"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.091","Br.094","C.","C.001","C.002","C.003","C.004","C.005","C.006","C.008","C.011","C.013","C.016","C.018","C.019","C.024","C.025","C.026","C.027","C.028","C.029","C.031","C.032","C.033","C.034","C.035","C.038","C.040","C.041","C.042","C.043","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AN","CATS2D_01_DA","CATS2D_01_DN","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_LL","CATS2D_02_PL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DN","CATS2D_03_DP","CATS2D_03_LL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DN","CATS2D_04_LL","CATS2D_04_PL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DP","CATS2D_05_LL","CATS2D_05_PL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DN","CATS2D_06_DP","CATS2D_06_LL","CATS2D_06_PL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_DN","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AN","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_LL","CATS2D_08_PL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DN","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","CATS2D_09_PP","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","CMC.50","CMC.80","cRo5","CSI","DBI","D.Dtr04","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr09","D.Dtr10","D.Dtr12","DECC","DELS","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.dm.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.dm.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.dm.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.dm.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.dm.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.dm.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.dm.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.dm.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.dm.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_x","Eta_sh_y","F.083","F.084","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.048","H.049","H.050","H.051","H.052","H.053","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","I.099","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Infective.80","Inflammat.80","ISIZ","IVDE","IVDM","JGI1","JGI10","JGI2","JGI3","JGI4","JGI5","JGI6","JGI7","JGI8","JGI9","JGT","LLS_01","LLS_02","LOC","LPRS","MATS1e","MATS1i","MATS1m","MATS1p","MATS1s","MATS1v","MATS2e","MATS2i","MATS2m","MATS2p","MATS2s","MATS2v","MATS3e","MATS3i","MATS3m","MATS3p","MATS3s","MATS3v","MATS4e","MATS4i","MATS4m","MATS4p","MATS4s","MATS4v","MATS5e","MATS5i","MATS5m","MATS5p","MATS5s","MATS5v","MATS6e","MATS6i","MATS6m","MATS6p","MATS6s","MATS6v","MATS7e","MATS7i","MATS7m","MATS7p","MATS7s","MATS7v","MATS8e","MATS8i","MATS8m","MATS8p","MATS8s","MATS8v","MAXDN","MAXDP","MCD","MDDD","Me","Mi","MLOGP","MLOGP2","Mp","MPC01","MPC02","MPC03","MPC04","MPC05","MPC06","MPC07","MPC08","MPC09","MPC10","MSD","Mv","MW","MWC01","MWC02","MWC03","MWC04","MWC05","MWC06","MWC07","MWC08","MWC09","MWC10","N.","N.066","N.067","N.068","N.069","N.071","N.072","N.073","N.074","N.075","N.076","NaaaC","NaaCH","NaaN","NaaNH","NaaO","NaaS","NaasC","NaasN","nAB","nArCONHR","nArCONR2","nArNCS","nArNH2","nArNO2","nArNR2","nArOR","nArX","nAT","nAzetidines","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCH2RX","nCIC","nCIR","nCL","nC..N.N2","nCONN","nCp","nCq","nCrq","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nDB","NddC","NddsN","NddssS","NdO","NdS","NdsCH","NdsN","NdssC","NdssS","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nI","nImidazoles","nN","NNRS","nO","nOHp","nOHs","nOHt","nPyrazoles","nPyridines","nPyrimidines","nPyrroles","nPyrrolidines","nR04","nR05","nR06","nR07","nR09","nR10","nR12","nRCN","nRCNO","nRCO","nRCONH2","nRCONHR","nRCONR2","nRCOOH","nRCOOR","nR.Cs","nRNH2","nRNHR","nRNR2","nROCON","nROH","nROR","NRS","nRSR","nS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsNH2","nSO","nSO2N","NsOH","NssCH2","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","nTB","nThiophenes","NtN","NtsC","nX","O.","O.056","O.057","O.058","O.059","O.060","O.061","ON0","ON0V","ON1","ON1V","PCD","PCR","PDI","PHI","piID","piPC01","piPC02","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","PJI2","Pol","Psi_e_0","Psi_e_1","Psi_e_A","Psi_i_0","Psi_i_1","Psi_i_A","Psi_i_s","Psychotic.50","Psychotic.80","P_VSA_e_1","P_VSA_e_2","P_VSA_e_3","P_VSA_e_4","P_VSA_e_5","P_VSA_e_6","P_VSA_i_1","P_VSA_i_2","P_VSA_i_3","P_VSA_i_4","P_VSA_LogP_1","P_VSA_LogP_2","P_VSA_LogP_3","P_VSA_LogP_4","P_VSA_LogP_5","P_VSA_LogP_6","P_VSA_LogP_7","P_VSA_LogP_8","P_VSA_m_1","P_VSA_m_2","P_VSA_m_3","P_VSA_m_4","P_VSA_m_5","P_VSA_MR_1","P_VSA_MR_2","P_VSA_MR_3","P_VSA_MR_5","P_VSA_MR_6","P_VSA_MR_7","P_VSA_MR_8","P_VSA_p_1","P_VSA_p_2","P_VSA_p_3","P_VSA_p_4","P_VSA_s_1","P_VSA_s_2","P_VSA_s_3","P_VSA_s_4","P_VSA_s_5","P_VSA_s_6","P_VSA_v_1","P_VSA_v_2","P_VSA_v_3","P_VSA_v_4","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","Rbrid","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S.107","S.108","S.109","S.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaNH","SaaO","SaaS","SaasC","SaasN","SAdon","SAtot","SCBO","SddC","SddsN","SddssS","SdO","SdS","SdsCH","SdsN","SdssC","SdssS","Se","Si","SIC0","SIC1","SIC2","SIC3","SIC4","SIC5","SM02_AEA.bo.","SM02_AEA.dm.","SM02_AEA.ed.","SM02_AEA.ri.","SM02_EA","SM02_EA.bo.","SM02_EA.dm.","SM02_EA.ed.","SM02_EA.ri.","SM03_AEA.bo.","SM03_AEA.dm.","SM03_AEA.ed.","SM03_AEA.ri.","SM03_EA","SM03_EA.bo.","SM03_EA.dm.","SM03_EA.ed.","SM03_EA.ri.","SM04_AEA.bo.","SM04_AEA.dm.","SM04_AEA.ed.","SM04_AEA.ri.","SM04_EA","SM04_EA.bo.","SM04_EA.dm.","SM04_EA.ed.","SM04_EA.ri.","SM05_AEA.bo.","SM05_AEA.dm.","SM05_AEA.ed.","SM05_AEA.ri.","SM05_EA","SM05_EA.bo.","SM05_EA.dm.","SM05_EA.ed.","SM05_EA.ri.","SM06_AEA.bo.","SM06_AEA.dm.","SM06_AEA.ed.","SM06_AEA.ri.","SM06_EA","SM06_EA.bo.","SM06_EA.dm.","SM06_EA.ed.","SM06_EA.ri.","SM07_AEA.bo.","SM07_AEA.dm.","SM07_AEA.ed.","SM07_AEA.ri.","SM07_EA","SM07_EA.bo.","SM07_EA.dm.","SM07_EA.ed.","SM07_EA.ri.","SM08_AEA.bo.","SM08_AEA.dm.","SM08_AEA.ed.","SM08_AEA.ri.","SM08_EA","SM08_EA.bo.","SM08_EA.dm.","SM08_EA.ed.","SM08_EA.ri.","SM09_AEA.bo.","SM09_AEA.dm.","SM09_AEA.ed.","SM09_AEA.ri.","SM09_EA","SM09_EA.bo.","SM09_EA.dm.","SM09_EA.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_AEA.ri.","SM10_EA","SM10_EA.bo.","SM10_EA.dm.","SM10_EA.ed.","SM10_EA.ri.","SM11_AEA.bo.","SM11_AEA.dm.","SM11_AEA.ed.","SM11_AEA.ri.","SM11_EA","SM11_EA.bo.","SM11_EA.dm.","SM11_EA.ed.","SM11_EA.ri.","SM12_AEA.bo.","SM12_AEA.dm.","SM12_AEA.ed.","SM12_AEA.ri.","SM12_EA","SM12_EA.bo.","SM12_EA.dm.","SM12_EA.ed.","SM12_EA.ri.","SM13_AEA.bo.","SM13_AEA.dm.","SM13_AEA.ed.","SM13_AEA.ri.","SM13_EA","SM13_EA.bo.","SM13_EA.dm.","SM13_EA.ed.","SM13_EA.ri.","SM14_AEA.bo.","SM14_AEA.dm.","SM14_AEA.ed.","SM14_AEA.ri.","SM14_EA","SM14_EA.bo.","SM14_EA.dm.","SM14_EA.ed.","SM14_EA.ri.","SM15_AEA.bo.","SM15_AEA.dm.","SM15_AEA.ed.","SM15_AEA.ri.","SM15_EA","SM15_EA.bo.","SM15_EA.dm.","SM15_EA.ed.","SM15_EA.ri.","SMTI","SMTIV","SNar","Sp","SpAD_AEA.bo.","SpAD_AEA.dm.","SpAD_AEA.ed.","SpAD_AEA.ri.","SpAD_EA","SpAD_EA.bo.","SpAD_EA.dm.","SpAD_EA.ed.","SpAD_EA.ri.","SpDiam_AEA.bo.","SpDiam_AEA.dm.","SpDiam_AEA.ed.","SpDiam_AEA.ri.","SpDiam_EA","SpDiam_EA.bo.","SpDiam_EA.dm.","SpDiam_EA.ed.","SpDiam_EA.ri.","SPI","SpMAD_AEA.bo.","SpMAD_AEA.dm.","SpMAD_AEA.ed.","SpMAD_AEA.ri.","SpMAD_EA","SpMAD_EA.bo.","SpMAD_EA.dm.","SpMAD_EA.ed.","SpMAD_EA.ri.","SpMax1_Bh.e.","SpMax1_Bh.i.","SpMax1_Bh.m.","SpMax1_Bh.p.","SpMax1_Bh.s.","SpMax1_Bh.v.","SpMax2_Bh.e.","SpMax2_Bh.i.","SpMax2_Bh.m.","SpMax2_Bh.p.","SpMax2_Bh.s.","SpMax2_Bh.v.","SpMax3_Bh.e.","SpMax3_Bh.i.","SpMax3_Bh.m.","SpMax3_Bh.p.","SpMax3_Bh.s.","SpMax3_Bh.v.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax4_Bh.m.","SpMax4_Bh.p.","SpMax4_Bh.s.","SpMax4_Bh.v.","SpMax5_Bh.e.","SpMax5_Bh.i.","SpMax5_Bh.m.","SpMax5_Bh.p.","SpMax5_Bh.s.","SpMax5_Bh.v.","SpMax6_Bh.e.","SpMax6_Bh.i.","SpMax6_Bh.m.","SpMax6_Bh.p.","SpMax6_Bh.s.","SpMax6_Bh.v.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMax7_Bh.m.","SpMax7_Bh.p.","SpMax7_Bh.s.","SpMax7_Bh.v.","SpMax8_Bh.e.","SpMax8_Bh.i.","SpMax8_Bh.m.","SpMax8_Bh.p.","SpMax8_Bh.s.","SpMax8_Bh.v.","SpMaxA_AEA.bo.","SpMaxA_AEA.dm.","SpMaxA_AEA.ed.","SpMaxA_AEA.ri.","SpMaxA_EA","SpMax_AEA.bo.","SpMaxA_EA.bo.","SpMax_AEA.dm.","SpMaxA_EA.dm.","SpMax_AEA.ed.","SpMaxA_EA.ed.","SpMax_AEA.ri.","SpMaxA_EA.ri.","SpMax_EA","SpMax_EA.bo.","SpMax_EA.dm.","SpMax_EA.ed.","SpMax_EA.ri.","SpMin1_Bh.e.","SpMin1_Bh.i.","SpMin1_Bh.m.","SpMin1_Bh.p.","SpMin1_Bh.s.","SpMin1_Bh.v.","SpMin2_Bh.e.","SpMin2_Bh.i.","SpMin2_Bh.m.","SpMin2_Bh.p.","SpMin2_Bh.s.","SpMin2_Bh.v.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.m.","SpMin3_Bh.p.","SpMin3_Bh.s.","SpMin3_Bh.v.","SpMin4_Bh.e.","SpMin4_Bh.i.","SpMin4_Bh.m.","SpMin4_Bh.p.","SpMin4_Bh.s.","SpMin4_Bh.v.","SpMin5_Bh.e.","SpMin5_Bh.i.","SpMin5_Bh.m.","SpMin5_Bh.p.","SpMin5_Bh.s.","SpMin5_Bh.v.","SpMin6_Bh.e.","SpMin6_Bh.i.","SpMin6_Bh.m.","SpMin6_Bh.p.","SpMin6_Bh.s.","SpMin6_Bh.v.","SpMin7_Bh.e.","SpMin7_Bh.i.","SpMin7_Bh.m.","SpMin7_Bh.p.","SpMin7_Bh.s.","SpMin7_Bh.v.","SpMin8_Bh.e.","SpMin8_Bh.i.","SpMin8_Bh.m.","SpMin8_Bh.p.","SpMin8_Bh.s.","SpMin8_Bh.v.","SRW02","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsBr","SsCH3","SsCl","SsF","SsI","SsNH2","SsOH","SssCH2","SssNH","SssO","SssS","SsssCH","SsssN","SssssC","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 1.931,2 12.317,3 6.351,4 40.334,5 143.064,6 9.461,7 0.279,8 4.293,9 4.396,10 4.02,11 3.815,12 5.531,13 3.828,14 4.888,15 5.038,16 4.528,17 4.212,18 6.68,19 4.214,20 5.16,21 5.342,22 4.639,23 4.424,24 6.495,25 4.39,26 5.316,27 5.529,28 4.497,29 4.383,30 6.636,31 4.358,32 5.208,33 5.404,34 4.558,35 4.318,36 6.632,37 4.326,38 5.28,39 5.46,40 4.748,41 4.333,42 7.323,43 4.345,44 5.155,45 5.339,46 4.522,47 4.373,48 6.517,49 4.334,50 5.29,51 5.494,52 4.586,53 4.389,54 6.715,55 4.37,56 0.429,57 1.345,58 7.932,59 6.35,60 80.719,61 6.505,62 1.805,63 2.713,64 21.826,65 10.926,66 304.322,67 11.758,68 1.455,69 2.414,70 38.775,71 15.028,72 198.794,73 17.252,74 2.307,75 2.575,76 49.464,77 16.445,78 386.156,79 17.911,80 1.851,81 2.598,82 41.624,83 14.983,84 307.986,85 16.924,86 3.89,87 3.493,88 46.469,89 15.03,90 682.249,91 16.117,92 1.608,93 2.299,94 36.609,95 14.976,96 265.873,97 17.193,98 2.537,99 2.711,100 52.711,101 17.107,102 408.07,103 16.937,104 149,105 63,106 0.307,107 0.62,108 0.79,109 0.865,110 0.869,111 0.869,112 3.741,113 0.913,114 -6.02,115 -5.87,116 -5.46,119 40.9,121 4,124 1,125 1,126 2,128 2,129 2,132 6,133 4,134 2,144 3,155 13,157 1,158 5,160 2,162 3,163 14,166 8,168 1,169 1,170 4,173 12,176 11,181 1,183 9,185 2,186 8,189 2,191 2,193 12,196 6,200 2,203 14,205 1,206 6,209 1,211 3,214 15,217 1,218 6,221 1,223 4,224 12,227 7,231 4,234 12,238 4032,239 25.736,240 25.736,241 25.736,242 25.736,243 25.736,244 23.806,245 31.648,246 14.699,247 26.62,248 21.146,249 21.146,250 21.146,251 21.146,252 21.146,253 17.911,254 32.57,255 7,256 22.811,257 4.114,258 2.15,259 1.08,260 0.61,261 0.58,262 0.58,263 4.411,264 2,268 1037,269 5.657,272 330.883,273 192.434,277 1.822,278 106.622,280 0.5,281 0.67,282 0.83,283 0.9,284 1,285 0.83,286 1,287 0.82,288 96.167,289 505,290 4.587,291 4.483,292 7.187,293 4.295,294 3.406,295 4.101,296 3.825,297 11.986,298 3.104,299 4.292,300 4.439,301 7.052,302 4.059,303 3.23,304 3.872,305 3.825,306 11.446,307 2.851,308 4.241,309 3.748,310 6.528,311 3.981,312 3.026,313 3.425,314 1.956,315 10.047,316 2.775,317 4.16,318 3.724,319 6.049,320 3.808,321 2.821,322 3.414,323 1.23,324 8.685,325 2.676,326 3.999,327 3.428,328 5.96,329 3.737,330 2.819,331 3.188,332 1.058,333 8.392,334 2.601,335 3.752,336 3.322,337 5.741,338 3.44,339 2.483,340 2.976,341 0.521,342 7.734,343 2.354,344 3.579,345 2.92,346 5.185,347 3.236,348 2.231,349 2.824,350 0.248,351 6.294,352 2.185,353 3.396,354 2.454,355 5.01,356 3.025,357 2.095,358 2.58,360 5.948,361 1.85,362 3.088,363 2.356,364 4.828,365 2.702,366 1.762,367 2.181,369 5.281,370 1.602,371 2.82,372 2.154,373 4.377,374 2.598,375 1.596,376 1.948,378 3.92,379 1.596,380 2.736,381 2.128,382 4.346,383 2.498,384 1.528,385 1.72,387 3.866,388 1.468,389 2.672,390 1.781,391 4.145,392 2.306,393 1.414,394 1.698,396 3.61,397 1.219,398 2.65,399 1.634,400 4.04,401 2.241,402 1.285,403 1.655,405 3.513,406 1.196,407 2.577,408 1.601,409 3.712,410 2.211,411 1.268,412 1.557,414 3.29,415 1.157,416 2.257,417 1.479,418 3.331,419 1.663,420 0.657,421 0.916,423 1.561,424 0.652,425 18.843,426 0.46,427 1.615,428 0.039,429 44,430 1.073,431 18,432 0.439,433 26,434 0.634,435 46.303,436 1.129,437 47.757,438 0.724,439 49.573,440 1.209,441 9.028,442 0.22,443 10.028,444 0.245,445 0.246,446 0.053,447 0.313,448 6,450 0.577,451 1.001,452 0.542,453 0.999,454 0.587,455 0.922,456 0.415,457 0.727,458 0.592,459 0.893,460 0.379,461 0.944,462 0.612,463 0.852,464 0.73,465 1.031,466 0.559,467 1.045,468 1.027,469 0.891,470 0.928,471 0.924,472 1.035,473 1.008,474 0.815,475 0.965,476 0.717,477 0.983,478 0.867,479 0.929,480 0.608,481 0.575,482 0.793,483 0.822,484 0.679,485 0.947,486 0.668,487 0.836,488 0.8,489 1.039,490 0.691,491 1.083,492 1.248,493 1.025,494 1.162,495 0.941,496 1.219,497 0.995,498 12.5,499 0.587,500 6,501 3.375,502 2.992,503 2.316,504 1.273,505 0.883,506 0.709,507 0.728,508 24404,509 107758,510 1.902,511 37.9,512 2,513 15,516 2,518 6,520 1.814,521 1.708,522 3.541,523 0.234,527 127.432,528 1.931,529 3.895,530 4.964,531 5.434,532 5.465,533 5.465,534 2.893,535 4.833,536 5.331,537 3.821,538 3133.59,539 9.464,540 55939.4,544 398.93,545 1.781,546 5.228,547 0.291,548 0.009,549 0.095,550 0.05,551 0.049,552 0.035,553 0.018,554 0.014,555 0.011,556 0.011,557 0.582,558 0.17,559 0.63,560 0.862,561 231.441,562 -0.035,563 -0.058,565 -0.009,566 -0.058,567 0.012,568 0.369,569 0.296,570 0.109,571 0.072,572 0.387,573 -0.009,574 0.008,575 -0.115,576 0.098,577 -0.075,578 0.044,579 -0.029,580 -0.177,581 -0.076,582 -0.084,583 -0.004,584 -0.159,585 -0.011,586 -0.026,587 -0.19,588 0.085,589 -0.063,590 -0.049,591 0.069,592 0.51,593 0.498,594 0.067,595 0.12,596 0.477,597 -0.024,599 -0.123,600 0.024,601 -0.084,602 -0.003,603 -0.057,604 -0.227,605 0.001,606 -0.156,607 0.054,608 -0.205,610 6.392,611 6.255,612 0.463,613 47.731,614 1.049,615 1.156,616 4.793,617 22.974,618 0.669,619 3.784,620 4.159,621 4.317,622 4.466,623 4.727,624 4.82,625 4.82,626 4.836,627 4.82,628 4.89,629 8.135,630 0.668,631 624.45,632 3.784,633 5.361,634 6.188,635 7.072,636 7.924,637 8.806,638 9.668,639 10.55,640 11.417,641 12.301,642 4.5,648 3,654 6,659 6,661 12,663 1,669 2,670 66,672 16,673 2,674 43,676 68,677 27,678 12,679 6,680 6,681 4,683 3,684 3,685 2,688 2,691 4,693 2,694 6,696 17,697 10,699 4,703 3,705 2,707 3,711 6,713 25,714 12,715 2,716 14,717 2,720 3,721 1,722 3,733 2,734 1,742 2,746 2,753 3,757 1,758 2,759 6,761 41,766 5,767 2,770 2,771 1,772 2,777 8,778 4.5,781 3,785 24,786 11.926,787 8.722,788 3.852,789 1.984,790 1.261,791 0.946,792 10.794,793 9.6,794 3.989,795 4.533,796 4.97,797 5.381,798 5.902,799 6.072,800 6.26,801 6.33,802 6.43,803 6.693,804 0.875,805 68,806 17.753,807 9.904,808 8.668,809 27.152,810 22.184,811 3.168,812 129.889,815 270.735,816 145.827,817 39.146,818 78.297,819 75.435,820 89.761,822 145.827,823 424.467,824 128.906,825 8.396,826 51.39,827 75.81,828 89.549,829 109.504,831 270.735,832 93.816,833 270.735,834 184.972,835 165.195,836 78.297,838 200.109,839 235.822,841 66.909,842 99.111,843 97.25,845 360.496,846 114.581,847 224.124,850 286.254,851 46.101,852 87.331,853 36.022,854 243.493,855 270.735,856 204.341,857 224.124,859 0.604,860 0.33,861 0.15,862 0.09,863 27,864 16,865 0.103,866 7,868 1,869 4.656,870 403.475,872 19,873 198.15,878 32.783,879 13.499,880 9.129,882 204.341,883 5.122,888 -3.204,890 36.022,891 699.201,892 53,896 38.035,898 2.319,900 -2.181,902 69.265,903 76.277,904 0.319,905 0.644,906 0.821,907 0.899,908 0.904,909 0.904,910 5.283,911 2.095,912 6.256,913 6.294,914 4.844,915 5.22,916 3.969,917 7.112,918 4.706,919 6.517,920 1.762,921 7.87,922 5.948,923 4.796,924 5.215,925 4.629,926 8.347,927 4.456,928 7.849,929 1.596,930 9.595,931 5.281,932 6.567,933 7.322,934 6.168,935 11.315,936 6.276,937 9.21,938 1.528,939 11.383,940 3.92,941 7.245,942 8.016,943 7.396,944 13.295,945 6.746,946 10.598,947 1.414,948 13.211,949 3.866,950 8.606,951 9.712,952 8.762,953 15.894,954 8.117,955 12.005,956 1.285,957 15.067,958 3.61,959 9.575,960 10.719,961 10.086,962 18.155,963 8.906,964 13.427,965 1.268,966 16.943,967 3.513,968 10.806,969 12.252,970 11.43,971 20.647,972 10.101,973 3.406,974 0.657,975 18.834,976 3.29,977 11.896,978 13.42,979 12.768,980 23.021,981 11.042,982 3.23,983 11.986,984 20.736,985 1.561,986 13.086,987 14.878,988 14.11,989 25.483,990 12.166,991 3.026,992 11.446,993 22.648,994 4.101,995 14.228,996 16.136,997 15.451,998 27.904,999 13.18,1000 2.821,1001 10.047,1002 24.568,1003 3.872,1004 15.41,1005 17.559,1006 16.793,1007 30.361,1008 14.278,1009 2.819,1010 8.685,1011 26.494,1012 3.425,1013 16.577,1014 18.87,1015 18.134,1016 32.804,1017 15.331,1018 2.483,1019 8.392,1020 28.425,1021 3.414,1022 17.761,1023 20.275,1024 19.476,1025 35.262,1026 16.422,1027 2.231,1028 7.734,1029 30.361,1030 3.188,1031 18.942,1032 21.619,1033 20.818,1034 37.716,1035 17.496,1036 24287,1037 51495,1038 26.353,1039 44.142,1040 66.739,1041 67.258,1042 67.514,1043 65.594,1044 64.962,1045 78.185,1046 25.329,1047 195.11,1048 60.169,1049 5.535,1050 6.483,1051 6.947,1052 5.338,1053 5.406,1054 7.101,1055 5.335,1056 19.299,1057 5.104,1058 30.367,1059 1.552,1060 1.564,1061 1.57,1062 1.525,1063 1.511,1064 1.818,1065 0.589,1066 4.537,1067 1.399,1068 4.021,1069 4.047,1070 4.121,1071 3.936,1072 8.518,1073 3.939,1074 3.929,1075 3.951,1076 3.973,1077 3.876,1078 8.509,1079 3.87,1080 3.862,1081 3.91,1082 3.787,1083 3.703,1084 7.999,1085 3.709,1086 3.709,1087 3.75,1088 3.671,1089 3.579,1090 7.999,1091 3.581,1092 3.508,1093 3.558,1094 3.475,1095 3.283,1096 7.999,1097 3.31,1098 3.431,1099 3.47,1100 3.449,1101 3.136,1102 7.999,1103 3.179,1104 3.325,1105 3.372,1106 3.405,1107 3.113,1108 7.435,1109 3.149,1110 3.235,1111 3.307,1112 3.353,1113 3.047,1114 7.426,1115 3.045,1116 0.107,1117 0.104,1118 0.167,1119 0.1,1120 0.079,1121 4.587,1122 0.095,1123 4.483,1124 0.089,1125 7.187,1126 0.279,1127 4.295,1128 0.072,1129 3.406,1130 4.101,1131 3.825,1132 11.986,1133 3.104,1134 1.948,1135 1.929,1136 2.033,1137 2.055,1138 1.32,1139 2.047,1140 1.91,1141 1.892,1142 1.985,1143 1.988,1144 1.272,1145 1.992,1146 1.741,1147 1.696,1148 1.961,1149 1.918,1150 1.143,1151 1.925,1152 1.666,1153 1.615,1154 1.826,1155 1.85,1156 1.033,1157 1.855,1158 1.58,1159 1.522,1160 1.764,1161 1.798,1162 0.955,1163 1.793,1164 1.355,1165 1.31,1166 1.593,1167 1.602,1168 0.644,1169 1.589,1170 1.179,1171 1.151,1172 1.403,1173 1.532,1174 0.546,1175 1.414,1176 1.164,1177 1.127,1178 1.224,1179 1.384,1180 0.397,1181 1.389,1182 4.466,1183 5.826,1185 7.347,1186 2.708,1187 8.939,1188 5.094,1189 10.574,1191 1.18,1192 12.025,1193 80.235,1197 2.302,1198 5.237,1201 -1.814,1202 0.917,1203 -10.285,1206 44.065,1207 127.432,1208 257.042,1209 327.646,1210 358.665,1211 360.665,1212 360.665,1213 213.148,1214 7.616,1215 78.51,1216 78.51,1217 19,1218 12.838,1219 4.087,1220 3.459,1221 90.167,1222 190,1223 200,1224 0.214,1225 274.536,1226 516.59,1227 661.628,1228 20212,1229 12.1,1230 30.535,1231 0.745,1232 0.561,1233 26.535,1234 23.017,1235 19.057,1236 0.443,1237 0.304,1238 12.127,1239 17.46,1240 11.908,1241 9.733,1242 17.211,1243 13.086,1244 19.234,1245 0.305,1246 0.163,1247 16.06,1248 10.252,1249 14.127,1250 0.191,1251 0.097,1252 13.063,1253 7.142,1254 10.015,1255 0.116,1256 0.052,1257 9.648,1258 4.491,1259 8.511,1260 0.076,1261 0.028,1262 7.526,1263 3.156,1264 0.335,1265 128.407,1266 0.195,1267 36.307,1268 0.595,1269 212,1270 1072.59,1271 289.905,1272 923.146,1273 1143,1274 844,1275 243,1276 714.113,1277 303.74,1278 702.037,1279 1061.55,1280 655,1281 7.35}
{0 CHEMBL1083559,1 1.347,2 19.292,3 6.665,4 44.426,5 194.877,6 6.382,7 0.34,8 4.683,9 4.818,10 4.12,11 4.224,12 5.602,13 4.167,14 5.294,15 5.492,16 4.466,17 4.658,18 6.15,19 4.567,20 5.634,21 5.879,22 4.527,23 4.843,24 6.444,25 4.705,26 5.737,27 6.013,28 4.482,29 4.832,30 6.553,31 4.678,32 5.709,33 5.983,34 4.501,35 4.814,36 6.602,37 4.672,38 5.673,39 5.928,40 4.522,41 4.863,42 6.48,43 4.716,44 5.779,45 6.052,46 4.537,47 4.886,48 6.598,49 4.73,50 5.751,51 6.03,52 4.498,53 4.844,54 6.57,55 4.69,56 0.104,57 1.441,58 24.508,59 10.212,60 12.465,61 14.445,62 0.439,63 2.444,64 46.016,65 17.19,66 38.576,67 25.035,68 0.618,69 3.187,70 64.633,71 23.547,72 60.385,73 34.574,74 0.642,75 3.318,76 71.869,77 25.056,78 77.636,79 37.177,80 0.965,81 3.195,82 70.639,83 24.243,84 122.561,85 35.609,86 0.506,87 3.225,88 66.854,89 25.041,90 67.448,91 36.492,92 0.704,93 3.459,94 74.951,95 26.599,96 88.514,97 39.187,98 0.813,99 3.34,100 73.206,101 25.481,102 89.902,103 37.526,104 10,105 72,106 0.196,107 0.459,108 0.656,109 0.786,110 0.817,111 0.829,112 3.894,113 1.037,114 -5.58,115 -5.45,116 -5.08,119 40.2,120 1,121 9,122 1,125 8,126 1,127 1,132 13,133 5,144 2,155 27,158 5,160 2,162 5,163 31,165 1,166 8,168 1,169 1,170 8,173 23,176 8,181 6,183 17,185 2,186 9,189 2,191 6,193 23,196 9,200 6,203 25,205 1,206 10,211 6,214 21,217 1,218 11,221 2,223 5,224 22,227 8,231 3,234 24,238 6534,239 32.937,240 32.937,241 32.937,242 32.937,243 32.937,244 30.541,245 33.116,246 19.779,247 33.377,248 26.18,249 26.18,250 26.18,251 26.18,252 26.18,253 22.628,254 37.423,255 9.431,256 26.834,257 5.325,258 3.516,259 2.158,260 1.265,261 1.047,262 0.968,263 4.605,268 2032,269 4.796,271 168.731,272 1033.79,277 3.007,278 39.055,280 0.5,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.68,288 101,289 926,290 4.574,291 4.082,292 7.627,293 4.485,294 3.501,295 3.952,296 1.956,297 13.894,298 3.437,299 4.283,300 3.525,301 6.168,302 3.91,303 2.908,304 3.706,305 1.058,306 9.12,307 2.913,308 4.031,309 3.011,310 5.982,311 3.688,312 2.729,313 3.522,314 0.86,315 8.418,316 2.689,317 3.933,318 2.892,319 5.619,320 3.67,321 2.684,322 3.454,323 0.8,324 7.794,325 2.629,326 3.726,327 2.872,328 5.604,329 3.639,330 2.644,331 3.078,332 0.8,333 7.757,334 2.582,335 3.677,336 2.706,337 5.331,338 3.425,339 2.472,340 2.727,341 0.248,342 6.949,343 2.345,344 3.487,345 2.701,346 5.144,347 3.295,348 2.294,349 2.515,351 6.294,352 2.295,353 3.408,354 2.487,355 5.045,356 3.231,357 2.25,358 2.451,360 6.097,361 2.2,362 3.105,363 2.461,364 4.954,365 2.995,366 2.075,367 2.292,369 5.863,370 1.906,371 3.077,372 2.257,373 4.719,374 2.692,375 1.675,376 2.084,378 4.478,379 1.692,380 2.955,381 2.034,382 4.431,383 2.645,384 1.639,385 2.054,387 4.203,388 1.644,389 2.802,390 1.926,391 4.13,392 2.435,393 1.446,394 1.836,396 3.368,397 1.433,398 2.655,399 1.523,400 3.618,401 2.305,402 1.414,403 1.66,405 3.072,406 1.272,407 2.5,408 1.418,409 3.612,410 2.267,411 1.281,412 1.5,414 3.034,415 1.23,416 2.5,417 1.402,418 3.592,419 2.094,420 1.102,421 1.5,423 2.553,424 1.088,425 23.1,426 0.481,427 0.976,428 0.02,429 51,430 1.063,431 21,432 0.438,433 30,434 0.625,435 59.612,436 1.242,437 53.7,438 0.526,439 43.169,440 0.899,441 9.326,442 0.194,443 14.128,444 0.294,445 0.051,446 0.022,447 0.229,450 0.772,451 1.356,452 0.944,453 1.182,454 0.57,455 1.091,456 1.015,457 1.17,458 1.063,459 1.077,460 0.591,461 1.068,462 1.006,463 1.102,464 1.093,465 1.09,466 0.83,467 1.092,468 1.163,469 1.029,470 1.005,471 0.985,472 1.319,473 0.975,474 1.306,475 0.838,476 0.983,477 0.829,478 1.582,479 0.866,480 0.978,481 1.106,482 1.019,483 1.075,484 1.085,485 1.054,486 1.124,487 1.045,488 0.999,489 1.001,490 1.13,491 0.989,492 1.221,493 0.898,494 0.983,495 0.888,496 1.339,497 0.907,498 9.5,499 0.287,500 4.889,501 2.375,502 2.214,503 1.378,504 1.071,505 0.726,506 0.666,507 0.395,508 50046,509 97435,510 2.132,511 52.9,512 7,513 30,516 2,518 15,520 1.844,521 2.05,522 4.149,523 0.002,527 137.409,528 1.347,529 3.157,530 4.514,531 5.408,532 5.626,533 5.704,534 3.671,535 5.002,536 5.549,537 4.375,538 4934.54,539 9.87,540 103786,544 680.587,545 1.225,546 5.536,547 0.179,548 0.004,549 0.068,550 0.033,551 0.033,552 0.02,553 0.015,554 0.01,555 0.01,556 0.006,557 0.377,558 0.17,559 0.5,560 0.366,561 290.783,562 0.011,563 -0.101,564 0.064,565 -0.017,566 0.007,567 0.021,568 0.007,569 -0.009,570 -0.043,571 -0.018,572 0.051,573 -0.034,574 -0.011,575 -0.036,576 -0.089,577 -0.087,578 0.017,579 -0.095,580 -0.052,581 -0.037,583 -0.025,584 -0.028,585 -0.008,586 0.028,587 0.149,588 0.042,589 0.123,590 0.048,591 0.09,592 -0.034,593 -0.085,594 -0.029,595 -0.066,596 0.002,597 -0.049,598 -0.015,599 -0.058,600 0.004,601 -0.031,602 0.027,603 -0.015,604 -0.024,605 0.085,606 0.028,607 0.065,608 -0.04,609 0.053,610 2.123,611 7.116,612 0.729,613 82.401,614 0.985,615 1.127,616 4.347,617 18.897,618 0.641,619 3.989,620 4.29,621 4.533,622 4.745,623 4.942,624 4.949,625 5.05,626 5.142,627 5.268,628 5.361,629 10.855,630 0.592,631 650.99,632 3.989,633 5.525,634 6.361,635 7.222,636 8.072,637 8.937,638 9.794,639 10.661,640 11.523,641 12.394,642 3.9,645 2,648 2,654 13,659 5,661 18,662 1,670 102,672 20,673 3,674 53,676 107,677 41,678 18,679 5,680 13,681 1,683 6,684 6,688 1,691 6,692 2,694 10,696 20,697 21,698 2,699 2,703 2,707 2,713 54,714 7,715 2,716 7,720 4,721 1,722 3,732 1,733 5,742 1,749 2,752 1,753 6,757 1,761 48,766 17,767 2,768 1,770 2,771 2,772 1,778 2.9,781 2,782 1,785 23.417,786 17.9,787 10.597,788 6.739,789 2.228,790 1.265,791 0.966,792 12.253,793 10.621,794 4.174,795 4.649,796 5.101,797 5.537,798 5.997,799 6.09,800 6.422,801 6.663,802 7.005,803 7.323,804 1,805 72,806 18.007,807 7.709,808 7.491,809 35.798,810 30.562,811 1.991,812 95.583,815 612.097,816 201.983,817 42.27,819 61.29,822 201.983,823 673.387,824 42.27,825 8.825,826 80.651,827 123.191,828 70.699,829 22.177,831 612.097,833 612.097,834 244.254,835 61.29,838 435.531,839 226.856,840 11,841 95.725,842 148.528,845 612.097,846 103.56,847 201.983,850 612.097,851 69.967,852 138.265,853 36.022,854 61.29,855 612.097,856 103.56,857 201.983,859 0.575,860 0.331,861 0.174,862 0.094,863 32,864 13,865 0.121,866 13,868 1,869 5.781,870 495.482,872 35,873 244.078,878 34.673,879 16.963,880 9.719,882 103.56,883 26.567,888 5.217,890 36.022,891 917.641,892 64,896 27.672,900 -0.217,902 100.479,903 115.001,904 0.202,905 0.473,906 0.677,907 0.81,908 0.843,909 0.855,910 5.423,911 2.25,912 6.333,913 6.294,914 4.977,915 5.338,916 2.583,917 7.122,918 4.934,919 6.571,920 2.075,921 7.879,922 6.097,923 4.511,924 4.945,925 1.738,926 8.22,927 4.458,928 7.847,929 1.675,930 9.538,931 5.863,932 6.575,933 7.329,934 3.225,935 11.274,936 6.495,937 9.155,938 1.639,939 11.277,940 4.478,941 6.995,942 7.763,943 3.141,944 13.371,945 6.911,946 10.502,947 1.446,948 13.074,949 4.203,950 8.501,951 9.631,952 4.271,953 16.052,954 8.391,955 11.874,956 1.414,957 14.918,958 3.368,959 9.34,960 10.451,961 4.564,962 18.518,963 9.224,964 13.268,965 1.281,966 16.8,967 3.072,968 10.639,969 12.091,970 5.488,971 21.142,972 10.501,973 3.501,974 1.102,975 18.713,976 3.034,977 11.683,978 13.116,979 5.962,980 23.723,981 11.535,982 2.908,983 13.894,984 20.65,985 2.553,986 12.916,987 14.637,988 6.773,989 26.346,990 12.747,991 2.729,992 9.12,993 22.608,994 3.952,995 14.06,996 15.781,997 7.337,998 28.962,999 13.876,1000 2.684,1001 8.418,1002 24.582,1003 3.706,1004 15.28,1005 17.232,1006 8.087,1007 31.589,1008 15.076,1009 2.644,1010 7.794,1011 26.569,1012 3.522,1013 16.473,1014 18.451,1015 8.698,1016 34.215,1017 16.252,1018 2.472,1019 7.757,1020 28.565,1021 3.454,1022 17.697,1023 19.861,1024 9.414,1025 36.845,1026 17.457,1027 2.294,1028 6.949,1029 30.57,1030 3.078,1031 18.916,1032 21.127,1033 10.051,1034 39.474,1035 18.657,1036 46177,1037 64652,1038 36.345,1039 65.421,1040 78.239,1041 79.782,1042 80.023,1043 77.842,1044 77.829,1045 92.754,1046 11.445,1047 216.535,1048 76.161,1049 5.574,1050 6.082,1051 7.429,1052 5.559,1053 5.501,1054 6.952,1055 3.429,1056 21.3,1057 5.437,1058 17.117,1059 1.476,1060 1.505,1061 1.51,1062 1.469,1063 1.468,1064 1.75,1065 0.216,1066 4.086,1067 1.437,1068 4.056,1069 4.092,1070 3.991,1071 3.987,1072 7.433,1073 3.983,1074 3.957,1075 3.995,1076 3.878,1077 3.88,1078 7.424,1079 3.874,1080 3.902,1081 3.958,1082 3.812,1083 3.797,1084 4.828,1085 3.795,1086 3.89,1087 3.93,1088 3.784,1089 3.741,1090 4.751,1091 3.742,1092 3.781,1093 3.829,1094 3.705,1095 3.714,1096 4.615,1097 3.707,1098 3.769,1099 3.811,1100 3.636,1101 3.608,1102 4.58,1103 3.605,1104 3.637,1105 3.702,1106 3.499,1107 3.48,1108 4.387,1109 3.476,1110 3.386,1111 3.457,1112 3.261,1113 3.18,1114 4.312,1115 3.189,1116 0.086,1117 0.077,1118 0.144,1119 0.085,1120 0.066,1121 4.574,1122 0.075,1123 4.082,1124 0.037,1125 7.627,1126 0.262,1127 4.485,1128 0.065,1129 3.501,1130 3.952,1131 1.956,1132 13.894,1133 3.437,1134 2.003,1135 1.982,1136 2.1,1137 2.072,1138 1.443,1139 2.08,1140 1.933,1141 1.901,1142 2.082,1143 2.065,1144 1.38,1145 2.074,1146 1.861,1147 1.803,1148 2.059,1149 2.026,1150 1.264,1151 2.04,1152 1.808,1153 1.78,1154 1.975,1155 1.946,1156 1.224,1157 1.959,1158 1.759,1159 1.702,1160 1.934,1161 1.929,1162 1.211,1163 1.929,1164 1.69,1165 1.641,1166 1.876,1167 1.853,1168 1.19,1169 1.864,1170 1.594,1171 1.534,1172 1.86,1173 1.767,1174 1.1,1175 1.793,1176 1.577,1177 1.507,1178 1.809,1179 1.751,1180 1.011,1181 1.787,1182 4.673,1183 5.979,1184 2.398,1185 7.475,1186 4.595,1187 9.051,1188 6.605,1189 10.669,1191 2.077,1197 16.918,1198 6.654,1199 5.548,1201 0.795,1202 5.226,1203 -0.873,1206 60.4,1207 137.409,1208 321.981,1209 460.443,1210 551.568,1211 573.832,1212 581.832,1213 106.744,1214 8.393,1215 73.91,1216 73.91,1217 35,1218 12.938,1219 4.392,1220 3.585,1221 75.463,1222 302,1223 356,1224 0.113,1225 366.661,1226 652.33,1227 886.412,1228 62540,1230 33.185,1231 0.691,1232 0.6,1233 33.185,1234 28.8,1235 23.454,1236 0.443,1237 0.346,1238 18.162,1239 22.846,1240 17.738,1241 14.643,1242 23.454,1243 18.327,1244 20.746,1245 0.288,1246 0.2,1247 20.746,1248 14.387,1249 17.382,1250 0.189,1251 0.117,1252 17.382,1253 10.786,1254 14.049,1255 0.123,1256 0.068,1257 14.049,1258 7.735,1259 11.173,1260 0.08,1261 0.039,1262 11.173,1263 5.375,1264 0.183,1265 144.894,1266 0.166,1267 42.403,1268 0.294,1269 250,1270 569.163,1271 265.911,1272 553.648,1273 758.17,1274 522,1275 289,1276 545.36,1277 305.94,1278 557.539,1279 812.78,1280 526,1281 7.8}
