,1085 3.352,1092 21.01,1093 40.187,1094 67.099,1095 93.643,1096 131.697,1097 141.207,1098 145.207,1099 17.111,1100 6.51,1101 12.03,1102 12.03,1103 18,1104 11.904,1105 4.17,1106 3.248,1107 25.836,1108 52,1109 42,1110 0.247,1111 133.776,1112 220.67,1113 318.173,1114 5239,1115 3.3,1116 12.372,1117 0.687,1118 0.582,1119 12.872,1120 10.485,1121 8.81,1122 0.44,1123 0.31,1124 5.839,1125 8.435,1126 5.66,1127 4.711,1128 9.098,1129 6.204,1130 7.857,1131 0.291,1132 0.172,1133 8.265,1134 4.634,1135 6.36,1136 0.187,1137 0.091,1138 6.622,1139 3.098,1140 5.43,1141 0.123,1142 0.05,1143 5.699,1144 2.19,1145 4.403,1146 0.08,1147 0.027,1148 4.569,1149 1.461,1150 0.382,1151 56.442,1152 0.269,1153 18.132,1154 0.689,1155 94,1156 224.536,1157 111.573,1158 260.753,1159 355.79,1160 244,1161 108,1162 245.116,1163 119.757,1164 264.519,1165 381.4,1166 250,1167 5}
{0 CHEMBL396856,1 1.774,2 16.955,3 6.491,4 42.128,5 167.45,6 8.436,7 0.255,8 4.429,9 4.54,10 4.077,11 3.982,12 5.589,13 3.964,14 5.011,15 5.183,16 4.525,17 4.403,18 6.422,19 4.363,20 5.301,21 5.495,22 4.647,23 4.612,24 6.463,25 4.546,26 5.455,27 5.672,28 4.682,29 4.637,30 6.697,31 4.569,32 5.43,33 5.646,34 4.74,35 4.645,36 6.635,37 4.575,38 5.449,39 5.661,40 4.85,41 4.645,42 6.816,43 4.581,44 5.409,45 5.629,46 4.709,47 4.573,48 6.704,49 4.518,50 5.338,51 5.535,52 4.706,53 4.504,54 6.932,55 4.446,56 0.181,57 1.274,58 12.965,59 7.314,60 38.335,61 8.679,62 1.062,63 2.409,64 30.075,65 12.625,66 164.674,67 15.689,68 0.714,69 2.487,70 45.437,71 17.734,72 100.548,73 22.457,74 1.392,75 2.754,76 57.933,77 19.792,78 221.211,79 24.396,80 1.248,81 2.648,82 58.799,83 19.557,84 175.798,85 24.703,86 1.604,87 2.557,88 64.796,89 20.256,90 244.735,91 25.356,92 1.249,93 2.663,94 59.584,95 19.093,96 198.431,97 23.567,98 1.836,99 2.514,100 52.17,101 16.939,102 343.831,103 21.008,104 134,105 68,106 0.272,107 0.614,108 0.791,109 0.862,110 0.873,111 0.873,112 3.81,113 0.966,114 -5.42,115 -5.31,116 -4.96,118 41.6,119 1,120 5,121 1,122 1,123 4,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 3,143 14,144 1,145 8,146 1,147 5,148 18,150 9,152 4,153 16,154 1,155 8,156 2,157 1,158 3,159 15,160 2,161 7,163 5,164 14,166 10,167 3,169 6,170 14,172 11,174 4,175 16,176 1,177 7,178 2,179 4,180 12,182 7,183 1,185 3,186 11,187 4488,188 28.712,189 28.712,190 28.712,191 28.712,192 28.712,193 26.464,194 36.683,195 16.566,196 29.471,197 23.023,198 23.023,199 23.023,200 23.023,201 23.023,202 19.303,203 45.731,204 7.709,205 24.397,206 4.493,207 2.264,208 1.109,209 0.646,210 0.575,211 0.575,212 4.494,213 2,217 1565,218 4.95,220 638.317,223 2.729,224 85.012,226 0.5,227 0.83,228 0.67,229 0.9,230 1,231 0.83,232 0.82,233 98.167,234 746,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.194,244 4.477,245 4.117,246 6.795,247 4.147,248 3.209,249 4.122,250 2.035,251 11.14,252 3.002,253 4.369,254 3.815,255 6.611,256 4.018,257 3.054,258 3.75,259 1.943,260 10.47,261 2.89,262 4.089,263 3.542,264 6.335,265 3.906,266 2.922,267 3.285,268 1.058,269 9.418,270 2.83,271 3.962,272 3.286,273 5.994,274 3.567,275 2.625,276 3.25,277 0.8,278 8.359,279 2.426,280 3.738,281 3.175,282 5.715,283 3.432,284 2.495,285 3.023,286 0.736,287 7.628,288 2.348,289 3.513,290 2.842,291 5.366,292 3.292,293 2.319,294 2.752,295 0.079,296 6.969,297 2.239,298 3.433,299 2.735,300 5.003,301 2.989,302 2.11,303 2.507,305 5.857,306 1.838,307 3.293,308 2.627,309 4.979,310 2.837,311 1.89,312 2.385,314 5.48,315 1.75,316 3.235,317 2.413,318 4.962,319 2.828,320 1.863,321 2.09,322 5.404,323 1.702,324 2.972,325 2.154,326 4.6,327 2.588,328 1.601,329 2.012,330 4.608,331 1.573,332 2.901,333 2.025,334 4.591,335 2.451,336 1.568,337 1.879,338 4.381,339 1.414,340 2.798,341 1.952,342 4.08,343 2.428,344 1.455,345 1.778,346 3.228,347 1.316,348 2.604,349 1.618,350 3.698,351 2.208,352 1.212,353 1.591,354 3.109,355 1.19,356 2.588,357 1.583,358 3.578,359 1.984,360 1,361 1.193,362 2.275,363 0.983,364 20.886,365 0.475,366 1.426,367 0.032,368 49.25,369 1.119,370 21.5,371 0.489,372 27.75,373 0.631,374 52.309,375 1.189,376 49.314,377 0.64,378 50.216,379 1.141,380 9.366,381 0.213,382 11.466,383 0.261,384 0.224,385 0.024,386 0.35,387 3,389 0.607,390 1.094,391 0.602,392 1.001,393 0.572,394 0.941,395 0.485,396 0.794,397 0.63,398 0.846,399 0.379,400 0.873,401 0.664,402 0.948,403 0.8,404 1.043,405 0.567,406 1.002,407 0.974,408 0.884,409 0.845,410 0.866,411 0.952,412 0.906,413 0.795,414 0.854,415 0.848,416 0.93,417 0.796,418 0.907,419 0.66,420 0.851,421 0.819,422 0.979,423 0.66,424 0.898,425 0.932,426 0.983,427 0.868,428 0.961,429 0.901,430 0.885,431 0.808,432 0.836,433 0.894,434 0.938,435 0.811,436 0.974,437 11,438 0.45,439 6.222,440 3.688,441 3.284,442 2.389,443 1.589,444 1.267,445 0.821,446 0.555,447 32071,448 103615,449 1.962,450 42.9,451 7,452 17,455 2,456 1,457 6,458 1.823,459 1.778,460 3.952,461 0.149,465 136.568,466 1.774,467 4.003,468 5.158,469 5.62,470 5.692,471 5.692,472 3.497,473 5.079,474 5.423,475 4.159,476 3934.58,477 9.616,478 72774.8,483 482.543,484 1.683,485 5.349,486 0.234,487 0.009,488 0.092,489 0.049,490 0.044,491 0.031,492 0.02,493 0.017,494 0.012,495 0.01,496 0.516,497 0.17,498 0.88,499 1.26,500 255.918,501 -0.041,502 -0.075,503 0.007,504 -0.003,505 -0.041,506 0.015,507 0.265,508 0.254,509 0.103,510 0.124,511 0.301,512 0.087,513 -0.013,514 -0.113,515 0.039,516 -0.06,517 0.049,518 0.003,519 -0.07,520 -0.003,521 0.034,522 0.088,523 -0.038,524 0.073,525 0.007,526 -0.023,527 0.102,528 0.043,529 -0.011,530 0.092,531 0.18,532 -0.04,533 0.218,534 0.012,535 0.162,536 0.109,537 -0.022,538 -0.105,539 0.114,540 0.014,541 0.011,542 0.109,543 0.236,544 0.087,545 0.081,546 0.024,547 0.275,548 -0.019,549 5.939,550 6.289,551 0.545,552 61.727,553 1.021,554 1.137,555 4.195,556 17.598,557 0.673,558 3.871,559 4.234,560 4.489,561 4.727,562 4.997,563 5.136,564 5.252,565 5.361,566 5.455,567 5.553,568 9.356,569 0.649,570 649.59,571 3.871,572 5.442,573 6.297,574 7.192,575 8.07,576 8.97,577 9.857,578 10.76,579 11.652,580 12.557,581 5.2,583 1,584 2,586 1,589 5,592 7,594 12,597 1,599 2,600 77,601 17,602 2,603 47,605 80,606 32,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 2,616 2,617 1,618 1,619 5,620 1,621 18,622 13,623 1,624 4,625 2,626 1,628 5,631 3,633 33,634 10,635 2,636 12,637 2,639 4,641 1,642 3,647 4,650 1,652 1,653 1,654 2,655 2,657 1,661 4,663 2,664 2,665 3,667 44,668 1,669 9,670 1,672 1,673 2,674 1,675 1,676 1,677 1,678 5,679 3.9,680 1,681 2,684 24.75,685 