{0 CHEMBL1083560,1 1.356,2 18.638,3 6.179,4 38.181,5 189.836,6 6.434,7 0.346,8 4.656,9 4.79,10 4.101,11 4.198,12 5.58,13 4.143,14 5.266,15 5.46,16 4.442,17 4.631,18 6.128,19 4.541,20 5.612,21 5.861,22 4.499,23 4.811,24 6.417,25 4.674,26 5.7,27 5.975,28 4.464,29 4.798,30 6.523,31 4.648,32 5.682,33 5.952,34 4.488,35 4.793,36 6.586,37 4.654,38 5.663,39 5.919,40 4.499,41 4.844,42 6.469,43 4.696,44 5.761,45 6.037,46 4.51,47 4.855,48 6.575,49 4.699,50 5.715,51 5.993,52 4.48,53 4.81,54 6.54,55 4.661,56 0.098,57 1.402,58 23.653,59 9.867,60 11.843,61 13.921,62 0.429,63 2.382,64 44.556,65 16.622,66 37.97,67 24.152,68 0.616,69 3.109,70 63.286,71 22.898,72 59.103,73 33.633,74 0.631,75 3.21,76 69.469,77 24.075,78 74.992,79 35.677,80 0.955,81 3.125,82 68.883,83 23.581,84 121.834,85 34.548,86 0.504,87 3.185,88 66.206,89 24.737,90 67.868,91 36.031,92 0.705,93 3.384,94 73.763,95 25.997,96 87.455,97 38.317,98 0.804,99 3.232,100 70.834,101 24.498,102 87.479,103 36.03,104 5,105 70,106 0.198,107 0.456,108 0.636,109 0.775,110 0.815,111 0.83,112 3.874,113 1.034,114 -5.41,115 -5.29,116 -4.94,119 40.4,121 9,122 1,125 8,126 1,127 1,132 14,133 4,144 2,155 26,158 5,160 2,162 5,163 29,165 1,166 8,168 1,169 1,170 8,173 21,176 8,181 6,183 16,185 2,186 9,189 2,191 6,193 22,196 9,200 6,203 23,205 1,206 10,211 6,214 19,217 1,218 11,221 2,223 5,224 21,227 8,231 3,234 24,238 6194,239 32.49,240 32.49,241 32.49,242 32.49,243 32.49,244 30.119,245 30.69,246 19.692,247 32.93,248 25.714,249 25.714,250 25.714,251 25.714,252 25.714,253 22.223,254 35.952,255 9.394,256 26.368,257 5.273,258 3.505,259 2.276,260 1.323,261 1.051,262 0.949,263 4.586,268 1928,269 4.743,271 164.274,272 1008.72,277 2.919,278 38.232,280 0.5,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.68,288 99,289 876,290 4.574,291 4.082,292 7.627,293 4.485,294 3.501,295 3.931,296 1.956,297 13.894,298 3.437,299 4.269,300 3.525,301 6.164,302 3.899,303 2.897,304 3.693,305 1.058,306 9.104,307 2.902,308 4.002,309 3.011,310 5.981,311 3.679,312 2.729,313 3.467,314 0.86,315 8.412,316 2.672,317 3.932,318 2.888,319 5.619,320 3.664,321 2.675,322 3.447,323 0.8,324 7.794,325 2.627,326 3.726,327 2.842,328 5.604,329 3.633,330 2.632,331 2.758,332 0.8,333 7.757,334 2.582,335 3.488,336 2.706,337 5.331,338 3.425,339 2.472,340 2.727,341 0.248,342 6.949,343 2.345,344 3.421,345 2.7,346 5.144,347 3.232,348 2.252,349 2.51,351 6.293,352 2.201,353 3.366,354 2.461,355 4.954,356 2.995,357 2.075,358 2.447,360 5.863,361 1.909,362 3.084,363 2.258,364 4.722,365 2.901,366 1.897,367 2.089,369 4.763,370 1.898,371 2.977,372 2.122,373 4.532,374 2.688,375 1.672,376 2.079,378 4.291,379 1.689,380 2.878,381 1.926,382 4.18,383 2.459,384 1.458,385 1.978,387 3.571,388 1.454,389 2.799,390 1.715,391 3.618,392 2.432,393 1.444,394 1.827,396 3.072,397 1.43,398 2.542,399 1.523,400 3.612,401 2.3,402 1.411,403 1.533,405 3.034,406 1.241,407 2.5,408 1.418,409 3.594,410 2.184,411 1.195,412 1.5,414 2.708,415 1.175,416 2.5,417 1.225,418 3.566,419 2.043,420 1.051,421 1.5,423 2.491,424 1.038,425 22.6,426 0.481,427 0.87,428 0.019,429 50.5,430 1.074,431 21,432 0.447,433 29.5,434 0.628,435 56.967,436 1.212,437 52.4,438 0.529,439 42.353,440 0.901,441 9.285,442 0.198,443 13.775,444 0.293,445 0.029,446 0.022,447 0.212,450 0.771,451 1.353,452 0.933,453 1.174,454 0.559,455 1.082,456 1.021,457 1.192,458 1.084,459 1.099,460 0.6,461 1.09,462 0.998,463 1.08,464 1.074,465 1.067,466 0.818,467 1.07,468 1.174,469 1.022,470 1,471 0.974,472 1.323,473 0.965,474 1.313,475 0.847,476 0.998,477 0.839,478 1.588,479 0.878,480 0.964,481 1.106,482 1.02,483 1.079,484 1.072,485 1.057,486 1.113,487 1.025,488 0.981,489 0.98,490 1.114,491 0.968,492 1.233,493 0.886,494 0.977,495 0.873,496 1.344,497 0.894,498 8.5,499 0.287,500 4.444,501 2.313,502 2.023,503 1.267,504 0.99,505 0.71,506 0.629,507 0.355,508 47291,509 93676,510 2.148,511 52.5,512 4,513 31,516 2,518 15,520 1.839,521 2.081,522 4.105,523 0.01,527 134.251,528 1.356,529 3.124,530 4.353,531 5.306,532 5.579,533 5.68,534 3.594,535 4.959,536 5.519,537 4.336,538 4686.9,539 9.812,540 96791.3,544 656.306,545 1.125,546 5.512,547 0.163,548 0.004,549 0.063,550 0.033,551 0.031,552 0.018,553 0.014,554 0.01,555 0.009,556 0.005,557 0.352,558 0.17,559 0.63,560 0.312,561 282.732,562 0.009,563 -0.104,564 0.065,565 -0.018,566 0.013,567 0.021,568 -0.001,569 -0.029,570 -0.069,571 -0.044,572 0.042,573 -0.061,574 -0.008,575 -0.023,576 -0.074,577 -0.072,578 0.021,579 -0.078,580 -0.055,581 -0.029,582 0.006,583 -0.016,584 -0.025,585 0.001,586 0.021,587 0.143,588 0.029,589 0.114,590 0.043,591 0.078,592 -0.034,593 -0.092,594 -0.034,595 -0.074,596 -0.001,597 -0.056,598 -0.011,599 -0.047,600 0.02,601 -0.016,602 0.031,603 0.002,604 -0.027,605 0.097,606 0.036,607 0.078,608 -0.037,609 0.065,610 2.12,611 7.089,612 0.745,613 77.908,614 0.986,615 1.127,616 4.177,617 17.449,618 0.643,619 3.97,620 4.263,621 4.511,622 4.727,623 4.913,624 4.905,625 5.024,626 5.118,627 5.226,628 5.303,629 10.61,630 0.595,631 636.96,632 3.97,633 5.501,634 6.337,635 7.195,636 8.045,637 8.908,638 9.764,639 10.631,640 11.493,641 12.362,642 4,645 2,648 2,654 14,659 4,661 18,662 1,670 99,672 20,673 3,674 52,676 104,677 40,678 18,679 4,680 14,681 1,683 6,684 6,691 6,692 2,694 10,696 20,697 20,698 2,699 2,703 2,707 2,713 52,714 7,715 2,716 7,720 4,721 1,722 3,732 1,733 5,742 1,749 2,752 1,753 6,761 47,766 17,767 2,768 1,770 2,771 2,772 1,778 3,781 2,782 1,785 22.583,786 16.983,787 10.431,788 6.544,789 2.174,790 1.261,791 0.968,792 12.029,793 10.497,794 4.159,795 4.62,796 5.074,797 5.51,798 5.954,799 6.006,800 6.372,801 6.603,802 6.896,803 7.152,804 0.923,805 70,806 17.63,807 7.559,808 7.498,809 35.024,810 29.919,811 1.998,812 93.917,815 588.555,816 199.449,817 42.27,819 61.29,822 199.449,823 649.845,824 42.27,826 80.651,827 132.667,828 70.699,829 18.991,831 588.555,833 588.555,834 241.719,835 61.29,838 411.989,839 226.856,840 11,841 86.9,842 154.819,845 588.555,846 103.56,847 199.449,850 588.555,851 66.781,852 138.916,853 36.022,854 61.29,855 588.555,856 103.56,857 199.449,859 0.571,860 0.331,861 0.177,862 0.094,863 31,864 12,865 0.125,866 13,868 1,869 5.726,870 481.924,872 35,873 237.066,878 33.709,879 16.771,880 9.465,882 103.56,883 28.288,888 3.986,890 36.022,891 891.564,892 63,896 27.6,900 -0.218,902 97.596,903 111.586,904 0.205,905 0.471,906 0.657,907 0.8,908 0.842,909 0.857,910 5.4,911 2.075,912 6.301,913 6.293,914 4.949,915 5.308,916 2.583,917 7.088,918 4.905,919 6.539,920 1.897,921 7.843,922 5.863,923 4.443,924 4.844,925 1.738,926 8.191,927 4.386,928 7.809,929 1.672,930 9.502,931 4.763,932 6.541,933 7.281,934 3.225,935 11.253,936 6.458,937 9.112,938 1.458,939 11.242,940 4.291,941 6.948,942 7.666,943 3.141,944 13.362,945 6.86,946 10.456,947 1.444,948 13.044,949 3.571,950 8.471,951 9.57,952 4.271,953 16.045,954 8.357,955 11.826,956 1.411,957 14.894,958 3.072,959 9.309,960 10.357,961 4.564,962 18.515,963 9.189,964 13.22,965 1.195,966 16.781,967 3.034,968 10.616,969 12.022,970 5.488,971 21.14,972 10.475,973 3.501,974 1.051,975 18.698,976 2.708,977 11.663,978 13.024,979 5.962,980 23.723,981 11.511,982 2.897,983 13.894,984 20.639,985 2.491,986 12.9,987 14.56,988 6.773,989 26.346,990 12.728,991 2.729,992 9.104,993 22.6,994 3.931,995 14.046,996 15.689,997 7.337,998 28.962,999 13.86,1000 2.675,1001 8.412,1002 24.576,1003 3.693,1004 15.269,1005 17.15,1006 8.087,1007 31.589,1008 15.063,1009 2.632,1010 7.794,1011 26.564,1012 3.467,1013 16.464,1014 18.357,1015 8.698,1016 34.215,1017 16.241,1018 2.472,1019 7.757,1020 28.562,1021 3.447,1022 17.69,1023 19.772,1024 9.414,1025 36.844,1026 17.447,1027 2.252,1028 6.949,1029 30.568,1030 2.758,1031 18.91,1032 21.03,1033 10.051,1034 39.474,1035 18.649,1036 43487,1037 61436,1038 35.939,1039 63.66,1040 76.696,1041 78.21,1042 78.094,1043 76.314,1044 76.284,1045 91.052,1046 11.445,1047 210.431,1048 74.616,1049 5.574,1050 6.082,1051 7.429,1052 5.559,1053 5.501,1054 6.931,1055 3.429,1056 21.3,1057 5.437,1058 13.197,1059 1.475,1060 1.504,1061 1.502,1062 1.468,1063 1.467,1064 1.751,1065 0.22,1066 4.047,1067 1.435,1068 4.05,1069 4.087,1070 3.984,1071 3.978,1072 7.433,1073 3.975,1074 3.954,1075 3.991,1076 3.875,1077 3.879,1078 7.424,1079 3.873,1080 3.9,1081 3.956,1082 3.808,1083 3.793,1084 4.834,1085 3.791,1086 3.889,1087 3.929,1088 3.784,1089 3.74,1090 4.752,1091 3.741,1092 3.771,1093 3.829,1094 3.682,1095 3.69,1096 4.615,1097 3.683,1098 3.756,1099 3.787,1100 3.636,1101 3.608,1102 4.584,1103 3.605,1104 3.637,1105 3.702,1106 3.499,1107 3.48,1108 4.387,1109 3.476,1110 3.384,1111 3.457,1112 3.251,1113 3.174,1114 4.312,1115 3.18,1116 0.088,1117 0.079,1118 0.147,1119 0.086,1120 0.067,1121 4.574,1122 0.076,1123 4.082,1124 0.038,1125 7.627,1126 0.267,1127 4.485,1128 0.066,1129 3.501,1130 3.931,1131 1.956,1132 13.894,1133 3.437,1134 1.994,1135 1.974,1136 2.091,1137 2.07,1138 1.443,1139 2.076,1140 1.933,1141 1.901,1142 2.081,1143 2.061,1144 1.38,1145 2.07,1146 1.861,1147 1.803,1148 2.059,1149 2.025,1150 1.264,1151 2.04,1152 1.788,1153 1.758,1154 1.974,1155 1.946,1156 1.213,1157 1.959,1158 1.757,1159 1.701,1160 1.912,1161 1.919,1162 1.211,1163 1.915,1164 1.686,1165 1.639,1166 1.873,1167 1.841,1168 1.178,1169 1.854,1170 1.593,1171 1.534,1172 1.86,1173 1.763,1174 1.1,1175 1.793,1176 1.577,1177 1.507,1178 1.806,1179 1.751,1180 0.954,1181 1.783,1182 4.654,1183 5.953,1184 2.398,1185 7.446,1186 4.595,1187 9.021,1188 6.605,1189 10.637,1197 16.924,1198 6.643,1199 5.545,1201 0.796,1202 5.224,1203 -0.87,1206 58.873,1207 134.251,1208 309.318,1209 430.964,1210 525.287,1211 552.306,1212 562.306,1213 102.757,1214 8.323,1215 73.91,1216 73.91,1217 35,1218 12.908,1219 4.392,1220 3.585,1221 73.035,1222 288,1223 344,1224 0.114,1225 357.068,1226 635.03,1227 863.007,1228 57101,1230 32.315,1231 0.688,1232 0.593,1233 32.315,1234 27.878,1235 23.06,1236 0.443,1237 0.345,1238 17.751,1239 22.453,1240 17.401,1241 14.336,1242 23.06,1243 17.916,1244 20.124,1245 0.287,1246 0.198,1247 20.124,1248 13.887,1249 16.972,1250 0.189,1251 0.117,1252 16.972,1253 10.508,1254 13.898,1255 0.124,1256 0.068,1257 13.898,1258 7.62,1259 10.949,1260 0.081,1261 0.039,1262 10.949,1263 5.243,1264 0.184,1265 142.531,1266 0.167,1267 41.676,1268 0.297,1269 244,1270 561.163,1271 259.911,1272 544.792,1273 745.62,1274 514,1275 282,1276 535.36,1277 298.94,1278 545.819,1279 796.6,1280 516,1281 8.7}
{0 CHEMBL1083561,1 1.366,2 17.4,3 5.569,4 31.015,5 181.15,6 6.431,7 0.34,8 4.618,9 4.752,10 4.064,11 4.156,12 5.534,13 4.102,14 5.235,15 5.431,16 4.414,17 4.596,18 6.093,19 4.508,20 5.584,21 5.833,22 4.473,23 4.78,24 6.388,25 4.643,26 5.674,27 5.951,28 4.425,29 4.759,30 6.488,31 4.608,32 5.642,33 5.914,34 4.451,35 4.735,36 6.552,37 4.599,38 5.62,39 5.874,40 4.476,41 4.79,42 6.456,43 4.65,44 5.736,45 6.01,46 4.491,47 4.832,48 6.544,49 4.68,50 5.699,51 5.973,52 4.483,53 4.823,54 6.499,55 4.673,56 0.093,57 1.355,58 22.815,59 9.458,60 10.844,61 13.377,62 0.423,63 2.31,64 43.298,65 16.007,66 36.568,67 23.341,68 0.608,69 3.014,70 61.612,71 22.091,72 57.534,73 32.56,74 0.627,75 3.098,76 67.774,77 23.158,78 70.933,79 34.512,80 0.936,81 2.973,82 66.356,83 22.254,84 118.523,85 32.815,86 0.517,87 3.038,88 63.745,89 23.111,90 72.389,91 33.825,92 0.732,93 3.285,94 72.106,95 25.043,96 85.581,97 37.015,98 0.748,99 3.201,100 69.337,101 24.628,102 76.838,103 36.163,104 5,105 68,106 0.201,107 0.466,108 0.657,109 0.8,110 0.825,111 0.844,112 3.832,113 1.035,114 -5.13,115 -5.03,116 -4.71,119 40,121 9,122 1,125 8,126 1,127 1,132 12,133 4,144 2,155 24,158 5,160 2,162 5,163 27,165 1,166 8,168 1,169 1,170 8,173 19,176 8,181 6,183 12,185 2,186 10,189 2,191 7,193 16,196 10,200 7,203 19,205 1,206 9,211 5,214 20,217 1,218 10,221 2,223 4,224 25,227 8,231 3,234 24,238 5443,239 31.076,240 31.076,241 31.076,242 31.076,243 31.076,244 28.85,245 30.69,246 18.75,247 31.515,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 21.396,254 35.952,255 8.95,256 25.384,257 5.204,258 3.407,259 2.11,260 1.141,261 0.968,262 0.842,263 4.545,267 1,268 1732,269 4.743,271 150.278,272 874.566,275 264.263,277 2.596,278 38.003,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 95,289 783,290 4.578,291 4.082,292 7.627,293 4.485,294 3.502,295 4.352,296 1.956,297 13.894,298 3.438,299 4.421,300 3.529,301 6.248,302 3.964,303 2.961,304 3.697,305 1.058,306 9.407,307 2.968,308 3.944,309 3.011,310 5.894,311 3.674,312 2.728,313 3.456,314 0.86,315 8.119,316 2.636,317 3.918,318 2.895,319 5.619,320 3.649,321 2.665,322 3.351,323 0.8,324 7.793,325 2.582,326 3.726,327 2.855,328 5.604,329 3.551,330 2.54,331 2.727,332 0.8,333 7.753,334 2.561,335 3.487,336 2.705,337 5.331,338 3.425,339 2.472,340 2.513,341 0.248,342 6.949,343 2.345,344 3.407,345 2.699,346 5.143,347 3.231,348 2.251,349 2.449,351 6.291,352 2.2,353 3.118,354 2.461,355 4.954,356 2.995,357 2.075,358 2.427,360 5.863,361 1.906,362 3.085,363 2.257,364 4.716,365 2.689,366 1.672,367 2.219,369 4.455,370 1.69,371 3.025,372 1.926,373 4.448,374 2.618,375 1.618,376 2.084,378 4.299,379 1.618,380 2.95,381 1.91,382 4.219,383 2.535,384 1.531,385 2.057,387 3.688,388 1.532,389 2.804,390 1.618,391 3.633,392 2.435,393 1.446,394 1.85,396 3.072,397 1.433,398 2.738,399 1.523,400 3.618,401 2.316,402 1.414,403 1.766,405 3.035,406 1.305,407 2.5,408 1.418,409 3.611,410 2.292,411 1.314,412 1.5,414 2.951,415 1.236,416 2.426,417 1.379,418 3.591,419 2.12,420 1.127,421 1.425,423 2.561,424 1.113,425 21.6,426 0.48,427 0.87,428 0.019,429 47.5,430 1.056,431 19,432 0.422,433 28.5,434 0.633,435 55.009,436 1.222,437 50.4,438 0.531,439 39.153,440 0.87,441 8.619,442 0.192,443 13.442,444 0.299,445 0.031,446 0.023,447 0.222,450 0.769,451 1.369,452 0.931,453 1.183,454 0.553,455 1.086,456 1.012,457 1.189,458 1.075,459 1.093,460 0.588,461 1.083,462 0.988,463 1.084,464 1.074,465 1.071,466 0.811,467 1.074,468 1.162,469 1.024,470 0.998,471 0.976,472 1.322,473 0.965,474 1.298,475 0.861,476 0.978,477 0.84,478 1.565,479 0.869,480 1.065,481 1.121,482 1.031,483 1.078,484 1.195,485 1.053,486 1.167,487 0.99,488 0.995,489 0.952,490 1.2,491 0.954,492 1.069,493 0.896,494 0.964,495 0.899,496 1.132,497 0.916,498 8.5,499 0.272,500 4.222,501 2.188,502 2.405,503 1.156,504 0.871,505 0.778,506 0.574,507 0.303,508 41347,509 81607,510 2.155,511 52.6,512 4,513 29,516 2,518 15,520 1.83,521 2.085,522 4.013,523 0.027,527 129.767,528 1.366,529 3.163,530 4.46,531 5.429,532 5.601,533 5.728,534 3.48,535 5.031,536 5.459,537 4.239,538 4196.42,539 9.691,540 82850.4,544 624.136,545 1.154,546 5.448,547 0.17,548 0.005,549 0.062,550 0.032,551 0.038,552 0.018,553 0.013,554 0.011,555 0.008,556 0.004,557 0.362,558 0.17,559 0.63,560 0.322,561 266.282,562 0.007,563 -0.109,564 0.067,565 -0.019,566 0.013,567 0.022,568 -0.002,569 -0.022,570 -0.061,571 -0.034,572 0.045,573 -0.051,574 -0.01,575 -0.025,576 -0.075,577 -0.074,578 0.02,579 -0.081,580 -0.055,581 -0.035,582 0.006,583 -0.02,584 -0.035,585 -0.001,586 0.038,587 0.123,588 0.049,589 0.107,590 0.072,591 0.084,592 -0.047,593 -0.102,594 -0.035,595 -0.078,596 0.009,597 -0.058,598 -0.041,599 -0.009,600 0.009,601 0.011,602 -0.011,603 0.015,604 -0.011,605 0.093,606 0.034,607 0.071,608 -0.027,609 0.058,610 2.113,611 7.062,612 0.733,613 67.413,614 0.986,615 1.128,616 3.905,617 15.248,618 0.641,619 3.932,620 4.234,621 4.489,622 4.718,623 4.92,624 4.913,625 5.024,626 5.147,627 5.257,628 5.278,629 10.002,630 0.593,631 610.92,632 3.932,633 5.468,634 6.308,635 7.172,636 8.027,637 8.896,638 9.758,639 10.63,640 11.497,641 12.372,642 4.2,645 2,648 2,653 2,654 12,659 2,661 17,662 1,670 95,672 19,673 3,674 50,676 100,677 38,678 16,679 4,680 12,681 1,683 6,684 7,691 6,692 2,694 10,696 18,697 20,698 2,699 2,703 2,707 2,713 50,714 7,715 2,716 7,720 4,721 0.833,722 3,732 1,733 5,736 1,742 1,749 2,752 1,753 5,761 45,766 17,767 2,768 1,770 2,771 2,772 1,778 3.2,781 2,782 1,785 21.583,786 16.317,787 9.931,788 6.322,789 2.303,790 1.277,791 0.971,792 11.091,793 10.602,794 4.119,795 4.605,796 5.088,797 5.563,798 6.062,799 6.211,800 6.544,801 6.849,802 7.183,803 7.027,804 0.917,805 68,806 16.899,807 7.291,808 7.498,809 33.609,810 28.919,811 1.998,812 89.917,815 565.013,816 179.271,817 42.27,819 61.29,822 179.271,823 626.303,824 42.27,826 80.651,827 113.715,828 70.699,829 17.766,831 565.013,833 565.013,834 221.541,835 61.29,838 388.446,839 226.856,840 11,841 86.9,842 134.641,845 565.013,846 103.56,847 179.271,850 565.013,851 65.556,852 119.964,853 36.022,854 61.29,855 565.013,856 103.56,857 179.271,859 0.573,860 0.333,861 0.179,862 0.096,863 31,864 12,865 0.12,866 12,867 1,868 1.061,869 5.534,870 460.405,871 0.061,872 33,873 231.133,878 32.036,879 15.579,880 8.666,881 2.127,882 103.56,883 24.269,888 1.826,890 36.022,891 847.844,892 60.5,896 27.569,900 -0.204,902 93.712,903 107.171,904 0.208,905 0.481,906 0.679,907 0.826,908 0.853,909 0.872,910 5.367,911 2.075,912 6.279,913 6.291,914 4.92,915 5.293,916 2.583,917 7.076,918 4.875,919 6.515,920 1.672,921 7.827,922 5.863,923 4.443,924 4.945,925 1.738,926 8.191,927 4.386,928 7.796,929 1.618,930 9.491,931 4.455,932 6.524,933 7.336,934 3.225,935 11.257,936 6.439,937 9.111,938 1.531,939 11.236,940 4.299,941 6.948,942 7.872,943 3.141,944 13.365,945 6.86,946 10.467,947 1.446,948 13.042,949 3.688,950 8.464,951 9.741,952 4.271,953 16.052,954 8.349,955 11.85,956 1.414,957 14.893,958 3.072,959 9.314,960 10.708,961 4.564,962 18.52,963 9.195,964 13.256,965 1.314,966 16.782,967 3.035,968 10.619,969 12.356,970 5.488,971 21.146,972 10.478,973 3.502,974 1.127,975 18.7,976 2.951,977 11.673,978 13.549,979 5.962,980 23.727,981 11.523,982 2.961,983 13.894,984 20.642,985 2.561,986 12.91,987 15.093,988 6.773,989 26.35,990 12.74,991 2.728,992 9.407,993 22.604,994 4.352,995 14.06,996 16.409,997 7.337,998 28.964,999 13.877,1000 2.665,1001 8.119,1002 24.58,1003 3.697,1004 15.283,1005 17.904,1006 8.087,1007 31.591,1008 15.08,1009 2.54,1010 7.793,1011 26.568,1012 3.456,1013 16.479,1014 19.287,1015 8.698,1016 34.217,1017 16.26,1018 2.472,1019 7.753,1020 28.566,1021 3.351,1022 17.705,1023 20.761,1024 9.414,1025 36.846,1026 17.467,1027 2.251,1028 6.949,1029 30.571,1030 2.727,1031 18.925,1032 22.18,1033 10.051,1034 39.475,1035 18.668,1036 37883,1037 53449,1038 34.553,1039 60.898,1040 73.774,1041 75.508,1042 75.305,1043 73.578,1044 73.554,1045 87.935,1046 11.445,1047 204.963,1048 71.885,1049 5.578,1050 6.082,1051 7.429,1052 5.559,1053 5.502,1054 7.352,1055 3.429,1056 21.304,1057 5.438,1058 12.804,1059 1.475,1060 1.51,1061 1.506,1062 1.472,1063 1.471,1064 1.759,1065 0.229,1066 4.099,1067 1.438,1068 4.103,1069 4.128,1070 4.053,1071 4.054,1072 7.433,1073 4.05,1074 3.977,1075 4.022,1076 3.89,1077 3.886,1078 7.424,1079 3.88,1080 3.898,1081 3.956,1082 3.804,1083 3.791,1084 4.892,1085 3.788,1086 3.889,1087 3.929,1088 3.784,1089 3.739,1090 4.754,1091 3.74,1092 3.77,1093 3.829,1094 3.637,1095 3.609,1096 4.615,1097 3.605,1098 3.637,1099 3.702,1100 3.507,1101 3.48,1102 4.389,1103 3.477,1104 3.552,1105 3.582,1106 3.474,1107 3.45,1108 4.336,1109 3.45,1110 3.379,1111 3.453,1112 3.24,1113 3.171,1114 4.267,1115 3.173,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.578,1122 0.087,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.352,1131 1.956,1132 13.894,1133 3.438,1134 2.075,1135 2.057,1136 2.157,1137 2.131,1138 1.443,1139 2.14,1140 1.933,1141 1.901,1142 2.082,1143 2.068,1144 1.38,1145 2.075,1146 1.861,1147 1.803,1148 2.059,1149 2.026,1150 1.288,1151 2.04,1152 1.762,1153 1.709,1154 1.974,1155 1.945,1156 1.263,1157 1.958,1158 1.71,1159 1.661,1160 1.882,1161 1.902,1162 1.211,1163 1.894,1164 1.608,1165 1.55,1166 1.86,1167 1.788,1168 1.193,1169 1.805,1170 1.577,1171 1.507,1172 1.823,1173 1.751,1174 1.1,1175 1.793,1176 1.499,1177 1.465,1178 1.659,1179 1.628,1180 0.853,1181 1.636,1182 4.615,1183 5.922,1184 2.398,1185 7.422,1186 4.595,1187 9.009,1188 6.605,1189 10.639,1197 16.976,1198 6.647,1199 5.542,1201 0.804,1202 5.225,1203 -0.863,1206 56.346,1207 129.767,1208 300.47,1209 423.733,1210 515.772,1211 532.136,1212 544.136,1213 96.78,1214 8.299,1215 73.91,1216 73.91,1217 35,1218 12.913,1219 4.322,1220 3.524,1221 68.302,1222 259,1223 320,1224 0.118,1225 340.811,1226 603.07,1227 823.339,1228 54858,1230 30.901,1231 0.687,1232 0.594,1233 30.901,1234 26.723,1235 22.06,1236 0.441,1237 0.345,1238 17.084,1239 21.453,1240 16.753,1241 13.782,1242 22.06,1243 17.25,1244 19.429,1245 0.286,1246 0.199,1247 19.429,1248 13.506,1249 16.419,1250 0.187,1251 0.117,1252 16.419,1253 10.265,1254 13.533,1255 0.122,1256 0.068,1257 13.533,1258 7.506,1259 10.859,1260 0.08,1261 0.038,1262 10.859,1263 5.214,1264 0.19,1265 136.531,1266 0.17,1267 40.09,1268 0.31,1269 236,1270 543.163,1271 251.911,1272 525.761,1273 719.72,1274 496,1275 274,1276 517.36,1277 290.94,1278 526.86,1279 770.95,1280 498,1281 8.2}
{0 CHEMBL1083846,1 1.489,2 17.4,3 5.92,4 35.048,5 178.223,6 6.906,7 0.32,8 4.599,9 4.725,10 4.104,11 4.124,12 5.536,13 4.081,14 5.22,15 5.408,16 4.481,17 4.566,18 6.116,19 4.491,20 5.561,21 5.802,22 4.52,23 4.736,24 6.415,25 4.607,26 5.639,27 5.91,28 4.471,29 4.715,30 6.466,31 4.575,32 5.602,33 5.865,34 4.511,35 4.687,36 6.549,37 4.565,38 5.599,39 5.844,40 4.51,41 4.743,42 6.482,43 4.619,44 5.702,45 5.97,46 4.54,47 4.795,48 6.535,49 4.653,50 5.654,51 5.919,52 4.508,53 4.793,54 6.472,55 4.652,56 0.054,57 1.307,58 21.385,59 9.061,60 9.087,61 12.49,62 0.396,63 2.215,64 42.547,65 15.471,66 38.919,67 22.004,68 0.816,69 2.829,70 63.586,71 21.354,72 74.102,73 30.816,74 0.677,75 2.898,76 68.994,77 22.364,78 72.747,79 32.729,80 1.034,81 2.781,82 67.656,83 21.381,84 125.952,85 30.947,86 0.756,87 2.884,88 63.867,89 22.045,90 88.402,91 31.729,92 0.911,93 3.099,94 73.327,95 24.195,96 97.717,97 35.273,98 0.733,99 3.034,100 68.512,101 23.901,102 76.469,103 34.56,104 10,105 69,106 0.221,107 0.496,108 0.69,109 0.818,110 0.829,111 0.842,112 3.832,113 1.033,114 -4.55,115 -4.48,116 -4.21,119 39.1,121 9,122 1,125 8,126 1,127 1,132 9,133 2,134 1,141 2,144 2,155 16,158 7,160 2,162 4,163 18,165 2,166 9,168 2,169 1,170 7,173 12,176 7,181 5,183 6,185 2,186 12,189 2,191 6,193 10,195 1,196 10,198 1,200 5,203 15,205 1,206 8,211 4,214 16,217 1,218 12,221 2,223 4,224 19,227 9,231 2,234 16,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 28.695,245 32.291,246 18.444,247 31.392,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 21.484,254 36.593,255 8.836,256 25.652,257 5.035,258 3.181,259 1.873,260 1.008,261 0.935,262 0.848,263 4.543,264 1,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 45.666,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 96.333,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.438,299 4.49,300 3.538,301 6.351,302 4.045,303 3.048,304 3.689,305 1.058,306 9.799,307 3.039,308 3.937,309 3.054,310 5.817,311 3.674,312 2.728,313 3.455,314 0.86,315 7.881,316 2.634,317 3.886,318 3.011,319 5.619,320 3.648,321 2.665,322 3.307,323 0.8,324 7.79,325 2.582,326 3.726,327 2.885,328 5.603,329 3.501,330 2.512,331 2.815,332 0.8,333 7.73,334 2.481,335 3.496,336 2.712,337 5.331,338 3.425,339 2.472,340 2.727,341 0.248,342 6.949,343 2.345,344 3.475,345 2.702,346 5.143,347 3.231,348 2.252,349 2.508,351 6.291,352 2.199,353 3.397,354 2.628,355 4.958,356 2.997,357 2.082,358 2.445,360 5.864,361 1.906,362 3.083,363 2.461,364 4.953,365 2.978,366 2.07,367 2.289,369 5.787,370 1.779,371 3.03,372 2.257,373 4.709,374 2.688,375 1.672,376 2.085,378 4.325,379 1.688,380 2.963,381 1.926,382 4.402,383 2.53,384 1.53,385 2.06,387 4.266,388 1.53,389 2.803,390 1.669,391 4.176,392 2.435,393 1.446,394 1.838,396 3.381,397 1.433,398 2.643,399 1.523,400 3.618,401 2.309,402 1.415,403 1.622,405 3.072,406 1.278,407 2.5,408 1.506,409 3.612,410 2.276,411 1.301,412 1.5,414 3.034,415 1.229,416 2.425,417 1.418,418 3.592,419 2.075,420 1.087,421 1.425,423 2.53,424 1.065,425 21.648,426 0.481,427 0.976,428 0.022,429 46.25,430 1.028,431 17,432 0.378,433 29.25,434 0.65,435 56.679,436 1.26,437 50.952,438 0.554,439 38.04,440 0.845,441 8.342,442 0.185,443 13.612,444 0.302,445 0.064,446 0.023,447 0.245,450 0.753,451 1.418,452 0.774,453 1.163,454 0.545,455 1.062,456 0.946,457 1.226,458 0.889,459 1.066,460 0.563,461 1.052,462 0.922,463 1.067,464 0.992,465 1.043,466 0.783,467 1.062,468 1.035,469 1.021,470 0.861,471 0.935,472 1.204,473 0.935,474 1.066,475 0.891,476 0.841,477 0.853,478 1.39,479 0.869,480 1.018,481 1.089,482 0.851,483 1.005,484 1.189,485 1.018,486 0.956,487 0.969,488 0.808,489 0.914,490 0.989,491 0.93,492 0.855,493 0.947,494 0.825,495 0.925,496 0.947,497 0.946,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 92481,510 2.141,511 51.1,512 4,513 26,516 2,518 15,520 1.83,521 2.053,522 4.013,523 0.071,527 136.985,528 1.489,529 3.342,530 4.651,531 5.515,532 5.589,533 5.676,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 600.168,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,562 -0.009,563 -0.14,564 0.05,565 -0.041,566 0.013,567 0.013,568 -0.012,569 -0.051,570 -0.017,571 -0.04,572 0.068,573 -0.043,574 0.038,575 -0.011,576 -0.062,577 -0.066,578 0.052,579 -0.082,580 -0.056,581 -0.036,582 0.038,583 0.006,584 -0.033,585 0.028,586 0.066,587 0.096,588 0.076,589 0.084,590 0.096,591 0.084,592 -0.005,593 -0.066,594 -0.019,595 -0.043,596 0.009,597 -0.043,598 0.009,599 0.013,600 0.053,601 0.034,602 0.038,603 0.039,604 -0.004,605 0.056,606 0.025,607 0.038,608 -0.011,609 0.037,610 2.191,611 7.018,612 0.711,613 67.404,614 0.994,615 1.129,616 3.323,617 11.045,618 0.646,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.602,631 635.32,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 4.3,645 2,648 2,653 2,654 9,657 1,659 3,661 16,662 1,669 1,670 92,672 18,673 2,674 50,676 97,677 36,678 14,679 4,680 8,681 1,683 6,684 7,685 1,691 6,692 2,694 10,696 16,697 20,698 2,699 2,703 2,707 2,712 1,713 47,714 8,715 2,716 9,717 1,720 4,721 0.833,722 4,732 2,733 4,735 1,742 1,749 2,752 1,753 5,758 1,761 45,766 17,767 2,768 1,770 2,771 2,772 1,777 1,778 4.3,781 2,782 1,783 1,785 21.917,786 15.876,787 9.847,788 6.108,789 2.065,790 1.248,791 0.968,792 11.165,793 10.38,794 4.111,795 4.613,796 5.095,797 5.595,798 6.05,799 6.25,800 6.535,801 6.904,802 6.841,803 6.915,804 0.917,805 67,806 16.894,807 7.345,808 7.571,809 33.29,810 28.629,811 2.071,812 93.194,815 529.7,816 158.869,817 42.27,818 39.149,819 70.797,822 158.869,823 639.645,824 42.27,826 80.651,827 85.286,828 70.699,829 25.015,830 10.285,831 529.7,832 39.149,833 529.7,834 201.14,835 70.797,836 39.149,838 353.133,839 236.364,840 11,841 86.9,842 114.24,843 39.149,845 529.7,846 113.067,847 198.018,850 529.7,851 73.583,852 91.535,853 36.022,854 109.946,855 529.7,856 113.067,857 198.018,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.124,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 231.133,878 32.522,879 15.449,880 8.692,881 1.361,882 113.067,883 17.33,886 5.82,888 1.981,890 36.022,891 840.785,892 60,896 27.409,900 -0.454,902 91.479,903 103.909,904 0.228,905 0.512,906 0.713,907 0.845,908 0.857,909 0.87,910 5.371,911 2.082,912 6.301,913 6.291,914 4.934,915 5.301,916 2.583,917 7.107,918 4.872,919 6.529,920 2.07,921 7.856,922 5.864,923 4.511,924 5.037,925 1.738,926 8.22,927 4.415,928 7.819,929 1.672,930 9.524,931 5.787,932 6.55,933 7.363,934 3.225,935 11.287,936 6.442,937 9.142,938 1.53,939 11.269,940 4.325,941 7.004,942 7.979,943 3.141,944 13.385,945 6.886,946 10.506,947 1.446,948 13.073,949 4.266,950 8.498,951 9.798,952 4.271,953 16.074,954 8.361,955 11.896,956 1.415,957 14.921,958 3.381,959 9.363,960 10.837,961 4.564,962 18.536,963 9.223,964 13.308,965 1.301,966 16.807,967 3.072,968 10.659,969 12.457,970 5.488,971 21.16,972 10.501,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.712,979 5.962,980 23.737,981 11.556,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.248,988 6.773,989 26.359,990 12.772,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.616,997 7.337,998 28.971,999 13.913,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.118,1006 8.087,1007 31.596,1008 15.117,1009 2.512,1010 7.79,1011 26.582,1012 3.455,1013 16.522,1014 19.544,1015 8.698,1016 34.221,1017 16.299,1018 2.472,1019 7.73,1020 28.578,1021 3.307,1022 17.745,1023 21.034,1024 9.414,1025 36.849,1026 17.505,1027 2.252,1028 6.949,1029 30.582,1030 2.815,1031 18.964,1032 22.49,1033 10.051,1034 39.477,1035 18.707,1036 37805,1037 57137,1038 34.265,1039 59.449,1040 74.428,1041 76.13,1042 75.871,1043 74.276,1044 74.055,1045 88.015,1046 11.445,1047 209.146,1048 71.537,1049 5.589,1050 6.082,1051 7.429,1052 5.56,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.438,1058 16.243,1059 1.489,1060 1.523,1061 1.517,1062 1.486,1063 1.481,1064 1.76,1065 0.229,1066 4.183,1067 1.431,1068 4.115,1069 4.125,1070 4.133,1071 4.016,1072 7.434,1073 4.027,1074 3.979,1075 4.021,1076 3.897,1077 3.885,1078 7.424,1079 3.879,1080 3.897,1081 3.955,1082 3.811,1083 3.79,1084 5.139,1085 3.787,1086 3.888,1087 3.928,1088 3.784,1089 3.739,1090 4.756,1091 3.74,1092 3.77,1093 3.829,1094 3.67,1095 3.608,1096 4.749,1097 3.605,1098 3.637,1099 3.702,1100 3.636,1101 3.48,1102 4.616,1103 3.476,1104 3.5,1105 3.518,1106 3.499,1107 3.36,1108 4.388,1109 3.372,1110 3.378,1111 3.449,1112 3.253,1113 3.169,1114 4.314,1115 3.172,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.438,1134 1.933,1135 1.901,1136 2.082,1137 2.068,1138 1.443,1139 2.075,1140 1.909,1141 1.896,1142 2.059,1143 2.028,1144 1.38,1145 2.04,1146 1.861,1147 1.803,1148 1.975,1149 1.976,1150 1.264,1151 1.981,1152 1.763,1153 1.712,1154 1.974,1155 1.946,1156 1.211,1157 1.959,1158 1.715,1159 1.668,1160 1.883,1161 1.918,1162 1.198,1163 1.903,1164 1.61,1165 1.553,1166 1.86,1167 1.799,1168 1.116,1169 1.811,1170 1.577,1171 1.507,1172 1.825,1173 1.751,1174 1.1,1175 1.793,1176 1.45,1177 1.439,1178 1.596,1179 1.653,1180 0.853,1181 1.623,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1192 6.131,1197 16.579,1198 6.487,1199 5.535,1201 0.76,1202 5.196,1203 -0.941,1206 55.362,1207 136.985,1208 307.482,1209 427.864,1210 507.413,1211 514.168,1212 522.168,1213 101.539,1214 8.315,1215 87.05,1216 87.05,1217 34,1218 12.965,1219 4.248,1220 3.459,1221 68.312,1222 259,1223 320,1224 0.118,1225 336.883,1226 595.11,1227 813.754,1228 55250,1229 1.1,1230 31.064,1231 0.69,1232 0.601,1233 31.564,1234 27.033,1235 21.954,1236 0.439,1237 0.344,1238 16.684,1239 20.921,1240 16.357,1241 13.405,1242 22.243,1243 17.225,1244 19.721,1245 0.286,1246 0.198,1247 20.129,1248 13.673,1249 16.452,1250 0.185,1251 0.115,1252 16.714,1253 10.191,1254 13.606,1255 0.119,1256 0.066,1257 13.84,1258 7.471,1259 10.838,1260 0.079,1261 0.037,1262 11.089,1263 5.12,1264 0.19,1265 139.886,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 607.101,1271 273.638,1272 606.978,1273 816.13,1274 570,1275 277,1276 566.495,1277 308.516,1278 579.274,1279 851.27,1280 547,1281 7.6}
{0 CHEMBL1083847,1 1.433,2 17.891,3 5.239,4 27.45,5 179.881,6 6.572,7 0.314,8 4.641,9 4.768,10 4.104,11 4.137,12 5.582,13 4.1,14 5.26,15 5.451,16 4.459,17 4.57,18 6.147,19 4.502,20 5.58,21 5.82,22 4.507,23 4.744,24 6.431,25 4.625,26 5.673,27 5.942,28 4.462,29 4.743,30 6.497,31 4.608,32 5.653,33 5.918,34 4.497,35 4.724,36 6.581,37 4.601,38 5.641,39 5.887,40 4.525,41 4.776,42 6.52,43 4.652,44 5.736,45 6.004,46 4.513,47 4.813,48 6.558,49 4.672,50 5.673,51 5.935,52 4.519,53 4.803,54 6.507,55 4.669,56 0.064,57 1.365,58 23.052,59 9.441,60 10.74,61 13.135,62 0.462,63 2.283,64 44.526,65 15.686,66 41.779,67 22.676,68 0.826,69 2.899,70 62.086,71 21.102,72 71.964,73 31.092,74 0.683,75 3.004,76 68.37,77 22.373,78 71.284,79 33.559,80 1.075,81 2.912,82 67.732,83 21.844,84 124.862,85 32.458,86 0.77,87 2.988,88 66.034,89 22.549,90 88.974,91 33.089,92 1,93 3.17,94 73.138,95 24.276,96 95.062,97 36.042,98 0.739,99 3.085,100 67.964,101 23.564,102 76.914,103 34.724,104 11,105 70,106 0.211,107 0.49,108 0.698,109 0.82,110 0.83,111 0.842,112 3.853,113 1.016,114 -3.81,115 -3.78,116 -3.59,119 38.5,121 9,122 1,124 1,125 8,126 1,127 1,132 9,133 2,134 1,141 2,144 2,155 16,158 9,160 2,162 4,163 16,165 2,166 11,168 2,169 1,170 7,173 10,176 8,181 5,183 5,185 3,186 11,189 2,191 6,193 10,195 1,196 10,198 1,200 5,203 15,205 2,206 7,209 1,211 3,214 16,217 1,218 12,221 2,223 4,224 19,227 11,231 2,234 14,238 5760,239 31.686,240 31.686,241 31.686,242 31.686,243 31.686,244 29.618,245 35.003,246 18.946,247 32.305,248 25.158,249 25.158,250 25.158,251 25.158,252 25.158,253 21.907,254 40.603,255 8.983,256 26,257 5.152,258 3.257,259 1.844,260 1.016,261 0.945,262 0.862,263 4.564,267 1,268 1812,269 4.899,271 284.642,272 747.285,274 247.707,277 2.756,278 45.663,280 0.75,281 0.33,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.69,288 99,289 823,290 4.59,291 4.082,292 7.627,293 4.485,294 3.502,295 4.456,296 1.956,297 13.894,298 3.438,299 4.492,300 3.538,301 6.354,302 4.051,303 3.052,304 3.69,305 1.058,306 9.815,307 3.049,308 3.938,309 3.012,310 5.826,311 3.674,312 2.728,313 3.455,314 0.86,315 7.929,316 2.635,317 3.902,318 3.009,319 5.619,320 3.649,321 2.665,322 3.326,323 0.86,324 7.791,325 2.582,326 3.726,327 2.883,328 5.603,329 3.532,330 2.54,331 2.867,332 0.8,333 7.742,334 2.519,335 3.545,336 2.708,337 5.331,338 3.425,339 2.472,340 2.727,341 0.8,342 6.949,343 2.345,344 3.484,345 2.702,346 5.218,347 3.233,348 2.255,349 2.509,350 0.248,351 6.455,352 2.2,353 3.4,354 2.595,355 5.14,356 3.125,357 2.165,358 2.445,360 6.28,361 2.06,362 3.083,363 2.461,364 4.954,365 2.995,366 2.074,367 2.289,369 5.863,370 1.906,371 3.03,372 2.257,373 4.71,374 2.688,375 1.672,376 2.085,378 4.328,379 1.689,380 2.964,381 1.926,382 4.413,383 2.53,384 1.53,385 2.06,387 4.282,388 1.53,389 2.803,390 1.68,391 4.181,392 2.435,393 1.446,394 1.838,396 3.4,397 1.433,398 2.651,399 1.523,400 3.618,401 2.312,402 1.415,403 1.631,405 3.072,406 1.289,407 2.5,408 1.511,409 3.612,410 2.282,411 1.306,412 1.5,414 3.034,415 1.231,416 2.426,417 1.418,418 3.592,419 2.081,420 1.092,421 1.425,423 2.533,424 1.073,425 21.767,426 0.473,427 0.938,428 0.02,429 47.5,430 1.033,431 17.5,432 0.38,433 30,434 0.652,435 57.27,436 1.245,437 52.633,438 0.548,439 40.262,440 0.875,441 8.754,442 0.19,443 13.738,444 0.299,445 0.054,446 0.023,447 0.243,450 0.803,451 1.453,452 0.898,453 1.261,454 0.571,455 1.112,456 1.06,457 1.195,458 1.03,459 1.086,460 0.617,461 1.05,462 0.929,463 1.078,464 1.061,465 1.071,466 0.797,467 1.076,468 1.014,469 1.048,470 0.977,471 0.997,472 1.237,473 0.977,474 1.016,475 0.897,476 0.935,477 0.875,478 1.401,479 0.886,480 0.995,481 1.105,482 1.025,483 1.069,484 1.222,485 1.051,486 1,487 0.958,488 0.977,489 0.926,490 1.057,491 0.944,492 0.873,493 0.977,494 0.949,495 0.97,496 1.026,497 0.967,498 9.5,499 0.27,500 4.222,501 2.604,502 2.588,503 1.094,504 1.142,505 0.789,506 0.546,507 0.402,508 43559,509 92628,510 2.138,511 52.1,512 4,513 29,516 2,518 15,520 1.835,521 2.052,522 4.052,523 0.062,527 137.604,528 1.433,529 3.328,530 4.741,531 5.569,532 5.64,533 5.723,534 3.585,535 4.969,536 5.49,537 4.274,538 4423.99,539 9.754,540 88884,544 632.156,545 1.254,546 5.473,547 0.186,548 0.004,549 0.06,550 0.038,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.386,558 0.33,559 0.63,560 0.497,561 274.104,562 -0.004,563 -0.162,564 0.074,565 -0.064,566 0.018,567 0.004,568 -0.036,569 -0.024,570 -0.026,571 -0.021,572 0.055,573 -0.021,574 0.035,575 -0.01,576 -0.068,577 -0.069,578 0.056,579 -0.081,580 -0.055,581 -0.054,582 0.013,583 -0.031,584 -0.041,585 -0.001,586 0.076,587 0.089,588 0.073,589 0.08,590 0.097,591 0.078,593 -0.08,594 -0.032,595 -0.067,596 0.012,597 -0.056,598 0.003,599 0.022,600 0.016,601 0.042,602 0.017,603 0.032,604 -0.005,605 0.035,606 0.028,607 0.022,609 0.028,610 2.191,611 7.058,612 0.696,613 71.168,614 0.993,615 1.131,616 2.584,617 6.679,618 0.633,619 3.951,620 4.263,621 4.522,622 4.762,623 4.956,624 4.984,625 5.1,626 5.252,627 5.288,628 5.352,629 10.21,630 0.591,631 630.91,632 3.951,633 5.493,634 6.337,635 7.207,636 8.067,637 8.943,638 9.812,639 10.691,640 11.565,641 12.447,642 4.2,645 2,648 2,653 2,654 9,657 1,659 3,661 16,662 1,668 1,670 96,672 18,673 2,674 51,676 101,677 37,678 14,679 4,680 8,681 1,683 6,684 7,691 6,692 2,694 10,696 16,697 21,698 2,699 2,703 2,707 2,712 1,713 50,714 9,715 2,716 9,720 4,721 0.833,722 5,732 2,733 4,735 1,742 1,749 2,752 1,753 5,757 1,761 46,766 17,767 2,768 2,770 2,771 2,772 1,778 5.2,781 2,782 1,783 2,785 22.417,786 16.9,787 10.181,788 6.281,789 2.094,790 1.25,791 0.96,792 11.468,793 10.478,794 4.127,795 4.623,796 5.113,797 5.612,798 6.073,799 6.297,800 6.606,801 6.978,802 6.955,803 7.024,804 1,805 69,806 17.266,807 7.451,808 7.556,809 34.039,810 29.039,811 2.056,812 94.583,815 565.013,816 171.495,817 42.27,819 81.797,822 171.495,823 646.81,824 42.27,825 10.883,826 80.651,827 85.286,828 70.699,829 37.758,830 10.285,831 565.013,833 565.013,834 213.765,835 81.797,838 388.446,839 247.364,840 11,841 86.9,842 126.866,845 565.013,846 124.067,847 171.495,850 565.013,851 75.326,852 102.418,853 36.022,854 81.797,855 565.013,856 124.067,857 171.495,859 0.574,860 0.335,861 0.18,862 0.097,863 32,864 13,865 0.129,866 13,867 1,868 1.063,869 5.586,870 474.898,871 0.063,872 32,873 238.084,878 33.172,879 15.903,880 8.798,881 1.401,882 124.067,883 17.541,886 5.868,888 2.108,890 36.022,891 860.575,892 61,896 27.52,900 -0.443,902 95.367,903 108.59,904 0.218,905 0.505,906 0.72,907 0.846,908 0.856,909 0.869,910 5.384,911 2.165,912 6.315,913 6.455,914 4.949,915 5.311,916 2.689,917 7.122,918 4.894,919 6.54,920 2.074,921 7.871,922 6.28,923 4.511,924 5.037,925 1.738,926 8.235,927 4.444,928 7.828,929 1.672,930 9.539,931 5.863,932 6.564,933 7.372,934 3.268,935 11.3,936 6.466,937 9.151,938 1.53,939 11.284,940 4.328,941 7.013,942 7.986,943 3.141,944 13.394,945 6.913,946 10.515,947 1.446,948 13.086,949 4.282,950 8.51,951 9.807,952 4.282,953 16.08,954 8.383,955 11.906,956 1.415,957 14.934,958 3.4,959 9.373,960 10.845,961 4.564,962 18.539,963 9.244,964 13.318,965 1.306,966 16.818,967 3.072,968 10.669,969 12.465,970 5.49,971 21.163,972 10.519,973 3.502,974 1.092,975 18.732,976 3.034,977 11.728,978 13.72,979 5.962,980 23.739,981 11.572,982 3.052,983 13.894,984 20.669,985 2.533,986 12.96,987 15.256,988 6.774,989 26.36,990 12.786,991 2.728,992 9.815,993 22.627,994 4.456,995 14.112,996 16.623,997 7.337,998 28.972,999 13.926,1000 2.665,1001 7.929,1002 24.6,1003 3.69,1004 15.331,1005 18.125,1006 8.087,1007 31.597,1008 15.129,1009 2.54,1010 7.791,1011 26.586,1012 3.455,1013 16.527,1014 19.551,1015 8.698,1016 34.221,1017 16.309,1018 2.472,1019 7.742,1020 28.581,1021 3.326,1022 17.75,1023 21.041,1024 9.414,1025 36.849,1026 17.515,1027 2.255,1028 6.949,1029 30.584,1030 2.867,1031 18.968,1032 22.498,1033 10.051,1034 39.478,1035 18.716,1036 40140,1037 58898,1038 34.959,1039 60.807,1040 75.555,1041 77.275,1042 77.28,1043 75.159,1044 75.189,1045 89.125,1046 13.165,1047 211.947,1048 73.027,1049 5.59,1050 6.082,1051 7.429,1052 5.56,1053 5.502,1054 7.456,1055 3.429,1056 21.313,1057 5.438,1058 16.551,1059 1.481,1060 1.515,1061 1.515,1062 1.474,1063 1.474,1064 1.748,1065 0.258,1066 4.156,1067 1.432,1068 4.117,1069 4.127,1070 4.084,1071 4.009,1072 7.434,1073 4.024,1074 3.978,1075 4.021,1076 3.891,1077 3.884,1078 7.424,1079 3.879,1080 3.898,1081 3.955,1082 3.803,1083 3.789,1084 5.121,1085 3.786,1086 3.888,1087 3.928,1088 3.784,1089 3.739,1090 4.755,1091 3.74,1092 3.77,1093 3.829,1094 3.637,1095 3.608,1096 4.683,1097 3.605,1098 3.637,1099 3.702,1100 3.504,1101 3.48,1102 4.615,1103 3.476,1104 3.53,1105 3.546,1106 3.466,1107 3.35,1108 4.388,1109 3.375,1110 3.379,1111 3.452,1112 3.24,1113 3.169,1114 4.314,1115 3.172,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.59,1122 0.087,1123 4.082,1124 0.038,1125 7.627,1126 0.272,1127 4.485,1128 0.067,1129 3.502,1130 4.456,1131 1.956,1132 13.894,1133 3.438,1134 1.933,1135 1.901,1136 2.082,1137 2.068,1138 1.443,1139 2.075,1140 1.909,1141 1.896,1142 2.059,1143 2.028,1144 1.38,1145 2.04,1146 1.861,1147 1.803,1148 1.992,1149 1.999,1150 1.264,1151 1.995,1152 1.763,1153 1.712,1154 1.974,1155 1.946,1156 1.211,1157 1.959,1158 1.715,1159 1.668,1160 1.883,1161 1.918,1162 1.198,1163 1.903,1164 1.61,1165 1.553,1166 1.86,1167 1.799,1168 1.119,1169 1.811,1170 1.577,1171 1.507,1172 1.825,1173 1.751,1174 1.1,1175 1.793,1176 1.45,1177 1.439,1178 1.596,1179 1.653,1180 0.853,1181 1.623,1182 4.635,1183 5.948,1184 3.045,1185 7.448,1186 5.352,1187 9.031,1188 7.424,1189 10.658,1191 1.61,1197 16.593,1198 6.512,1199 10.854,1201 0.76,1202 5.2,1203 -0.941,1206 56.776,1207 137.604,1208 319.457,1209 455.098,1210 534.647,1211 541.402,1212 549.402,1213 103.07,1214 8.384,1215 96.28,1216 96.28,1217 34,1218 12.984,1219 4.248,1220 3.459,1221 70.649,1222 271,1223 332,1224 0.117,1225 342.139,1226 605.99,1227 826.578,1228 60397,1230 31.771,1231 0.691,1232 0.594,1233 31.771,1234 27.307,1235 22.492,1236 0.441,1237 0.339,1238 17.035,1239 21.611,1240 16.699,1241 13.732,1242 22.492,1243 17.27,1244 19.89,1245 0.284,1246 0.192,1247 19.89,1248 13.458,1249 16.876,1250 0.185,1251 0.112,1252 16.876,1253 10.201,1254 13.839,1255 0.119,1256 0.064,1257 13.839,1258 7.425,1259 11.022,1260 0.078,1261 0.036,1262 11.022,1263 5.081,1264 0.189,1265 141.054,1266 0.169,1267 40.793,1268 0.308,1269 242,1270 628.634,1271 264.997,1272 591.187,1273 805.13,1274 558,1275 282,1276 580.178,1277 306.415,1278 583.302,1279 855.5,1280 549,1281 7.4}
{0 CHEMBL1083848,1 1.402,2 17.4,3 5.742,4 32.969,5 178.459,6 6.473,7 0.32,8 4.625,9 4.756,10 4.076,11 4.139,12 5.546,13 4.093,14 5.247,15 5.442,16 4.439,17 4.577,18 6.115,19 4.5,20 5.578,21 5.822,22 4.479,23 4.75,24 6.415,25 4.621,26 5.674,27 5.951,28 4.429,29 4.737,30 6.477,31 4.593,32 5.629,33 5.896,34 4.464,35 4.708,36 6.551,37 4.582,38 5.632,39 5.879,40 4.495,41 4.759,42 6.505,43 4.634,44 5.709,45 5.978,46 4.489,47 4.802,48 6.513,49 4.659,50 5.677,51 5.942,52 4.492,53 4.801,54 6.509,55 4.662,56 0.081,57 1.356,58 22.952,59 9.418,60 10.277,61 13.245,62 0.427,63 2.292,64 43.949,65 15.827,66 37.849,67 23.065,68 0.799,69 2.925,70 61.818,71 21.385,72 69.723,73 31.592,74 0.669,75 3.016,76 68.167,77 22.58,78 68.25,79 33.906,80 0.931,81 2.877,82 65.772,83 21.517,84 117.996,85 31.899,86 0.817,87 2.955,88 65.592,89 22.245,90 88.502,91 32.576,92 0.765,93 3.142,94 70.559,95 23.934,96 79.893,97 35.496,98 0.784,99 3.101,100 68.238,101 23.541,102 80.739,103 34.691,104 10,105 69,106 0.207,107 0.48,108 0.69,109 0.813,110 0.828,111 0.84,112 3.832,113 1.029,114 -4.29,115 -4.22,116 -3.99,119 38.9,120 1,121 9,122 1,125 8,126 1,127 1,132 9,133 3,141 2,144 2,155 19,158 7,160 2,162 4,163 20,165 2,166 9,168 2,169 1,170 7,173 13,176 8,181 5,183 6,185 2,186 12,189 2,191 6,193 10,195 1,196 11,198 1,200 6,203 15,205 1,206 8,211 4,214 16,217 1,218 12,221 2,223 4,224 21,227 10,231 3,234 18,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 28.695,245 33.116,246 18.444,247 31.256,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 21.484,254 37.423,255 8.836,256 25.384,257 5.168,258 3.313,259 1.893,260 1.055,261 0.955,262 0.871,263 4.543,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 42.122,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 96,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.438,299 4.49,300 3.538,301 6.351,302 4.05,303 3.048,304 3.689,305 1.058,306 9.799,307 3.054,308 3.937,309 3.011,310 5.817,311 3.674,312 2.728,313 3.455,314 0.86,315 7.881,316 2.635,317 3.886,318 2.957,319 5.619,320 3.649,321 2.665,322 3.307,323 0.8,324 7.79,325 2.582,326 3.726,327 2.879,328 5.603,329 3.523,330 2.512,331 2.815,332 0.8,333 7.73,334 2.532,335 3.496,336 2.705,337 5.331,338 3.425,339 2.472,340 2.727,341 0.248,342 6.949,343 2.345,344 3.475,345 2.699,346 5.143,347 3.232,348 2.252,349 2.508,351 6.291,352 2.201,353 3.397,354 2.461,355 4.958,356 3.082,357 2.082,358 2.445,360 5.864,361 2.083,362 3.083,363 2.363,364 4.953,365 2.995,366 2.07,367 2.289,369 5.787,370 1.906,371 3.03,372 2.257,373 4.709,374 2.688,375 1.672,376 2.085,378 4.325,379 1.689,380 2.963,381 1.926,382 4.402,383 2.53,384 1.53,385 2.06,387 4.266,388 1.53,389 2.803,390 1.646,391 4.176,392 2.435,393 1.446,394 1.838,396 3.381,397 1.433,398 2.643,399 1.523,400 3.618,401 2.311,402 1.415,403 1.622,405 3.072,406 1.287,407 2.5,408 1.5,409 3.612,410 2.279,411 1.301,412 1.5,414 3.034,415 1.231,416 2.425,417 1.418,418 3.592,419 2.078,420 1.087,421 1.425,423 2.53,424 1.071,425 21.433,426 0.476,427 0.976,428 0.022,429 46,430 1.022,431 17,432 0.378,433 29,434 0.644,435 56.806,436 1.262,437 51.167,438 0.539,439 37.914,440 0.843,441 8.31,442 0.185,443 13.644,444 0.303,445 0.054,446 0.023,447 0.247,450 0.787,451 1.422,452 0.918,453 1.231,454 0.567,455 1.106,456 0.991,457 1.205,458 1.026,459 1.101,460 0.578,461 1.064,462 0.939,463 1.091,464 1.082,465 1.088,466 0.799,467 1.094,468 1.075,469 1.017,470 0.968,471 0.964,472 1.246,473 0.949,474 1.158,475 0.912,476 0.96,477 0.888,478 1.467,479 0.894,480 1.21,481 1.07,482 1.062,483 1.031,484 1.296,485 1.028,486 1.101,487 0.993,488 0.985,489 0.948,490 1.107,491 0.951,492 1.045,493 0.933,494 0.995,495 0.935,496 1.204,497 0.953,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 83079,510 2.141,511 52.6,512 7,513 26,516 2,518 15,520 1.83,521 2.053,522 4.013,523 0.049,527 133.194,528 1.402,529 3.257,530 4.677,531 5.514,532 5.615,533 5.699,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 624.136,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,562 0.002,563 -0.137,564 0.071,565 -0.042,566 0.01,567 0.014,568 0.003,569 -0.033,570 -0.017,571 -0.034,572 0.067,573 -0.028,574 0.058,575 -0.025,576 -0.082,577 -0.087,578 0.053,579 -0.1,580 -0.05,581 -0.034,582 0.029,583 -0.009,584 -0.034,585 0.018,586 0.042,587 0.077,588 0.059,589 0.066,590 0.092,591 0.066,592 -0.022,593 -0.055,594 -0.046,595 -0.042,596 0.002,597 -0.046,598 -0.051,599 -0.008,600 0.013,601 0.022,602 -0.01,603 0.025,604 -0.035,605 0.074,606 0.001,607 0.043,608 -0.042,609 0.029,610 2.165,611 7.036,612 0.711,613 67.404,614 0.99,615 1.13,616 3.055,617 9.335,618 0.635,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.59,631 614.91,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 4.2,645 2,648 2,653 2,654 9,657 1,659 3,661 16,662 1,670 95,672 18,673 2,674 50,676 100,677 37,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 6,692 2,694 10,696 16,697 21,698 2,699 2,703 2,707 2,712 1,713 50,714 8,715 2,716 8,720 4,721 0.833,722 4,732 2,733 4,735 1,742 1,749 2,752 1,753 5,757 1,761 45,766 17,767 2,768 1,770 2,771 2,772 1,778 4.2,781 2,782 1,783 1,785 21.917,786 16.733,787 9.847,788 6.322,789 2.065,790 1.248,791 0.966,792 10.934,793 10.38,794 4.111,795 4.613,796 5.095,797 5.595,798 6.05,799 6.25,800 6.535,801 6.904,802 6.841,803 6.915,804 0.917,805 67,806 16.909,807 7.319,808 7.524,809 33.504,810 28.795,811 2.024,812 91.083,815 565.013,816 167.38,817 42.27,819 70.797,822 167.38,823 635.81,824 42.27,825 8.825,826 80.651,827 85.286,828 70.699,829 24.7,830 10.285,831 565.013,833 565.013,834 209.65,835 70.797,838 388.446,839 236.364,840 11,841 95.725,842 113.925,845 565.013,846 113.067,847 167.38,850 565.013,851 73.268,852 100.36,853 36.022,854 70.797,855 565.013,856 113.067,857 167.38,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.12,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 231.133,878 32.248,879 15.258,880 8.564,881 1.577,882 113.067,883 18.058,886 5.879,888 2.578,890 36.022,891 845.46,892 60,896 27.46,900 -0.389,902 94.039,903 107.38,904 0.213,905 0.496,906 0.712,907 0.839,908 0.855,909 0.867,910 5.371,911 2.082,912 6.301,913 6.291,914 4.934,915 5.301,916 2.583,917 7.107,918 4.89,919 6.529,920 2.07,921 7.856,922 5.864,923 4.511,924 5.037,925 1.738,926 8.22,927 4.458,928 7.819,929 1.672,930 9.524,931 5.787,932 6.55,933 7.363,934 3.225,935 11.287,936 6.468,937 9.142,938 1.53,939 11.269,940 4.325,941 7.004,942 7.979,943 3.141,944 13.385,945 6.921,946 10.506,947 1.446,948 13.073,949 4.266,950 8.498,951 9.798,952 4.271,953 16.074,954 8.387,955 11.896,956 1.415,957 14.921,958 3.381,959 9.363,960 10.837,961 4.564,962 18.536,963 9.25,964 13.308,965 1.301,966 16.807,967 3.072,968 10.659,969 12.457,970 5.488,971 21.16,972 10.524,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.712,979 5.962,980 23.737,981 11.577,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.248,988 6.773,989 26.359,990 12.791,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.616,997 7.337,998 28.971,999 13.931,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.118,1006 8.087,1007 31.596,1008 15.133,1009 2.512,1010 7.79,1011 26.582,1012 3.455,1013 16.522,1014 19.544,1015 8.698,1016 34.221,1017 16.313,1018 2.472,1019 7.73,1020 28.578,1021 3.307,1022 17.745,1023 21.034,1024 9.414,1025 36.849,1026 17.519,1027 2.252,1028 6.949,1029 30.582,1030 2.815,1031 18.964,1032 22.49,1033 10.051,1034 39.477,1035 18.719,1036 37805,1037 53993,1038 34.265,1039 60.353,1040 74.428,1041 75.921,1042 75.871,1043 74.08,1044 74.055,1045 88.015,1046 11.445,1047 209.146,1048 72.385,1049 5.589,1050 6.082,1051 7.429,1052 5.56,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.438,1058 16.243,1059 1.489,1060 1.518,1061 1.517,1062 1.482,1063 1.481,1064 1.76,1065 0.229,1066 4.183,1067 1.448,1068 4.122,1069 4.133,1070 4.085,1071 4.022,1072 7.434,1073 4.034,1074 3.979,1075 4.023,1076 3.891,1077 3.885,1078 7.424,1079 3.879,1080 3.898,1081 3.956,1082 3.803,1083 3.79,1084 5.106,1085 3.787,1086 3.889,1087 3.928,1088 3.784,1089 3.739,1090 4.755,1091 3.74,1092 3.77,1093 3.829,1094 3.637,1095 3.609,1096 4.616,1097 3.605,1098 3.637,1099 3.702,1100 3.505,1101 3.48,1102 4.399,1103 3.476,1104 3.546,1105 3.575,1106 3.467,1107 3.402,1108 4.388,1109 3.414,1110 3.38,1111 3.453,1112 3.24,1113 3.17,1114 4.309,1115 3.173,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.438,1134 1.939,1135 1.92,1136 2.082,1137 2.068,1138 1.443,1139 2.075,1140 1.933,1141 1.901,1142 2.059,1143 2.028,1144 1.38,1145 2.04,1146 1.861,1147 1.803,1148 2.041,1149 2.014,1150 1.264,1151 2.022,1152 1.763,1153 1.712,1154 1.974,1155 1.946,1156 1.211,1157 1.959,1158 1.715,1159 1.668,1160 1.883,1161 1.918,1162 1.198,1163 1.903,1164 1.61,1165 1.553,1166 1.86,1167 1.799,1168 1.174,1169 1.811,1170 1.577,1171 1.507,1172 1.825,1173 1.751,1174 1.1,1175 1.793,1176 1.452,1177 1.439,1178 1.597,1179 1.653,1180 0.853,1181 1.623,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.019,1197 16.751,1198 6.538,1199 5.539,1201 0.779,1202 5.21,1203 -0.915,1206 56.061,1207 133.194,1208 309.437,1209 444.323,1210 523.872,1211 533.381,1212 541.381,1213 99.212,1214 8.315,1215 87.05,1216 87.05,1217 34,1218 12.965,1219 4.248,1220 3.459,1221 68.312,1222 259,1223 320,1224 0.118,1225 338.142,1226 597.2,1227 816.827,1228 55250,1230 31.064,1231 0.69,1232 0.598,1233 31.064,1234 26.899,1235 21.954,1236 0.439,1237 0.343,1238 16.965,1239 21.23,1240 16.6,1241 13.663,1242 21.954,1243 17.158,1244 19.721,1245 0.286,1246 0.197,1247 19.721,1248 13.596,1249 16.452,1250 0.185,1251 0.114,1252 16.452,1253 10.149,1254 13.606,1255 0.119,1256 0.065,1257 13.606,1258 7.439,1259 10.838,1260 0.079,1261 0.037,1262 10.838,1263 5.095,1264 0.19,1265 136.711,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 580.898,1271 258.118,1272 553.743,1273 757.33,1274 522,1275 277,1276 549.633,1277 298.757,1278 554.482,1279 814.13,1280 523,1281 8.7}