14.431,686 9.667,687 4.936,688 2.964,689 1.347,690 0.95,691 11.079,692 11.516,693 4.094,694 4.644,695 5.185,696 5.712,697 6.262,698 6.602,699 6.972,700 7.34,701 7.692,702 7.974,703 1,704 76,705 17.104,706 8.088,707 8.211,708 30.36,709 25.198,710 2.711,711 119.306,714 364.904,715 157.817,716 55.319,717 78.297,718 92.973,719 44.88,721 157.817,722 536.175,723 100.199,724 17.222,725 42.231,726 56.857,727 121.741,728 105.179,730 364.904,731 86.057,732 364.904,733 213.135,734 137.854,735 78.297,737 294.278,738 208.48,741 92.999,742 107.903,743 90.53,745 409.785,746 148.292,747 236.114,749 372.664,750 59.376,751 80.328,752 34.612,753 247.21,754 364.904,755 193.172,756 236.114,758 0.591,759 0.344,760 0.176,761 0.1,762 30,763 17,764 0.113,765 9,767 1,768 4.952,769 456.732,771 24,772 231.46,773 33.872,774 14.391,775 7.994,777 193.172,778 5.495,781 -0.99,783 60.694,784 794.19,785 59,786 26.227,787 1.277,789 -1.52,790 78.596,791 87.587,792 0.283,793 0.639,794 0.823,795 0.897,796 0.908,797 0.908,798 5.389,799 2.11,800 6.333,801 6.969,802 4.92,803 5.333,804 3.678,805 7.2,806 4.814,807 6.618,808 1.89,809 7.942,810 5.857,811 4.745,812 5.286,813 3.994,814 8.326,815 4.506,816 7.951,817 1.863,818 9.656,819 5.48,820 6.608,821 7.486,822 5.642,823 11.38,824 6.407,825 9.316,826 1.601,827 11.43,828 5.404,829 7.201,830 8.206,831 6.717,832 13.276,833 6.884,834 10.711,835 1.568,836 13.242,837 4.608,838 8.604,839 9.955,840 8.121,841 15.909,842 8.297,843 12.127,844 1.455,845 15.079,846 4.381,847 9.523,848 11.024,849 9.396,850 18.112,851 9.124,852 13.561,853 1.212,854 16.936,855 3.228,856 10.766,857 12.594,858 10.752,859 20.607,860 10.35,861 3.347,862 1,863 18.807,864 3.109,865 11.825,866 13.836,867 12.076,868 22.938,869 11.336,870 3.209,871 11.766,872 20.69,873 2.275,874 13.014,875 15.328,876 13.421,877 25.387,878 12.492,879 3.054,880 11.14,881 22.581,882 4.268,883 14.135,884 16.658,885 14.758,886 27.774,887 13.551,888 2.922,889 10.47,890 24.48,891 4.122,892 15.308,893 18.115,894 16.101,895 30.209,896 14.681,897 2.625,898 9.418,899 26.385,900 3.75,901 16.458,902 19.492,903 17.441,904 32.622,905 15.775,906 2.495,907 8.359,908 28.296,909 3.285,910 17.629,911 20.934,912 18.783,913 35.056,914 16.899,915 2.319,916 7.628,917 30.211,918 3.25,919 18.793,920 22.337,921 20.124,922 37.482,923 18.01,924 31469,925 57570,926 29.649,927 51.858,928 72.921,929 75.529,930 74.478,931 71.069,932 70.516,933 85.904,934 20.953,935 211.313,936 66.387,937 5.641,938 6.461,939 7.035,940 5.304,941 5.347,942 7.268,943 5.86,944 19.169,945 5.194,946 30.778,947 1.552,948 1.607,949 1.585,950 1.512,951 1.5,952 1.828,953 0.446,954 4.496,955 1.412,956 4.062,957 4.083,958 4.104,959 3.998,960 8.513,961 4.001,962 3.935,963 3.971,964 4.01,965 3.868,966 7.999,967 3.867,968 3.89,969 3.925,970 3.802,971 3.754,972 7.999,973 3.755,974 3.734,975 3.773,976 3.754,977 3.615,978 7.431,979 3.628,980 3.685,981 3.74,982 3.558,983 3.553,984 7.426,985 3.536,986 3.519,987 3.587,988 3.549,989 3.301,990 6.818,991 3.316,992 3.317,993 3.391,994 3.447,995 3.132,996 6.468,997 3.124,998 3.3,999 3.348,1000 3.342,1001 3.066,1002 4.929,1003 3.09,1004 0.099,1005 0.095,1006 0.152,1007 0.091,1008 0.071,1009 4.641,1010 0.091,1011 4.461,1012 0.081,1013 7.125,1014 0.25,1015 4.262,1016 0.068,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.194,1022 1.995,1023 1.982,1024 2.074,1025 2.078,1026 1.438,1027 2.076,1028 1.905,1029 1.887,1030 2.039,1031 2.048,1032 1.294,1033 2.053,1034 1.86,1035 1.809,1036 1.976,1037 1.973,1038 1.225,1039 1.976,1040 1.708,1041 1.654,1042 1.951,1043 1.88,1044 1.144,1045 1.91,1046 1.667,1047 1.634,1048 1.765,1049 1.818,1050 0.93,1051 1.803,1052 1.459,1053 1.39,1054 1.688,1055 1.697,1056 0.885,1057 1.694,1058 1.321,1059 1.237,1060 1.641,1061 1.545,1062 0.825,1063 1.588,1064 1.153,1065 1.106,1066 1.513,1067 1.404,1068 0.749,1069 1.429,1070 4.554,1071 5.905,1073 7.447,1075 9.078,1077 10.757,1079 3.812,1080 12.622,1081 40.39,1083 11.264,1084 7.739,1085 2.516,1087 -0.141,1088 3.912,1089 -4.689,1090 9.661,1091 1.729,1092 49.99,1093 136.568,1094 308.207,1095 397.184,1096 432.768,1097 438.278,1098 438.278,1099 181.364,1100 8.552,1101 100.43,1102 100.43,1103 24,1104 13.078,1105 4.17,1106 3.7,1107 85.261,1108 242,1109 348,1110 0.168,1111 312.449,1112 578.24,1113 754.136,1114 71891,1115 6.5,1116 32.181,1117 0.731,1118 0.589,1119 30.681,1120 25.912,1121 20.832,1122 0.443,1123 0.322,1124 14.224,1125 19.425,1126 13.842,1127 11.422,1128 20.198,1129 15.128,1130 19.67,1131 0.289,1132 0.175,1133 18.491,1134 11.927,1135 15.862,1136 0.18,1137 0.097,1138 15.493,1139 8.519,1140 12.614,1141 0.113,1142 0.054,1143 12.609,1144 6.012,1145 10.302,1146 0.07,1147 0.029,1148 10.707,1149 4.287,1150 0.268,1151 137.358,1152 0.184,1153 38.836,1154 0.451,1155 230,1156 873.629,1157 291.499,1158 825.302,1159 1053.8,1160 758,1161 271,1162 684.268,1163 317.583,1164 697.42,1165 1039.78,1166 652,1167 6.658}
{0 CHEMBL397092,1 1.354,2 7.059,3 4.283,4 18.345,5 72.738,6 10.524,7 0.895,8 3.398,9 3.488,10 3.289,11 3.169,12 4.523,13 3.111,14 3.846,15 3.96,16 3.701,17 3.55,18 4.938,19 3.467,20 4.081,21 4.249,22 3.724,23 3.641,24 5.095,25 3.517,26 4.007,27 4.209,28 3.55,29 3.473,30 4.976,31 3.327,32 3.85,33 4.069,34 3.436,35 3.305,36 4.786,37 3.153,38 3.624,39 3.816,40 3.373,41 3.127,42 4.6,43 2.969,44 3.403,45 3.607,46 3.162,47 2.932,48 4.327,49 2.761,50 3.224,51 3.445,52 2.995,53 2.695,54 4.096,55 2.459,56 0.011,57 0.273,58 2.011,59 1.892,60 3.7,61 2.605,62 0.027,63 0.454,64 3.95,65 3.214,66 5.895,67 4.282,68 0.061,69 0.609,70 16.931,71 5.343,72 11.098,73 6.63,74 0.071,75 0.611,76 13.86,77 5.058,78 13.168,79 6.329,80 0.071,81 0.531,82 14.362,83 4.646,84 11.521,85 5.724,86 0.08,87 0.382,88 16.668,89 3.894,90 9.527,91 4.548,92 0.031,93 0.313,94 6.291,95 2.881,96 6.437,97 3.755,98 0.03,99 0.251,100 10.478,101 2.925,102 6.335,103 3.582,104 2,105 26,106 0.259,107 0.458,108 0.674,109 0.876,110 0.909,111 0.909,112 2.909,113 0.983,114 -5.36,115 -5.25,116 -4.9,117 1,118 55.6,131 9,132 3,133 1,134 1,135 1,143 11,145 3,148 15,150 4,153 13,155 3,159 10,161 1,164 8,166 2,170 8,175 6,180 5,186 2,187 284,188 11.723,189 11.723,190 11.723,191 11.723,192 11.723,193 9.744,194 1.644,195 7.03,196 11.942,197 9.409,198 9.409,199 9.409,200 9.409,201 9.409,202 6.526,203 0.676,204 3.362,205 9.821,206 3.401,207 2.361,208 1.233,209 0.176,212 3.592,215 1,216 1,217 263,218 1.581,220 120.24,222 62.975,223 1.128,224 5.599,226 1,227 1,228 