{0 CHEMBL1083849,1 1.448,2 16.909,3 5.814,4 33.801,5 179.861,6 6.706,7 0.327,8 4.591,9 4.721,10 4.101,11 4.149,12 5.499,13 4.083,14 5.211,15 5.403,16 4.477,17 4.597,18 6.065,19 4.493,20 5.55,21 5.797,22 4.521,23 4.755,24 6.344,25 4.605,26 5.631,27 5.906,28 4.436,29 4.73,30 6.43,31 4.569,32 5.594,33 5.862,34 4.48,35 4.71,36 6.508,37 4.564,38 5.59,39 5.836,40 4.549,41 4.783,42 6.436,43 4.632,44 5.694,45 5.965,46 4.482,47 4.815,48 6.477,49 4.652,50 5.649,51 5.917,52 4.505,53 4.807,54 6.454,55 4.652,56 0.085,57 1.331,58 22.566,59 9.454,60 9.874,61 12.935,62 0.417,63 2.291,64 44.119,65 16.351,66 35.39,67 22.774,68 0.647,69 2.961,70 64.631,71 22.206,72 54.36,73 31.445,74 0.611,75 3.02,76 69.177,77 23.43,78 62.817,79 33.348,80 0.911,81 2.892,82 66.617,83 22.324,84 114.631,85 31.508,86 0.581,87 3.021,88 68.728,89 23.644,90 72.454,91 32.821,92 0.715,93 3.218,94 74.148,95 25.652,96 74.956,97 36.159,98 0.692,99 3.12,100 68.372,101 24.603,102 70.248,103 34.951,104 5,105 67,106 0.215,107 0.481,108 0.671,109 0.807,110 0.829,111 0.842,112 3.81,113 1.075,114 -4.86,115 -4.77,116 -4.47,119 39.1,121 9,122 1,125 8,126 1,127 1,132 10,133 2,141 2,144 2,155 18,158 4,160 2,162 4,163 21,165 1,166 8,168 1,169 1,170 8,173 13,176 7,181 5,183 6,185 2,186 9,189 2,191 6,193 12,196 10,200 7,203 17,205 1,206 7,211 3,214 16,217 1,218 10,221 2,223 4,224 23,227 8,231 3,234 18,238 5144,239 30.368,240 30.368,241 30.368,242 30.368,243 30.368,244 28.272,245 30.69,246 18.308,247 30.972,248 24.247,249 24.247,250 24.247,251 24.247,252 24.247,253 21.071,254 35.952,255 8.757,256 25.21,257 5.076,258 3.283,259 1.998,260 1.083,261 0.935,262 0.848,263 4.523,267 1,268 1650,269 4.743,271 271.326,272 711.921,274 237.875,277 2.455,278 37.834,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 93,289 744,290 4.586,291 4.082,292 7.627,293 4.485,294 3.502,295 4.425,296 1.956,297 13.894,298 3.436,299 4.47,300 3.537,301 6.335,302 3.968,303 3.025,304 3.686,305 1.058,306 9.734,307 2.847,308 3.935,309 3.011,310 5.796,311 3.674,312 2.728,313 3.455,314 0.86,315 7.823,316 2.634,317 3.828,318 2.909,319 5.619,320 3.648,321 2.664,322 3.21,323 0.8,324 7.786,325 2.582,326 3.726,327 2.862,328 5.603,329 3.434,330 2.472,331 2.727,332 0.8,333 7.686,334 2.406,335 3.486,336 2.704,337 5.331,338 3.425,339 2.441,340 2.512,341 0.248,342 6.949,343 2.345,344 3.405,345 2.697,346 5.142,347 3.228,348 2.249,349 2.448,351 6.289,352 2.197,353 3.084,354 2.461,355 4.954,356 2.995,357 2.075,358 2.298,360 5.863,361 1.906,362 3.032,363 2.257,364 4.711,365 2.688,366 1.672,367 2.207,369 4.312,370 1.689,371 3.01,372 1.926,373 4.414,374 2.516,375 1.532,376 2.084,378 4.312,379 1.51,380 2.948,381 1.782,382 4.197,383 2.457,384 1.512,385 2.052,387 3.569,388 1.433,389 2.802,390 1.532,391 3.626,392 2.434,393 1.446,394 1.834,396 3.072,397 1.398,398 2.585,399 1.523,400 3.618,401 2.303,402 1.414,403 1.559,405 3.034,406 1.249,407 2.5,408 1.418,409 3.611,410 2.231,411 1.257,412 1.5,414 2.87,415 1.208,416 2.425,417 1.309,418 3.59,419 2.041,420 1.067,421 1.425,423 2.492,424 1.03,425 21.433,426 0.487,427 0.87,428 0.02,429 45,430 1.023,431 17,432 0.386,433 28,434 0.636,435 55.958,436 1.272,437 49.367,438 0.537,439 35.15,440 0.799,441 7.904,442 0.18,443 13.657,444 0.31,445 0.031,446 0.023,447 0.224,450 0.767,451 1.337,452 0.867,453 1.104,454 0.545,455 1.061,456 1.005,457 1.151,458 0.992,459 1.017,460 0.581,461 1.052,462 0.975,463 1.08,464 1.036,465 1.062,466 0.818,467 1.063,468 1.124,469 1.012,470 0.957,471 0.952,472 1.27,473 0.949,474 1.261,475 0.853,476 0.901,477 0.806,478 1.511,479 0.86,480 1.115,481 1.123,482 1.082,483 1.104,484 1.286,485 1.05,486 1.102,487 0.981,488 1.007,489 0.964,490 1.105,491 0.957,492 0.982,493 0.913,494 0.872,495 0.88,496 1.007,497 0.935,498 8.5,499 0.23,500 4,501 2.417,502 2.357,503 0.927,504 1.004,505 0.758,506 0.49,507 0.322,508 38981,509 80086,510 2.159,511 52.2,512 4,513 27,516 2,518 15,520 1.825,521 2.087,522 3.978,523 0.058,527 133.217,528 1.448,529 3.24,530 4.525,531 5.441,532 5.589,533 5.676,534 3.447,535 4.869,536 5.427,537 4.209,538 3981.43,539 9.627,540 77283.8,544 600.168,545 1.169,546 5.415,547 0.173,548 0.004,549 0.06,550 0.037,551 0.039,552 0.014,553 0.015,554 0.011,555 0.007,556 0.005,557 0.366,558 0.17,559 0.63,560 0.327,561 258.597,562 0.003,563 -0.098,564 0.08,565 0.007,566 0.014,567 0.028,568 -0.004,569 0.004,570 -0.005,571 0.017,572 0.047,573 -0.031,574 0.009,575 -0.028,576 -0.035,577 -0.07,578 0.016,579 -0.076,580 -0.048,581 -0.032,582 0.014,583 -0.01,584 -0.029,585 0.013,586 0.043,587 0.125,588 0.066,589 0.118,590 0.095,591 0.089,592 -0.049,593 -0.095,594 -0.028,595 -0.078,596 -0.01,597 -0.055,598 -0.044,599 -0.003,600 -0.025,601 -0.001,602 -0.018,603 0.016,604 0.003,605 0.069,606 0.033,607 0.052,608 -0.001,609 0.041,610 2.094,611 7.025,612 0.727,613 64.215,614 0.988,615 1.127,616 3.627,617 13.153,618 0.65,619 3.912,620 4.22,621 4.477,622 4.718,623 4.898,624 4.898,625 5.004,626 5.159,627 5.193,628 5.252,629 9.822,630 0.598,631 616.95,632 3.912,633 5.451,634 6.293,635 7.162,636 8.02,637 8.893,638 9.759,639 10.636,640 11.508,641 12.387,642 4.3,645 2,648 2,653 2,654 10,658 1,659 2,661 16,662 1,670 92,672 18,673 2,674 49,676 97,677 36,678 14,679 3,680 9,681 1,683 6,684 7,691 6,692 2,694 10,696 16,697 20,698 2,699 2,703 2,707 2,713 48,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,761 44,766 17,767 2,768 1,770 2,771 2,772 1,774 1,778 3.3,781 2,782 1,785 21.083,786 15.817,787 9.681,788 6.128,789 2.031,790 1.246,791 0.973,792 11.021,793 10.271,794 4.094,795 4.582,796 5.067,797 5.557,798 5.988,799 6.147,800 6.419,801 6.783,802 6.709,803 6.83,804 1,805 65,806 16.534,807 7.156,808 7.494,809 32.934,810 28.468,811 1.994,812 87.75,815 541.471,816 187.942,817 42.27,819 61.29,821 31.278,822 156.664,823 602.76,824 42.27,826 80.651,827 94.762,828 70.699,829 12.007,830 2.104,831 572.748,833 541.471,834 198.934,835 61.29,836 31.278,838 364.904,839 226.856,840 11,841 86.9,842 112.035,844 31.278,845 541.471,846 103.56,847 187.942,850 541.471,851 93.18,852 101.011,853 36.022,854 61.29,855 541.471,856 103.56,857 187.942,859 0.574,860 0.333,861 0.181,862 0.096,863 31,864 12,865 0.124,866 12,867 1,868 1.063,869 5.468,870 447.468,871 0.063,872 32,873 222.215,874 1,878 31.662,879 15.316,880 8.497,881 2.155,882 103.56,883 20.455,887 1.492,888 1.897,890 36.022,891 832.973,892 59,896 27.468,900 -0.161,902 90.905,903 103.676,904 0.222,905 0.497,906 0.694,907 0.834,908 0.857,909 0.87,910 5.347,911 2.075,912 6.267,913 6.289,914 4.905,915 5.27,916 2.583,917 7.071,918 4.833,919 6.497,920 1.672,921 7.819,922 5.863,923 4.443,924 4.945,925 1.738,926 8.191,927 4.34,928 7.78,929 1.532,930 9.486,931 4.312,932 6.515,933 7.316,934 3.225,935 11.262,936 6.376,937 9.099,938 1.512,939 11.234,940 4.312,941 6.957,942 7.901,943 3.141,944 13.373,945 6.795,946 10.459,947 1.446,948 13.041,949 3.569,950 8.466,951 9.744,952 4.271,953 16.062,954 8.273,955 11.848,956 1.414,957 14.895,958 3.072,959 9.33,960 10.767,961 4.564,962 18.53,963 9.119,964 13.26,965 1.257,966 16.785,967 3.034,968 10.632,969 12.398,970 5.488,971 21.155,972 10.397,973 3.502,974 1.067,975 18.705,976 2.87,977 11.695,978 13.644,979 5.962,980 23.734,981 11.444,982 3.025,983 13.894,984 20.648,985 2.492,986 12.931,987 15.183,988 6.773,989 26.356,990 12.661,991 2.728,992 9.734,993 22.61,994 4.425,995 14.085,996 16.542,997 7.337,998 28.97,999 13.801,1000 2.664,1001 7.823,1002 24.586,1003 3.686,1004 15.308,1005 18.043,1006 8.087,1007 31.595,1008 15.008,1009 2.472,1010 7.786,1011 26.575,1012 3.455,1013 16.505,1014 19.461,1015 8.698,1016 34.22,1017 16.192,1018 2.441,1019 7.686,1020 28.573,1021 3.21,1022 17.731,1023 20.947,1024 9.414,1025 36.848,1026 17.403,1027 2.249,1028 6.949,1029 30.578,1030 2.727,1031 18.95,1032 22.396,1033 10.051,1034 39.477,1035 18.609,1036 35658,1037 51420,1038 33.86,1039 59.785,1040 72.808,1041 74.076,1042 74.022,1043 72.336,1044 72.33,1045 86.082,1046 11.445,1047 202.658,1048 69.684,1049 5.586,1050 6.082,1051 7.429,1052 5.602,1053 5.502,1054 7.425,1055 3.429,1056 21.313,1057 5.436,1058 12.637,1059 1.486,1060 1.512,1061 1.511,1062 1.476,1063 1.476,1064 1.757,1065 0.234,1066 4.136,1067 1.422,1068 4.094,1069 4.109,1070 4.335,1071 4.109,1072 7.433,1073 4.056,1074 3.975,1075 4.016,1076 3.897,1077 3.887,1078 7.424,1079 3.88,1080 3.897,1081 3.955,1082 3.803,1083 3.79,1084 4.859,1085 3.786,1086 3.888,1087 3.928,1088 3.784,1089 3.739,1090 4.754,1091 3.74,1092 3.77,1093 3.829,1094 3.637,1095 3.609,1096 4.615,1097 3.605,1098 3.637,1099 3.702,1100 3.51,1101 3.48,1102 4.388,1103 3.476,1104 3.484,1105 3.512,1106 3.49,1107 3.396,1108 4.321,1109 3.373,1110 3.377,1111 3.449,1112 3.242,1113 3.17,1114 4.167,1115 3.172,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.586,1122 0.09,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.425,1131 1.956,1132 13.894,1133 3.436,1134 1.933,1135 1.902,1136 2.082,1137 2.068,1138 1.443,1139 2.075,1140 1.919,1141 1.901,1142 2.059,1143 2.027,1144 1.38,1145 2.04,1146 1.861,1147 1.803,1148 2.007,1149 1.972,1150 1.264,1151 1.991,1152 1.764,1153 1.713,1154 1.974,1155 1.945,1156 1.211,1157 1.959,1158 1.717,1159 1.671,1160 1.883,1161 1.909,1162 1.198,1163 1.9,1164 1.612,1165 1.558,1166 1.86,1167 1.79,1168 1.135,1169 1.809,1170 1.577,1171 1.507,1172 1.823,1173 1.751,1174 1.1,1175 1.793,1176 1.471,1177 1.463,1178 1.595,1179 1.59,1180 0.853,1181 1.596,1182 4.595,1183 5.905,1184 3.045,1185 7.403,1186 5.352,1187 8.983,1188 7.424,1189 10.606,1197 17.054,1198 6.654,1199 5.54,1201 0.814,1202 5.227,1203 -0.844,1206 55.007,1207 133.217,1208 298.102,1209 416.319,1210 500.558,1211 514.168,1212 522.168,1213 93.869,1214 8.24,1215 73.91,1216 102.15,1217 34,1218 12.925,1219 4.248,1220 3.459,1221 66.01,1222 248,1223 308,1224 0.118,1225 335.685,1226 589.62,1227 810.831,1228 50396,1230 30.194,1231 0.686,1232 0.609,1233 30.547,1234 26.793,1235 21.56,1236 0.44,1237 0.358,1238 16.653,1239 20.501,1240 16.264,1241 13.355,1242 21.969,1243 17.564,1244 19.087,1245 0.285,1246 0.212,1247 19.729,1248 14.176,1249 16.116,1250 0.185,1251 0.127,1252 16.972,1253 11.018,1254 13.35,1255 0.12,1256 0.074,1257 14.192,1258 8.216,1259 10.565,1260 0.079,1261 0.043,1262 11.327,1263 5.675,1264 0.191,1265 137.614,1266 0.172,1267 39.368,1268 0.312,1269 232,1270 544.023,1271 273.534,1272 544.821,1273 744.76,1274 514,1275 270,1276 519.103,1277 311.157,1278 542.626,1279 797.71,1280 513,1281 8.2}
{0 CHEMBL1083850,1 1.436,2 17.4,3 6.3,4 39.691,5 184.902,6 6.642,7 0.32,8 4.62,9 4.751,10 4.12,11 4.176,12 5.524,13 4.109,14 5.241,15 5.437,16 4.5,17 4.625,18 6.088,19 4.52,20 5.572,21 5.816,22 4.547,23 4.789,24 6.372,25 4.639,26 5.67,27 5.947,28 4.482,29 4.773,30 6.462,31 4.607,32 5.626,33 5.893,34 4.511,35 4.751,36 6.532,37 4.599,38 5.611,39 5.856,40 4.565,41 4.809,42 6.452,43 4.656,44 5.713,45 5.984,46 4.51,47 4.833,48 6.502,49 4.672,50 5.674,51 5.94,52 4.522,53 4.824,54 6.499,55 4.672,56 0.091,57 1.37,58 23.456,59 9.801,60 10.5,61 13.462,62 0.428,63 2.354,64 45.675,65 16.926,66 36.097,67 23.666,68 0.649,69 3.039,70 65.924,71 22.832,72 55.621,73 32.379,74 0.621,75 3.134,76 71.56,77 24.47,78 64.818,79 34.864,80 0.927,81 2.999,82 70.787,83 23.608,84 115.518,85 32.864,86 0.584,87 3.089,88 69.993,89 24.202,90 71.209,91 33.688,92 0.703,93 3.274,94 75.25,95 26.077,96 75.737,97 36.868,98 0.758,99 3.184,100 70.245,101 24.765,102 79.265,103 35.262,104 10,105 69,106 0.212,107 0.48,108 0.69,109 0.813,110 0.828,111 0.84,112 3.832,113 1.078,114 -5.03,115 -4.93,116 -4.62,119 38.9,120 1,121 9,122 1,125 8,126 1,127 1,132 9,133 3,141 2,144 2,155 19,158 4,160 2,162 4,163 23,165 1,166 8,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 2,186 9,189 2,191 6,193 13,196 10,200 7,203 17,205 1,206 8,211 4,214 16,217 1,218 10,221 2,223 4,224 23,227 8,231 3,234 20,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 28.695,245 33.116,246 18.444,247 31.42,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 21.484,254 37.423,255 8.836,256 25.689,257 5.134,258 3.313,259 1.893,260 1.055,261 0.955,262 0.871,263 4.543,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 38.686,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 95,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 3.011,310 5.817,311 3.674,312 2.728,313 3.455,314 0.86,315 7.881,316 2.634,317 3.886,318 2.957,319 5.619,320 3.648,321 2.665,322 3.307,323 0.8,324 7.79,325 2.582,326 3.726,327 2.879,328 5.603,329 3.503,330 2.512,331 2.815,332 0.8,333 7.73,334 2.475,335 3.496,336 2.705,337 5.331,338 3.425,339 2.472,340 2.727,341 0.248,342 6.949,343 2.345,344 3.475,345 2.699,346 5.143,347 3.232,348 2.252,349 2.508,351 6.291,352 2.2,353 3.397,354 2.461,355 4.958,356 3.076,357 2.082,358 2.445,360 5.864,361 2.069,362 3.083,363 2.363,364 4.953,365 2.995,366 2.07,367 2.289,369 5.787,370 1.906,371 3.03,372 2.257,373 4.709,374 2.688,375 1.672,376 2.085,378 4.325,379 1.689,380 2.963,381 1.926,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.433,389 2.803,390 1.646,391 4.176,392 2.435,393 1.446,394 1.838,396 3.381,397 1.405,398 2.643,399 1.523,400 3.618,401 2.306,402 1.415,403 1.622,405 3.072,406 1.263,407 2.5,408 1.5,409 3.612,410 2.264,411 1.301,412 1.5,414 3.034,415 1.223,416 2.425,417 1.418,418 3.592,419 2.061,420 1.087,421 1.425,423 2.53,424 1.048,425 21.933,426 0.487,427 0.976,428 0.022,429 45.5,430 1.011,431 17,432 0.378,433 28.5,434 0.633,435 58.907,436 1.309,437 50.667,438 0.533,439 35.812,440 0.796,441 7.944,442 0.177,443 14.01,444 0.311,445 0.053,446 0.023,447 0.242,450 0.768,451 1.341,452 0.877,453 1.114,454 0.556,455 1.072,456 0.999,457 1.13,458 0.976,459 0.998,460 0.572,461 1.03,462 0.983,463 1.103,464 1.054,465 1.085,466 0.834,467 1.087,468 1.108,469 1.003,470 0.932,471 0.935,472 1.26,473 0.943,474 1.268,475 0.875,476 1.012,477 0.877,478 1.505,479 0.875,480 1.124,481 1.145,482 1.099,483 1.126,484 1.31,485 1.073,486 1.094,487 1.002,488 0.995,489 0.973,490 1.09,491 0.955,492 1.146,493 0.903,494 0.911,495 0.868,496 1.236,497 0.933,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 83073,510 2.141,511 52.6,512 7,513 26,516 2,518 15,520 1.83,521 2.053,522 4.013,523 0.049,527 136.439,528 1.436,529 3.257,530 4.677,531 5.514,532 5.615,533 5.699,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 624.136,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,562 0.006,563 -0.096,564 0.079,565 0.007,566 0.008,567 0.028,568 0.005,569 0.025,570 0.017,571 0.041,572 0.057,573 -0.003,574 0.006,575 -0.041,576 -0.05,577 -0.086,578 0.008,579 -0.094,580 -0.04,581 -0.022,582 0.037,583 0.008,584 -0.028,585 0.02,586 0.041,587 0.119,588 0.037,589 0.098,590 0.099,591 0.084,592 -0.051,593 -0.11,594 -0.043,595 -0.095,596 -0.024,597 -0.074,598 -0.026,599 -0.021,600 -0.01,601 -0.008,602 0.008,603 0.018,604 -0.036,605 0.088,606 0.008,607 0.058,608 -0.04,609 0.034,610 2.098,611 7.07,612 0.711,613 67.404,614 0.987,615 1.127,616 3.804,617 14.468,618 0.648,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.595,631 630.98,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 4.2,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 95,672 18,673 2,674 50,676 100,677 37,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 6,692 2,694 10,696 16,697 21,698 2,699 2,703 2,707 2,713 50,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 1,761 45,766 17,767 2,768 1,770 2,771 2,772 1,774 1,778 3.2,781 2,782 1,785 21.917,786 16.733,787 9.847,788 6.322,789 2.065,790 1.248,791 0.971,792 11.25,793 10.38,794 4.111,795 4.613,796 5.095,797 5.595,798 6.05,799 6.25,800 6.535,801 6.904,802 6.841,803 6.915,804 0.917,805 67,806 16.911,807 7.307,808 7.487,809 33.708,810 29.111,811 1.987,812 89.417,815 565.013,816 190.477,817 42.27,819 61.29,821 31.278,822 159.199,823 626.303,824 42.27,825 8.825,826 80.651,827 85.286,828 70.699,829 15.193,830 2.104,831 596.291,833 565.013,834 201.469,835 61.29,836 31.278,838 388.446,839 226.856,840 11,841 95.725,842 105.744,844 31.278,845 565.013,846 103.56,847 190.477,850 565.013,851 96.365,852 100.36,853 36.022,854 61.29,855 565.013,856 103.56,857 190.477,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.12,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 229.133,874 1,878 32.622,879 15.519,880 8.738,881 2.179,882 103.56,883 18.686,887 1.506,888 3.082,890 36.022,891 859.049,892 60,896 27.598,900 -0.158,902 93.788,903 107.091,904 0.219,905 0.496,906 0.712,907 0.839,908 0.855,909 0.867,910 5.371,911 2.082,912 6.301,913 6.291,914 4.934,915 5.301,916 2.583,917 7.107,918 4.864,919 6.529,920 2.07,921 7.856,922 5.864,923 4.511,924 5.037,925 1.738,926 8.22,927 4.415,928 7.819,929 1.672,930 9.524,931 5.787,932 6.55,933 7.363,934 3.225,935 11.287,936 6.416,937 9.142,938 1.53,939 11.269,940 4.325,941 7.004,942 7.979,943 3.141,944 13.385,945 6.85,946 10.506,947 1.446,948 13.073,949 4.266,950 8.498,951 9.798,952 4.271,953 16.074,954 8.311,955 11.896,956 1.415,957 14.921,958 3.381,959 9.363,960 10.837,961 4.564,962 18.536,963 9.159,964 13.308,965 1.301,966 16.807,967 3.072,968 10.659,969 12.457,970 5.488,971 21.16,972 10.428,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.712,979 5.962,980 23.737,981 11.474,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.248,988 6.773,989 26.359,990 12.686,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.616,997 7.337,998 28.971,999 13.824,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.118,1006 8.087,1007 31.596,1008 15.027,1009 2.512,1010 7.79,1011 26.582,1012 3.455,1013 16.522,1014 19.544,1015 8.698,1016 34.221,1017 16.21,1018 2.472,1019 7.73,1020 28.578,1021 3.307,1022 17.745,1023 21.034,1024 9.414,1025 36.849,1026 17.418,1027 2.252,1028 6.949,1029 30.582,1030 2.815,1031 18.964,1032 22.49,1033 10.051,1034 39.477,1035 18.622,1036 37805,1037 53990,1038 34.265,1039 61.546,1040 74.428,1041 75.921,1042 75.871,1043 74.069,1044 74.055,1045 88.015,1046 11.445,1047 209.146,1048 71.406,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 16.243,1059 1.489,1060 1.518,1061 1.517,1062 1.481,1063 1.481,1064 1.76,1065 0.229,1066 4.183,1067 1.428,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.977,1075 4.018,1076 3.897,1077 3.887,1078 7.424,1079 3.88,1080 3.898,1081 3.956,1082 3.804,1083 3.791,1084 4.85,1085 3.787,1086 3.888,1087 3.928,1088 3.784,1089 3.739,1090 4.753,1091 3.74,1092 3.77,1093 3.829,1094 3.637,1095 3.609,1096 4.615,1097 3.605,1098 3.637,1099 3.702,1100 3.562,1101 3.48,1102 4.388,1103 3.476,1104 3.537,1105 3.566,1106 3.498,1107 3.468,1108 4.321,1109 3.439,1110 3.379,1111 3.453,1112 3.243,1113 3.171,1114 4.189,1115 3.173,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.082,1137 2.068,1138 1.443,1139 2.075,1140 1.933,1141 1.901,1142 2.059,1143 2.027,1144 1.38,1145 2.04,1146 1.861,1147 1.803,1148 2.033,1149 1.995,1150 1.264,1151 2.015,1152 1.764,1153 1.714,1154 1.974,1155 1.946,1156 1.211,1157 1.959,1158 1.718,1159 1.671,1160 1.883,1161 1.91,1162 1.198,1163 1.901,1164 1.612,1165 1.558,1166 1.86,1167 1.791,1168 1.188,1169 1.809,1170 1.577,1171 1.507,1172 1.823,1173 1.751,1174 1.1,1175 1.793,1176 1.48,1177 1.467,1178 1.609,1179 1.6,1180 0.853,1181 1.608,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.067,1197 17.046,1198 6.676,1199 5.543,1201 0.811,1202 5.229,1203 -0.848,1206 56.533,1207 136.439,1208 309.437,1209 444.323,1210 523.872,1211 533.381,1212 541.381,1213 97.712,1214 8.315,1215 73.91,1216 102.15,1217 34,1218 12.965,1219 4.248,1220 3.459,1221 68.312,1222 259,1223 320,1224 0.118,1225 345.277,1226 606.92,1227 834.236,1228 55250,1230 31.064,1231 0.69,1232 0.616,1233 31.418,1234 27.716,1235 21.954,1236 0.439,1237 0.359,1238 17.064,1239 20.895,1240 16.6,1241 13.663,1242 22.363,1243 17.974,1244 19.721,1245 0.286,1246 0.213,1247 20.363,1248 14.679,1249 16.452,1250 0.185,1251 0.126,1252 17.289,1253 11.25,1254 13.606,1255 0.119,1256 0.074,1257 14.507,1258 8.471,1259 10.838,1260 0.079,1261 0.042,1262 11.608,1263 5.859,1264 0.19,1265 139.977,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 552.023,1271 279.534,1272 553.743,1273 757.33,1274 522,1275 277,1276 529.103,1277 318.157,1278 554.483,1279 814.16,1280 523,1281 8.6}
{0 CHEMBL1083851,1 1.436,2 17.4,3 6.3,4 39.691,5 184.902,6 6.642,7 0.32,8 4.62,9 4.751,10 4.12,11 4.176,12 5.524,13 4.109,14 5.241,15 5.437,16 4.5,17 4.625,18 6.088,19 4.52,20 5.572,21 5.816,22 4.547,23 4.789,24 6.372,25 4.639,26 5.67,27 5.947,28 4.482,29 4.773,30 6.462,31 4.607,32 5.626,33 5.893,34 4.511,35 4.751,36 6.532,37 4.599,38 5.611,39 5.856,40 4.565,41 4.809,42 6.452,43 4.656,44 5.713,45 5.984,46 4.51,47 4.833,48 6.502,49 4.672,50 5.674,51 5.94,52 4.522,53 4.824,54 6.499,55 4.672,56 0.091,57 1.37,58 23.456,59 9.801,60 10.5,61 13.462,62 0.428,63 2.354,64 45.675,65 16.926,66 36.097,67 23.666,68 0.649,69 3.039,70 65.924,71 22.832,72 55.621,73 32.379,74 0.621,75 3.134,76 71.56,77 24.47,78 64.818,79 34.864,80 0.927,81 2.999,82 70.787,83 23.608,84 115.518,85 32.864,86 0.584,87 3.089,88 69.993,89 24.202,90 71.209,91 33.688,92 0.703,93 3.274,94 75.25,95 26.077,96 75.737,97 36.868,98 0.758,99 3.184,100 70.245,101 24.765,102 79.265,103 35.262,104 10,105 69,106 0.212,107 0.48,108 0.69,109 0.813,110 0.828,111 0.84,112 3.832,113 1.078,114 -5.03,115 -4.93,116 -4.62,119 38.9,120 1,121 9,122 1,125 8,126 1,127 1,132 9,133 3,141 2,144 2,155 19,158 4,160 2,162 4,163 23,165 1,166 8,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 2,186 9,189 2,191 6,193 13,196 10,200 7,203 17,205 1,206 8,211 4,214 16,217 1,218 10,221 2,223 4,224 23,227 8,231 3,234 20,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 28.695,245 33.116,246 18.444,247 31.42,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 21.484,254 37.423,255 8.836,256 25.689,257 5.134,258 3.313,259 1.893,260 1.055,261 0.955,262 0.871,263 4.543,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 38.686,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 95,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 3.011,310 5.817,311 3.674,312 2.728,313 3.455,314 0.86,315 7.881,316 2.634,317 3.886,318 2.957,319 5.619,320 3.648,321 2.665,322 3.307,323 0.8,324 7.79,325 2.582,326 3.726,327 2.879,328 5.603,329 3.503,330 2.512,331 2.815,332 0.8,333 7.73,334 2.475,335 3.496,336 2.705,337 5.331,338 3.425,339 2.472,340 2.727,341 0.248,342 6.949,343 2.345,344 3.475,345 2.699,346 5.143,347 3.232,348 2.252,349 2.508,351 6.291,352 2.2,353 3.397,354 2.461,355 4.958,356 3.076,357 2.082,358 2.445,360 5.864,361 2.069,362 3.083,363 2.363,364 4.953,365 2.995,366 2.07,367 2.289,369 5.787,370 1.906,371 3.03,372 2.257,373 4.709,374 2.688,375 1.672,376 2.085,378 4.325,379 1.689,380 2.963,381 1.926,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.433,389 2.803,390 1.646,391 4.176,392 2.435,393 1.446,394 1.838,396 3.381,397 1.405,398 2.643,399 1.523,400 3.618,401 2.306,402 1.415,403 1.622,405 3.072,406 1.263,407 2.5,408 1.5,409 3.612,410 2.264,411 1.301,412 1.5,414 3.034,415 1.223,416 2.425,417 1.418,418 3.592,419 2.061,420 1.087,421 1.425,423 2.53,424 1.048,425 21.933,426 0.487,427 0.976,428 0.022,429 45.5,430 1.011,431 17,432 0.378,433 28.5,434 0.633,435 58.907,436 1.309,437 50.667,438 0.533,439 35.812,440 0.796,441 7.944,442 0.177,443 14.01,444 0.311,445 0.053,446 0.023,447 0.242,450 0.768,451 1.341,452 0.877,453 1.114,454 0.556,455 1.072,456 0.999,457 1.13,458 0.976,459 0.998,460 0.572,461 1.03,462 0.983,463 1.103,464 1.054,465 1.085,466 0.834,467 1.087,468 1.108,469 1.003,470 0.932,471 0.935,472 1.26,473 0.943,474 1.268,475 0.875,476 1.012,477 0.877,478 1.505,479 0.875,480 1.124,481 1.145,482 1.099,483 1.126,484 1.31,485 1.073,486 1.094,487 1.002,488 0.995,489 0.973,490 1.09,491 0.955,492 1.146,493 0.903,494 0.911,495 0.868,496 1.236,497 0.933,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 83073,510 2.141,511 52.6,512 7,513 26,516 2,518 15,520 1.83,521 2.053,522 4.013,523 0.049,527 136.439,528 1.436,529 3.257,530 4.677,531 5.514,532 5.615,533 5.699,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 624.136,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,562 0.006,563 -0.096,564 0.079,565 0.007,566 0.008,567 0.028,568 0.005,569 0.025,570 0.017,571 0.041,572 0.057,573 -0.003,574 0.006,575 -0.041,576 -0.05,577 -0.086,578 0.008,579 -0.094,580 -0.04,581 -0.022,582 0.037,583 0.008,584 -0.028,585 0.02,586 0.041,587 0.119,588 0.037,589 0.098,590 0.099,591 0.084,592 -0.051,593 -0.11,594 -0.043,595 -0.095,596 -0.024,597 -0.074,598 -0.026,599 -0.021,600 -0.01,601 -0.008,602 0.008,603 0.018,604 -0.036,605 0.088,606 0.008,607 0.058,608 -0.04,609 0.034,610 2.098,611 7.07,612 0.711,613 67.404,614 0.987,615 1.127,616 3.804,617 14.468,618 0.648,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.595,631 630.98,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 4.2,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 95,672 18,673 2,674 50,676 100,677 37,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 6,692 2,694 10,696 16,697 21,698 2,699 2,703 2,707 2,713 50,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 1,761 45,766 17,767 2,768 1,770 2,771 2,772 1,774 1,778 3.2,781 2,782 1,785 21.917,786 16.733,787 9.847,788 6.322,789 2.065,790 1.248,791 0.971,792 11.25,793 10.38,794 4.111,795 4.613,796 5.095,797 5.595,798 6.05,799 6.25,800 6.535,801 6.904,802 6.841,803 6.915,804 0.917,805 67,806 16.911,807 7.307,808 7.487,809 33.708,810 29.111,811 1.987,812 89.417,815 565.013,816 190.477,817 42.27,819 61.29,821 31.278,822 159.199,823 626.303,824 42.27,825 8.825,826 80.651,827 85.286,828 70.699,829 15.193,830 2.104,831 596.291,833 565.013,834 201.469,835 61.29,836 31.278,838 388.446,839 226.856,840 11,841 95.725,842 105.744,844 31.278,845 565.013,846 103.56,847 190.477,850 565.013,851 96.365,852 100.36,853 36.022,854 61.29,855 565.013,856 