1,229 0.5,231 1,232 0.79,233 34.25,234 120,235 4.45,236 3.048,237 6.293,238 3.99,239 3.003,240 4.363,242 9.593,243 2.963,244 4.129,245 2.865,246 6.006,247 3.68,248 2.704,249 3.776,251 8.607,252 2.642,253 3.6,254 2.508,255 5.041,256 3.111,257 2.21,258 3.023,260 6.053,261 1.929,262 3.118,263 1.618,264 4.45,265 2.586,266 1.618,267 2.427,269 4.432,270 1.564,271 3.003,272 1.61,273 4.213,274 2.499,275 1.528,276 2.237,278 3.833,279 1.456,280 2.806,281 1.37,282 3.608,283 2.295,284 1.326,285 1.949,287 2.947,288 1.222,289 2.588,290 1.099,291 3.471,292 2.086,293 1.094,294 1.631,296 2.514,297 1.079,298 2.15,299 0.654,300 3.162,301 1.623,302 0.653,303 0.976,305 1.533,306 0.632,307 1.097,308 0.18,309 2.622,310 0.639,311 -0.332,312 -0.453,314 -0.785,315 -0.209,316 0.911,317 -0.354,318 2.209,319 0.363,320 -0.438,321 -0.564,322 -1.039,323 -0.35,324 0.882,325 -0.618,326 2,327 0.359,328 -0.618,329 -0.927,330 -1.597,331 -0.603,332 0.624,333 -0.835,334 2,335 0.141,336 -0.845,337 -1.227,338 -2.231,339 -0.831,340 0.395,341 -1.099,342 1.784,343 -0.11,344 -1.103,345 -1.65,346 -2.968,347 -1.081,348 -0.015,349 -1.146,350 1.471,351 -0.498,352 -1.352,353 -1.824,354 -3.402,355 -1.107,356 -0.114,357 -1.522,358 1.106,359 -0.693,360 -1.54,361 -2.164,362 -4.3,363 -1.489,364 9.233,365 0.543,366 0.346,367 0.02,368 26,369 1.529,370 16,371 0.941,372 10,373 0.588,374 10.308,375 0.606,376 15.367,377 0.569,378 13.816,379 0.813,380 4.962,381 0.292,382 3.365,383 0.198,384 0.144,386 0.271,389 0.593,390 0.895,391 0.453,392 0.641,393 0.791,394 0.704,395 0.809,396 1.015,397 0.574,398 0.768,399 0.834,400 0.859,401 1.024,402 1.11,403 0.956,404 1.038,405 0.955,406 1.036,407 1.137,408 1.082,409 0.779,410 0.952,411 1.166,412 1.035,413 1.172,414 0.912,415 0.87,416 0.873,417 1.083,418 0.914,419 1.065,420 1.039,421 1.433,422 1.27,423 1.056,424 1.123,425 0.77,426 0.883,427 0.833,428 0.867,429 0.912,430 0.968,431 0.933,432 1.017,433 1.535,434 1.261,435 0.959,436 1.2,437 3,439 1.778,440 0.688,441 0.858,442 0.389,443 0.162,444 0.142,445 0.053,446 0.016,447 2439,448 6905,449 2.163,450 37,452 9,454 1,458 1.569,459 2.082,460 2.885,461 -0.865,465 36.559,466 1.354,467 2.394,468 3.522,469 4.579,470 4.755,471 4.755,472 2.307,473 3.97,474 4.063,475 2.951,476 401.331,477 6.864,478 3541.97,480 1,482 1,483 128.382,484 1.166,485 4.043,486 0.158,488 0.068,489 0.027,490 0.045,491 0.024,492 0.012,493 0.014,494 0.009,495 0.008,496 0.367,497 0.83,498 1,499 0.481,500 69.514,501 0.018,502 -0.031,503 0.001,504 0.004,505 -0.104,506 0.021,507 -0.048,508 -0.108,509 -0.003,510 -0.055,511 -0.06,512 -0.089,513 -0.077,514 -0.157,515 -0.079,516 -0.14,517 -0.026,518 -0.128,519 -0.108,520 -0.057,521 -0.019,522 -0.041,523 -0.122,524 -0.08,525 -0.085,526 0.132,527 0.004,528 0.107,529 -0.005,530 0.093,531 0.113,532 -0.067,533 -0.096,534 -0.179,535 0.005,536 -0.114,537 0.014,538 0.05,539 0.07,540 0.122,541 -0.012,542 0.049,543 0.012,544 -0.119,545 -0.033,546 -0.035,547 0.018,548 -0.066,549 0.633,550 1.472,551 0.941,552 9.689,553 0.991,554 1.089,555 4.133,556 17.081,557 0.784,558 2.996,559 3.296,560 3.555,561 3.807,562 4.06,563 4.025,564 4.127,565 4.19,566 4.234,567 4.025,568 4.335,569 0.729,570 284.16,571 2.996,572 4.511,573 5.352,574 6.217,575 7.074,576 7.943,577 8.807,578 9.678,579 10.544,580 11.416,581 3.7,587 1,588 2,589 10,590 1,592 3,594 17,599 1,600 27,601 17,602 2,603 19,604 1,605 29,606 15,607 15,608 4,609 8,611 3,612 4,621 15,630 1,633 10,634 1,636 2,637 1,639 1,641 0.667,643 1,647 3,649 1,661 2,662 1,667 17,678 1,684 8.167,685 4.926,686 3.722,687 1.583,688 3.412,689 1.53,690 1.05,691 2.657,692 9.852,693 3.35,694 4.007,695 4.649,696 5.276,697 5.906,698 6.173,699 6.644,700 7.083,701 7.507,702 7.601,703 0.8,704 25,705 6.232,706 2.604,707 7.505,708 12.124,709 9.952,710 2.005,711 34.083,712 0.003,714 117.711,715 108.477,716 62.74,721 154.431,722 117.711,723 16.786,726 85.286,727 28.557,728 23.191,730 105.94,731 45.954,732 117.711,733 125.263,736 45.954,737 117.711,741 11.192,742 97.285,743 16.786,744 45.954,745 117.711,746 16.786,747 154.431,749 117.711,750 14.143,751 94.334,752 45.954,753 16.786,754 117.711,755 16.786,756 154.431,758 0.576,759 0.333,760 0.183,761 0.104,762 14,763 5,764 0.034,765 1,766 1,767 1.125,768 3.018,769 120.883,770 0.125,771 16,772 67.487,773 10.489,774 4.306,775 2.087,776 2.205,777 16.786,778 20.51,779 4.472,781 3.408,784 288.928,785 27.5,790 26.749,791 29.416,792 0.285,793 0.503,794 0.741,795 0.963,796 1,797 1,798 4.535,799 0.653,800 5.313,801 2.514,802 3.97,803 4.691,805 6.084,806 3.896,807 5.754,808 -0.332,809 6.841,810 1.533,811 3.434,812 4.407,814 6.88,815 3.266,816 7.055,817 -0.438,818 8.468,819 -0.785,820 5.517,821 6.969,823 9.968,824 5.402,825 8.396,826 -0.618,827 10.155,828 -1.039,829 5.802,830 7.527,832 11.6,833 5.632,834 9.767,835 -0.845,836 11.88,837 -1.597,838 7.34,839 9.518,841 14.17,842 7.199,843 11.16,844 -1.103,845 13.632,846 -2.231,847 8.028,848 10.509,850 16.144,851 7.857,852 12.572,853 -1.352,854 15.402,855 -2.968,856 9.316,857 12.226,859 18.518,860 9.156,861 3.003,862 -1.54,863 17.185,864 -3.402,865 10.205,866 13.444,868 20.641,869 10.026,870 2.704,871 9.593,872 18.978,873 -4.3,874 11.377,875 15.027,877 22.936,878 11.198,879 2.21,880 8.607,881 20.779,882 4.363,883 12.365,884 16.363,886 25.124,887 12.172,888 1.618,889 6.053,890 22.584,891 3.776,892 13.486,893 17.882,895 27.388,896 13.288,897 1.528,898 4.432,899 24.394,900 3.023,901 14.523,902 19.28,904 29.607,905 14.312,906 1.326,907 3.833,908 26.208,909 2.427,910 15.622,911 20.768,913 31.859,914 15.403,915 1.094,916 2.947,917 28.024,918 2.237,919 16.684,920 22.2,922 34.093,923 16.452,924 2352,925 4035,926 13.118,927 21.165,928 28.53,929 28.502,930 28.698,931 28.5,932 28.272,933 40.768,935 79.025,936 26.973,937 5.073,938 5.048,939 5.981,940 5.028,941 5.003,942 7.363,944 16.044,945 4.963,946 4.838,947 1.502,948 1.5,949 1.51,950 1.5,951 1.488,952 2.146,954 4.159,955 1.42,956 4.087,957 4.112,958 6.88,959 4.033,960 5.007,961 4.031,962 3.854,963 3.877,964 4.038,965 3.825,966 4.719,967 3.806,968 3.409,969 3.451,970 3.715,971 3.338,972 4.357,973 3.325,974 2.995,975 3.056,976 3.295,977 2.876,978 3.948,979 2.861,980 2.871,981 2.915,982 2.893,983 2.858,984 3.768,985 2.795,986 2.814,987 2.861,988 2.701,989 2.73,990 3.596,991 2.717,992 2.551,993 2.63,994 2.509,995 2.423,996 3.358,997 2.405,998 2.345,999 2.438,1000 2.374,1001 2.156,1002 3.148,1003 2.146,1004 0.234,1005 0.16,1006 0.331,1007 0.21,1008 0.158,1009 4.45,1010 0.23,1011 3.048,1013 6.293,1014 0.505,1015 3.99,1016 0.156,1017 3.003,1018 4.363,1020 9.593,1021 2.963,1022 2.058,1023 2.036,1024 2.131,1025 2.131,1026 1.246,1027 2.134,1028 1.857,1029 1.836,1030 1.943,1031 1.916,1032 1.058,1033 1.936,1034 1.41,1035 1.373,1036 1.563,1037 1.525,1038 0.632,1039 1.544,1040 0.984,1041 0.926,1042 1.209,1043 1.157,1044 0.244,1045 1.178,1046 0.873,1047 0.831,1048 1.1,1049 1.011,1050 0.187,1051 1.057,1052 0.827,1053 0.786,1054 0.999,1055 0.938,1056 0.144,1057 0.978,1058 0.573,1059 0.504,1060 0.897,1061 0.78,1063 0.826,1064 0.356,1065 0.265,1066 0.72,1067 0.603,1069 0.649,1070 3.664,1071 4.963,1073 6.479,1075 8.088,1077 9.741,1078 3.489,1092 19.681,1093 36.559,1094 64.633,1095 95.098,1096 123.627,1097 128.382,1098 128.382,1099 15.383,1100 6.439,1101 12.89,1102 12.89,1103 18,1104 11.959,1105 4.17,1106 3.248,1107 23.733,1108 44,1109 36,1110 0.274,1111 127.764,1112 207.44,1113 303.505,1114 4581,1115 3.7,1116 11.665,1117 0.686,1118 0.629,1119 12.665,1120 10.685,1121 8.326,1122 0.438,1123 0.328,1124 5.468,1125 7.687,1126 5.278,1127 4.382,1128 8.904,1129 6.229,1130 7.41,1131 0.285,1132 0.186,1133 8.226,1134 4.843,1135 6.224,1136 0.183,1137 0.095,1138 6.748,1139 3.242,1140 5.247,1141 0.119,1142 0.052,1143 5.754,1144 2.296,1145 4.413,1146 0.077,1147 0.028,1148 4.841,1149 1.597,1150 0.413,1151 58.785,1152 0.276,1153 16.956,1154 0.794,1155 90,1156 218.3,1157 157.592,1158 260.627,1159 355.11,1160 244,1161 105,1162 240.198,1163 135.262,1164 262.568,1165 380.82,1166 248,1167 5}
{0 CHEMBL399196,1 1.629,2 9.5,3 5.454,4 29.747,5 113.255,6 8.985,7 0.4,8 3.914,9 4.006,10 3.628,11 3.577,12 5.139,13 3.541,14 4.403,15 4.537,16 4.036,17 3.98,18 5.573,19 3.921,20 4.707,21 4.862,22 4.185,23 4.163,24 5.911,25 4.082,26 4.811,27 5.018,28 4.194,29 4.153,30 6.056,31 4.064,32 4.718,33 4.878,34 4.298,35 4.14,36 6.006,37 4.068,38 4.763,39 4.942,40 4.253,41 4.078,42 6.166,43 4.015,44 4.649,45 4.83,46 4.12,47 3.941,48 6.041,49 3.881,50 4.564,51 4.736,52 3.874,53 3.83,54 5.946,55 3.74,56 0.061,57 0.566,58 6.521,59 3.854,60 13.752,61 4.637,62 0.129,63 0.91,64 13.397,65 6.89,66 23.495,67 8.765,68 0.226,69 1.197,70 23.571,71 9.743,72 44.261,73 11.943,74 0.424,75 1.341,76 31.294,77 11.359,78 81.107,79 14.541,80 0.316,81 1.226,82 26.723,83 9.569,84 57.442,85 11.385,86 0.567,87 1.256,88 27.739,89 9.931,90 103.394,91 11.795,92 0.436,93 1.116,94 24.901,95 8.92,96 79.874,97 10.519,98 0.564,99 1.018,100 23.129,101 7.871,102 103.275,103 8.363,104 55,105 43,106 0.277,107 0.674,108 0.795,109 0.859,110 0.867,111 0.867,112 3.375,113 0.951,114 -5.19,115 -5.08,116 -4.76,118 47.8,119 2,120 1,121 1,128 1,129 2,130 1,131 6,132 3,133 3,140 2,143 13,145 2,146 1,147 5,148 21,150 2,152 4,153 20,154 1,155 5,156 1,157 1,158 5,159 17,161 3,163 5,164 16,166 7,167 1,169 6,170 10,172 7,174 7,175 13,177 3,178 1,179 2,180 12,182 4,185 2,186 13,187 1176,188 18.317,189 18.317,190 18.317,191 18.317,192 18.317,193 16.137,194 18.815,195 10.549,196 18.636,197 14.715,198 14.715,199 14.715,200 14.715,201 14.715,202 11.275,203 17.824,204 4.918,205 15.34,206 3.895,207 1.558,208 0.848,209 0.468,210 0.424,211 0.424,212 4.05,213 2,215 1,216 1,217 552,218 3.162,220 271.865,223 1.429,224 35.978,226 1,227 1,228 1,229 0.8,230 0.5,231 1,232 0.9,233 59.667,234 266,235 4.615,236 4.118,237 6.798,238 4.209,239 3.223,240 4.231,241 2.035,242 11.193,243 3.175,244 4.342,245 3.54,246 6.45,247 3.945,248 2.968,249 3.988,250 1.058,251 9.969,252 2.902,253 4.085,254 3.229,255 5.998,256 3.635,257 2.674,258 3.595,260 8.362,261 2.54,262 3.713,263 3.105,264 5.402,265 3.43,266 2.435,267 3.012,269 7.102,270 2.418,271 3.482,272 2.776,273 5.044,274 3.023,275 2.124,276 2.767,278 5.867,279 1.952,280 3.413,281 2.657,282 5.038,283 2.973,284 1.996,285 2.57,287 5.687,288 1.884,289 3.244,290 2.445,291 4.862,292 2.773,293 1.819,294 2.344,296 5.19,297 1.744,298 3.147,299 2.187,300 4.403,301 2.728,302 1.795,303 2.003,305 4.479,306 1.515,307 2.967,308 1.882,309 4.123,310 2.256,311 1.271,312 1.856,314 3.337,315 1.237,316 2.635,317 1.552,318 3.97,319 2.118,320 1.121,321 1.644,322 3.06,323 1.116,324 2.572,325 1.19,326 3.388,327 1.684,328 0.713,329 1.153,330 1.471,331 0.685,332 1.536,333 0.907,334 2.783,335 1.145,336 0.188,337 0.222,338 0.434,339 0.178,340 1.419,341 0.801,342 2.711,343 0.884,344 0.111,345 0.136,346 0.232,347 0.068,348 1.279,349 0.564,350 2.594,351 0.739,352 -0.258,353 -0.389,354 -0.483,355 -0.251,356 0.927,357 0.161,358 2.467,359 0.549,360 -0.428,361 -0.55,362 -1.161,363 -0.389,364 13.895,365 0.496,366 0.877,367 0.031,368 36.75,369 1.313,370 20,371 0.714,372 16.75,373 0.598,374 25.323,375 0.904,376 28.705,377 0.624,378 29.24,379 1.044,380 6.964,381 0.249,382 6.331,383 0.226,384 0.252,386 0.396,389 0.691,390 0.965,391 0.562,392 0.765,393 0.636,394 0.777,395 0.508,396 0.995,397 0.573,398 0.828,399 0.462,400 0.825,401 0.882,402 1.125,403 0.898,404 1.041,405 0.771,406 1.02,407 0.749,408 0.872,409 0.755,410 0.819,411 0.693,412 0.8,413 0.974,414 1.13,415 0.756,416 0.949,417 1.048,418 0.95,419 0.99,420 1.018,421 0.783,422 0.919,423 1.064,424 0.885,425 1.077,426 1.106,427 0.79,428 0.997,429 1.146,430 0.932,431 1.661,432 0.92,433 1.132,434 0.955,435 1.636,436 1.084,437 7,438 0.132,439 3.556,440 2.375,441 2.151,442 1.375,443 1.038,444 0.521,445 0.349,446 0.238,447 8136,448 26767,449 1.972,450 39.1,451 9,452 7,455 2,458 1.718,459 1.787,460 3.235,461 0.212,465 74.918,466 1.629,467 3.965,468 4.675,469 5.056,470 5.099,471 5.099,472 2.683,473 4.066,474 4.778,475 3.386,476 1280.08,477 8.352,478 16370.5,483 254.084,484 1.56,485 4.702,486 0.233,487 0.009,488 0.083,489 0.051,490 0.046,491 0.029,492 0.023,493 0.013,494 0.012,495 0.01,496 0.51,497 0.17,498 1,499 1.115,500 137.8,501 -0.072,502 0.075,503 -0.008,504 0.078,505 -0.056,506 0.057,507 0.097,508 0.005,509 0.096,510 0.071,511 0.087,512 0.085,513 -0.061,514 -0.15,515 -0.05,516 -0.1,517 -0.017,518 -0.078,519 0.115,520 0.108,521 0.139,522 0.161,523 0.15,524 0.208,525 -0.019,526 -0.124,527 0.11,528 -0.015,529 -0.068,530 -0.024,531 0.155,532 -0.008,533 0.12,534 0.031,535 0.134,536 0.058,537 0.082,538 -0.105,539 0.111,540 -0.045,541 0.094,542 0.014,543 -0.233,544 0.103,545 -0.194,546 -0.011,547 -0.203,548 -0.179,549 2.222,550 5.573,551 0.643,552 23.286,553 1.01,554 1.11,555 3.963,556 15.705,557 0.728,558 3.434,559 3.784,560 4.043,561 4.331,562 4.595,563 4.682,564 4.812,565 4.875,566 4.927,567 