103.56,857 190.477,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.12,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 229.133,874 1,878 32.622,879 15.519,880 8.738,881 2.179,882 103.56,883 18.686,887 1.506,888 3.082,890 36.022,891 859.049,892 60,896 27.598,900 -0.158,902 93.788,903 107.091,904 0.219,905 0.496,906 0.712,907 0.839,908 0.855,909 0.867,910 5.371,911 2.082,912 6.301,913 6.291,914 4.934,915 5.301,916 2.583,917 7.107,918 4.864,919 6.529,920 2.07,921 7.856,922 5.864,923 4.511,924 5.037,925 1.738,926 8.22,927 4.415,928 7.819,929 1.672,930 9.524,931 5.787,932 6.55,933 7.363,934 3.225,935 11.287,936 6.416,937 9.142,938 1.53,939 11.269,940 4.325,941 7.004,942 7.979,943 3.141,944 13.385,945 6.85,946 10.506,947 1.446,948 13.073,949 4.266,950 8.498,951 9.798,952 4.271,953 16.074,954 8.311,955 11.896,956 1.415,957 14.921,958 3.381,959 9.363,960 10.837,961 4.564,962 18.536,963 9.159,964 13.308,965 1.301,966 16.807,967 3.072,968 10.659,969 12.457,970 5.488,971 21.16,972 10.428,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.712,979 5.962,980 23.737,981 11.474,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.248,988 6.773,989 26.359,990 12.686,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.616,997 7.337,998 28.971,999 13.824,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.118,1006 8.087,1007 31.596,1008 15.027,1009 2.512,1010 7.79,1011 26.582,1012 3.455,1013 16.522,1014 19.544,1015 8.698,1016 34.221,1017 16.21,1018 2.472,1019 7.73,1020 28.578,1021 3.307,1022 17.745,1023 21.034,1024 9.414,1025 36.849,1026 17.418,1027 2.252,1028 6.949,1029 30.582,1030 2.815,1031 18.964,1032 22.49,1033 10.051,1034 39.477,1035 18.622,1036 37805,1037 53990,1038 34.265,1039 61.546,1040 74.428,1041 75.921,1042 75.871,1043 74.069,1044 74.055,1045 88.015,1046 11.445,1047 209.146,1048 71.406,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 16.243,1059 1.489,1060 1.518,1061 1.517,1062 1.481,1063 1.481,1064 1.76,1065 0.229,1066 4.183,1067 1.428,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.977,1075 4.018,1076 3.897,1077 3.887,1078 7.424,1079 3.88,1080 3.898,1081 3.956,1082 3.804,1083 3.791,1084 4.85,1085 3.787,1086 3.888,1087 3.928,1088 3.784,1089 3.739,1090 4.753,1091 3.74,1092 3.77,1093 3.829,1094 3.637,1095 3.609,1096 4.615,1097 3.605,1098 3.637,1099 3.702,1100 3.562,1101 3.48,1102 4.388,1103 3.476,1104 3.537,1105 3.566,1106 3.498,1107 3.468,1108 4.321,1109 3.439,1110 3.379,1111 3.453,1112 3.243,1113 3.171,1114 4.189,1115 3.173,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.082,1137 2.068,1138 1.443,1139 2.075,1140 1.933,1141 1.901,1142 2.059,1143 2.027,1144 1.38,1145 2.04,1146 1.861,1147 1.803,1148 2.033,1149 1.995,1150 1.264,1151 2.015,1152 1.764,1153 1.714,1154 1.974,1155 1.946,1156 1.211,1157 1.959,1158 1.718,1159 1.671,1160 1.883,1161 1.91,1162 1.198,1163 1.901,1164 1.612,1165 1.558,1166 1.86,1167 1.791,1168 1.188,1169 1.809,1170 1.577,1171 1.507,1172 1.823,1173 1.751,1174 1.1,1175 1.793,1176 1.48,1177 1.467,1178 1.609,1179 1.6,1180 0.853,1181 1.608,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.067,1197 17.046,1198 6.676,1199 5.543,1201 0.811,1202 5.229,1203 -0.848,1206 56.533,1207 136.439,1208 309.437,1209 444.323,1210 523.872,1211 533.381,1212 541.381,1213 97.712,1214 8.315,1215 73.91,1216 102.15,1217 34,1218 12.965,1219 4.248,1220 3.459,1221 68.312,1222 259,1223 320,1224 0.118,1225 345.277,1226 606.92,1227 834.236,1228 55250,1230 31.064,1231 0.69,1232 0.616,1233 31.418,1234 27.716,1235 21.954,1236 0.439,1237 0.359,1238 17.064,1239 20.895,1240 16.6,1241 13.663,1242 22.363,1243 17.974,1244 19.721,1245 0.286,1246 0.213,1247 20.363,1248 14.679,1249 16.452,1250 0.185,1251 0.126,1252 17.289,1253 11.25,1254 13.606,1255 0.119,1256 0.074,1257 14.507,1258 8.471,1259 10.838,1260 0.079,1261 0.042,1262 11.608,1263 5.859,1264 0.19,1265 139.977,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 552.023,1271 279.534,1272 553.743,1273 757.33,1274 522,1275 277,1276 529.103,1277 318.157,1278 554.483,1279 814.16,1280 523,1281 7.7}
{0 CHEMBL1083852,1 1.436,2 17.4,3 6.3,4 39.691,5 184.902,6 6.642,7 0.32,8 4.62,9 4.751,10 4.12,11 4.176,12 5.524,13 4.109,14 5.241,15 5.437,16 4.5,17 4.625,18 6.088,19 4.52,20 5.572,21 5.816,22 4.548,23 4.789,24 6.374,25 4.639,26 5.669,27 5.946,28 4.48,29 4.777,30 6.458,31 4.61,32 5.628,33 5.893,34 4.509,35 4.76,36 6.529,37 4.605,38 5.621,39 5.865,40 4.566,41 4.816,42 6.458,43 4.661,44 5.719,45 5.991,46 4.51,47 4.836,48 6.505,49 4.673,50 5.674,51 5.939,52 4.52,53 4.825,54 6.497,55 4.673,56 0.091,57 1.37,58 23.456,59 9.801,60 10.5,61 13.462,62 0.428,63 2.354,64 45.675,65 16.926,66 36.097,67 23.666,68 0.675,69 3.036,70 65.952,71 22.776,72 56.219,73 32.389,74 0.611,75 3.136,76 71.408,77 24.54,78 64.104,79 34.976,80 0.885,81 3.002,82 70.739,83 24.051,84 114.551,85 33.246,86 0.582,87 3.1,88 70.564,89 24.66,90 71.99,91 34.188,92 0.707,93 3.287,94 75.689,95 26.22,96 76.133,97 37.088,98 0.738,99 3.181,100 70.221,101 24.685,102 79.088,103 35.221,104 10,105 69,106 0.212,107 0.48,108 0.687,109 0.815,110 0.84,111 0.84,112 3.832,113 1.078,114 -5.03,115 -4.93,116 -4.62,119 38.9,120 1,121 9,122 1,125 8,126 1,127 1,132 9,133 3,141 2,144 2,155 19,158 4,160 2,162 4,163 23,165 1,166 8,168 1,169 1,170 8,173 14,176 7,181 5,183 10,185 2,186 8,189 2,191 6,193 16,196 9,200 7,203 18,205 1,206 9,211 6,214 17,217 1,218 10,221 1,223 5,224 23,227 9,231 3,234 23,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 28.695,245 33.667,246 18.444,247 31.423,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 21.484,254 37.546,255 8.836,256 25.7,257 5.134,258 3.313,259 1.909,260 1.045,261 0.871,262 0.871,263 4.543,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 38.584,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 95,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 2.968,310 5.817,311 3.686,312 2.728,313 3.455,314 0.86,315 7.881,316 2.637,317 3.886,318 2.956,319 5.619,320 3.65,321 2.665,322 3.307,323 0.8,324 7.79,325 2.61,326 3.726,327 2.882,328 5.603,329 3.503,330 2.512,331 2.815,332 0.8,333 7.73,334 2.475,335 3.496,336 2.818,337 5.331,338 3.391,339 2.472,340 2.727,341 0.248,342 6.949,343 2.276,344 3.475,345 2.701,346 5.143,347 3.231,348 2.252,349 2.508,351 6.291,352 2.193,353 3.397,354 2.363,355 4.958,356 3.076,357 2.082,358 2.445,360 5.864,361 2.069,362 3.083,363 2.324,364 4.953,365 3.025,366 2.07,367 2.289,369 5.787,370 1.962,371 3.03,372 2.253,373 4.709,374 2.688,375 1.672,376 2.085,378 4.325,379 1.69,380 2.963,381 2.004,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.434,389 2.803,390 1.646,391 4.176,392 2.435,393 1.446,394 1.838,396 3.381,397 1.405,398 2.643,399 1.522,400 3.618,401 2.296,402 1.415,403 1.622,405 3.072,406 1.26,407 2.5,408 1.5,409 3.612,410 2.26,411 1.301,412 1.5,414 3.034,415 1.21,416 2.425,417 1.418,418 3.592,419 2.062,420 1.087,421 1.425,423 2.53,424 1.049,425 21.933,426 0.487,427 0.976,428 0.022,429 45.5,430 1.011,431 17,432 0.378,433 28.5,434 0.633,435 59.054,436 1.312,437 50.667,438 0.533,439 35.665,440 0.793,441 7.944,442 0.177,443 14.01,444 0.311,445 0.053,446 0.023,447 0.242,450 0.768,451 1.341,452 0.877,453 1.114,454 0.556,455 1.072,456 0.999,457 1.13,458 0.976,459 0.998,460 0.572,461 1.03,462 0.967,463 1.111,464 1.054,465 1.083,466 0.83,467 1.087,468 1.073,469 0.991,470 0.929,471 0.934,472 1.25,473 0.943,474 1.247,475 0.869,476 1.01,477 0.892,478 1.5,479 0.888,480 1.116,481 1.15,482 1.091,483 1.132,484 1.303,485 1.077,486 1.087,487 0.996,488 0.988,489 0.967,490 1.082,491 0.949,492 1.165,493 0.91,494 0.913,495 0.865,496 1.239,497 0.93,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 83489,510 2.141,511 52.6,512 7,513 26,516 2,518 15,520 1.83,521 2.053,522 4.013,523 0.049,527 136.439,528 1.436,529 3.257,530 4.661,531 5.525,532 5.699,533 5.699,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 624.136,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,562 0.006,563 -0.096,564 0.079,565 0.007,566 0.008,567 0.028,568 0.005,569 0.025,570 0.017,571 0.041,572 0.057,573 -0.003,574 0.022,575 -0.049,576 -0.05,577 -0.083,578 0.013,579 -0.094,580 -0.037,581 -0.01,582 0.037,583 0.011,584 -0.025,585 0.023,586 0.032,587 0.119,588 0.035,589 0.089,590 0.097,591 0.078,592 -0.044,593 -0.124,594 -0.039,595 -0.098,596 -0.022,597 -0.075,598 -0.024,599 -0.017,600 -0.004,601 -0.003,602 0.01,603 0.024,604 -0.056,605 0.081,606 0.005,607 0.061,608 -0.043,609 0.037,610 2.097,611 7.071,612 0.711,613 67.404,614 0.987,615 1.127,616 3.804,617 14.468,618 0.648,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.595,631 630.98,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 4.2,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 95,672 18,673 2,674 50,676 100,677 37,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 6,692 2,694 10,696 16,697 21,698 2,699 2,703 2,707 2,713 50,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 1,761 45,766 17,767 2,768 1,770 2,771 2,772 1,774 1,778 3.2,781 2,782 1,785 21.917,786 16.733,787 9.847,788 6.322,789 2.065,790 1.248,791 0.971,792 11.25,793 10.38,794 4.111,795 4.613,796 5.095,797 5.595,798 6.05,799 6.25,800 6.535,801 6.904,802 6.841,803 6.915,804 0.917,805 67,806 16.911,807 7.306,808 7.487,809 33.708,810 29.111,811 1.987,812 89.417,815 565.013,816 190.477,817 42.27,819 61.29,821 31.278,822 159.199,823 626.303,824 42.27,825 8.825,826 80.651,827 85.286,828 70.699,829 15.193,830 2.104,831 596.291,833 565.013,834 201.469,835 61.29,836 31.278,838 388.446,839 226.856,840 11,841 95.725,842 105.744,844 31.278,845 565.013,846 103.56,847 190.477,850 565.013,851 96.365,852 100.36,853 36.022,854 61.29,855 565.013,856 103.56,857 190.477,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.12,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 228.379,874 1,878 32.622,879 15.519,880 8.738,881 2.18,882 103.56,883 18.695,887 1.506,888 3.085,890 36.022,891 859.049,892 60,896 27.6,900 -0.155,902 93.788,903 107.091,904 0.219,905 0.496,906 0.709,907 0.841,908 0.867,909 0.867,910 5.371,911 2.082,912 6.301,913 6.291,914 4.934,915 5.301,916 2.583,917 7.107,918 4.864,919 6.529,920 2.07,921 7.856,922 5.864,923 4.511,924 5.037,925 1.738,926 8.22,927 4.415,928 7.819,929 1.672,930 9.524,931 5.787,932 6.55,933 7.363,934 3.225,935 11.287,936 6.416,937 9.142,938 1.53,939 11.269,940 4.325,941 7.004,942 7.979,943 3.141,944 13.385,945 6.85,946 10.506,947 1.446,948 13.073,949 4.266,950 8.498,951 9.798,952 4.271,953 16.074,954 8.311,955 11.896,956 1.415,957 14.921,958 3.381,959 9.363,960 10.837,961 4.564,962 18.536,963 9.159,964 13.308,965 1.301,966 16.807,967 3.072,968 10.659,969 12.457,970 5.488,971 21.16,972 10.43,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.712,979 5.962,980 23.737,981 11.475,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.248,988 6.773,989 26.359,990 12.688,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.616,997 7.337,998 28.971,999 13.826,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.118,1006 8.087,1007 31.596,1008 15.029,1009 2.512,1010 7.79,1011 26.582,1012 3.455,1013 16.522,1014 19.544,1015 8.698,1016 34.221,1017 16.211,1018 2.472,1019 7.73,1020 28.578,1021 3.307,1022 17.745,1023 21.034,1024 9.414,1025 36.849,1026 17.42,1027 2.252,1028 6.949,1029 30.582,1030 2.815,1031 18.964,1032 22.49,1033 10.051,1034 39.477,1035 18.624,1036 37805,1037 54118,1038 34.265,1039 61.546,1040 74.428,1041 75.871,1042 75.871,1043 74.075,1044 74.055,1045 88.015,1046 11.445,1047 209.146,1048 71.406,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 16.243,1059 1.489,1060 1.517,1061 1.517,1062 1.481,1063 1.481,1064 1.76,1065 0.229,1066 4.183,1067 1.428,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.978,1075 4.02,1076 3.898,1077 3.889,1078 7.424,1079 3.881,1080 3.903,1081 3.959,1082 3.804,1083 3.792,1084 4.85,1085 3.788,1086 3.889,1087 3.928,1088 3.789,1089 3.758,1090 4.753,1091 3.756,1092 3.75,1093 3.814,1094 3.621,1095 3.559,1096 4.629,1097 3.56,1098 3.645,1099 3.706,1100 3.562,1101 3.488,1102 4.368,1103 3.487,1104 3.537,1105 3.566,1106 3.502,1107 3.468,1108 4.314,1109 3.439,1110 3.396,1111 3.466,1112 3.255,1113 3.204,1114 4.187,1115 3.203,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.096,1137 2.072,1138 1.479,1139 2.083,1140 1.934,1141 1.901,1142 2.062,1143 2.027,1144 1.36,1145 2.04,1146 1.88,1147 1.822,1148 2.033,1149 1.995,1150 1.211,1151 2.015,1152 1.743,1153 1.703,1154 1.935,1155 1.936,1156 1.208,1157 1.939,1158 1.691,1159 1.635,1160 1.887,1161 1.909,1162 1.196,1163 1.9,1164 1.624,1165 1.572,1166 1.86,1167 1.796,1168 1.188,1169 1.817,1170 1.577,1171 1.507,1172 1.83,1173 1.751,1174 1.117,1175 1.793,1176 1.482,1177 1.471,1178 1.618,1179 1.605,1180 0.885,1181 1.614,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.068,1197 17.079,1198 6.68,1199 5.52,1201 0.819,1202 5.186,1203 -0.847,1206 56.533,1207 136.439,1208 309.437,1209 442.813,1210 524.852,1211 541.381,1212 541.381,1213 97.575,1214 8.315,1215 73.91,1216 102.15,1217 34,1218 12.965,1219 4.248,1220 3.459,1221 68.312,1222 259,1223 320,1224 0.118,1225 345.277,1226 606.92,1227 834.236,1228 55250,1230 31.064,1231 0.69,1232 0.616,1233 31.418,1234 27.716,1235 21.954,1236 0.439,1237 0.359,1238 17.064,1239 20.896,1240 16.6,1241 13.664,1242 22.363,1243 17.974,1244 19.721,1245 0.286,1246 0.213,1247 20.363,1248 14.679,1249 16.452,1250 0.185,1251 0.126,1252 17.289,1253 11.255,1254 13.606,1255 0.119,1256 0.075,1257 14.507,1258 8.523,1259 10.838,1260 0.079,1261 0.043,1262 11.608,1263 5.957,1264 0.19,1265 139.977,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 552.023,1271 279.534,1272 553.743,1273 757.33,1274 522,1275 277,1276 529.103,1277 318.212,1278 554.485,1279 814.2,1280 523,1281 7.8}
{0 CHEMBL1083853,1 1.46,2 15.86,3 5.142,4 26.44,5 175.442,6 6.774,7 0.333,8 4.561,9 4.69,10 4.081,11 4.121,12 5.48,13 4.057,14 5.18,15 5.371,16 4.472,17 4.569,18 6.046,19 4.471,20 5.509,21 5.748,22 4.527,23 4.734,24 6.332,25 4.595,26 5.601,27 5.867,28 4.464,29 4.739,30 6.42,31 4.58,32 5.598,33 5.861,34 4.488,35 4.722,36 6.51,37 4.568,38 5.583,39 5.835,40 4.53,41 4.737,42 6.448,43 4.592,44 5.602,45 5.866,46 4.478,47 4.754,48 6.423,49 4.607,50 5.581,51 5.825,52 4.521,53 4.787,54 6.465,55 4.651,56 0.078,57 1.292,58 21.668,59 9.107,60 9.588,61 12.406,62 0.406,63 2.227,64 42.57,65 15.719,66 34.468,67 21.823,68 0.675,69 2.883,70 62.117,71 20.998,72 55.676,73 29.764,74 0.62,75 2.985,76 66.927,77 23.342,78 61.309,79 32.761,80 0.779,81 2.913,82 68.88,83 23.519,84 111.369,85 32.385,86 0.732,87 2.967,88 69.12,89 22.527,90 81.284,91 31.327,92 0.674,93 2.993,94 67.979,95 23.447,96 66.073,97 32.84,98 0.603,99 2.973,100 63.578,101 23.03,102 79.444,103 32.282,104 10,105 67,106 0.218,107 0.494,108 0.697,109 0.802,110 0.825,111 0.834,112 3.788,113 1.063,114 -4.68,115 -4.6,116 -4.32,119 39.3,120 1,121 8,125 7,126 2,127 1,132 9,133 3,141 2,144 2,155 16,158 5,160 2,162 4,163 23,165 1,166 4,168 1,169 1,170 7,173 13,175 1,176 8,179 1,181 5,183 9,185 1,186 8,189 1,191 6,193 11,195 1,196 9,200 8,203 15,205 1,206 10,209 1,211 4,214 14,218 10,221 1,223 4,224 24,226 1,227 6,231 5,234 24,238 4562,239 29.454,240 29.454,241 29.454,242 29.454,243 29.454,244 27.333,245 35.248,246 17.499,247 30.064,248 23.719,249 23.719,250 23.719,251 23.719,252 23.719,253 20.472,254 49.314,255 8.348,256 24.696,257 5.015,258 3.167,259 1.807,260 1.102,261 0.947,262 0.885,263 4.5,267 1,268 1512,269 4.583,271 259.293,272 679.166,274 226.564,277 2.322,278 38.504,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.81,288 91,289 682,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.938,309 3.139,310 6.143,311 3.812,312 2.871,313 3.455,314 0.86,315 9.055,316 2.702,317 3.886,318 2.958,319 5.817,320 3.657,321 2.674,322 3.307,323 0.8,324 7.886,325 2.631,326 3.869,327 2.895,328 5.614,329 3.503,330 2.512,331 2.87,332 0.8,333 7.749,334 2.475,335 3.51,336 2.767,337 5.327,338 3.368,339 2.435,340 2.815,341 0.248,342 6.921,343 2.28,344 3.471,345 2.7,346 5.131,347 3.18,348 2.213,349 2.535,351 6.246,352 2.121,353 3.329,354 2.363,355 4.957,356 3.074,357 2.076,358 2.365,360 5.786,361 2.066,362 3.03,363 2.306,364 4.702,365 2.748,366 1.817,367 2.289,369 4.527,370 1.705,371 2.963,372 2.223,373 4.442,374 2.663,375 1.654,376 2.06,378 4.304,379 1.641,380 2.838,381 1.646,382 4.401,383 2.463,384 1.53,385 1.86,387 4.238,388 1.411,389 2.755,390 1.576,391 4.175,392 2.414,393 1.419,394 1.764,396 3.381,397 1.405,398 2.643,399 1.505,400 3.618,401 2.251,402 1.283,403 1.622,405 3.034,406 1.228,407 2.5,408 1.5,409 3.598,410 2.064,411 1.174,412 1.5,414 2.723,415 1.034,416 2.24,417 1.418,418 3.523,419 2,420 1,421 1.194,423 2.383,424 1,425 20.933,426 0.487,427 0.959,428 0.022,429 44.5,430 1.035,431 17,432 0.395,433 27.5,434 0.64,435 54.875,436 1.276,437 48.067,438 0.54,439 35.226,440 0.819,441 7.928,442 0.184,443 13.043,444 0.303,445 0.056,446 0.024,447 0.253,450 0.766,451 1.333,452 0.856,453 1.095,454 0.555,455 1.05,456 0.995,457 1.14,458 0.956,459 0.984,460 0.572,461 1.012,462 1.016,463 1.078,464 1.054,465 1.048,466 0.841,467 1.058,468 1.053,469 0.982,470 0.96,471 0.966,472 1.268,473 0.985,474 1.174,475 0.984,476 0.986,477 0.948,478 1.445,479 0.919,480 1.3,481 1.056,482 1.089,483 1.026,484 1.333,485 0.989,486 1.073,487 0.95,488 0.993,489 0.948,490 1.067,491 0.926,492 1.183,493 0.987,494 0.939,495 0.93,496 1.523,497 0.988,498 9,499 0.323,500 4.667,501 2.479,502 2.468,503 1.101,504 1.147,505 0.815,506 0.426,507 0.433,508 35020,509 72803,510 2.148,511 51.7,512 7,513 25,516 2,518 6,519 6,520 1.821,521 2.056,522 3.882,523 0.068,527 129.977,528 1.46,529 3.309,530 4.669,531 5.374,532 5.529,533 5.591,534 3.356,535 4.99,536 5.395,537 4.101,538 3703.55,539 9.571,540 69158.6,544 576.34,545 1.3,546 5.373,547 0.188,548 0.006,549 0.07,550 0.038,551 0.04,552 0.017,553 0.018,554 0.012,555 0.006,556 0.006,557 0.4,558 0.17,559 0.75,560 0.394,561 249.211,562 0.001,563 -0.101,564 0.08,565 0.007,566 0.002,567 0.029,568 0.006,569 0.011,570 0.026,571 0.043,572 0.054,573 0.002,574 0.001,575 -0.008,576 -0.049,577 -0.059,578 0.005,579 -0.076,580 -0.024,581 0.011,582 0.004,583 -0.014,584 -0.038,585 -0.014,586 0.037,587 -0.014,588 0.047,589 0.036,590 0.101,591 0.052,592 -0.065,593 -0.036,594 -0.022,595 -0.027,596 -0.031,597 -0.019,598 -0.018,599 0.046,601 0.023,602 0.01,603 0.049,604 -0.093,605 0.019,606 -0.029,607 0.016,608 -0.091,609 -0.007,610 2.103,611 7.069,612 0.744,613 58.438,614 0.989,615 1.127,616 3.448,617 11.886,618 0.652,619 3.892,620 4.22,621 4.489,622 4.736,623 4.934,624 4.963,625 5.081,626 5.226,627 5.268,628 5.357,629 9.206,630 0.601,631 602.92,632 3.892,633 5.442,634 6.293,635 7.171,636 8.038,637 8.919,638 9.794,639 10.678,640 11.557,641 12.443,642 4.5,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 89,672 18,673 2,674 48,676 94,677 35,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 7,692 1,694 10,696 16,697 19,698 1,699 2,703 2,707 2,713 46,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 1,761 43,766 15,767 2,768 1,770 2,771 2,772 1,774 1,778 3.4,781 2,782 1,785 20.917,786 15.733,787 9.375,788 5.872,789 2.094,790 1.254,791 0.975,792 10.136,793 10.346,794 4.078,795 4.593,796 5.088,797 5.591,798 6.05,799 6.253,800 6.544,801 6.91,802 6.851,803 6.938,804 0.909,805 66,806 16.157,807 7.023,808 7.51,809 32.075,810 27.772,811 2.01,812 86.417,815 517.928,816 185.836,817 42.27,819 61.29,821 31.278,822 154.559,823 579.218,824 42.27,825 8.825,826 76.011,827 85.286,828 70.699,829 15.193,830 2.104,831 549.206,833 517.928,834 196.829,835 61.29,836 31.278,838 376.675,839 191.543,840 11,841 91.085,842 105.744,844 31.278,845 517.928,846 103.56,847 185.836,850 517.928,851 91.725,852 100.36,853 36.022,854 61.29,855 517.928,856 103.56,857 185.836,859 0.581,860 0.339,861 0.182,862 0.098,863 32,864 13,865 0.106,866 10,867 1,868 1.063,869 5.289,870 443.591,871 0.063,872 32,873 214.574,874 1,878 30.703,879 14.196,880 7.678,881 2.176,882 103.56,883 18.66,887 1.504,888 3.073,890 36.022,891 807.325,892 58,896 27.586,900 -0.166,902 88.021,903 100.261,904 0.226,905 0.511,906 0.721,907 0.83,908 0.854,909 0.863,910 5.342,911 2.076,912 6.282,913 6.246,914 4.905,915 5.281,916 2.583,917 7.106,918 4.831,919 6.509,920 1.817,921 7.85,922 5.786,923 4.511,924 5.037,925 1.738,926 8.249,927 4.408,928 7.805,929 1.654,930 9.531,931 4.527,932 6.538,933 7.358,934 3.225,935 11.318,936 6.396,937 9.136,938 1.53,939 11.288,940 4.304,941 7.022,942 7.986,943 3.141,944 13.421,945 6.856,946 10.505,947 1.419,948 13.101,949 4.238,950 8.508,951 9.801,952 4.271,953 16.106,954 8.309,955 11.901,956 1.283,957 14.957,958 3.381,959 9.391,960 10.843,961 4.564,962 18.561,963 9.172,964 13.317,965 1.174,966 16.846,967 3.034,968 10.683,969 12.461,970 5.488,971 21.18,972 10.438,973 3.502,974 1,975 18.763,976 2.723,977 11.752,978 13.717,979 5.962,980 23.751,981 11.49,982 3.048,983 13.894,984 20.702,985 2.383,986 12.982,987 15.251,988 6.773,989 26.369,990 12.7,991 2.871,992 9.799,993 22.659,994 4.454,995 14.136,996 16.619,997 7.337,998 28.978,999 13.84,1000 2.674,1001 9.055,1002 24.63,1003 3.689,1004 15.354,1005 18.12,1006 8.087,1007 31.601,1008 15.041,1009 2.512,1010 7.886,1011 26.613,1012 3.455,1013 16.549,1014 19.545,1015 8.698,1016 34.224,1017 16.223,1018 2.435,1019 7.749,1020 28.606,1021 3.307,1022 17.77,1023 21.035,1024 9.414,1025 36.851,1026 17.429,1027 2.213,1028 6.921,1029 30.606,1030 2.87,1031 18.986,1032 22.491,1033 10.051,1034 39.479,1035 18.633,1036 32094,1037 46509,1038 32.879,1039 58.023,1040 72.15,1041 73.535,1042 73.519,1043 71.746,1044 71.733,1045 85.696,1046 11.445,1047 205.115,1048 69.043,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.659,1059 1.503,1060 1.532,1061 1.532,1062 1.495,1063 1.494,1064 1.785,1065 0.238,1066 4.273,1067 1.438,1068 4.102,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.979,1075 4.022,1076 3.9,1077 3.887,1078 7.424,1079 3.881,1080 3.9,1081 3.956,1082 3.804,1083 3.79,1084 4.85,1085 3.787,1086 3.888,1087 3.927,1088 3.791,1089 3.741,1090 4.753,1091 3.744,1092 3.707,1093 3.771,1094 3.58,1095 3.519,1096 4.63,1097 3.522,1098 3.582,1099 3.645,1100 3.559,1101 3.469,1102 4.362,1103 3.439,1104 3.537,1105 3.566,1106 3.443,1107 3.41,1108 4.305,1109 3.409,1110 3.293,1111 3.354,1112 3.193,1113 3.076,1114 4.184,1115 3.09,1116 0.096,1117 0.085,1118 0.159,1119 0.093,1120 0.073,1121 4.589,1122 0.093,1123 4.082,1124 0.041,1125 7.627,1126 0.289,1127 4.485,1128 0.072,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.087,1137 2.078,1138 1.452,1139 2.084,1140 1.934,1141 1.901,1142 2.05,1143 2.021,1144 1.326,1145 2.032,1146 1.867,1147 1.807,1148 2.033,1149 1.995,1150 1.211,1151 2.015,1152 1.734,1153 1.697,1154 1.902,1155 1.917,1156 1.199,1157 1.913,1158 1.654,1159 1.598,1160 1.86,1161 1.88,1162 1.188,1163 1.876,1164 1.577,1165 1.513,1166 1.854,1167 1.751,1168 1.155,1169 1.793,1170 1.558,1171 1.507,1172 1.787,1173 1.74,1174 1.048,1175 1.759,1176 1.471,1177 1.449,1178 1.607,1179 1.577,1180 0.825,1181 1.594,1182 4.575,1183 5.9,1184 3.045,1185 7.413,1186 5.352,1187 9.008,1188 7.424,1189 10.645,1191 2.066,1197 14.306,1198 6.67,1199 5.552,1201 0.671,1202 5.172,1203 -0.853,1206 53.48,1207 129.977,1208 294.496,1209 415.514,1210 478.301,1211 492.076,1212 497.585,1213 90.717,1214 8.252,1215 73.91,1216 102.15,1217 34,1218 12.977,1219 4.248,1220 3.459,1221 63.633,1222 230,1223 268,1224 0.125,1225 326.092,1226 572.32,1227 787.425,1228 48732,1230 29.65,1231 0.69,1232 0.612,1233 30.003,1234 26.301,1235 20.971,1236 0.437,1237 0.354,1238 16.1,1239 19.914,1240 15.667,1241 12.861,1242 21.379,1243 17.008,1244 18.92,1245 0.282,1246 0.207,1247 19.562,1248 13.849,1249 16.06,1250 0.183,1251 0.123,1252 16.898,1253 10.814,1254 13.286,1255 0.118,1256 0.073,1257 14.187,1258 8.209,1259 10.64,1260 0.077,1261 0.041,1262 11.411,1263 5.65,1264 0.2,1265 134.04,1266 0.174,1267 38.342,1268 0.336,1269 230,1270 544.023,1271 271.867,1272 545.071,1273 747.11,1274 514,1275 270,1276 524.455,1277 311.379,1278 548.292,1279 806.98,1280 518,1281 7.8}