4.92,568 5.862,569 0.693,570 413.32,571 3.434,572 4.99,573 5.844,574 6.739,575 7.617,576 8.518,577 9.406,578 10.309,579 11.203,580 12.106,581 4.3,584 1,586 1,589 6,592 6,594 12,597 1,599 2,600 46,601 16,602 2,603 30,605 48,606 22,607 12,608 6,609 6,610 5,611 3,612 3,613 2,615 2,619 1,620 1,621 17,622 4,623 1,624 3,625 1,626 1,628 4,633 18,634 4,635 2,636 6,637 2,639 2,641 1,642 2,647 3,650 1,652 1,654 2,655 2,661 3,663 2,664 2,667 28,668 1,669 1,670 1,672 1,675 1,676 1,677 1,678 2,679 4.3,680 1,681 1,684 15.667,685 9.019,686 6.167,687 2.789,688 2.847,689 1.39,690 0.955,691 6.026,692 10.154,693 3.738,694 4.331,695 4.916,696 5.51,697 6.076,698 6.362,699 6.742,700 7.089,701 7.426,702 7.631,703 1,704 47,705 10.35,706 4.473,707 7.99,708 19.238,709 15.742,710 2.49,711 69.722,714 188.338,715 133.511,716 49.07,717 78.297,718 67.828,721 133.511,722 334.463,723 49.07,724 17.65,725 20.545,726 66.334,727 91.891,728 53.988,730 188.338,731 78.297,732 188.338,733 182.581,734 67.828,735 78.297,737 188.338,738 67.828,741 69.255,742 101.093,743 90.53,745 188.338,746 116.898,747 211.808,749 188.338,750 32.925,751 83.984,752 34.612,753 177.185,754 188.338,755 116.898,756 211.808,758 0.588,759 0.34,760 0.189,761 0.11,762 20,763 11,764 0.083,765 4,767 1,768 3.694,769 248.083,771 18,772 132.606,773 20.322,774 8.302,775 4.375,777 116.898,778 10.163,781 2.85,783 60.694,784 517.044,785 41,786 12.573,787 1.645,789 0.144,790 46.458,791 51.04,792 0.295,793 0.718,794 0.846,795 0.915,796 0.923,797 0.923,798 5.004,799 1.795,800 5.861,801 5.19,802 4.466,803 5.017,804 2.444,805 6.703,806 4.392,807 6.249,808 1.271,809 7.446,810 4.479,811 4.205,812 4.913,814 7.67,815 4.069,816 7.578,817 1.121,818 9.128,819 3.337,820 6.094,821 7.224,822 3.632,823 10.778,824 5.979,825 8.938,826 0.713,827 10.864,828 3.06,829 6.581,830 7.875,832 12.546,833 6.422,834 10.325,835 0.188,836 12.636,837 1.471,838 8.001,839 9.705,840 4.982,841 15.198,842 7.855,843 11.733,844 0.111,845 14.434,846 0.434,847 8.836,848 10.724,850 17.315,851 8.66,852 13.158,853 -0.258,854 16.251,855 0.232,856 10.077,857 12.342,858 6.383,859 19.801,860 9.903,861 3.223,862 -0.428,863 18.083,864 -0.483,865 11.076,866 13.551,868 22.073,869 10.881,870 2.968,871 11.193,872 19.926,873 -1.161,874 12.249,875 15.067,876 7.798,877 24.498,878 12.048,879 2.674,880 9.969,881 21.78,882 4.231,883 13.326,884 16.376,886 26.839,887 13.107,888 2.435,889 8.362,890 23.642,891 3.988,892 14.476,893 17.843,894 9.218,895 29.243,896 14.248,897 2.124,898 7.102,899 25.51,900 3.595,901 15.59,902 19.204,904 31.615,905 15.346,906 1.996,907 5.867,908 27.384,909 3.012,910 16.735,911 20.647,912 10.638,913 34.014,914 16.48,915 1.819,916 5.687,917 29.263,918 2.767,919 17.867,920 22.037,922 36.401,923 17.598,924 8178,925 15064,926 19.016,927 33.489,928 46.809,929 50.134,930 47.885,931 45.037,932 44.876,933 59.042,934 6.186,935 132.765,936 42.826,937 5.5,938 6.118,939 6.302,940 5.249,941 5.223,942 7.231,943 4.069,944 18.531,945 5.175,946 17.952,947 1.56,948 1.671,949 1.596,950 1.501,951 1.496,952 1.968,953 0.206,954 4.425,955 1.428,956 4.045,957 4.064,958 4.119,959 3.99,960 7.43,961 3.99,962 3.908,963 3.927,964 3.931,965 3.863,966 6.818,967 3.856,968 3.722,969 3.756,970 3.735,971 3.622,972 6.469,973 3.625,974 3.601,975 3.65,976 3.619,977 3.482,978 5.013,979 3.469,980 3.199,981 3.251,982 3.46,983 3.072,984 4.677,985 3.083,986 3.018,987 3.071,988 3.154,989 2.882,990 4.65,991 2.86,992 2.995,993 3.016,994 2.964,995 2.834,996 4.383,997 2.831,998 2.904,999 3.009,1000 2.884,1001 2.778,1002 4.165,1003 2.781,1004 0.154,1005 0.137,1006 0.227,1007 0.14,1008 0.107,1009 4.615,1010 0.141,1011 4.118,1012 0.068,1013 6.798,1014 0.373,1015 4.209,1016 0.106,1017 3.223,1018 4.231,1019 2.035,1020 11.193,1021 3.175,1022 1.995,1023 1.98,1024 2.082,1025 2.073,1026 1.316,1027 2.074,1028 1.902,1029 1.885,1030 1.984,1031 1.972,1032 1.166,1033 1.986,1034 1.695,1035 1.66,1036 1.879,1037 1.832,1038 1.031,1039 1.853,1040 1.595,1041 1.551,1042 1.712,1043 1.741,1044 0.796,1045 1.74,1046 1.152,1047 1.114,1048 1.417,1049 1.315,1050 0.487,1051 1.308,1052 0.989,1053 0.931,1054 1.323,1055 1.239,1056 0.469,1057 1.305,1058 0.934,1059 0.864,1060 1.233,1061 1.23,1062 0.291,1063 1.237,1064 0.899,1065 0.827,1066 1.115,1067 1.136,1068 0.144,1069 1.115,1070 4.111,1071 5.451,1073 6.986,1075 8.616,1077 10.299,1079 4.213,1080 12.38,1083 10.366,1084 0.834,1085 2.695,1087 0.443,1090 9.485,1091 1.932,1092 31.869,1093 74.918,1094 182.393,1095 215.064,1096 232.574,1097 234.574,1098 234.574,1099 72.154,1100 7.308,1101 76.88,1102 76.88,1103 18,1104 12.628,1105 4.087,1106 3.585,1107 49.273,1108 98,1109 102,1110 0.251,1111 205.667,1112 371.24,1113 493.588,1114 13090,1115 4.3,1116 20.422,1117 0.729,1118 0.603,1119 21.422,1120 16.896,1121 13.295,1122 0.443,1123 0.317,1124 8.756,1125 12.454,1126 8.384,1127 7.008,1128 13.872,1129 9.505,1130 12.454,1131 0.29,1132 0.182,1133 13.233,1134 7.83,1135 9.849,1136 0.176,1137 0.088,1138 10.469,1139 4.923,1140 8.401,1141 0.112,1142 0.047,1143 8.895,1144 3.521,1145 6.948,1146 0.071,1147 0.026,1148 7.728,1149 2.539,1150 0.382,1151 88.037,1152 0.229,1153 26.093,1154 0.73,1155 146,1156 436.27,1157 184.105,1158 494.18,1159 643.73,1160 454,1161 172,1162 418.054,1163 200.286,1164 450.372,1165 655.69,1166 422,1167 5.121}
{0 CHEMBL428195,1 1.865,2 14,3 4.795,4 22.987,5 148.919,6 9.13,7 0.279,8 4.281,9 4.382,10 3.994,11 3.841,12 5.502,13 3.84,14 4.848,15 5.004,16 4.455,17 4.257,18 6.361,19 4.24,20 5.104,21 5.276,22 4.536,23 4.441,24 6.363,25 4.395,26 5.232,27 5.43,28 4.576,29 4.451,30 6.577,31 4.403,32 5.196,33 5.389,34 4.662,35 4.449,36 6.505,37 4.413,38 5.211,39 5.383,40 4.796,41 4.425,42 6.768,43 4.422,44 5.143,45 5.304,46 4.616,47 4.379,48 6.606,49 4.362,50 5.173,51 5.372,52 4.58,53 4.328,54 6.839,55 4.277,56 0.25,57 1.12,58 8.815,59 5.892,60 46.12,61 6.45,62 1.102,63 2.155,64 22.061,65 10.137,66 167.624,67 11.634,68 0.84,69 2.105,70 33.639,71 14.129,72 114.583,73 16.572,74 1.449,75 2.294,76 44.069,77 16.062,78 225.658,79 18.432,80 1.176,81 2.186,82 44.264,83 15.534,84 178.643,85 18.419,86 1.734,87 2.074,88 48.209,89 14.578,90 254.736,91 15.781,92 1.258,93 2.216,94 39.189,95 14.165,96 199.331,97 14.899,98 1.843,99 2.19,100 43.946,101 14.385,102 331.731,103 17.385,104 105,105 63,106 0.295,107 0.665,108 0.82,109 0.866,110 0.866,111 0.866,112 3.718,113 0.919,114 -4.69,115 -4.61,116 -4.33,118 43.1,120 3,122 1,123 4,126 1,128 1,129 2,130 1,131 5,132 4,133 3,140 3,143 10,144 1,145 8,146 1,147 5,148 15,150 3,152 4,153 15,154 3,155 7,156 2,157 1,158 3,159 15,161 6,163 5,164 9,166 15,167 3,169 6,170 9,172 9,174 2,175 11,176 1,177 5,178 3,179 4,180 9,182 6,185 1,186 10,187 3350,188 25.927,189 25.927,190 25.927,191 25.927,192 25.927,193 23.655,194 33.639,195 14.758,196 26.683,197 21.091,198 21.091,199 21.091,200 21.091,201 21.091,202 17.344,203 38.86,204 6.897,205 22.464,206 4.157,207 1.817,208 0.84,209 0.546,210 0.546,211 0.546,212 4.4,213 2,216 1,217 1182,218 4.69,219 133.531,220 418.661,223 2.3,224 81.974,226 0.75,227 0.83,228 0.83,229 0.7,230 0.5,231 0.83,232 0.78,233 90.167,234 560,235 4.641,236 4.461,237 7.125,238 4.262,239 3.347,240 4.268,241 3.825,242 11.766,243 3.193,244 4.477,245 4.117,246 6.795,247 4.146,248 3.208,249 4.122,250 2.035,251 11.14,252 2.993,253 4.369,254 3.714,255 6.609,256 4.006,257 3.044,258 3.75,259 1.943,260 10.464,261 2.84,262 3.971,263 3.542,264 6.005,265 3.697,266 2.734,267 3.278,268 1.058,269 8.441,270 2.63,271 3.915,272 3.281,273 5.923,274 3.557,275 2.612,276 3.116,277 0.8,278 8.132,279 2.418,280 3.714,281 3.175,282 5.642,283 3.441,284 2.508,285 2.984,286 0.736,287 7.328,288 2.34,289 3.517,290 2.838,291 5.344,292 3.268,293 2.291,294 2.738,295 0.079,296 6.938,297 2.236,298 3.431,299 2.735,300 4.979,301 2.959,302 2.082,303 2.515,305 5.78,306 1.751,307 3.29,308 2.618,309 4.973,310 2.832,311 1.863,312 2.385,314 5.404,315 1.726,316 3.233,317 2.409,318 4.651,319 2.534,320 1.569,321 2.056,322 4.608,323 1.505,324 2.904,325 2.084,326 4.591,327 2.449,328 1.565,329 2.011,330 4.571,331 1.337,332 2.877,333 2.024,334 4.087,335 2.345,336 1.371,337 1.796,338 3.334,339 1.312,340 2.604,341 1.585,342 3.98,343 2.21,344 1.216,345 1.462,346 3.203,347 1.192,348 2.477,349 1.506,350 3.519,351 2.068,352 1.085,353 1.215,354 2.538,355 1.06,356 2.243,357 1.438,358 3.418,359 1.714,360 0.749,361 1.151,362 1.598,363 0.715,364 18.886,365 0.472,366 1.375,367 0.034,368 47.25,369 1.181,370 21.5,371 0.538,372 25.75,373 0.644,374 42.623,375 1.066,376 44.114,377 0.679,378 47.848,379 1.196,380 9.391,381 0.235,382 9.492,383 0.237,384 0.222,385 0.026,386 0.36,387 3,389 0.62,390 1.054,391 0.559,392 0.94,393 0.582,394 0.875,395 0.505,396 0.749,397 0.606,398 0.78,399 0.393,400 0.815,401 0.725,402 0.93,403 0.861,404 1.059,405 0.617,406 1.045,407 0.961,408 0.851,409 0.856,410 0.843,411 0.968,412 0.897,413 0.797,414 0.924,415 0.833,416 0.978,417 0.8,418 0.891,419 0.915,420 0.828,421 0.931,422 0.91,423 0.914,424 0.821,425 1.129,426 1.129,427 1.062,428 1.126,429 1.11,430 1.064,431 0.69,432 0.777,433 0.901,434 0.916,435 0.689,436 0.97,437 10.5,438 0.447,439 5.778,440 3.285,441 3.067,442 2.26,443 1.428,444 1.161,445 0.634,446 0.521,447 24264,448 87314,449 1.972,450 38.5,452 17,455 2,456 2,457 4,458 1.803,459 1.784,460 3.727,461 0.199,465 121.242,466 1.865,467 4.205,468 5.182,469 5.476,470 5.476,471 5.476,472 3.242,473 4.665,474 5.289,475 3.954,476 3083.78,477 9.358,478 52356.4,483 391.454,484 1.694,485 5.21,486 0.244,487 0.01,488 0.092,489 0.049,490 0.046,491 0.032,492 0.019,493 0.018,494 0.011,495 0.01,496 0.53,497 0.17,498 0.88,499 0.849,500 224.46,501 -0.053,502 -0.081,503 0.001,504 -0.001,505 -0.048,506 0.018,507 0.254,508 0.288,509 0.097,510 0.156,511 0.299,512 0.106,513 -0.054,514 -0.113,515 -0.026,516 -0.095,517 0.021,518 -0.058,519 -0.057,520 0.029,521 0.036,522 0.123,523 -0.056,524 0.098,525 0.001,526 -0.101,527 0.144,528 0.006,529 -0.021,530 0.123,531 0.069,532 0.003,533 0.153,534 0.057,535 0.069,536 0.129,537 -0.137,538 -0.189,539 -0.081,540 -0.149,541 -0.091,542 -0.119,543 0.279,544 0.117,545 0.099,546 0.049,547 0.306,548 0.015,549 5.936,550 5.846,551 0.575,552 49.525,553 1.032,554 1.137,555 3.462,556 11.985,557 0.689,558 3.784,559 4.159,560 4.407,561 4.644,562 4.883,563 5.03,564 5.136,565 5.257,566 5.347,567 5.429,568 8.292,569 0.675,570 593.47,571 3.784,572 5.361,573 6.217,574 7.114,575 7.991,576 8.891,577 9.778,578 10.68,579 11.572,580 12.476,581 6.2,583 1,584 2,586 1,589 5,592 7,594 12,597 1,599 2,600 65,601 17,602 2,603 43,605 68,606 28,607 12,608 7,609 5,610 5,611 4,612 4,613 2,615 1,616 2,618 1,619 3,620 1,621 18,622 9,624 4,625 2,626 1,628 5,631 3,633 25,634 10,635 2,636 12,637 2,639 4,641 1,642 3,645 1,646 1,647 3,650 1,652 1,653 1,654 2,655 2,657 1,661 4,663 1,664 2,665 3,667 40,668 1,669 7,670 1,673 2,674 1,675 1,676 1,677 1,678 5,679 4.6,680 1,681 2,684 22.417,685 12.098,686 8.639,687 3.894,688 2.967,689 1.361,690 0.963,691 9.168,692 11.192,693 4.025,694 4.595,695 5.139,696 5.678,697 6.231,698 6.574,699 6.947,700 7.319,701 7.67,702 7.947,703 1,704 67,705 15.568,706 7.47,707 8.324,708 27.153,709 22.501,710 2.824,711 112.972,714 270.735,715 143.922,716 55.319,717 78.297,718 92.973,719 44.88,721 143.922,722 442.006,723 100.199,724 8.396,725 37.161,726 56.857,727 121.741,728 105.179,730 270.735,731 86.057,732 270.735,733 199.241,734 137.854,735 78.297,737 223.651,738 184.938,741 79.105,742 107.903,743 90.53,745 315.616,746 148.292,747 222.22,749 278.495,750 54.307,751 71.502,752 34.612,753 247.21,754 270.735,755 193.172,756 222.22,758 0.598,759 0.348,760 0.176,761 0.096,762 29,763 16,764 0.103,765 7,767 1,768 4.654,769 405.59,771 23,772 204.122,773 29.957,774 12.242,775 6.84,777 193.172,778 5.437,781 -1.038,783 60.694,784 686.127,785 55,786 25.562,787 1.265,789 -1.612,790 67.061,791 73.926,792 0.31,793 0.698,794 0.86,795 0.909,796 0.909,797 0.909,798 5.323,799 2.082,800 6.26,801 6.938,802 4.844,803 5.283,804 3.678,805 7.127,806 4.729,807 6.563,808 1.863,809 7.87,810 5.78,811 4.691,812 5.255,813 3.994,814 8.26,815 4.438,816 7.901,817 1.569,818 9.584,819 5.404,820 6.538,821 7.455,822 5.642,823 11.306,824 6.32,825 9.271,826 1.565,827 11.358,828 4.608,829 7.148,830 8.181,831 6.717,832 13.211,833 6.805,834 10.668,835 1.371,836 13.17,837 4.571,838 8.537,839 9.932,840 8.121,841 15.842,842 8.203,843 12.086,844 1.216,845 15.008,846 3.334,847 9.465,848 11.003,849 9.396,850 18.054,851 9.031,852 13.521,853 1.085,854 16.865,855 3.203,856 10.701,857 12.577,858 10.752,859 20.55,860 10.249,861 3.347,862 0.749,863 18.737,864 2.538,865 11.765,866 13.82,867 12.076,868 22.89,869 11.234,870 3.208,871 11.766,872 20.62,873 1.598,874 12.951,875 15.315,876 13.421,877 25.343,878 12.385,879 3.044,880 11.14,881 22.513,882 4.268,883 14.076,884 16.646,885 14.758,886 27.737,887 13.443,888 2.734,889 10.464,890 24.414,891 4.122,892 15.249,893 18.106,894 