{0 CHEMBL1083854,1 1.448,2 16.568,3 5.722,4 32.741,5 180.085,6 6.706,7 0.327,8 4.591,9 4.721,10 4.101,11 4.149,12 5.502,13 4.083,14 5.211,15 5.404,16 4.487,17 4.596,18 6.067,19 4.495,20 5.542,21 5.784,22 4.542,23 4.761,24 6.354,25 4.618,26 5.631,27 5.899,28 4.478,29 4.767,30 6.438,31 4.605,32 5.628,33 5.892,34 4.494,35 4.752,36 6.529,37 4.592,38 5.618,39 5.877,40 4.527,41 4.758,42 6.455,43 4.606,44 5.61,45 5.869,46 4.47,47 4.767,48 6.435,49 4.616,50 5.612,51 5.868,52 4.5,53 4.803,54 6.447,55 4.653,56 0.085,57 1.331,58 22.566,59 9.454,60 10.076,61 12.935,62 0.414,63 2.292,64 44.13,65 16.31,66 35.106,67 22.739,68 0.688,69 2.963,70 64.176,71 21.749,72 56.575,73 30.954,74 0.61,75 3.06,76 68.787,77 23.98,78 62.069,79 33.841,80 0.809,81 2.989,82 70.646,83 24.455,84 112.04,85 33.667,86 0.69,87 3.027,88 71.291,89 23.534,90 79.082,91 32.79,92 0.706,93 3.007,94 68.289,95 23.708,96 72.717,97 33.246,98 0.568,99 3.05,100 65.479,101 23.963,102 70.958,103 33.928,104 10,105 68,106 0.215,107 0.485,108 0.696,109 0.82,110 0.837,111 0.837,112 3.81,113 1.072,114 -4.86,115 -4.77,116 -4.47,119 39.1,120 1,121 9,125 7,126 2,127 1,132 9,133 3,141 2,144 2,155 17,158 5,160 2,162 4,163 23,165 1,166 5,168 1,169 1,170 8,173 14,175 1,176 7,181 5,183 10,185 1,186 9,189 2,191 6,193 15,196 8,200 7,203 17,205 2,206 9,211 6,214 17,218 9,221 1,223 4,224 22,227 11,229 1,231 3,234 22,238 5002,239 30.161,240 30.161,241 30.161,242 30.161,243 30.161,244 28.04,245 35.248,246 17.985,247 30.771,248 24.219,249 24.219,250 24.219,251 24.219,252 24.219,253 20.972,254 46.814,255 8.576,256 25.198,257 5.076,258 3.255,259 1.834,260 0.998,261 0.878,262 0.878,263 4.521,267 1,268 1614,269 4.69,271 268.827,272 705.17,274 234.727,277 2.529,278 38.595,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 93,289 729,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 3.138,310 6.143,311 3.81,312 2.87,313 3.455,314 0.86,315 9.054,316 2.699,317 3.886,318 2.957,319 5.817,320 3.654,321 2.667,322 3.307,323 0.8,324 7.88,325 2.633,326 3.869,327 2.882,328 5.605,329 3.503,330 2.512,331 2.87,332 0.8,333 7.733,334 2.475,335 3.492,336 2.782,337 5.327,338 3.362,339 2.439,340 2.815,341 0.248,342 6.919,343 2.263,344 3.46,345 2.7,346 5.142,347 3.218,348 2.243,349 2.506,351 6.288,352 2.168,353 3.378,354 2.363,355 4.957,356 3.075,357 2.077,358 2.411,360 5.787,361 2.068,362 3.03,363 2.302,364 4.71,365 2.76,366 1.827,367 2.289,369 4.525,370 1.716,371 2.967,372 2.255,373 4.446,374 2.681,375 1.67,376 2.06,378 4.321,379 1.662,380 2.844,381 1.646,382 4.402,383 2.463,384 1.53,385 1.87,387 4.263,388 1.431,389 2.785,390 1.598,391 4.176,392 2.434,393 1.438,394 1.798,396 3.381,397 1.405,398 2.643,399 1.514,400 3.618,401 2.277,402 1.312,403 1.622,405 3.061,406 1.255,407 2.5,408 1.5,409 3.607,410 2.131,411 1.208,412 1.5,414 2.766,415 1.105,416 2.268,417 1.418,418 3.544,419 2,420 1.034,421 1.254,423 2.472,424 1,425 21.433,426 0.487,427 0.959,428 0.022,429 45,430 1.023,431 17,432 0.386,433 28,434 0.636,435 56.987,436 1.295,437 49.367,438 0.537,439 35.341,440 0.803,441 7.928,442 0.18,443 13.543,444 0.308,445 0.054,446 0.023,447 0.247,450 0.767,451 1.337,452 0.867,453 1.104,454 0.556,455 1.061,456 0.993,457 1.149,458 0.965,459 0.998,460 0.571,461 1.025,462 1.01,463 1.075,464 1.048,465 1.045,466 0.836,467 1.054,468 1.07,469 0.989,470 0.961,471 0.963,472 1.267,473 0.98,474 1.152,475 0.966,476 0.999,477 0.961,478 1.445,479 0.94,480 1.284,481 1.025,482 1.058,483 1.004,484 1.317,485 0.961,486 1.111,487 0.993,488 1.035,489 0.983,490 1.164,491 0.97,492 1.011,493 0.988,494 0.914,495 0.943,496 1.228,497 0.993,498 9,499 0.22,500 4.667,501 2.604,502 2.308,503 1.212,504 1.086,505 0.694,506 0.517,507 0.442,508 38171,509 78344,510 2.145,511 52.2,512 7,513 25,516 2,518 10,519 4,520 1.825,521 2.054,522 3.952,523 0.058,527 133.217,528 1.448,529 3.269,530 4.689,531 5.526,532 5.646,533 5.646,534 3.467,535 4.897,536 5.428,537 4.175,538 3949.26,539 9.631,540 76000.3,544 600.168,545 1.285,546 5.408,547 0.184,548 0.004,549 0.069,550 0.039,551 0.037,552 0.019,553 0.017,554 0.011,555 0.008,556 0.007,557 0.392,558 0.17,559 0.63,560 0.388,561 257.863,562 0.003,563 -0.098,564 0.08,565 0.007,566 0.005,567 0.028,568 0.009,569 0.004,570 0.023,571 0.035,572 0.056,573 -0.005,574 0.007,575 -0.007,576 -0.042,577 -0.055,578 0.009,579 -0.069,580 -0.039,581 0.004,582 0.004,583 -0.009,584 -0.037,585 -0.008,586 0.051,587 0.006,588 0.032,589 0.026,590 0.101,591 0.034,592 -0.078,593 -0.021,594 0.005,595 -0.004,596 -0.029,597 0.011,598 -0.02,599 0.007,600 -0.037,601 -0.005,602 -0.003,603 0.008,604 -0.051,605 0.012,606 -0.01,607 0.004,608 -0.042,609 -0.007,610 2.098,611 7.056,612 0.727,613 62.411,614 0.988,615 1.127,616 3.627,617 13.153,618 0.65,619 3.912,620 4.234,621 4.5,622 4.745,623 4.934,624 4.963,625 5.069,626 5.198,627 5.231,628 5.308,629 9.629,630 0.598,631 616.95,632 3.912,633 5.46,634 6.308,635 7.183,636 8.048,637 8.927,638 9.799,639 10.682,640 11.559,641 12.443,642 4.3,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 92,672 18,673 2,674 49,676 97,677 36,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 7,692 1,694 11,696 16,697 20,698 1,699 2,703 2,707 2,713 48,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 1,761 44,766 16,767 2,768 1,770 2,771 2,772 1,774 1,778 3.3,781 2,782 1,785 21.417,786 16.233,787 9.625,788 6.122,789 2.081,790 1.251,791 0.973,792 10.688,793 10.358,794 4.094,795 4.603,796 5.095,797 5.595,798 6.05,799 6.253,800 6.538,801 6.902,802 6.839,803 6.915,804 1,805 67,806 16.534,807 7.164,808 7.498,809 32.892,810 28.439,811 1.998,812 87.917,815 541.471,816 188.371,817 42.27,819 61.29,821 31.278,822 157.093,823 602.76,824 42.27,825 8.825,826 78.546,827 85.286,828 70.699,829 15.193,830 2.104,831 572.748,833 541.471,834 199.363,835 61.29,836 31.278,838 376.675,839 215.085,840 11,841 93.619,842 105.744,844 31.278,845 541.471,846 103.56,847 188.371,850 541.471,851 94.259,852 100.36,853 36.022,854 61.29,855 541.471,856 103.56,857 188.371,859 0.579,860 0.338,861 0.182,862 0.097,863 32,864 13,865 0.113,866 11,867 1,868 1.063,869 5.404,870 452.254,871 0.063,872 32,873 221.46,874 1,878 31.662,879 14.853,880 8.109,881 2.178,882 103.56,883 18.676,887 1.505,888 3.081,890 36.022,891 833.401,892 59,896 27.574,900 -0.159,902 90.905,903 103.676,904 0.222,905 0.501,906 0.719,907 0.847,908 0.865,909 0.865,910 5.357,911 2.077,912 6.293,913 6.288,914 4.92,915 5.291,916 2.583,917 7.112,918 4.847,919 6.519,920 1.827,921 7.857,922 5.787,923 4.511,924 5.037,925 1.738,926 8.249,927 4.408,928 7.813,929 1.67,930 9.536,931 4.525,932 6.547,933 7.362,934 3.225,935 11.319,936 6.406,937 9.141,938 1.53,939 11.291,940 4.321,941 7.022,942 7.986,943 3.141,944 13.421,945 6.856,946 10.509,947 1.438,948 13.103,949 4.263,950 8.512,951 9.802,952 4.271,953 16.106,954 8.314,955 11.903,956 1.312,957 14.958,958 3.381,959 9.391,960 10.843,961 4.564,962 18.561,963 9.172,964 13.319,965 1.208,966 16.847,967 3.061,968 10.685,969 12.461,970 5.488,971 21.18,972 10.44,973 3.502,974 1.034,975 18.764,976 2.766,977 11.752,978 13.717,979 5.962,980 23.751,981 11.49,982 3.048,983 13.894,984 20.702,985 2.472,986 12.982,987 15.251,988 6.773,989 26.369,990 12.701,991 2.87,992 9.799,993 22.659,994 4.454,995 14.136,996 16.618,997 7.337,998 28.978,999 13.84,1000 2.667,1001 9.054,1002 24.63,1003 3.689,1004 15.354,1005 18.12,1006 8.087,1007 31.601,1008 15.041,1009 2.512,1010 7.88,1011 26.613,1012 3.455,1013 16.548,1014 19.545,1015 8.698,1016 34.224,1017 16.223,1018 2.439,1019 7.733,1020 28.606,1021 3.307,1022 17.769,1023 21.035,1024 9.414,1025 36.851,1026 17.429,1027 2.243,1028 6.919,1029 30.606,1030 2.87,1031 18.986,1032 22.491,1033 10.051,1034 39.479,1035 18.632,1036 34993,1037 50388,1038 33.572,1039 59.785,1040 73.302,1041 74.69,1042 74.754,1043 72.896,1044 72.874,1045 86.835,1046 11.445,1047 207.32,1048 70.19,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.961,1059 1.496,1060 1.524,1061 1.526,1062 1.488,1063 1.487,1064 1.772,1065 0.234,1066 4.231,1067 1.432,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.978,1075 4.021,1076 3.898,1077 3.888,1078 7.424,1079 3.881,1080 3.905,1081 3.961,1082 3.804,1083 3.791,1084 4.85,1085 3.787,1086 3.889,1087 3.928,1088 3.797,1089 3.746,1090 4.753,1091 3.748,1092 3.719,1093 3.782,1094 3.588,1095 3.551,1096 4.63,1097 3.547,1098 3.616,1099 3.679,1100 3.56,1101 3.469,1102 4.36,1103 3.441,1104 3.537,1105 3.566,1106 3.475,1107 3.434,1108 4.31,1109 3.435,1110 3.366,1111 3.434,1112 3.227,1113 3.174,1114 4.187,1115 3.172,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.589,1122 0.091,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.088,1137 2.076,1138 1.454,1139 2.082,1140 1.934,1141 1.901,1142 2.056,1143 2.027,1144 1.354,1145 2.039,1146 1.871,1147 1.81,1148 2.033,1149 1.995,1150 1.211,1151 2.015,1152 1.742,1153 1.702,1154 1.926,1155 1.919,1156 1.201,1157 1.921,1158 1.672,1159 1.619,1160 1.86,1161 1.889,1162 1.188,1163 1.883,1164 1.587,1165 1.533,1166 1.859,1167 1.777,1168 1.167,1169 1.797,1170 1.577,1171 1.507,1172 1.819,1173 1.751,1174 1.098,1175 1.793,1176 1.479,1177 1.466,1178 1.61,1179 1.594,1180 0.859,1181 1.605,1182 4.595,1183 5.916,1184 3.045,1185 7.425,1186 5.352,1187 9.016,1188 7.424,1189 10.651,1191 2.067,1197 15.692,1198 6.671,1199 5.547,1201 0.715,1202 5.217,1203 -0.848,1206 55.007,1207 133.217,1208 300.75,1209 431.4,1210 508.393,1211 519.413,1212 519.413,1213 94.053,1214 8.277,1215 73.91,1216 102.15,1217 34,1218 12.978,1219 4.248,1220 3.459,1221 65.963,1222 245,1223 292,1224 0.121,1225 335.685,1226 589.62,1227 810.831,1228 51681,1230 30.357,1231 0.69,1232 0.614,1233 30.711,1234 27.008,1235 21.471,1236 0.438,1237 0.357,1238 16.6,1239 20.414,1240 16.158,1241 13.278,1242 21.879,1243 17.508,1244 19.273,1245 0.283,1246 0.209,1247 19.915,1248 14.203,1249 16.302,1250 0.183,1251 0.124,1252 17.139,1253 11.047,1254 13.509,1255 0.119,1256 0.074,1257 14.41,1258 8.432,1259 10.708,1260 0.078,1261 0.042,1262 11.479,1263 5.743,1264 0.194,1265 137.04,1266 0.173,1267 39.228,1268 0.321,1269 234,1270 548.023,1271 275.867,1272 549.233,1273 752.87,1274 518,1275 274,1276 528.455,1277 315.379,1278 552.453,1279 812.71,1280 522,1281 7.8}
{0 CHEMBL1083855,1 1.436,2 16.578,3 5.296,4 28.042,5 184.843,6 6.642,7 0.32,8 4.62,9 4.751,10 4.12,11 4.176,12 5.529,13 4.109,14 5.242,15 5.437,16 4.511,17 4.626,18 6.089,19 4.524,20 5.576,21 5.816,22 4.58,23 4.8,24 6.383,25 4.659,26 5.691,27 5.959,28 4.527,29 4.821,30 6.498,31 4.658,32 5.698,33 5.967,34 4.547,35 4.82,36 6.576,37 4.656,38 5.701,39 5.962,40 4.587,41 4.84,42 6.523,43 4.682,44 5.716,45 5.989,46 4.532,47 4.839,48 6.502,49 4.682,50 5.673,51 5.931,52 4.555,53 4.834,54 6.534,55 4.693,56 0.091,57 1.37,58 23.456,59 9.801,60 11.476,61 13.462,62 0.424,63 2.358,64 45.672,65 16.905,66 36.171,67 23.653,68 0.643,69 3.076,70 66.155,71 22.479,72 56.889,73 32.119,74 0.741,75 3.25,76 72.909,77 25.152,78 67.751,79 35.708,80 0.796,81 3.202,82 75.105,83 26.155,84 116.485,85 36.394,86 0.773,87 3.29,88 76.779,89 25.523,90 84.452,91 35.897,92 0.668,93 3.299,94 75.426,95 26.095,96 69.38,97 36.915,98 0.782,99 3.185,100 70.34,101 24.502,102 88.889,103 34.767,104 17,105 70,106 0.212,107 0.483,108 0.698,109 0.806,110 0.831,111 0.839,112 3.832,113 1.074,114 -5.03,115 -4.93,116 -4.62,119 38.9,120 1,121 10,124 1,125 5,126 3,127 1,132 9,133 3,141 2,144 2,155 16,158 9,160 2,162 4,163 24,166 4,168 1,169 1,170 7,173 13,175 2,176 8,179 1,181 5,183 13,185 1,186 6,189 1,191 6,193 11,195 1,196 13,200 8,203 15,206 10,209 1,211 4,214 14,217 1,218 10,221 1,223 4,224 26,226 1,227 5,231 5,234 24,238 5261,239 30.661,240 30.661,241 30.661,242 30.661,243 30.661,244 28.54,245 38.785,246 18.141,247 31.258,248 24.676,249 24.676,250 24.676,251 24.676,252 24.676,253 21.429,254 57.171,255 8.635,256 25.628,257 5.134,258 3.297,259 1.836,260 1.103,261 0.937,262 0.879,263 4.541,267 1,268 1645,269 4.899,271 276.589,272 721.934,274 241.656,277 2.553,278 39.493,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 95,289 746,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.391,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.975,309 3.222,310 6.351,311 3.918,312 2.974,313 3.455,314 0.86,315 9.668,316 2.806,317 3.937,318 2.958,319 5.817,320 3.661,321 2.68,322 3.307,323 0.8,324 7.886,325 2.636,326 3.886,327 2.901,328 5.615,329 3.503,330 2.513,331 2.974,332 0.8,333 7.751,334 2.475,335 3.549,336 2.791,337 5.407,338 3.448,339 2.502,340 2.815,341 0.248,342 7.086,343 2.365,344 3.481,345 2.7,346 5.165,347 3.221,348 2.242,349 2.568,351 6.308,352 2.19,353 3.37,354 2.44,355 5.102,356 3.077,357 2.091,358 2.419,360 6.062,361 2.069,362 3.104,363 2.363,364 4.957,365 3.028,366 2.071,367 2.289,369 5.786,370 1.962,371 3.029,372 2.235,373 4.699,374 2.675,375 1.659,376 2.107,378 4.311,379 1.676,380 2.958,381 1.938,382 4.402,383 2.463,384 1.53,385 2.06,387 4.251,388 1.417,389 2.781,390 1.646,391 4.176,392 2.425,393 1.498,394 1.806,396 3.381,397 1.405,398 2.643,399 1.513,400 3.9,401 2.372,402 1.414,403 1.622,405 3.318,406 1.313,407 2.5,408 1.5,409 3.618,410 2.247,411 1.276,412 1.5,414 3.03,415 1.223,416 2.493,417 1.418,418 3.597,419 2,420 1,421 1.492,423 2.396,424 1,425 21.933,426 0.487,427 1.048,428 0.023,429 45.5,430 1.011,431 17,432 0.378,433 28.5,434 0.633,435 60.2,436 1.338,437 50.667,438 0.533,439 36.414,440 0.809,441 7.952,442 0.177,443 13.93,444 0.31,445 0.076,446 0.023,447 0.264,450 0.768,451 1.341,452 0.877,453 1.114,454 0.567,455 1.072,456 0.988,457 1.138,458 0.957,459 0.99,460 0.569,461 1.015,462 1.046,463 1.12,464 1.056,465 1.067,466 0.84,467 1.069,468 1.091,469 0.967,470 0.978,471 0.953,472 1.252,473 0.984,474 1.084,475 0.991,476 0.969,477 0.959,478 1.369,479 0.934,480 1.219,481 1.039,482 1.054,483 1.012,484 1.244,485 0.983,486 1.077,487 0.982,488 0.974,489 0.96,490 1.018,491 0.934,492 1.327,493 0.908,494 0.935,495 0.853,496 1.517,497 0.923,498 9.5,499 0.34,500 5.111,501 2.979,502 2.788,503 1.101,504 1.188,505 0.911,506 0.43,507 0.473,508 39670,509 80233,510 2.128,511 52.6,512 7,513 25,516 2,518 6,519 10,520 1.831,521 2.022,522 3.948,523 0.049,527 136.439,528 1.436,529 3.273,530 4.734,531 5.467,532 5.633,533 5.691,534 3.452,535 4.986,536 5.461,537 4.175,538 4133.57,539 9.698,540 80283.8,544 624.136,545 1.367,546 5.433,547 0.19,548 0.006,549 0.073,550 0.043,551 0.042,552 0.016,553 0.017,554 0.013,555 0.006,556 0.007,557 0.413,558 0.17,559 0.63,560 0.432,561 264.884,562 0.006,563 -0.096,564 0.079,565 0.007,566 0.001,567 0.028,568 0.016,569 0.017,570 0.036,571 0.049,572 0.06,573 0.012,574 -0.024,575 -0.043,576 -0.048,577 -0.072,578 0.004,579 -0.079,580 -0.013,581 0.036,582 -0.01,583 -0.006,584 -0.038,585 -0.018,586 0.054,587 -0.021,588 0.048,589 0.025,590 0.109,591 0.042,592 -0.043,593 -0.031,594 -0.006,595 -0.019,596 -0.014,597 -0.009,598 -0.027,599 0.003,600 0.011,601 0.003,602 0.018,603 0.038,604 -0.089,605 0.088,606 -0.007,607 0.075,608 -0.086,609 0.041,610 2.106,611 7.12,612 0.711,613 64.293,614 0.987,615 1.127,616 3.804,617 14.468,618 0.648,619 3.932,620 4.263,621 4.533,622 4.771,623 4.963,624 4.99,625 5.106,626 5.247,627 5.288,628 5.375,629 9.645,630 0.595,631 630.98,632 3.932,633 5.485,634 6.337,635 7.215,636 8.082,637 8.964,638 9.839,639 10.722,640 11.602,641 12.488,642 4.2,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 95,672 18,673 2,674 50,676 100,677 37,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 10,692 1,694 13,696 16,697 21,698 1,699 2,703 2,707 2,713 50,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 2,761 45,766 15,767 2,768 1,770 3,771 2,772 1,774 1,778 3.2,781 2,782 1,785 22.25,786 17.067,787 9.819,788 6.272,789 2.063,790 1.248,791 0.966,792 10.92,793 10.39,794 4.111,795 4.623,796 5.113,797 5.606,798 6.059,799 6.261,800 6.55,801 6.914,802 6.856,803 6.942,804 1,805 70,806 16.91,807 7.326,808 7.494,809 33.648,810 29.144,811 1.994,812 89.75,815 565.013,816 195.09,817 42.27,819 61.29,821 31.278,822 163.813,823 626.303,824 42.27,825 17.222,826 76.869,827 85.286,828 70.699,829 15.193,830 2.104,831 596.291,833 565.013,834 206.083,835 61.29,836 31.278,838 376.675,839 238.627,840 11,841 91.943,842 114.14,844 31.278,845 565.013,846 103.56,847 195.09,850 565.013,851 92.582,852 108.756,853 36.022,854 61.29,855 565.013,856 103.56,857 195.09,859 0.582,860 0.342,861 0.182,862 0.097,863 33,864 14,865 0.11,866 11,867 1,868 1.063,869 5.414,870 469.933,871 0.063,872 32,873 229.133,874 1,878 32.622,879 15.064,880 8.163,881 2.176,882 103.56,883 18.685,887 1.505,888 3.074,890 36.022,891 863.663,892 60,896 27.673,900 -0.165,902 93.788,903 107.091,904 0.219,905 0.498,906 0.721,907 0.832,908 0.857,909 0.866,910 5.38,911 2.091,912 6.33,913 6.308,914 4.949,915 5.311,916 2.583,917 7.157,918 4.878,919 6.547,920 2.071,921 7.902,922 6.062,923 4.575,924 5.075,925 1.738,926 8.298,927 4.472,928 7.843,929 1.659,930 9.587,931 5.786,932 6.586,933 7.379,934 3.225,935 11.37,936 6.449,937 9.174,938 1.53,939 11.347,940 4.311,941 7.083,942 8.009,943 3.141,944 13.458,945 6.915,946 10.543,947 1.498,948 13.161,949 4.251,950 8.559,951 9.815,952 4.271,953 16.144,954 8.361,955 11.937,956 1.414,957 15.016,958 3.381,959 9.447,960 10.857,961 4.564,962 18.587,963 9.224,964 13.353,965 1.276,966 16.904,967 3.318,968 10.734,969 12.47,970 5.488,971 21.203,972 10.485,973 3.502,974 1,975 18.817,976 3.03,977 11.802,978 13.724,979 5.962,980 23.767,981 11.533,982 3.048,983 13.894,984 20.753,985 2.396,986 13.029,987 15.256,988 6.773,989 26.382,990 12.74,991 2.974,992 9.799,993 22.706,994 4.454,995 14.181,996 16.622,997 7.337,998 28.987,999 13.875,1000 2.68,1001 9.668,1002 24.673,1003 3.689,1004 15.395,1005 18.122,1006 8.087,1007 31.608,1008 15.072,1009 2.513,1010 7.886,1011 26.652,1012 3.455,1013 16.587,1014 19.547,1015 8.698,1016 34.229,1017 16.25,1018 2.502,1019 7.751,1020 28.64,1021 3.307,1022 17.805,1023 21.036,1024 9.414,1025 36.855,1026 17.453,1027 2.242,1028 7.086,1029 30.637,1030 2.974,1031 19.018,1032 22.492,1033 10.051,1034 39.482,1035 18.653,1036 36536,1037 52249,1038 33.978,1039 61.546,1040 75.244,1041 76.717,1042 77.016,1043 74.885,1044 74.873,1045 88.836,1046 11.445,1047 214.829,1048 72.189,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 18.826,1059 1.505,1060 1.534,1061 1.54,1062 1.498,1063 1.497,1064 1.777,1065 0.229,1066 4.297,1067 1.444,1068 4.104,1069 4.119,1070 4.338,1071 4.118,1072 7.433,1073 4.068,1074 3.983,1075 4.025,1076 3.902,1077 3.889,1078 7.424,1079 3.882,1080 3.907,1081 3.96,1082 3.804,1083 3.792,1084 4.85,1085 3.789,1086 3.889,1087 3.928,1088 3.801,1089 3.758,1090 4.753,1091 3.759,1092 3.767,1093 3.826,1094 3.636,1095 3.602,1096 4.622,1097 3.601,1098 3.61,1099 3.673,1100 3.561,1101 3.47,1102 4.387,1103 3.458,1104 3.537,1105 3.566,1106 3.473,1107 3.464,1108 4.317,1109 3.438,1110 3.355,1111 3.436,1112 3.223,1113 3.112,1114 4.188,1115 3.125,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.091,1137 2.08,1138 1.462,1139 2.087,1140 1.934,1141 1.901,1142 2.057,1143 2.025,1144 1.351,1145 2.037,1146 1.879,1147 1.821,1148 2.033,1149 1.995,1150 1.291,1151 2.015,1152 1.754,1153 1.707,1154 1.969,1155 1.942,1156 1.211,1157 1.953,1158 1.719,1159 1.676,1160 1.875,1161 1.907,1162 1.197,1163 1.897,1164 1.588,1165 1.542,1166 1.86,1167 1.76,1168 1.188,1169 1.793,1170 1.577,1171 1.507,1172 1.801,1173 1.751,1174 1.059,1175 1.778,1176 1.474,1177 1.457,1178 1.61,1179 1.594,1180 0.825,1181 1.603,1182 4.615,1183 5.943,1184 3.045,1185 7.458,1186 5.352,1187 9.054,1188 7.424,1189 10.692,1191 4.374,1197 14.524,1198 6.689,1199 5.586,1201 1.288,1202 5.197,1203 -0.856,1206 56.533,1207 136.439,1208 310.908,1209 449.754,1210 519.342,1211 535.117,1212 540.627,1213 99.394,1214 8.327,1215 73.91,1216 102.15,1217 34,1218 13.021,1219 4.248,1220 3.459,1221 68.235,1222 251,1223 293,1224 0.122,1225 345.277,1226 606.92,1227 834.236,1228 54196,1230 31.227,1231 0.694,1232 0.62,1233 31.581,1234 27.879,1235 21.882,1236 0.438,1237 0.358,1238 16.987,1239 20.82,1240 16.484,1241 13.575,1242 22.29,1243 17.898,1244 19.779,1245 0.283,1246 0.21,1247 20.421,1248 14.71,1249 16.881,1250 0.183,1251 0.126,1252 17.718,1253 11.594,1254 13.779,1255 0.118,1256 0.074,1257 14.68,1258 8.699,1259 10.921,1260 0.077,1261 0.042,1262 11.692,1263 5.929,1264 0.196,1265 139.551,1266 0.172,1267 39.819,1268 0.326,1269 240,1270 554.023,1271 281.867,1272 556.078,1273 762.49,1274 524,1275 282,1276 536.455,1277 323.268,1278 562.146,1279 825.36,1280 530,1281 7.8}
{0 CHEMBL1083856,1 1.425,2 17.457,3 5.876,4 34.522,5 189.486,6 6.582,7 0.314,8 4.648,9 4.78,10 4.139,11 4.203,12 5.55,13 4.133,14 5.271,15 5.468,16 4.526,17 4.652,18 6.109,19 4.547,20 5.607,21 5.85,22 4.593,23 4.825,24 6.403,25 4.681,26 5.718,27 5.989,28 4.539,29 4.846,30 6.515,31 4.681,32 5.725,33 5.996,34 4.551,35 4.848,36 6.594,37 4.678,38 5.732,39 6,40 4.584,41 4.86,42 6.53,43 4.695,44 5.723,45 5.991,46 4.525,47 4.851,48 6.513,49 4.689,50 5.702,51 5.97,52 4.535,53 4.849,54 6.517,55 4.694,56 0.097,57 1.409,58 24.34,59 10.148,60 11.913,61 13.986,62 0.432,63 2.422,64 47.196,65 17.493,66 36.731,67 24.556,68 0.655,69 3.156,70 68.169,71 23.224,72 57.678,73 33.291,74 0.731,75 3.324,76 74.725,77 25.784,78 68.372,79 36.777,80 0.826,81 3.278,82 76.83,83 27.097,84 117.092,85 37.656,86 0.728,87 3.349,88 78.796,89 26.51,90 82.119,91 37.302,92 0.7,93 3.313,94 75.716,95 26.35,96 75.728,97 37.308,98 0.746,99 3.26,100 72.065,101 25.406,102 80.404,103 36.342,104 17,105 71,106 0.209,107 0.474,108 0.696,109 0.822,110 0.842,111 0.842,112 3.853,113 1.082,114 -5.21,115 -5.1,116 -4.77,119 38.8,120 1,121 11,124 1,125 5,126 3,127 1,132 9,133 3,141 2,144 2,155 17,158 9,160 2,162 4,163 24,166 5,168 1,169 1,170 8,173 14,175 2,176 7,181 5,183 14,185 1,186 7,189 2,191 6,193 15,196 12,200 7,203 17,205 1,206 9,211 6,214 17,217 1,218 9,221 1,223 4,224 24,227 10,229 1,231 3,234 24,238 5716,239 31.368,240 31.368,241 31.368,242 31.368,243 31.368,244 29.247,245 38.785,246 18.627,247 31.965,248 25.176,249 25.176,250 25.176,251 25.176,252 25.176,253 21.929,254 54.671,255 8.863,256 26.13,257 5.19,258 3.382,259 1.867,260 1.005,261 0.873,262 0.873,263 4.562,267 1,268 1769,269 5,271 286.236,272 747.959,274 249.934,277 2.603,278 39.573,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 97,289 803,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.391,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.974,309 3.222,310 6.351,311 3.918,312 2.974,313 3.455,314 0.86,315 9.667,316 2.805,317 3.937,318 2.957,319 5.817,320 3.655,321 2.669,322 3.307,323 0.8,324 7.88,325 2.633,326 3.886,327 2.884,328 5.606,329 3.503,330 2.514,331 2.974,332 0.8,333 7.733,334 2.475,335 3.528,336 2.81,337 5.412,338 3.452,339 2.511,340 2.815,341 0.248,342 7.095,343 2.362,344 3.484,345 2.701,346 5.15,347 3.233,348 2.252,349 2.538,351 6.296,352 2.205,353 3.4,354 2.438,355 5.125,356 3.077,357 2.11,358 2.459,360 6.111,361 2.069,362 3.115,363 2.363,364 4.957,365 3.055,366 2.076,367 2.289,369 5.787,370 1.993,371 3.03,372 2.26,373 4.709,374 2.69,375 1.674,376 2.117,378 4.326,379 1.691,380 2.964,381 1.947,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.439,389 2.806,390 1.646,391 4.176,392 2.447,393 1.511,394 1.842,396 3.381,397 1.405,398 2.643,399 1.523,400 3.904,401 2.385,402 1.429,403 1.622,405 3.331,406 1.331,407 2.505,408 1.5,409 3.618,410 2.268,411 1.301,412 1.505,414 3.056,415 1.243,416 2.5,417 1.418,418 3.605,419 2.066,420 1.096,421 1.5,423 2.544,424 1.052,425 22.433,426 0.488,427 1.048,428 0.023,429 46,430 1,431 17,432 0.37,433 29,434 0.63,435 62.319,436 1.355,437 51.967,438 0.53,439 36.493,440 0.793,441 7.952,442 0.173,443 14.43,444 0.314,445 0.074,446 0.022,447 0.259,450 0.77,451 1.345,452 0.888,453 1.122,454 0.568,455 1.082,456 0.987,457 1.147,458 0.966,459 1.002,460 0.569,461 1.027,462 1.04,463 1.116,464 1.051,465 1.064,466 0.835,467 1.065,468 1.107,469 0.975,470 0.978,471 0.95,472 1.252,473 0.98,474 1.065,475 0.975,476 0.982,477 0.971,478 1.371,479 0.952,480 1.209,481 1.012,482 1.028,483 0.994,484 1.234,485 0.959,486 1.113,487 1.021,488 1.012,489 0.992,490 1.108,491 0.973,492 1.162,493 0.912,494 0.913,495 0.868,496 1.235,497 0.931,498 9.5,499 0.253,500 5.111,501 3.104,502 2.628,503 1.212,504 1.127,505 0.789,506 0.546,507 0.442,508 43165,509 86262,510 2.125,511 53.1,512 7,513 25,516 2,518 10,519 8,520 1.835,521 2.022,522 4.024,523 0.04,527 139.643,528 1.425,529 3.233,530 4.747,531 5.609,532 5.742,533 5.742,534 3.485,535 5.116,536 5.493,537 4.248,538 4397,539 9.756,540 88015.7,544 648.242,545 1.352,546 5.466,547 0.186,548 0.004,549 0.072,550 0.044,551 0.039,552 0.018,553 0.016,554 0.011,555 0.008,556 0.006,557 0.405,558 0.17,559 0.63,560 0.426,561 273.722,562 0.008,563 -0.094,564 0.079,565 0.007,566 0.003,567 0.027,568 0.019,569 0.009,570 0.033,571 0.041,572 0.062,573 0.005,574 -0.018,575 -0.041,576 -0.041,577 -0.068,578 0.008,579 -0.073,580 -0.027,581 0.029,582 -0.01,583 -0.002,584 -0.037,585 -0.013,586 0.067,587 -0.003,588 0.034,589 0.016,590 0.108,591 0.026,592 -0.057,593 -0.018,594 0.016,596 -0.013,597 0.016,598 -0.029,599 -0.032,600 -0.022,601 -0.021,602 0.006,603 0.003,604 -0.051,605 0.079,606 0.008,607 0.061,608 -0.041,609 0.038,610 2.101,611 7.101,612 0.696,613 68.176,614 0.986,615 1.128,616 3.979,617 15.831,618 0.646,619 3.951,620 4.277,621 4.543,622 4.779,623 4.963,624 4.99,625 5.094,626 5.22,627 5.252,628 5.328,629 10.09,630 0.592,631 645.01,632 3.951,633 5.501,634 6.351,635 7.226,636 8.092,637 8.971,638 9.844,639 10.726,640 11.603,641 12.488,642 4.1,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 98,672 18,673 2,674 51,676 103,677 38,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 10,692 1,694 14,696 16,697 22,698 1,699 2,703 2,707 2,713 52,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 2,761 46,766 16,767 2,768 1,770 3,771 2,772 1,774 1,778 3.1,781 2,782 1,785 22.75,786 17.567,787 10.069,788 6.522,789 2.05,790 1.246,791 0.964,792 11.48,793 10.402,794 4.127,795 4.632,796 5.119,797 5.61,798 6.059,799 6.261,800 6.544,801 6.906,802 6.843,803 6.919,804 0.917,805 71,806 17.287,807 7.466,808 7.484,809 34.465,810 29.811,811 1.984,812 91.25,815 588.555,816 197.625,817 42.27,819 61.29,821 31.278,822 166.347,823 649.845,824 42.27,825 17.222,826 79.403,827 85.286,828 70.699,829 15.193,830 2.104,831 619.833,833 588.555,834 208.617,835 61.29,836 31.278,838 376.675,839 262.17,840 11,841 94.477,842 114.14,844 31.278,845 588.555,846 103.56,847 197.625,850 588.555,851 95.117,852 108.756,853 36.022,854 61.29,855 588.555,856 103.56,857 197.625,859 0.581,860 0.34,861 0.181,862 0.096,863 33,864 14,865 0.117,866 12,867 1,868 1.063,869 5.53,870 478.451,871 0.063,872 32,873 236.084,874 1,878 33.584,879 15.724,880 8.598,881 2.178,882 103.56,883 18.698,887 1.506,888 3.082,890 36.022,891 889.74,892 61,896 27.65,900 -0.158,902 96.672,903 110.506,904 0.215,905 0.489,906 0.718,907 0.848,908 0.868,909 0.868,910 5.394,911 2.11,912 6.34,913 6.296,914 4.963,915 5.321,916 2.583,917 7.163,918 4.893,919 6.557,920 2.076,921 7.909,922 6.111,923 4.575,924 5.075,925 1.738,926 8.298,927 4.472,928 7.851,929 1.674,930 9.592,931 5.787,932 6.594,933 7.383,934 3.225,935 11.371,936 6.458,937 9.179,938 1.53,939 11.35,940 4.326,941 7.083,942 8.009,943 3.141,944 13.458,945 6.915,946 10.547,947 1.511,948 13.163,949 4.266,950 8.562,951 9.816,952 4.271,953 16.143,954 8.366,955 11.94,956 1.429,957 15.017,958 3.381,959 9.447,960 10.857,961 4.564,962 18.586,963 9.224,964 13.354,965 1.301,966 16.904,967 3.331,968 10.735,969 12.47,970 5.488,971 21.203,972 10.487,973 3.502,974 1.096,975 18.818,976 3.056,977 11.802,978 13.724,979 5.962,980 23.767,981 11.533,982 3.048,983 13.894,984 20.753,985 2.544,986 13.029,987 15.256,988 6.773,989 26.382,990 12.74,991 2.974,992 9.799,993 22.706,994 4.454,995 14.18,996 16.622,997 7.337,998 28.987,999 13.874,1000 2.669,1001 9.667,1002 24.673,1003 3.689,1004 15.395,1005 18.122,1006 8.087,1007 31.608,1008 15.072,1009 2.514,1010 7.88,1011 26.652,1012 3.455,1013 16.586,1014 19.547,1015 8.698,1016 34.229,1017 16.25,1018 2.511,1019 7.733,1020 28.64,1021 3.307,1022 17.804,1023 21.036,1024 9.414,1025 36.855,1026 17.453,1027 2.252,1028 7.095,1029 30.637,1030 2.974,1031 19.017,1032 22.492,1033 10.051,1034 39.482,1035 18.653,1036 39765,1037 56530,1038 34.671,1039 63.308,1040 76.417,1041 77.88,1042 78.275,1043 75.999,1044 75.972,1045 89.931,1046 11.445,1047 216.929,1048 73.295,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 19.199,1059 1.498,1060 1.527,1061 1.535,1062 1.49,1063 1.49,1064 1.763,1065 0.224,1066 4.254,1067 1.437,1068 4.104,1069 4.119,1070 4.338,1071 4.118,1072 7.433,1073 4.068,1074 3.982,1075 4.024,1076 3.901,1077 3.889,1078 7.424,1079 3.882,1080 3.912,1081 3.966,1082 3.806,1083 3.793,1084 4.85,1085 3.789,1086 3.889,1087 3.929,1088 3.804,1089 3.761,1090 4.753,1091 3.763,1092 3.772,1093 3.831,1094 3.639,1095 3.609,1096 4.622,1097 3.607,1098 3.646,1099 3.708,1100 3.562,1101 3.51,1102 4.385,1103 3.499,1104 3.537,1105 3.566,1106 3.504,1107 3.468,1108 4.321,1109 3.439,1110 3.408,1111 3.483,1112 3.269,1113 3.2,1114 4.193,1115 3.202,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.589,1122 0.087,1123 4.082,1124 0.038,1125 7.627,1126 0.272,1127 4.485,1128 0.067,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.091,1137 2.078,1138 1.463,1139 2.086,1140 1.934,1141 1.901,1142 2.062,1143 2.03,1144 1.369,1145 2.042,1146 1.882,1147 1.823,1148 2.033,1149 1.995,1150 1.305,1151 2.015,1152 1.761,1153 1.712,1154 1.976,1155 1.947,1156 1.211,1157 1.959,1158 1.724,1159 1.68,1160 1.899,1161 1.91,1162 1.2,1163 1.903,1164 1.63,1165 1.58,1166 1.86,1167 1.797,1168 1.188,1169 1.817,1170 1.577,1171 1.507,1172 1.83,1173 1.751,1174 1.116,1175 1.793,1176 1.481,1177 1.47,1178 1.632,1179 1.619,1180 0.87,1181 1.626,1182 4.635,1183 5.958,1184 3.045,1185 7.469,1186 5.352,1187 9.062,1188 7.424,1189 10.697,1191 4.384,1197 15.898,1198 6.688,1199 5.583,1201 1.35,1202 5.242,1203 -0.851,1206 58.06,1207 139.643,1208 316.794,1209 465.235,1210 549.712,1211 562.732,1212 562.732,1213 102.838,1214 8.351,1215 73.91,1216 102.15,1217 34,1218 13.022,1219 4.248,1220 3.459,1221 70.65,1222 268,1223 316,1224 0.118,1225 354.869,1226 624.22,1227 857.641,1228 57441,1230 31.934,1231 0.694,1232 0.621,1233 32.288,1234 28.586,1235 22.382,1236 0.439,1237 0.361,1238 17.487,1239 21.32,1240 16.974,1241 13.991,1242 22.79,1243 18.398,1244 20.132,1245 0.284,1246 0.212,1247 20.774,1248 15.063,1249 17.122,1250 0.184,1251 0.127,1252 17.96,1253 11.827,1254 14.003,1255 0.119,1256 0.076,1257 14.904,1258 8.922,1259 10.989,1260 0.077,1261 0.042,1262 11.76,1263 6.022,1264 0.19,1265 142.551,1266 0.17,1267 40.702,1268 0.311,1269 244,1270 558.023,1271 285.867,1272 560.24,1273 768.25,1274 528,1275 286,1276 540.455,1277 327.268,1278 566.307,1279 831.09,1280 534,1281 7.8}