16.101,895 30.176,896 14.573,897 2.612,898 8.441,899 26.322,900 3.75,901 16.401,902 19.484,903 17.441,904 32.594,905 15.667,906 2.508,907 8.132,908 28.235,909 3.278,910 17.574,911 20.928,912 18.783,913 35.032,914 16.792,915 2.291,916 7.328,917 30.152,918 3.116,919 18.741,920 22.332,921 20.124,922 37.462,923 17.906,924 23576,925 45252,926 27.164,927 44.813,928 67.057,929 69.494,930 67.852,931 65.59,932 64.994,933 80.386,934 20.953,935 196.174,936 60.863,937 5.62,938 6.461,939 6.755,940 5.306,941 5.347,942 7.268,943 5.86,944 19.167,945 5.193,946 27.149,947 1.559,948 1.616,949 1.578,950 1.525,951 1.511,952 1.869,953 0.487,954 4.562,955 1.415,956 4.058,957 4.077,958 4.103,959 3.996,960 8.513,961 3.999,962 3.926,963 3.952,964 4.01,965 3.867,966 7.999,967 3.865,968 3.865,969 3.922,970 3.757,971 3.698,972 7.999,973 3.699,974 3.738,975 3.772,976 3.748,977 3.617,978 7.431,979 3.63,980 3.627,981 3.669,982 3.577,983 3.44,984 7.426,985 3.454,986 3.321,987 3.393,988 3.549,989 3.15,990 6.818,991 3.148,992 3.305,993 3.347,994 3.385,995 3.054,996 6.468,997 3.09,998 3.19,999 3.242,1000 3.184,1001 3.044,1002 4.929,1003 3.051,1004 0.108,1005 0.104,1006 0.166,1007 0.099,1008 0.078,1009 4.641,1010 0.099,1011 4.461,1012 0.089,1013 7.125,1014 0.274,1015 4.262,1016 0.074,1017 3.347,1018 4.268,1019 3.825,1020 11.766,1021 3.193,1022 1.995,1023 1.982,1024 2.043,1025 2.073,1026 1.235,1027 2.067,1028 1.899,1029 1.885,1030 1.967,1031 1.989,1032 1.211,1033 1.986,1034 1.697,1035 1.66,1036 1.879,1037 1.899,1038 1.185,1039 1.895,1040 1.647,1041 1.604,1042 1.86,1043 1.808,1044 1.137,1045 1.793,1046 1.577,1047 1.507,1048 1.755,1049 1.751,1050 0.908,1051 1.792,1052 1.439,1053 1.363,1054 1.662,1055 1.688,1056 0.828,1057 1.683,1058 1.201,1059 1.142,1060 1.518,1061 1.427,1062 0.72,1063 1.461,1064 1.129,1065 1.07,1066 1.341,1067 1.403,1068 0.496,1069 1.315,1070 4.466,1071 5.826,1072 2.398,1073 7.366,1074 4.443,1075 8.992,1076 6.26,1077 10.666,1079 1.601,1080 12.518,1081 40.191,1083 11.117,1084 5.131,1085 2.492,1088 3.677,1089 -4.686,1090 9.603,1091 1.715,1092 43.883,1093 121.242,1094 273.338,1095 336.825,1096 355.944,1097 355.944,1098 355.944,1099 153.139,1100 8.226,1101 100.43,1102 100.43,1103 23,1104 12.998,1105 4.17,1106 3.7,1107 73.087,1108 196,1109 226,1110 0.179,1111 274.08,1112 509.04,1113 660.515,1114 46416,1115 7.7,1116 29.19,1117 0.73,1118 0.573,1119 27.69,1120 22.921,1121 18.883,1122 0.439,1123 0.306,1124 12.265,1125 17.471,1126 11.966,1127 9.798,1128 18.249,1129 13.169,1130 18.24,1131 0.29,1132 0.166,1133 17.061,1134 10.458,1135 14.589,1136 0.18,1137 0.091,1138 14.221,1139 7.394,1140 11.563,1141 0.112,1142 0.05,1143 11.559,1144 5.172,1145 9.103,1146 0.069,1147 0.025,1148 9.508,1149 3.335,1150 0.281,1151 125.666,1152 0.192,1153 35.745,1154 0.49,1155 212,1156 855.629,1157 273.499,1158 806.28,1159 1025.82,1160 740,1161 250,1162 662.268,1163 296.084,1164 674.216,1165 1004.55,1166 630,1167 6.357}
{0 CHEMBL441913,1 1.497,2 7.818,3 2.475,4 6.125,5 84.853,6 8.48,7 0.5,8 3.635,9 3.723,10 3.304,11 3.296,12 4.946,13 3.286,14 4.057,15 4.161,16 3.642,17 3.661,18 5.322,19 3.632,20 4.344,21 4.497,22 3.757,23 3.787,24 5.615,25 3.75,26 4.366,27 4.531,28 3.736,29 3.735,30 5.787,31 3.697,32 4.356,33 4.532,34 3.666,35 3.693,36 5.689,37 3.658,38 4.295,39 4.471,40 3.598,41 3.589,42 5.764,43 3.558,44 4.112,45 4.285,46 3.338,47 3.391,48 5.541,49 3.349,50 3.912,51 4.106,52 2.958,53 3.143,54 5.355,55 3.053,56 0.047,57 0.419,58 4.919,59 2.721,60 10.572,61 2.976,62 0.075,63 0.642,64 7.746,65 4.396,66 11.054,67 5.162,68 0.123,69 0.866,70 13.064,71 6.205,72 32.329,73 7.305,74 0.245,75 0.912,76 14.027,77 6.255,78 51.612,79 7.496,80 0.212,81 0.904,82 14.686,83 6.101,84 45.981,85 6.937,86 0.291,87 0.843,88 14.111,89 5.735,90 63.522,91 6.537,92 0.199,93 0.696,94 11.633,95 4.745,96 47.837,97 5.112,98 0.202,99 0.571,100 9.874,101 4.041,102 49.736,103 4.647,104 11,105 33,106 0.269,107 0.578,108 0.678,109 0.793,110 0.859,111 0.874,112 3.148,113 0.84,114 -3.87,115 -3.82,116 -3.63,118 52.9,128 1,129 2,130 1,131 9,132 2,133 1,140 2,143 13,145 2,146 1,147 5,148 16,150 2,152 4,153 13,154 1,155 5,156 1,157 1,158 5,159 10,161 5,163 4,164 9,166 7,167 1,169 4,170 9,172 4,174 3,175 9,177 2,178 1,179 2,180 7,182 1,185 1,186 4,187 588,188 15.06,189 15.06,190 15.06,191 15.06,192 15.06,193 12.931,194 11.974,195 8.959,196 15.132,197 11.781,198 11.781,199 11.781,200 11.781,201 11.781,202 8.537,203 15.071,204 4.143,205 11.906,206 3.591,207 1.875,208 1.32,209 0.68,210 0.316,211 0.235,212 3.828,214 1,215 1,216 1,217 366,218 2.121,220 204.334,223 1.124,224 25.118,225 1,226 1,227 1,228 1,229 0.4,231 1,232 0.77,233 47,234 172,235 4.576,236 4.117,237 6.712,238 4.173,239 3.18,240 4.15,241 2.035,242 10.895,243 3.157,244 4.266,245 3.534,246 6.399,247 3.863,248 2.878,249 3.86,250 1.058,251 9.747,252 2.831,253 3.834,254 3.05,255 5.663,256 3.435,257 2.432,258 3.273,260 7.389,261 2.436,262 3.502,263 2.81,264 5.07,265 2.963,266 1.995,267 2.708,269 5.771,270 1.928,271 3.252,272 2.228,273 4.556,274 2.747,275 1.742,276 2.369,278 4.478,279 1.744,280 3.148,281 2.011,282 4,283 2.392,284 1.414,285 2.019,287 3.218,288 1.377,289 2.862,290 1.525,291 3.639,292 2.275,293 1.281,294 1.88,296 2.927,297 1.267,298 2.651,299 1.438,300 3.571,301 2.125,302 1.127,303 1.651,305 2.75,306 1.124,307 2.576,308 1.18,309 3.254,310 2,311 1,312 1.5,314 2.136,315 1,316 2.5,317 1,318 3.247,319 1.662,320 0.69,321 1.127,322 1.376,323 0.667,324 1.44,325 0.859,326 2.682,327 0.816,328 -0.131,329 -0.173,330 -0.253,331 -0.122,332 1.083,333 0.276,334 2.531,335 0.674,336 -0.331,337 -0.513,338 -0.659,339 -0.326,340 0.988,341 -0.011,342 2.248,343 0.539,344 -0.435,345 -0.579,346 -1.112,347 -0.424,348 0.646,349 -0.606,350 2,351 0.223,352 -0.767,353 -1.025,354 -1.827,355 -0.759,356 0.54,357 -0.77,358 1.862,359 0.039,360 -0.953,361 -1.381,362 -2.299,363 -0.947,364 10.467,365 0.476,366 0.469,367 0.021,368 33.25,369 1.511,370 20,371 0.909,372 13.25,373 0.602,374 12.779,375 0.581,376 21.333,377 0.627,378 24.154,379 1.098,380 6.821,381 0.31,382 3.882,383 0.176,384 0.102,386 0.334,389 0.786,390 0.86,391 0.707,392 0.764,393 0.649,394 0.728,395 0.514,396 1.041,397 0.786,398 1.029,399 0.522,400 0.976,401 0.897,402 1.074,403 0.875,404 1.031,405 0.793,406 0.969,407 0.836,408 1.044,409 0.91,410 1.046,411 0.79,412 1.009,413 1.241,414 0.997,415 1.007,416 0.935,417 1.203,418 0.925,419 1.191,420 0.996,421 1.002,422 0.96,423 1.259,424 0.942,425 1.541,426 1.05,427 1.214,428 1.037,429 1.609,430 1.06,431 1.254,432 1.055,433 1.362,434 1.157,435 1.284,436 1.257,437 3.5,439 2.667,440 1.688,441 1.218,442 1.007,443 0.549,444 0.231,445 0.086,446 0.054,447 4386,448 13613,449 2.07,450 35.3,452 10,455 2,458 1.653,459 1.941,460 2.976,461 0.259,462 1,463 1,465 50.896,466 1.497,467 3.213,468 3.767,469 4.407,470 4.771,471 4.852,472 2.392,473 3.573,474 4.432,475 3.075,476 710.357,477 7.655,478 7639.77,479 1,480 1,482 1,483 172.974,484 1.395,485 4.392,486 0.146,488 0.081,489 0.047,490 0.036,491 0.031,492 0.019,493 0.01,494 0.006,495 0.009,496 0.385,497 0.67,498 1,499 0.797,500 98.754,501 -0.104,502 0.099,503 -0.011,504 0.117,505 -0.073,506 0.081,507 0.1,508 -0.108,509 -0.054,510 -0.128,511 0.008,512 -0.125,513 -0.041,514 -0.133,515 0.02,516 -0.078,517 -0.014,518 -0.031,519 0.15,520 -0.063,521 0.034,522 -0.095,523 0.144,524 -0.068,525 -0.155,526 0.003,527 -0.027,528 0.023,529 -0.131,530 0.025,531 0.032,532 0.001,533 0.009,534 0.004,535 0.031,536 0.01,537 -0.25,538 -0.059,539 -0.205,540 -0.076,541 -0.204,542 -0.119,543 -0.101,544 -0.077,545 -0.322,546 -0.172,547 -0.063,548 -0.266,549 2.137,550 5.19,551 0.818,552 14.793,553 1.008,554 1.103,555 2.635,556 6.945,557 0.727,558 3.219,559 3.526,560 3.829,561 4.094,562 4.317,563 4.357,564 4.477,565 4.511,566 4.443,567 4.344,568 4.847,569 0.709,570 288.32,571 3.219,572 4.745,573 5.602,574 6.482,575 7.358,576 8.247,577 9.131,578 10.023,579 10.91,580 11.805,581 5.9,584 1,586 1,589 9,592 3,594 12,597 1,600 34,601 16,602 2,603 24,605 36,606 18,607 12,608 3,609 9,610 5,611 3,612 3,620 1,621 17,624 3,625 1,626 1,628 4,629 1,630 1,633 12,634 4,635 2,636 4,639 2,641 1,642 2,647 3,650 1,652 1,654 2,655 2,661 3,667 22,668 1,670 1,675 1,676 1,677 1,679 5.9,680 1,681 1,684 11.333,685 6.15,686 4.972,687 1.919,688 2.733,689 1.405,690 0.981,691 3.676,692 9.485,693 3.584,694 4.143,695 4.758,696 5.335,697 5.861,698 6.082,699 6.498,700 6.85,701 7.089,702 7.24,703 1,704 36,705 8.095,706 3.498,707 8.03,708 14.953,709 12.123,710 2.53,711 55.667,714 117.711,715 131.568,716 49.07,718 67.828,721 131.568,722 185.539,723 49.07,725 18.011,726 94.762,727 91.891,728 43.802,730 117.711,732 117.711,733 180.638,734 67.828,737 117.711,738 67.828,741 49.07,742 119.335,743 12.233,745 117.711,746 116.898,747 131.568,749 117.711,750 20.204,751 94.762,752 34.612,753 98.888,754 117.711,755 116.898,756 131.568,758 0.572,759 0.351,760 0.199,761 0.107,762 16,763 7,764 0.056,765 2,767 1,768 3.324,769 176.419,771 18,772 94.107,773 13.972,774 5.788,775 2.626,777 116.898,778 15.97,781 1.366,783 60.694,784 366.177,785 35,786 12.19,787 1.713,789 0.61,790 34.276,791 37.491,792 0.294,793 0.631,794 0.74,795 0.866,796 0.938,797 0.954,798 4.812,799 1.127,800 5.58,801 2.927,802 4.205,803 4.828,804 2.444,805 6.409,806 4.183,807 6.037,808 1,809 7.149,810 2.75,811 3.761,812 4.494,814 7.368,815 3.73,816 7.349,817 0.69,818 8.826,819 2.136,820 5.802,821 7.009,822 3.632,823 10.501,824 5.762,825 8.698,826 -0.131,827 10.567,828 1.376,829 6.217,830 7.518,832 12.3,833 6.167,834 10.079,835 -0.331,836 12.349,837 -0.253,838 7.711,839 9.465,840 4.982,841 14.94,842 7.654,843 11.484,844 -0.435,845 14.158,846 -0.659,847 8.52,848 10.393,850 17.067,851 8.454,852 12.909,853 -0.767,854 15.986,855 -1.112,856 9.793,857 12.073,858 6.383,859 19.536,860 9.719,861 3.18,862 -0.953,863 17.827,864 -1.827,865 10.782,866 13.22,868 21.799,869 10.7,870 2.878,871 10.895,872 19.678,873 -2.299,874 11.968,875 14.766,876 7.798,877 24.205,878 11.878,879 2.432,880 9.747,881 21.537,882 4.15,883 13.038,884 16.031,886 26.527,887 12.94,888 1.995,889 7.389,890 23.401,891 3.86,892 14.191,893 17.508,894 9.218,895 28.91,896 14.085,897 1.742,898 5.771,899 25.27,900 3.273,901 15.299,902 18.837,904 31.259,905 15.185,906 1.414,907 4.478,908 27.143,909 2.708,910 16.441,911 20.28,912 10.638,913 33.635,914 16.321,915 1.281,916 3.218,917 29.019,918 2.369,919 17.567,920 21.644,922 35.998,923 17.439,924 4327,925 7719,926 16.008,927 24.727,928 37.168,929 39.428,930 37.219,931 35.523,932 35.476,933 49.076,934 6.186,935 101.377,936 35.064,937 5.456,938 6.117,939 6.514,940 5.213,941 5.18,942 7.15,943 4.069,944 18.052,945 5.157,946 9.702,947 1.549,948 1.643,949 1.551,950 1.48,951 1.478,952 2.045,953 0.258,954 4.224,955 1.461,956 4.028,957 4.049,958 3.991,959 3.966,960 7.43,961 3.968,962 3.872,963 3.897,964 3.812,965 3.816,966 6.818,967 3.811,968 3.683,969 3.712,970 3.631,971 3.577,972 6.469,973 3.586,974 3.198,975 3.249,976 3.16,977 3.071,978 4.787,979 3.084,980 2.993,981 3.018,982 2.941,983 2.792,984 4.655,985 2.809,986 2.94,987 2.974,988 2.827,989 2.746,990 4.355,991 2.751,992 2.854,993 2.925,994 2.766,995 2.735,996 3.76,997 2.715,998 2.848,999 2.897,1000 2.687,1001 2.647,1002 3.674,1003 2.693,1004 0.191,1005 0.172,1006 0.28,1007 0.174,1008 0.132,1009 4.576,1010 0.173,1011 4.117,1012 0.085,1013 6.712,1014 0.454,1015 4.173,1016 0.132,1017 3.18,1018 4.15,1019 2.035,1020 10.895,1021 3.157,1022 1.987,1023 1.969,1024 2.069,1025 2.068,1026 1.184,1027 2.067,1028 1.875,1029 1.852,1030 1.987,1031 1.955,1032 1.065,1033 1.967,1034 1.646,1035 1.619,1036 1.741,1037 1.782,1038 0.795,1039 1.771,1040 1.146,1041 1.109,1042 1.241,1043 1.307,1044 0.306,1045 1.285,1046 0.9,1047 0.863,1048 1.181,1049 1.151,1050 0.218,1051 1.132,1052 0.886,1053 0.84,1054 1.14,1055 1.136,1056 0.16,1057 1.116,1058 0.883,1059 0.821,1060 1.09,1061 1.062,1062 0.077,1063 1.107,1064 0.767,1065 0.725,1066 0.933,1067 0.996,1069 0.996,1070 3.892,1071 5.198,1073 6.727,1075 8.355,1077 10.032,1083 9.956,1085 2.656,1090 9.257,1091 1.949,1092 24.106,1093 50.896,1094 109.225,1095 128.08,1096 149.854,1097 162.219,1098 164.974,1099 41.109,1100 6.752,1101 76.88,1102 76.88,1103 18,1104 12.332,1105 4.087,1106 3.585,1107 34.129,1108 64,1109 58,1110 0.271,1111 150.632,1112 271.62,1113 359.302,1114 6422,1116 15.527,1117 0.706,1118 0.526,1119 15.527,1120 11.576,1121 10.703,1122 0.446,1123 0.28,1124 6.663,1125 10.463,1126 6.524,1127 5.428,1128 10.703,1129 6.717,1130 9.268,1131 0.281,1132 0.145,1133 9.268,1134 4.796,1135 8.04,1136 0.179,1137 0.076,1138 8.04,1139 3.424,1140 6.899,1141 0.117,1142 0.04,1143 6.899,1144 2.363,1145 5.411,1146 0.073,1147 0.021,1148 5.411,1149 1.584,1150 0.405,1151 66.133,1152 0.25,1153 21.149,1154 0.807,1155 114,1156 345.863,1157 121.066,1158 346.114,1159 466.6,1160 320,1161 135,1162 337.329,1163 141.818,1164 347.295,1165 503.64,1166 327,1167 4.125}