{0 CHEMBL1083857,1 1.431,2 15.732,3 6.323,4 39.98,5 168.779,6 6.696,7 0.356,8 4.514,9 4.642,10 4.014,11 4.089,12 5.459,13 4.016,14 5.116,15 5.305,16 4.396,17 4.536,18 5.996,19 4.423,20 5.462,21 5.705,22 4.456,23 4.689,24 6.292,25 4.537,26 5.556,27 5.826,28 4.404,29 4.668,30 6.402,31 4.509,32 5.514,33 5.773,34 4.415,35 4.631,36 6.492,37 4.484,38 5.477,39 5.719,40 4.46,41 4.667,42 6.389,43 4.523,44 5.53,45 5.784,46 4.419,47 4.719,48 6.373,49 4.566,50 5.577,51 5.834,52 4.458,53 4.757,54 6.437,55 4.607,56 0.091,57 1.212,58 20.985,59 9.007,60 11.27,61 12.182,62 0.33,63 2.083,64 39.933,65 15.781,66 33.738,67 21.689,68 0.534,69 2.727,70 59.282,71 20.986,72 56.362,73 29.428,74 0.562,75 2.813,76 64.335,77 22.181,78 65.522,79 31.039,80 0.83,81 2.671,82 64.106,83 21.427,84 121.169,85 29.091,86 0.653,87 2.688,88 62.529,89 20.999,90 83.2,91 28.722,92 0.53,93 2.822,94 62.785,95 22.738,96 66.866,97 31.569,98 0.577,99 2.929,100 63.508,101 23.18,102 77.724,103 32.57,104 19,105 62,106 0.215,107 0.504,108 0.7,109 0.825,110 0.854,111 0.854,112 3.741,113 1.084,114 -5.26,115 -5.14,116 -4.81,119 39.5,120 1,121 10,122 1,125 4,126 1,127 1,132 9,133 3,141 2,144 2,155 20,158 3,160 2,162 5,163 25,166 6,168 1,169 1,170 9,173 14,176 8,181 7,183 10,185 1,186 7,189 2,191 6,193 16,196 7,198 1,200 7,203 19,205 1,206 8,211 6,214 18,218 9,221 1,223 6,224 23,227 9,231 5,234 24,238 4022,239 27.963,240 27.963,241 27.963,242 27.963,243 27.963,244 25.842,245 25.872,246 16.737,247 28.341,248 22.196,249 22.196,250 22.196,251 22.196,252 22.196,253 18.95,254 26.952,255 7.895,256 22.827,257 4.996,258 3.079,259 1.778,260 0.945,261 0.753,262 0.753,263 4.443,267 1,268 1401,269 4.848,271 248.288,272 485.098,274 216.026,277 2.262,278 38.955,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 86.5,289 645,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 2.957,310 5.817,311 3.66,312 2.68,313 3.455,314 0.8,315 7.881,316 2.635,317 3.886,318 2.896,319 5.606,320 3.614,321 2.642,322 3.307,323 0.248,324 7.733,325 2.568,326 3.659,327 2.861,328 5.489,329 3.503,330 2.512,331 2.815,333 7.383,334 2.475,335 3.487,336 2.701,337 5.151,338 3.254,339 2.275,340 2.66,342 6.389,343 2.223,344 3.413,345 2.364,346 5.12,347 3.142,348 2.188,349 2.483,351 6.268,352 2.079,353 3.209,354 2.361,355 4.957,356 3.074,357 2.076,358 2.289,360 5.787,361 2.062,362 3.03,363 2.252,364 4.709,365 2.69,366 1.672,367 2.213,369 4.325,370 1.691,371 2.964,372 1.646,373 4.402,374 2.463,375 1.53,376 2.06,378 4.266,379 1.435,380 2.805,381 1.545,382 4.176,383 2.436,384 1.438,385 1.841,387 3.381,388 1.405,389 2.643,390 1.512,391 3.618,392 2.279,393 1.309,394 1.622,396 3.061,397 1.26,398 2.5,399 1.5,400 3.607,401 2.134,402 1.172,403 1.5,405 2.562,406 1.118,407 2.257,408 1.418,409 3.532,410 2,411 1.029,412 1.23,414 2.275,415 1,416 2.189,417 1.205,418 3.414,419 1.99,420 1,421 1.137,423 2.264,424 0.983,425 20.033,426 0.489,427 0.907,428 0.022,429 42,430 1.024,431 17,432 0.415,433 25,434 0.61,435 52.301,436 1.276,437 45.967,438 0.534,439 32.601,440 0.795,441 7.211,442 0.176,443 12.726,444 0.31,445 0.075,446 0.025,447 0.245,450 0.781,451 1.228,452 0.886,453 1.048,454 0.644,455 1.039,456 0.729,457 1.156,458 0.943,459 1.036,460 0.571,461 1.063,462 0.867,463 1.117,464 1.011,465 1.08,466 0.773,467 1.068,468 1.165,469 1.002,470 0.933,471 0.933,472 1.168,473 0.937,474 1.43,475 0.912,476 1.038,477 0.9,478 1.503,479 0.886,480 1.323,481 1.055,482 1.114,483 1.04,484 1.339,485 0.996,486 0.956,487 1.066,488 1.022,489 1.04,490 0.967,491 1.007,492 1.089,493 0.969,494 0.904,495 0.909,496 1.104,497 0.966,498 9,499 0.233,500 4.222,501 2.417,502 2.397,503 1.108,504 1.007,505 0.678,506 0.533,507 0.416,508 29537,509 62190,510 2.099,511 52.3,512 8,513 18,516 3,518 16,520 1.81,521 1.992,522 3.867,523 0.668,527 123.042,528 1.431,529 3.347,530 4.649,531 5.481,532 5.673,533 5.673,534 3.366,535 5.016,536 5.324,537 4.066,538 3333.84,539 9.434,540 60357.7,544 552.659,545 1.371,546 5.297,547 0.2,548 0.004,549 0.068,550 0.04,551 0.041,552 0.019,553 0.017,554 0.011,555 0.008,556 0.006,557 0.414,558 0.17,559 0.63,560 0.72,561 234.536,562 -0.035,563 -0.007,564 0.059,565 0.06,566 -0.025,567 0.051,568 0.064,569 -0.013,570 0.028,571 0.017,572 0.048,573 -0.022,574 0.033,575 -0.063,576 -0.015,577 -0.08,578 0.006,579 -0.073,580 -0.042,581 -0.016,582 0.04,583 0.007,584 -0.037,585 0.022,586 0.01,587 0.077,588 0.026,589 0.074,590 0.045,591 0.066,592 -0.063,593 -0.019,594 -0.028,595 -0.021,596 -0.055,597 -0.018,598 -0.004,599 -0.054,600 -0.035,601 -0.05,602 0.005,603 -0.016,604 -0.061,605 0.027,606 -0.002,607 0.023,608 -0.049,609 0.01,610 2.104,611 6.961,612 0.634,613 55.378,614 0.987,615 1.125,616 4.026,617 16.206,618 0.651,619 3.829,620 4.143,621 4.394,622 4.635,623 4.812,624 4.844,625 4.934,626 5.069,627 5.094,628 5.17,629 8.968,630 0.598,631 575.89,632 3.829,633 5.371,634 6.213,635 7.086,636 7.947,637 8.825,638 9.696,639 10.578,640 11.455,641 12.34,642 3.5,645 1,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 86,672 18,673 2,674 45,676 90,677 34,678 14,679 4,680 8,681 1,683 5,684 6,688 2,691 6,692 2,694 11,696 16,697 18,698 2,699 2,703 2,707 2,713 45,714 6,715 3,716 7,717 1,720 3,721 0.8,722 3,723 1,732 2,733 3,735 1,742 1,749 1,751 1,753 4,755 1,757 1,761 41,765 1,766 14,767 2,770 2,771 1,772 1,774 1,778 3.5,779 1,781 2,785 20.583,786 15.067,787 9.097,788 5.706,789 2.228,790 1.281,791 0.952,792 10.506,793 10.162,794 4.025,795 4.541,796 5.038,797 5.549,798 6.011,799 6.222,800 6.509,801 6.88,802 6.813,803 6.889,804 0.909,805 61,806 15.402,807 6.652,808 7.583,809 30.425,810 26.173,811 2.083,812 85.417,815 494.386,816 177.509,817 39.146,819 92.973,821 31.278,822 146.231,823 587.359,824 39.146,825 8.825,826 67.684,827 127.97,828 59.699,829 12.068,830 2.104,831 525.664,833 494.386,834 185.377,835 92.973,836 31.278,838 306.049,839 238.627,840 42.683,841 79.633,842 105.744,844 31.278,845 494.386,846 132.119,847 177.509,850 494.386,851 83.398,852 97.236,853 36.022,854 92.973,855 494.386,856 132.119,857 177.509,859 0.575,860 0.333,861 0.18,862 0.096,863 28,864 12,865 0.133,866 12,867 1,868 1.077,869 5.097,870 405.458,871 0.077,872 26,873 207.66,874 1,878 30.194,879 14.266,880 7.971,881 2.164,882 132.119,883 18.557,887 1.496,888 3.051,890 78.705,891 804.014,892 55,896 27.414,900 -0.184,902 84.919,903 96.762,904 0.223,905 0.521,906 0.723,907 0.853,908 0.883,909 0.883,910 5.278,911 2.076,912 6.201,913 6.268,914 4.828,915 5.228,916 2.379,917 7.018,918 4.774,919 6.449,920 1.672,921 7.765,922 5.787,923 4.443,924 4.997,925 1.668,926 8.176,927 4.361,928 7.746,929 1.53,930 9.444,931 4.325,932 6.457,933 7.323,934 3.162,935 11.239,936 6.349,937 9.079,938 1.438,939 11.201,940 4.266,941 6.948,942 7.958,943 3.128,944 13.364,945 6.811,946 10.45,947 1.309,948 13.016,949 3.381,950 8.426,951 9.779,952 4.255,953 16.055,954 8.266,955 11.848,956 1.172,957 14.875,958 3.061,959 9.319,960 10.827,961 4.561,962 18.527,963 9.132,964 13.267,965 1.029,966 16.769,967 2.562,968 10.609,969 12.449,970 5.485,971 21.154,972 10.401,973 3.502,974 1,975 18.692,976 2.275,977 11.687,978 13.708,979 5.961,980 23.734,981 11.457,982 3.048,983 13.894,984 20.638,985 2.264,986 12.92,987 15.245,988 6.772,989 26.357,990 12.671,991 2.68,992 9.799,993 22.602,994 4.454,995 14.082,996 16.614,997 7.337,998 28.97,999 13.814,1000 2.642,1001 7.881,1002 24.581,1003 3.689,1004 15.304,1005 18.117,1006 8.087,1007 31.596,1008 15.019,1009 2.512,1010 7.733,1011 26.571,1012 3.455,1013 16.506,1014 19.543,1015 8.698,1016 34.22,1017 16.204,1018 2.275,1019 7.383,1020 28.57,1021 3.307,1022 17.732,1023 21.033,1024 9.413,1025 36.849,1026 17.413,1027 2.188,1028 6.389,1029 30.576,1030 2.815,1031 18.954,1032 22.49,1033 10.051,1034 39.477,1035 18.619,1036 27762,1037 40523,1038 30.394,1039 56.018,1040 66.83,1041 68.263,1042 68.948,1043 66.416,1044 66.393,1045 80.355,1046 8.125,1047 188.265,1048 64.576,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 17.991,1059 1.485,1060 1.517,1061 1.532,1062 1.476,1063 1.475,1064 1.786,1065 0.181,1066 4.184,1067 1.435,1068 4.101,1069 4.114,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.973,1075 4.014,1076 3.894,1077 3.887,1078 7.424,1079 3.88,1080 3.892,1081 3.947,1082 3.804,1083 3.791,1084 6.456,1085 3.787,1086 3.883,1087 3.926,1088 3.764,1089 3.754,1090 4.849,1091 3.747,1092 3.67,1093 3.732,1094 3.563,1095 3.54,1096 4.752,1097 3.528,1098 3.537,1099 3.567,1100 3.526,1101 3.469,1102 4.369,1103 3.439,1104 3.478,1105 3.547,1106 3.33,1107 3.272,1108 4.312,1109 3.274,1110 3.315,1111 3.38,1112 3.19,1113 3.104,1114 4.186,1115 3.105,1116 0.102,1117 0.091,1118 0.169,1119 0.1,1120 0.078,1121 4.589,1122 0.099,1123 4.082,1124 0.043,1125 7.627,1126 0.309,1127 4.485,1128 0.076,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.097,1137 2.062,1138 1.482,1139 2.077,1140 1.934,1141 1.901,1142 2.062,1143 2.019,1144 1.359,1145 2.035,1146 1.876,1147 1.819,1148 2.033,1149 1.995,1150 1.211,1151 2.015,1152 1.74,1153 1.701,1154 1.919,1155 1.914,1156 1.201,1157 1.91,1158 1.651,1159 1.602,1160 1.86,1161 1.819,1162 1.188,1163 1.837,1164 1.577,1165 1.507,1166 1.837,1167 1.751,1168 1.132,1169 1.793,1170 1.487,1171 1.475,1172 1.702,1173 1.679,1174 0.968,1175 1.688,1176 1.425,1177 1.358,1178 1.607,1179 1.581,1180 0.825,1181 1.597,1182 4.511,1183 5.826,1184 3.045,1185 7.326,1186 5.352,1187 8.911,1188 7.424,1189 10.541,1191 2.059,1196 9.251,1197 12.662,1198 6.613,1201 0.661,1202 2.528,1203 -0.854,1206 51.458,1207 123.042,1208 287.851,1209 399.787,1210 471.375,1211 487.904,1212 487.904,1213 99.316,1214 7.934,1215 81.67,1216 109.91,1217 28,1218 12.874,1219 4.248,1220 3.459,1221 66.12,1222 214,1223 279,1224 0.142,1225 317.099,1226 556.38,1227 765.482,1228 31850,1230 28.658,1231 0.699,1232 0.614,1233 29.012,1234 25.186,1235 19.937,1236 0.443,1237 0.361,1238 15.404,1239 19.038,1240 14.964,1241 12.367,1242 20.345,1243 16.265,1244 17.77,1245 0.287,1246 0.214,1247 18.412,1248 13.279,1249 14.757,1250 0.184,1251 0.127,1252 15.595,1253 10.172,1254 12.173,1255 0.119,1256 0.075,1257 13.074,1258 7.663,1259 9.507,1260 0.078,1261 0.042,1262 10.278,1263 5.177,1264 0.226,1265 126.966,1266 0.181,1267 36.924,1268 0.38,1269 214,1270 496.792,1271 252.013,1272 505.443,1273 687.49,1274 474,1275 249,1276 476.869,1277 285.776,1278 503.146,1279 737.03,1280 475,1281 8.1}
{0 CHEMBL1083858,1 1.46,2 15.86,3 5.142,4 26.44,5 175.442,6 6.774,7 0.333,8 4.561,9 4.69,10 4.081,11 4.121,12 5.48,13 4.057,14 5.18,15 5.371,16 4.472,17 4.569,18 6.046,19 4.471,20 5.509,21 5.748,22 4.527,23 4.733,24 6.33,25 4.595,26 5.602,27 5.867,28 4.466,29 4.736,30 6.426,31 4.577,32 5.595,33 5.86,34 4.488,35 4.716,36 6.507,37 4.564,38 5.576,39 5.826,40 4.529,41 4.734,42 6.444,43 4.59,44 5.602,45 5.866,46 4.48,47 4.753,48 6.425,49 4.606,50 5.581,51 5.826,52 4.52,53 4.783,54 6.464,55 4.648,56 0.078,57 1.292,58 21.668,59 9.107,60 9.588,61 12.406,62 0.406,63 2.227,64 42.57,65 15.719,66 34.468,67 21.823,68 0.648,69 2.886,70 62.09,71 21.053,72 55.139,73 29.753,74 0.656,75 2.981,76 67.107,77 23.221,78 62.582,79 32.661,80 0.785,81 2.915,82 68.752,83 23.204,84 110.98,85 32.101,86 0.728,87 2.954,88 68.659,89 22.379,90 80.859,91 31.099,92 0.694,93 2.996,94 67.999,95 23.525,96 66.14,97 32.883,98 0.587,99 2.971,100 63.652,101 22.819,102 79.368,103 32.121,104 10,105 67,106 0.218,107 0.494,108 0.699,109 0.812,110 0.834,111 0.834,112 3.788,113 1.063,114 -4.68,115 -4.6,116 -4.32,119 39.3,120 1,121 8,125 7,126 2,127 1,132 9,133 3,141 2,144 2,155 16,158 5,160 2,162 4,163 23,165 1,166 4,168 1,169 1,170 7,173 13,175 1,176 8,179 1,181 5,183 7,185 1,186 9,189 1,191 6,193 11,195 1,196 8,200 6,203 13,205 1,206 11,209 2,211 4,214 14,218 8,223 4,224 20,226 2,227 7,231 5,234 18,238 4562,239 29.454,240 29.454,241 29.454,242 29.454,243 29.454,244 27.333,245 34.697,246 17.499,247 30.061,248 23.719,249 23.719,250 23.719,251 23.719,252 23.719,253 20.472,254 47.6,255 8.348,256 24.685,257 5.015,258 3.167,259 1.79,260 1.037,261 0.885,262 0.885,263 4.5,267 1,268 1512,269 4.583,271 259.293,272 679.166,274 226.564,277 2.322,278 38.562,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.81,288 91,289 682,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.938,309 3.148,310 6.143,311 3.808,312 2.871,313 3.455,314 0.86,315 9.055,316 2.691,317 3.886,318 2.957,319 5.817,320 3.658,321 2.674,322 3.307,323 0.8,324 7.886,325 2.632,326 3.869,327 2.891,328 5.614,329 3.503,330 2.512,331 2.87,332 0.8,333 7.749,334 2.475,335 3.51,336 2.738,337 5.327,338 3.377,339 2.435,340 2.815,341 0.248,342 6.921,343 2.297,344 3.471,345 2.699,346 5.131,347 3.183,348 2.213,349 2.535,351 6.246,352 2.132,353 3.329,354 2.363,355 4.957,356 3.074,357 2.076,358 2.365,360 5.786,361 2.066,362 3.03,363 2.348,364 4.702,365 2.735,366 1.817,367 2.289,369 4.527,370 1.697,371 2.963,372 2.225,373 4.442,374 2.66,375 1.654,376 2.06,378 4.304,379 1.622,380 2.838,381 1.646,382 4.401,383 2.463,384 1.53,385 1.86,387 4.238,388 1.411,389 2.755,390 1.553,391 4.175,392 2.414,393 1.419,394 1.764,396 3.381,397 1.405,398 2.643,399 1.504,400 3.618,401 2.251,402 1.283,403 1.622,405 3.034,406 1.228,407 2.5,408 1.5,409 3.598,410 2.074,411 1.174,412 1.5,414 2.723,415 1.045,416 2.24,417 1.418,418 3.523,419 2,420 1,421 1.194,423 2.383,424 1,425 20.933,426 0.487,427 0.959,428 0.022,429 44.5,430 1.035,431 17,432 0.395,433 27.5,434 0.64,435 54.769,436 1.274,437 48.067,438 0.54,439 35.331,440 0.822,441 7.928,442 0.184,443 13.043,444 0.303,445 0.056,446 0.024,447 0.253,450 0.766,451 1.333,452 0.856,453 1.095,454 0.555,455 1.05,456 0.995,457 1.14,458 0.956,459 0.984,460 0.572,461 1.012,462 1.032,463 1.07,464 1.054,465 1.051,466 0.845,467 1.058,468 1.074,469 1.001,470 0.963,471 0.965,472 1.275,473 0.985,474 1.174,475 0.971,476 0.986,477 0.933,478 1.443,479 0.907,480 1.309,481 1.064,482 1.097,483 1.033,484 1.343,485 0.996,486 1.053,487 0.942,488 0.99,489 0.951,490 1.063,491 0.93,492 1.209,493 1.001,494 0.936,495 0.922,496 1.523,497 0.977,498 9,499 0.323,500 4.667,501 2.479,502 2.468,503 1.101,504 1.147,505 0.815,506 0.426,507 0.433,508 35020,509 72599,510 2.148,511 51.7,512 7,513 25,516 2,518 6,519 6,520 1.821,521 2.056,522 3.882,523 0.068,527 129.977,528 1.46,529 3.309,530 4.686,531 5.439,532 5.591,533 5.591,534 3.356,535 4.99,536 5.395,537 4.101,538 3703.55,539 9.571,540 69158.6,544 576.34,545 1.3,546 5.373,547 0.188,548 0.006,549 0.07,550 0.038,551 0.04,552 0.017,553 0.018,554 0.012,555 0.006,556 0.006,557 0.4,558 0.17,559 0.75,560 0.394,561 249.211,562 0.001,563 -0.101,564 0.08,565 0.007,566 0.002,567 0.029,568 0.006,569 0.011,570 0.026,571 0.043,572 0.054,573 0.002,574 -0.016,576 -0.05,577 -0.062,579 -0.076,580 -0.012,581 -0.01,582 0.004,583 -0.015,584 -0.037,585 -0.016,586 0.033,587 0.007,588 0.049,589 0.046,590 0.102,591 0.06,592 -0.068,593 -0.04,594 -0.028,595 -0.033,596 -0.034,597 -0.026,598 0.002,599 0.054,600 0.002,601 0.019,602 0.014,603 0.045,604 -0.11,605 0.005,606 -0.024,607 0.021,608 -0.092,609 0.001,610 2.104,611 7.068,612 0.744,613 58.438,614 0.989,615 1.127,616 3.448,617 11.886,618 0.652,619 3.892,620 4.22,621 4.489,622 4.736,623 4.934,624 4.963,625 5.081,626 5.226,627 5.268,628 5.357,629 9.206,630 0.601,631 602.92,632 3.892,633 5.442,634 6.293,635 7.171,636 8.038,637 8.919,638 9.794,639 10.678,640 11.557,641 12.443,642 4.5,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 89,672 18,673 2,674 48,676 94,677 35,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 7,692 1,694 10,696 16,697 19,698 1,699 2,703 2,707 2,713 46,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 1,761 43,766 15,767 2,768 1,770 2,771 2,772 1,774 1,778 3.4,781 2,782 1,785 20.917,786 15.733,787 9.375,788 5.872,789 2.094,790 1.254,791 0.975,792 10.136,793 10.346,794 4.078,795 4.593,796 5.088,797 5.591,798 6.05,799 6.253,800 6.544,801 6.91,802 6.851,803 6.938,804 0.909,805 66,806 16.157,807 7.024,808 7.51,809 32.075,810 27.772,811 2.01,812 86.417,815 517.928,816 185.836,817 42.27,819 61.29,821 31.278,822 154.559,823 579.218,824 42.27,825 8.825,826 76.011,827 85.286,828 70.699,829 15.193,830 2.104,831 549.206,833 517.928,834 196.829,835 61.29,836 31.278,838 376.675,839 191.543,840 11,841 91.085,842 105.744,844 31.278,845 517.928,846 103.56,847 185.836,850 517.928,851 91.725,852 100.36,853 36.022,854 61.29,855 517.928,856 103.56,857 185.836,859 0.581,860 0.339,861 0.182,862 0.098,863 32,864 13,865 0.106,866 10,867 1,868 1.063,869 5.289,870 443.591,871 0.063,872 32,873 214.574,874 1,878 30.703,879 14.196,880 7.678,881 2.175,882 103.56,883 18.654,887 1.503,888 3.071,890 36.022,891 807.325,892 58,896 27.584,900 -0.168,902 88.021,903 100.261,904 0.226,905 0.511,906 0.724,907 0.84,908 0.863,909 0.863,910 5.342,911 2.076,912 6.282,913 6.246,914 4.905,915 5.281,916 2.583,917 7.106,918 4.831,919 6.509,920 1.817,921 7.85,922 5.786,923 4.511,924 5.037,925 1.738,926 8.249,927 4.408,928 7.805,929 1.654,930 9.531,931 4.527,932 6.538,933 7.358,934 3.225,935 11.318,936 6.396,937 9.136,938 1.53,939 11.288,940 4.304,941 7.022,942 7.986,943 3.141,944 13.421,945 6.856,946 10.505,947 1.419,948 13.101,949 4.238,950 8.508,951 9.801,952 4.271,953 16.106,954 8.308,955 11.901,956 1.283,957 14.957,958 3.381,959 9.391,960 10.843,961 4.564,962 18.561,963 9.171,964 13.317,965 1.174,966 16.846,967 3.034,968 10.683,969 12.461,970 5.488,971 21.18,972 10.437,973 3.502,974 1,975 18.763,976 2.723,977 11.752,978 13.717,979 5.962,980 23.751,981 11.489,982 3.048,983 13.894,984 20.702,985 2.383,986 12.982,987 15.251,988 6.773,989 26.369,990 12.699,991 2.871,992 9.799,993 22.659,994 4.454,995 14.136,996 16.619,997 7.337,998 28.978,999 13.839,1000 2.674,1001 9.055,1002 24.63,1003 3.689,1004 15.354,1005 18.12,1006 8.087,1007 31.601,1008 15.04,1009 2.512,1010 7.886,1011 26.613,1012 3.455,1013 16.549,1014 19.545,1015 8.698,1016 34.224,1017 16.222,1018 2.435,1019 7.749,1020 28.606,1021 3.307,1022 17.77,1023 21.035,1024 9.414,1025 36.851,1026 17.428,1027 2.213,1028 6.921,1029 30.606,1030 2.87,1031 18.986,1032 22.491,1033 10.051,1034 39.479,1035 18.632,1036 32094,1037 46447,1038 32.879,1039 58.023,1040 72.15,1041 73.556,1042 73.519,1043 71.749,1044 71.733,1045 85.696,1046 11.445,1047 205.115,1048 69.043,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.659,1059 1.503,1060 1.532,1061 1.532,1062 1.495,1063 1.494,1064 1.785,1065 0.238,1066 4.273,1067 1.438,1068 4.102,1069 4.116,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.978,1075 4.021,1076 3.899,1077 3.886,1078 7.424,1079 3.88,1080 3.898,1081 3.954,1082 3.804,1083 3.79,1084 4.85,1085 3.787,1086 3.887,1087 3.927,1088 3.789,1089 3.728,1090 4.753,1091 3.734,1092 3.721,1093 3.781,1094 3.589,1095 3.554,1096 4.62,1097 3.552,1098 3.576,1099 3.642,1100 3.56,1101 3.469,1102 4.373,1103 3.439,1104 3.537,1105 3.566,1106 3.439,1107 3.404,1108 4.313,1109 3.402,1110 3.285,1111 3.347,1112 3.191,1113 3.064,1114 4.184,1115 3.081,1116 0.096,1117 0.085,1118 0.159,1119 0.093,1120 0.073,1121 4.589,1122 0.093,1123 4.082,1124 0.041,1125 7.627,1126 0.289,1127 4.485,1128 0.072,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.079,1137 2.075,1138 1.423,1139 2.079,1140 1.933,1141 1.9,1142 2.045,1143 2.022,1144 1.342,1145 2.033,1146 1.855,1147 1.796,1148 2.033,1149 1.995,1150 1.211,1151 2.015,1152 1.74,1153 1.7,1154 1.929,1155 1.918,1156 1.211,1157 1.921,1158 1.681,1159 1.627,1160 1.86,1161 1.885,1162 1.19,1163 1.882,1164 1.577,1165 1.508,1166 1.857,1167 1.751,1168 1.188,1169 1.793,1170 1.55,1171 1.507,1172 1.776,1173 1.736,1174 1.034,1175 1.752,1176 1.469,1177 1.44,1178 1.607,1179 1.576,1180 0.825,1181 1.594,1182 4.575,1183 5.9,1184 3.045,1185 7.413,1186 5.352,1187 9.008,1188 7.424,1189 10.645,1191 2.065,1197 14.288,1198 6.667,1199 5.567,1201 0.667,1202 5.197,1203 -0.854,1206 53.48,1207 129.977,1208 294.496,1209 417.024,1210 484.076,1211 497.585,1212 497.585,1213 90.811,1214 8.252,1215 73.91,1216 102.15,1217 34,1218 12.977,1219 4.248,1220 3.459,1221 63.633,1222 230,1223 268,1224 0.125,1225 326.092,1226 572.32,1227 787.425,1228 48732,1230 29.65,1231 0.69,1232 0.612,1233 30.003,1234 26.301,1235 20.971,1236 0.437,1237 0.354,1238 16.1,1239 19.913,1240 15.667,1241 12.861,1242 21.379,1243 17.008,1244 18.92,1245 0.282,1246 0.207,1247 19.562,1248 13.849,1249 16.06,1250 0.183,1251 0.123,1252 16.898,1253 10.809,1254 13.286,1255 0.118,1256 0.072,1257 14.187,1258 8.161,1259 10.64,1260 0.077,1261 0.04,1262 11.411,1263 5.584,1264 0.2,1265 134.04,1266 0.174,1267 38.342,1268 0.336,1269 230,1270 544.023,1271 271.867,1272 545.071,1273 747.11,1274 514,1275 270,1276 524.455,1277 311.324,1278 548.291,1279 806.94,1280 518,1281 8.2}
{0 CHEMBL1083859,1 1.46,2 15.814,3 5.658,4 32.01,5 175.393,6 6.774,7 0.333,8 4.561,9 4.69,10 4.081,11 4.121,12 5.481,13 4.057,14 5.18,15 5.371,16 4.47,17 4.571,18 6.045,19 4.473,20 5.507,21 5.744,22 4.52,23 4.735,24 6.331,25 4.592,26 5.611,27 5.885,28 4.463,29 4.715,30 6.423,31 4.559,32 5.561,33 5.818,34 4.508,35 4.698,36 6.506,37 4.561,38 5.569,39 5.809,40 4.577,41 4.774,42 6.435,43 4.633,44 5.678,45 5.944,46 4.537,47 4.801,48 6.507,49 4.659,50 5.614,51 5.854,52 4.535,53 4.814,54 6.507,55 4.677,56 0.078,57 1.292,58 21.668,59 9.107,60 9.517,61 12.406,62 0.412,63 2.225,64 42.577,65 15.744,66 34.986,67 21.838,68 0.642,69 2.882,70 61.847,71 21.407,72 53.725,73 30.059,74 0.6,75 2.984,76 68.008,77 22.921,78 63.326,79 32.536,80 0.942,81 2.863,82 66.9,83 21.654,84 117.249,85 30.118,86 0.608,87 3.015,88 67.305,89 22.972,90 66.403,91 31.808,92 0.692,93 3.184,94 73.352,95 24.737,96 77.674,97 34.739,98 0.831,99 3.079,100 66.078,101 23.133,102 91.418,103 32.661,104 10,105 67,106 0.218,107 0.498,108 0.7,109 0.805,110 0.821,111 0.834,112 3.788,113 1.061,114 -4.68,115 -4.6,116 -4.32,119 39.3,120 1,121 7,122 1,125 8,126 1,127 1,132 9,133 3,141 2,144 2,155 18,158 3,160 2,162 3,163 22,165 1,166 8,168 2,169 1,170 7,173 12,176 7,181 5,183 5,185 3,186 8,189 1,191 5,193 7,196 13,198 2,200 6,203 10,206 9,211 4,214 12,217 3,218 6,223 5,224 19,227 10,229 1,231 5,234 18,238 4552,239 29.402,240 29.402,241 29.402,242 29.402,243 29.402,244 27.281,245 31.071,246 17.509,247 29.998,248 23.747,249 23.747,250 23.747,251 23.747,252 23.747,253 20.501,254 35.727,255 8.403,256 24.696,257 5.015,258 3.142,259 1.785,260 1.082,261 0.975,262 0.885,263 4.499,267 1,268 1506,269 4.583,271 258.632,272 677.007,274 226.148,277 2.359,278 38.483,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.81,288 91,289 680,290 4.589,291 4.083,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.945,309 3.049,310 5.818,311 3.724,312 2.774,313 3.456,314 0.86,315 8.104,316 2.659,317 3.886,318 2.954,319 5.711,320 3.625,321 2.654,322 3.307,323 0.8,324 7.839,325 2.571,326 3.736,327 2.879,328 5.583,329 3.503,330 2.512,331 2.816,332 0.8,333 7.7,334 2.475,335 3.549,336 2.706,337 5.326,338 3.421,339 2.455,340 2.746,341 0.248,342 6.945,343 2.36,344 3.477,345 2.674,346 5.104,347 3.182,348 2.22,349 2.572,351 6.192,352 2.129,353 3.304,354 2.47,355 4.962,356 3.076,357 2.079,358 2.339,360 5.795,361 2.067,362 3.045,363 2.362,364 4.932,365 2.895,366 1.964,367 2.288,369 5.65,370 1.824,371 3.025,372 2.12,373 4.623,374 2.637,375 1.628,376 2.06,378 4.294,379 1.631,380 2.937,381 1.911,382 4.401,383 2.463,384 1.53,385 2.047,387 4.151,388 1.405,389 2.696,390 1.646,391 4.175,392 2.393,393 1.424,394 1.695,396 3.381,397 1.387,398 2.643,399 1.501,400 3.618,401 2.289,402 1.391,403 1.622,405 3.046,406 1.23,407 2.5,408 1.5,409 3.598,410 2.224,411 1.252,412 1.5,414 2.996,415 1.196,416 2.413,417 1.418,418 3.587,419 2,420 1,421 1.412,423 2.353,424 1,425 20.933,426 0.487,427 0.976,428 0.023,429 44.5,430 1.035,431 17,432 0.395,433 27.5,434 0.64,435 54.671,436 1.271,437 48.067,438 0.54,439 35.632,440 0.829,441 7.931,442 0.184,443 13.023,444 0.303,445 0.056,446 0.024,447 0.253,450 0.766,451 1.333,452 0.856,453 1.095,454 0.555,455 1.05,456 1.003,457 1.11,458 0.959,459 0.971,460 0.573,461 1.004,462 0.973,463 1.103,464 1.063,465 1.098,466 0.84,467 1.102,468 1.113,469 1.014,470 0.916,471 0.924,472 1.259,473 0.926,474 1.31,475 0.919,476 1.03,477 0.878,478 1.527,479 0.876,480 1.078,481 1.128,482 1.086,483 1.12,484 1.219,485 1.063,486 1.234,487 0.973,488 0.977,489 0.922,490 1.26,491 0.899,492 1.305,493 0.971,494 1.019,495 0.921,496 1.481,497 1.021,498 9.5,499 0.231,500 4,501 2.729,502 2.548,503 1.003,504 1.351,505 0.695,506 0.474,507 0.519,508 34696,509 71759,510 2.148,511 51.7,512 7,513 26,516 2,518 11,520 1.821,521 2.056,522 3.874,523 0.068,527 129.977,528 1.46,529 3.334,530 4.691,531 5.394,532 5.501,533 5.591,534 3.343,535 4.944,536 5.393,537 4.094,538 3697.11,539 9.571,540 68701.7,544 576.34,545 1.3,546 5.373,547 0.198,548 0.004,549 0.06,550 0.042,551 0.041,552 0.015,553 0.02,554 0.01,555 0.007,556 0.008,557 0.404,558 0.17,559 0.75,560 0.394,561 248.886,562 0.001,563 -0.101,564 0.08,565 0.007,566 0.003,567 0.029,568 -0.003,569 0.041,570 0.023,571 0.057,572 0.053,573 0.01,574 0.016,575 -0.037,576 -0.062,577 -0.101,578 0.003,579 -0.113,580 -0.039,581 -0.035,582 0.053,583 0.014,584 -0.029,585 0.034,586 0.04,587 0.092,588 0.027,589 0.092,590 0.097,591 0.077,592 -0.014,593 -0.081,594 -0.034,595 -0.099,596 -0.009,597 -0.073,598 -0.076,599 0.008,600 0.014,601 0.033,602 -0.022,603 0.066,604 -0.091,605 0.052,606 -0.101,607 0.012,608 -0.101,609 -0.054,610 2.111,611 7.107,612 0.744,613 59.924,614 0.989,615 1.127,616 3.448,617 11.886,618 0.652,619 3.892,620 4.22,621 4.477,622 4.736,623 4.934,624 4.963,625 5.1,626 5.263,627 5.318,628 5.412,629 9.147,630 0.601,631 602.92,632 3.892,633 5.442,634 6.29,635 7.168,636 8.032,637 8.914,638 9.786,639 10.671,640 11.549,641 12.436,642 4.5,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 89,672 18,673 2,674 48,676 94,677 35,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 6,692 2,694 8,696 16,697 19,698 2,699 2,703 2,707 2,713 46,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 1,761 43,766 15,767 2,768 1,770 2,771 2,772 1,774 1,778 3.4,781 2,782 1,785 20.917,786 15.733,787 9.347,788 5.822,789 2.091,790 1.253,791 0.976,792 10.136,793 10.356,794 4.078,795 4.593,796 5.082,797 5.591,798 6.05,799 6.257,800 6.552,801 6.921,802 6.876,803 6.968,804 0.909,805 65,806 16.158,807 7.025,808 7.51,809 32.075,810 27.777,811 2.01,812 86.417,815 517.928,816 185.407,817 42.27,819 61.29,821 31.278,822 154.13,823 579.218,824 42.27,825 8.825,826 75.582,827 85.286,828 70.699,829 15.193,830 2.104,831 549.206,833 517.928,834 196.4,835 61.29,836 31.278,838 388.446,839 179.772,840 11,841 90.656,842 105.744,844 31.278,845 517.928,846 103.56,847 185.407,850 517.928,851 91.296,852 100.36,853 36.022,854 61.29,855 517.928,856 103.56,857 185.407,859 0.58,860 0.335,861 0.182,862 0.098,863 32,864 13,865 0.106,866 10,867 1,868 1.063,869 5.28,870 444.899,871 0.063,872 32,873 214.574,874 1,878 30.703,879 14.196,880 7.86,881 2.173,882 103.56,883 18.651,887 1.503,888 3.063,890 36.022,891 806.896,892 58,896 27.639,900 -0.175,902 88.021,903 100.261,904 0.226,905 0.515,906 0.724,907 0.833,908 0.849,909 0.863,910 5.342,911 2.079,912 6.279,913 6.192,914 4.905,915 5.281,916 2.583,917 7.096,918 4.833,919 6.509,920 1.964,921 7.84,922 5.795,923 4.511,924 5.037,925 1.738,926 8.22,927 4.415,928 7.803,929 1.628,930 9.514,931 5.65,932 6.532,933 7.355,934 3.225,935 11.29,936 6.396,937 9.131,938 1.53,939 11.264,940 4.294,941 7.004,942 7.979,943 3.141,944 13.388,945 6.849,946 10.498,947 1.424,948 13.07,949 4.151,950 8.491,951 9.796,952 4.271,953 16.078,954 8.301,955 11.891,956 1.391,957 14.921,958 3.381,959 9.365,960 10.837,961 4.564,962 18.538,963 9.159,964 13.305,965 1.252,966 16.808,967 3.046,968 10.659,969 12.457,970 5.488,971 21.162,972 10.425,973 3.502,974 1,975 18.724,976 2.996,977 11.724,978 13.713,979 5.962,980 23.739,981 11.475,982 3.048,983 13.894,984 20.664,985 2.353,986 12.956,987 15.249,988 6.773,989 26.36,990 12.686,991 2.774,992 9.799,993 22.623,994 4.454,995 14.11,996 16.616,997 7.337,998 28.972,999 13.826,1000 2.654,1001 8.104,1002 24.597,1003 3.689,1004 15.33,1005 18.118,1006 8.087,1007 31.597,1008 15.029,1009 2.512,1010 7.839,1011 26.584,1012 3.456,1013 16.527,1014 19.544,1015 8.698,1016 34.221,1017 16.212,1018 2.455,1019 7.7,1020 28.58,1021 3.307,1022 17.75,1023 21.034,1024 9.414,1025 36.849,1026 17.42,1027 2.22,1028 6.945,1029 30.583,1030 2.816,1031 18.968,1032 22.49,1033 10.051,1034 39.478,1035 18.624,1036 31841,1037 46036,1038 32.879,1039 58.023,1040 71.915,1041 73.362,1042 73.165,1043 71.504,1044 71.496,1045 85.455,1046 11.445,1047 204.039,1048 68.85,1049 5.589,1050 6.083,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.316,1057 5.436,1058 15.64,1059 1.498,1060 1.528,1061 1.524,1062 1.49,1063 1.489,1064 1.78,1065 0.238,1066 4.251,1067 1.434,1068 4.102,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.979,1075 4.021,1076 3.901,1077 3.885,1078 7.424,1079 3.879,1080 3.893,1081 3.945,1082 3.804,1083 3.79,1084 4.85,1085 3.787,1086 3.881,1087 3.923,1088 3.772,1089 3.733,1090 4.754,1091 3.733,1092 3.756,1093 3.817,1094 3.628,1095 3.58,1096 4.615,1097 3.584,1098 3.547,1099 3.615,1100 3.56,1101 3.469,1102 4.392,1103 3.439,1104 3.537,1105 3.566,1106 3.418,1107 3.369,1108 4.311,1109 3.37,1110 3.267,1111 3.329,1112 3.184,1113 3.049,1114 4.183,1115 3.066,1116 0.096,1117 0.085,1118 0.159,1119 0.093,1120 0.073,1121 4.589,1122 0.093,1123 4.083,1124 0.041,1125 7.627,1126 0.289,1127 4.485,1128 0.072,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.073,1138 1.441,1139 2.078,1140 1.932,1141 1.899,1142 2.05,1143 2.014,1144 1.339,1145 2.028,1146 1.856,1147 1.8,1148 2.033,1149 1.995,1150 1.223,1151 2.015,1152 1.748,1153 1.703,1154 1.949,1155 1.934,1156 1.211,1157 1.943,1158 1.702,1159 1.651,1160 1.86,1161 1.9,1162 1.191,1163 1.889,1164 1.577,1165 1.507,1166 1.856,1167 1.751,1168 1.188,1169 1.793,1170 1.521,1171 1.497,1172 1.725,1173 1.705,1174 0.968,1175 1.713,1176 1.452,1177 1.404,1178 1.606,1179 1.568,1180 0.825,1181 1.589,1182 4.575,1183 5.9,1184 3.045,1185 7.409,1186 5.352,1187 9,1188 7.424,1189 10.633,1191 2.065,1197 14.298,1198 6.676,1199 5.55,1201 0.721,1202 5.114,1203 -0.861,1206 53.48,1207 129.977,1208 296.737,1209 417.507,1210 480.076,1211 489.585,1212 497.585,1213 90.932,1214 8.265,1215 73.91,1216 102.15,1217 34,1218 12.969,1219 4.248,1220 3.459,1221 63.613,1222 228,1223 272,1224 0.127,1225 326.092,1226 572.32,1227 787.425,1228 49134,1230 29.65,1231 0.69,1232 0.612,1233 30.003,1234 26.301,1235 20.954,1236 0.437,1237 0.354,1238 16.064,1239 19.899,1240 15.617,1241 12.839,1242 21.363,1243 16.974,1244 19.025,1245 0.284,1246 0.209,1247 19.668,1248 13.996,1249 15.894,1250 0.183,1251 0.123,1252 16.731,1253 10.701,1254 13.286,1255 0.118,1256 0.072,1257 14.187,1258 8.116,1259 10.645,1260 0.077,1261 0.041,1262 11.416,1263 5.629,1264 0.202,1265 133.977,1266 0.174,1267 38.304,1268 0.341,1269 230,1270 544.023,1271 271.534,1272 545.55,1273 745.87,1274 514,1275 269,1276 521.103,1277 310.352,1278 546.519,1279 803.38,1280 515,1281 7.6}
{0 CHEMBL1083860,1 1.482,2 17.457,3 5.497,4 30.22,5 184.631,6 6.861,7 0.314,8 4.614,9 4.74,10 4.139,11 4.171,12 5.56,13 4.112,14 5.23,15 5.418,16 4.528,17 4.619,18 6.125,19 4.523,20 5.562,21 5.797,22 4.597,23 4.778,24 6.435,25 4.647,26 5.647,27 5.902,28 4.54,29 4.759,30 6.565,31 4.621,32 5.607,33 5.852,34 4.549,35 4.749,36 6.624,37 4.612,38 5.619,39 5.862,40 4.578,41 4.814,42 6.471,43 4.663,44 5.713,45 5.981,46 4.525,47 4.831,48 6.532,49 4.676,50 5.669,51 5.929,52 4.535,53 4.82,54 6.524,55 4.676,56 0.067,57 1.355,58 22.419,59 9.615,60 9.865,61 12.952,62 0.447,63 2.323,64 44.252,65 16.69,66 39.132,67 22.944,68 0.685,69 2.996,70 65.146,71 22.277,72 63.434,73 31.213,74 0.72,75 3.058,76 70.636,77 23.476,78 91.66,79 32.681,80 1.113,81 2.942,82 69.99,83 23.363,84 151.66,85 31.637,86 0.577,87 3.098,88 70.367,89 24.649,90 77.993,91 33.948,92 0.745,93 3.277,94 75.963,95 26.087,96 88.223,97 36.632,98 0.779,99 3.169,100 70.143,101 24.499,102 91.111,103 34.655,104 17,105 71,106 0.219,107 0.496,108 0.702,109 0.823,110 0.84,111 0.84,112 3.853,113 1.057,114 -4.62,115 -4.54,116 -4.27,119 39.4,120 1,121 9,122 1,125 7,126 1,127 1,132 9,133 3,141 2,144 3,155 19,157 1,158 5,160 2,162 4,163 23,165 1,166 10,168 1,169 1,170 8,173 14,176 7,181 5,183 10,185 4,186 8,189 2,191 6,193 16,196 9,200 7,203 18,205 1,206 10,211 6,214 17,217 1,218 11,221 1,223 5,224 23,227 9,231 3,234 23,238 5716,239 31.368,240 31.368,241 31.368,242 31.368,243 31.368,244 29.142,245 35.461,246 18.627,247 31.958,248 25.176,249 25.176,250 25.176,251 25.176,252 25.176,253 21.683,254 42.535,255 8.863,256 26.093,257 5.073,258 3.193,259 1.795,260 0.976,261 0.859,262 0.859,263 4.562,267 1,268 1769,269 5,271 286.236,272 747.959,274 249.934,277 2.603,278 48.349,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 98,289 803,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.82,301 6.391,302 3.994,303 3.048,304 3.689,305 1.94,306 9.799,307 2.914,308 4.113,309 3.538,310 6.351,311 3.954,312 2.974,313 3.455,314 1.058,315 9.667,316 2.881,317 3.937,318 2.957,319 5.817,320 3.655,321 2.669,322 3.307,323 0.86,324 7.88,325 2.634,326 3.886,327 2.887,328 5.606,329 3.503,330 2.514,331 3.272,332 0.8,333 7.733,334 2.475,335 3.537,336 2.837,337 5.412,338 3.443,339 2.511,340 2.815,341 0.555,342 7.095,343 2.336,344 3.485,345 2.701,346 5.15,347 3.232,348 2.252,349 2.549,350 0.248,351 6.296,352 2.199,353 3.4,354 2.589,355 5.125,356 3.076,357 2.11,358 2.462,360 6.111,361 2.069,362 3.132,363 2.363,364 4.957,365 3.05,366 2.076,367 2.289,369 5.787,370 1.976,371 3.03,372 2.263,373 4.709,374 2.691,375 1.674,376 2.135,378 4.326,379 1.692,380 2.965,381 2.053,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.443,389 2.808,390 1.878,391 4.176,392 2.454,393 1.511,394 1.845,396 3.381,397 1.405,398 2.643,399 1.646,400 3.904,401 2.398,402 1.429,403 1.622,405 3.331,406 1.356,407 2.586,408 1.522,409 3.618,410 2.268,411 1.301,412 1.559,414 3.056,415 1.244,416 2.5,417 1.5,418 3.605,419 2.066,420 1.096,421 1.5,423 2.544,424 1.051,425 22.267,426 0.484,427 1.048,428 0.023,429 47.75,430 1.038,431 18.5,432 0.402,433 29.25,434 0.636,435 59.324,436 1.29,437 51.533,438 0.548,439 39.488,440 0.858,441 8.481,442 0.184,443 13.901,444 0.302,445 0.067,446 0.022,447 0.26,450 0.715,451 1.33,452 0.844,453 1.102,454 0.525,455 1.05,456 0.858,457 1.131,458 0.939,459 1,460 0.547,461 1.023,462 0.962,463 1.099,464 1.025,465 1.068,466 0.864,467 1.058,468 1.307,469 1.002,470 0.992,471 0.941,472 1.542,473 0.957,474 1.281,475 0.896,476 1.077,477 0.925,478 1.606,479 0.938,480 0.957,481 1.141,482 1.067,483 1.128,484 0.996,485 1.074,486 1.001,487 0.994,488 0.991,489 0.97,490 0.932,491 0.958,492 1.072,493 0.908,494 0.917,495 0.867,496 1.055,497 0.938,498 9.5,499 0.253,500 5.111,501 3.104,502 2.628,503 1.212,504 1.127,505 0.789,506 0.546,507 0.442,508 43165,509 95737,510 2.125,511 51.1,512 7,513 24,516 2,517 1,518 14,520 1.835,521 2.022,522 4.024,523 0.062,527 139.303,528 1.482,529 3.361,530 4.759,531 5.578,532 5.695,533 5.695,534 3.485,535 5.116,536 5.493,537 4.248,538 4397,539 9.756,540 88015.7,544 616.131,545 1.352,546 5.466,547 0.186,548 0.004,549 0.072,550 0.044,551 0.039,552 0.018,553 0.016,554 0.011,555 0.008,556 0.006,557 0.405,558 0.17,559 0.63,560 0.426,561 273.722,562 -0.006,563 -0.096,564 0.074,565 0.006,566 0.002,567 0.027,568 0.045,569 0.017,570 0.029,571 0.037,572 0.047,573 -0.004,574 0.011,575 -0.039,576 -0.027,577 -0.072,578 -0.005,579 -0.07,580 -0.107,581 -0.012,582 -0.006,583 0.003,584 -0.102,585 0.002,586 0.046,587 0.101,588 -0.022,589 0.062,590 0.031,591 0.026,592 -0.038,593 -0.122,594 -0.033,595 -0.095,596 -0.019,597 -0.07,598 -0.036,599 -0.018,600 -0.012,601 -0.005,602 -0.008,603 0.021,604 -0.066,605 0.081,606 -0.005,607 0.06,608 -0.054,609 0.032,610 2.132,611 7.07,612 0.696,613 68.176,614 0.992,615 1.126,616 3.387,617 11.475,618 0.651,619 3.951,620 4.277,621 4.543,622 4.779,623 4.963,624 4.99,625 5.094,626 5.22,627 5.252,628 5.328,629 10.09,630 0.603,631 644.96,632 3.951,633 5.501,634 6.351,635 7.226,636 8.092,637 8.971,638 9.844,639 10.726,640 11.603,641 12.488,642 4.3,645 1,648 3,653 2,654 9,658 1,659 3,661 16,662 1,670 94,672 19,673 2,674 51,676 99,677 37,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 6,692 2,694 10,696 17,697 20,698 2,699 3,703 3,707 3,713 48,714 8,715 2,716 9,717 1,720 4,721 0.833,722 4,732 2,733 4,735 1,742 1,743 1,749 1,752 1,753 5,755 1,757 1,761 46,766 16,767 2,768 1,770 2,771 2,772 1,774 1,778 4.3,781 3,782 1,785 22.75,786 16.65,787 10.069,788 6.231,789 2.072,790 1.248,791 0.969,792 11.218,793 10.423,794 4.143,795 4.652,796 5.142,797 5.624,798 6.068,799 6.272,800 6.553,801 6.908,802 6.845,803 6.923,804 0.917,805 71,806 17.317,807 7.556,808 7.6,809 34.044,810 29.338,811 2.1,812 96.583,815 541.471,816 193.075,817 42.27,819 86.435,821 31.278,822 161.798,823 627.905,824 42.27,825 8.825,826 81.67,827 85.286,828 100.549,829 12.068,830 2.104,831 572.748,833 541.471,834 204.068,835 86.435,836 31.278,838 376.675,839 240.23,840 11,841 93.619,842 110.448,844 31.278,845 541.471,846 128.705,847 193.075,850 541.471,851 98.964,852 100.36,853 36.022,854 86.435,855 541.471,856 128.705,857 193.075,859 0.581,860 0.34,861 0.181,862 0.096,863 33,864 14,865 0.111,866 11,867 1,868 1.063,869 5.53,870 478.451,871 0.063,872 32,873 238.084,874 1,878 33.272,879 15.509,880 8.457,881 2.146,882 128.705,883 18.497,887 1.488,888 3.011,890 36.022,891 863.251,892 62,896 40.56,900 0.077,902 93.232,903 105.885,904 0.226,905 0.513,906 0.726,907 0.851,908 0.869,909 0.869,910 5.407,911 2.11,912 6.34,913 6.296,914 4.963,915 5.34,916 2.942,917 7.163,918 4.899,919 6.575,920 2.076,921 7.909,922 6.111,923 4.575,924 5.112,925 2.262,926 8.298,927 4.491,928 7.872,929 1.674,930 9.592,931 5.787,932 6.594,933 7.413,934 3.765,935 11.371,936 6.472,937 9.204,938 1.53,939 11.35,940 4.326,941 7.083,942 8.051,943 3.8,944 13.458,945 6.944,946 10.574,947 1.511,948 13.163,949 4.266,950 8.562,951 9.848,952 4.887,953 16.143,954 8.391,955 11.971,956 1.429,957 15.017,958 3.381,959 9.447,960 10.893,961 5.238,962 18.586,963 9.26,964 13.388,965 1.301,966 16.904,967 3.331,968 10.735,969 12.498,970 6.127,971 21.203,972 10.522,973 3.502,974 1.096,975 18.818,976 3.056,977 11.802,978 13.751,979 6.629,980 23.767,981 11.573,982 3.048,983 13.894,984 20.753,985 2.544,986 13.029,987 15.277,988 7.415,989 26.382,990 12.778,991 2.974,992 9.799,993 22.706,994 4.454,995 14.18,996 16.64,997 7.994,998 28.987,999 13.914,1000 2.669,1001 9.667,1002 24.673,1003 3.689,1004 15.395,1005 18.136,1006 8.726,1007 31.608,1008 15.11,1009 2.514,1010 7.88,1011 26.652,1012 3.455,1013 16.586,1014 19.558,1015 9.345,1016 34.229,1017 16.286,1018 2.511,1019 7.733,1020 28.64,1021 3.307,1022 17.804,1023 21.045,1024 10.048,1025 36.855,1026 17.486,1027 2.252,1028 7.095,1029 30.637,1030 3.272,1031 19.017,1032 22.499,1033 10.688,1034 39.482,1035 18.684,1036 39765,1037 59427,1038 34.671,1039 61.239,1040 76.658,1041 78.609,1042 78.275,1043 76.01,1044 75.972,1045 90.966,1046 14.836,1047 216.929,1048 73.512,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 19.199,1059 1.503,1060 1.541,1061 1.535,1062 1.49,1063 1.49,1064 1.784,1065 0.291,1066 4.254,1067 1.441,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.434,1073 4.067,1074 3.979,1075 4.019,1076 3.901,1077 3.888,1078 7.426,1079 3.882,1080 3.907,1081 3.957,1082 3.813,1083 3.792,1084 7.424,1085 3.788,1086 3.889,1087 3.928,1088 3.804,1089 3.756,1090 4.849,1091 3.76,1092 3.751,1093 3.813,1094 3.628,1095 3.558,1096 4.753,1097 3.562,1098 3.645,1099 3.706,1100 3.562,1101 3.488,1102 4.615,1103 3.487,1104 3.537,1105 3.566,1106 3.504,1107 3.468,1108 4.357,1109 3.439,1110 3.401,1111 3.464,1112 3.278,1113 3.203,1114 4.304,1115 3.207,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.589,1122 0.087,1123 4.082,1124 0.038,1125 7.627,1126 0.272,1127 4.485,1128 0.067,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.086,1137 2.068,1138 1.443,1139 2.075,1140 1.934,1141 1.901,1142 2.051,1143 2.025,1144 1.348,1145 2.035,1146 1.871,1147 1.819,1148 2.033,1149 1.995,1150 1.211,1151 2.015,1152 1.742,1153 1.702,1154 1.925,1155 1.935,1156 1.201,1157 1.934,1158 1.688,1159 1.634,1160 1.886,1161 1.909,1162 1.188,1163 1.9,1164 1.624,1165 1.572,1166 1.86,1167 1.795,1168 1.185,1169 1.816,1170 1.577,1171 1.507,1172 1.83,1173 1.751,1174 1.115,1175 1.793,1176 1.481,1177 1.471,1178 1.612,1179 1.603,1180 0.866,1181 1.61,1182 4.635,1183 5.958,1184 3.045,1185 7.469,1186 5.352,1187 9.062,1188 7.424,1189 10.697,1191 2.056,1197 13.064,1198 6.617,1199 5.416,1201 0.089,1202 4.444,1203 -0.882,1206 56.721,1207 139.303,1208 315.958,1209 447.363,1210 524.357,1211 535.376,1212 535.376,1213 112.108,1214 8.351,1215 90.98,1216 119.22,1217 34,1218 13.022,1219 4.322,1220 3.585,1221 70.65,1222 268,1223 316,1224 0.118,1225 346.346,1226 613.07,1227 836.844,1228 57441,1230 31.934,1231 0.694,1232 0.607,1233 32.288,1234 27.917,1235 22.382,1236 0.439,1237 0.352,1238 17.045,1239 21.264,1240 16.602,1241 13.639,1242 22.79,1243 17.966,1244 20.132,1245 0.284,1246 0.205,1247 20.774,1248 14.535,1249 17.122,1250 0.184,1251 0.12,1252 17.96,1253 11.187,1254 14.003,1255 0.119,1256 0.071,1257 14.904,1258 8.427,1259 10.989,1260 0.077,1261 0.04,1262 11.76,1263 5.747,1264 0.19,1265 143.082,1266 0.17,1267 40.702,1268 0.311,1269 244,1270 611.759,1271 288.081,1272 606.937,1273 823.37,1274 570,1275 286,1276 573.443,1277 329.705,1278 596.344,1279 876.92,1280 563,1281 7.8}
{0 CHEMBL1083861,1 1.447,2 17.4,3 6.126,4 37.522,5 185.712,6 6.763,7 0.32,8 4.601,9 4.73,10 4.117,11 4.164,12 5.528,13 4.1,14 5.212,15 5.403,16 4.496,17 4.607,18 6.086,19 4.507,20 5.532,21 5.768,22 4.542,23 4.768,24 6.362,25 4.623,26 5.627,27 5.899,28 4.475,29 4.745,30 6.456,31 4.586,32 5.567,33 5.828,34 4.5,35 4.71,36 6.517,37 4.568,38 5.532,39 5.766,40 4.553,41 4.763,42 6.42,43 4.621,44 5.637,45 5.898,46 4.499,47 4.786,48 6.477,49 4.637,50 5.602,51 5.856,52 4.514,53 4.784,54 6.468,55 4.643,56 0.084,57 1.338,58 22.516,59 9.508,60 10.338,61 12.949,62 0.417,63 2.296,64 43.846,65 16.346,66 36.923,67 22.646,68 0.616,69 2.956,70 63.159,71 22.202,72 55.71,73 31.111,74 0.591,75 3.043,76 68.793,77 23.8,78 68.24,79 33.529,80 0.895,81 2.877,82 67.136,83 22.408,84 118.484,85 30.883,86 0.524,87 2.911,88 64.795,89 22.704,90 69.37,91 31.157,92 0.657,93 3.093,94 70.101,95 24.512,96 78.404,97 34.181,98 0.712,99 3.034,100 65.318,101 23.196,102 78.764,103 32.716,104 10,105 69,106 0.214,107 0.51,108 0.726,109 0.82,110 0.841,111 0.841,112 3.832,113 1.058,114 -4.96,115 -4.86,116 -4.56,119 39.8,120 1,121 7,122 1,125 8,126 1,127 1,129 2,132 9,133 3,141 2,144 2,155 19,158 4,160 2,162 4,163 23,165 1,166 8,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 2,186 9,189 2,191 6,193 13,196 10,200 7,203 17,205 1,206 8,211 4,214 16,217 1,218 10,221 2,223 4,224 23,227 8,231 3,234 20,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 28.488,245 32.85,246 18.444,247 31.42,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 21.173,254 36.568,255 8.836,256 25.689,257 5.092,258 3.088,259 1.624,260 0.992,261 0.847,262 0.847,263 4.543,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 38.586,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 95,289 783,290 4.589,291 4.084,292 7.627,293 4.485,294 3.502,295 4.454,296 1.958,297 13.894,298 3.436,299 4.49,300 3.539,301 6.351,302 3.994,303 3.048,304 3.69,305 1.059,306 9.799,307 2.881,308 3.945,309 3.032,310 5.817,311 3.674,312 2.728,313 3.458,314 0.916,315 7.881,316 2.634,317 3.886,318 2.976,319 5.619,320 3.648,321 2.665,322 3.307,323 0.86,324 7.79,325 2.582,326 3.732,327 2.937,328 5.603,329 3.503,330 2.512,331 2.818,332 0.8,333 7.73,334 2.475,335 3.561,336 2.728,337 5.331,338 3.425,339 2.472,340 2.754,341 0.572,342 6.949,343 2.345,344 3.479,345 2.701,346 5.143,347 3.232,348 2.252,349 2.652,350 0.172,351 6.291,352 2.2,353 3.428,354 2.484,355 4.958,356 3.076,357 2.082,358 2.451,359 0.122,360 5.864,361 2.069,362 3.108,363 2.391,364 4.953,365 2.995,366 2.07,367 2.29,369 5.787,370 1.906,371 3.03,372 2.362,373 4.709,374 2.688,375 1.672,376 2.122,378 4.325,379 1.689,380 2.979,381 1.933,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.433,389 2.876,390 1.646,391 4.176,392 2.435,393 1.446,394 1.936,396 3.381,397 1.405,398 2.643,399 1.574,400 3.618,401 2.306,402 1.415,403 1.622,405 3.072,406 1.263,407 2.5,408 1.5,409 3.612,410 2.264,411 1.301,412 1.5,414 3.034,415 1.223,416 2.467,417 1.45,418 3.592,419 2.061,420 1.087,421 1.435,423 2.53,424 1.048,425 21.933,426 0.487,427 0.976,428 0.022,429 46.5,430 1.033,431 18,432 0.4,433 28.5,434 0.633,435 56.662,436 1.259,437 50.067,438 0.538,439 38.058,440 0.846,441 8.436,442 0.187,443 13.518,444 0.3,445 0.053,446 0.023,447 0.242,450 0.767,451 1.318,452 0.861,453 1.09,454 0.565,455 1.048,456 1.011,457 1.116,458 0.971,459 0.982,460 0.587,461 1.015,462 0.978,463 1.116,464 1.061,465 1.1,466 0.852,467 1.099,468 1.111,469 1.004,470 0.929,471 0.937,472 1.281,473 0.94,474 1.277,475 0.86,476 1.011,477 0.862,478 1.485,479 0.854,480 1.118,481 1.165,482 1.109,483 1.146,484 1.315,485 1.077,486 1.134,487 1.016,488 1.012,489 0.986,490 1.152,491 0.96,492 1.171,493 0.919,494 0.932,495 0.883,496 1.229,497 0.949,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 84872,510 2.141,511 51.6,512 7,513 28,516 2,518 11,520 1.83,521 2.053,522 4.013,523 0.049,527 134.559,528 1.447,529 3.451,530 4.915,531 5.547,532 5.692,533 5.692,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 608.142,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,562 0.003,563 -0.096,564 0.078,565 0.006,567 0.027,568 -0.001,569 0.031,570 0.015,571 0.044,572 0.049,573 -0.002,574 0.007,575 -0.056,576 -0.058,577 -0.099,578 0.003,579 -0.107,580 -0.039,581 -0.025,582 0.044,583 0.011,584 -0.024,585 0.026,586 0.045,587 0.141,588 0.048,589 0.116,590 0.115,591 0.104,592 -0.047,593 -0.122,594 -0.042,595 -0.104,596 -0.026,597 -0.077,598 -0.032,599 -0.028,600 -0.016,601 -0.012,602 0.002,603 0.017,604 -0.046,605 0.086,606 -0.01,607 0.048,608 -0.04,609 0.019,610 2.132,611 7.036,612 0.711,613 67.404,614 0.988,615 1.126,616 3.73,617 13.911,618 0.654,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.602,631 628.96,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 4.3,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 93,672 19,673 2,674 50,676 98,677 37,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 6,692 2,694 8,696 18,697 19,698 2,699 3,703 2,705 2,707 2,713 48,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,746 2,749 2,752 1,753 5,755 1,757 1,761 45,766 15,767 2,768 1,770 2,771 2,772 1,774 1,778 3.2,781 2,782 1,785 21.917,786 16.4,787 9.847,788 6.044,789 2.395,790 1.288,791 0.974,792 11.039,793 10.71,794 4.127,795 4.632,796 5.119,797 5.621,798 6.082,799 6.294,800 6.588,801 6.963,802 6.935,803 7.019,804 0.917,805 67,806 16.888,807 7.294,808 7.509,809 33.49,810 28.76,811 2.009,812 90.417,815 541.471,816 204.36,817 42.27,819 61.29,821 31.278,822 173.082,823 602.76,824 42.27,825 8.825,826 75.582,827 104.239,828 70.699,829 15.193,830 2.104,831 572.748,833 541.471,834 215.352,835 61.29,836 31.278,838 411.989,839 179.772,840 11,841 90.656,842 105.744,843 18.952,844 31.278,845 541.471,846 103.56,847 204.36,850 541.471,851 91.296,852 119.313,853 36.022,854 61.29,855 541.471,856 103.56,857 204.36,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.112,866 11,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 229.133,874 1,878 32.373,879 15.345,880 8.622,881 2.161,882 103.56,883 18.519,887 1.495,888 3.01,890 36.022,891 849.391,892 61,896 27.55,898 4.388,900 -0.227,902 91.905,903 104.676,904 0.221,905 0.528,906 0.752,907 0.848,908 0.87,909 0.87,910 5.384,911 2.082,912 6.301,913 6.291,914 4.934,915 5.321,916 2.662,917 7.107,918 4.864,919 6.548,920 2.07,921 7.856,922 5.864,923 4.511,924 5.037,925 1.738,926 8.22,927 4.415,928 7.838,929 1.672,930 9.524,931 5.787,932 6.55,933 7.386,934 3.257,935 11.287,936 6.416,937 9.161,938 1.53,939 11.269,940 4.325,941 7.004,942 7.982,943 3.149,944 13.385,945 6.85,946 10.523,947 1.446,948 13.073,949 4.266,950 8.498,951 9.814,952 4.283,953 16.074,954 8.311,955 11.912,956 1.415,957 14.921,958 3.381,959 9.363,960 10.841,961 4.57,962 18.536,963 9.159,964 13.323,965 1.301,966 16.807,967 3.072,968 10.659,969 12.466,970 5.496,971 21.16,972 10.428,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.715,979 5.969,980 23.737,981 11.474,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.253,988 6.781,989 26.359,990 12.686,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.618,997 7.346,998 28.971,999 13.824,1000 2.665,1001 7.881,1002 24.595,1003 3.69,1004 15.325,1005 18.12,1006 8.096,1007 31.596,1008 15.027,1009 2.512,1010 7.79,1011 26.582,1012 3.458,1013 16.522,1014 19.545,1015 8.708,1016 34.221,1017 16.21,1018 2.472,1019 7.73,1020 28.578,1021 3.307,1022 17.745,1023 21.035,1024 9.424,1025 36.849,1026 17.418,1027 2.252,1028 6.949,1029 30.582,1030 2.818,1031 18.964,1032 22.491,1033 10.063,1034 39.477,1035 18.622,1036 37805,1037 54559,1038 34.265,1039 60.785,1040 74.815,1041 75.949,1042 75.871,1043 74.069,1044 74.055,1045 89.073,1046 12.919,1047 209.146,1048 71.406,1049 5.589,1050 6.084,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.432,1056 21.313,1057 5.436,1058 16.243,1059 1.496,1060 1.519,1061 1.517,1062 1.481,1063 1.481,1064 1.781,1065 0.258,1066 4.183,1067 1.428,1068 4.103,1069 4.116,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.976,1075 4.016,1076 3.9,1077 3.889,1078 7.424,1079 3.882,1080 3.897,1081 3.954,1082 3.804,1083 3.791,1084 4.85,1085 3.787,1086 3.888,1087 3.928,1088 3.783,1089 3.739,1090 4.756,1091 3.74,1092 3.768,1093 3.826,1094 3.643,1095 3.615,1096 4.616,1097 3.613,1098 3.628,1099 3.686,1100 3.562,1101 3.481,1102 4.473,1103 3.48,1104 3.537,1105 3.566,1106 3.507,1107 3.468,1108 4.322,1109 3.439,1110 3.358,1111 3.427,1112 3.237,1113 3.149,1114 4.273,1115 3.156,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.084,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.958,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.073,1137 2.065,1138 1.439,1139 2.07,1140 1.932,1141 1.901,1142 2.057,1143 2.023,1144 1.295,1145 2.036,1146 1.86,1147 1.803,1148 2.033,1149 1.995,1150 1.251,1151 2.015,1152 1.76,1153 1.714,1154 1.96,1155 1.941,1156 1.211,1157 1.952,1158 1.716,1159 1.67,1160 1.868,1161 1.908,1162 1.193,1163 1.897,1164 1.6,1165 1.553,1166 1.86,1167 1.761,1168 1.188,1169 1.793,1170 1.577,1171 1.507,1172 1.792,1173 1.751,1174 0.978,1175 1.775,1176 1.477,1177 1.465,1178 1.607,1179 1.588,1180 0.825,1181 1.599,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.062,1197 14.506,1198 6.565,1199 5.535,1201 0.617,1202 5.118,1203 -0.882,1206 56.007,1207 134.559,1208 320.914,1209 457.109,1210 515.877,1211 529.387,1212 529.387,1213 96.101,1214 8.315,1215 73.91,1216 102.15,1217 34,1218 12.965,1219 4.322,1220 3.585,1221 68.312,1222 259,1223 320,1224 0.118,1225 342.35,1226 604.28,1227 827.093,1228 55250,1230 31.064,1231 0.69,1232 0.61,1233 31.418,1234 27.456,1235 21.954,1236 0.439,1237 0.353,1238 16.731,1239 20.895,1240 16.266,1241 13.394,1242 22.363,1243 17.641,1244 19.721,1245 0.286,1246 0.208,1247 20.363,1248 14.334,1249 16.452,1250 0.185,1251 0.123,1252 17.289,1253 10.91,1254 13.606,1255 0.119,1256 0.071,1257 14.507,1258 8.137,1259 10.838,1260 0.079,1261 0.04,1262 11.608,1263 5.571,1264 0.19,1265 139.977,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 562.023,1271 279.534,1272 564.51,1273 771.85,1274 532,1275 277,1276 539.103,1277 318.157,1278 565.463,1279 829.92,1280 533,1281 8.2}
{0 CHEMBL1083863,1 1.395,2 17.4,3 7.552,4 57.028,5 185.472,6 6.562,7 0.32,8 4.624,9 4.754,10 4.113,11 4.199,12 5.517,13 4.125,14 5.249,15 5.44,16 4.497,17 4.655,18 6.082,19 4.541,20 5.598,21 5.844,22 4.546,23 4.817,24 6.379,25 4.658,26 5.693,27 5.973,28 4.481,29 4.794,30 6.472,31 4.622,32 5.636,33 5.902,34 4.506,35 4.772,36 6.531,37 4.614,38 5.627,39 5.872,40 4.56,41 4.837,42 6.455,43 4.677,44 5.732,45 6.003,46 4.502,47 4.87,48 6.498,49 4.699,50 5.7,51 5.964,52 4.516,53 4.867,54 6.508,55 4.704,56 0.096,57 1.35,58 23.782,59 10.219,60 11.052,61 13.923,62 0.391,63 2.345,64 45.965,65 18.069,66 35.332,67 24.876,68 0.594,69 3.098,70 67.312,71 24.218,72 55.558,73 34.065,74 0.618,75 3.217,76 72.882,77 25.459,78 65.601,79 36.048,80 0.872,81 3.038,82 71.016,83 24.485,84 114.358,85 33.818,86 0.564,87 3.131,88 70.777,89 25.456,90 71.223,91 35.055,92 0.614,93 3.334,94 75.934,95 27.783,96 72.734,97 38.666,98 0.644,99 3.248,100 71.436,101 26.67,102 79.885,103 37.347,104 10,105 69,106 0.205,107 0.471,108 0.681,109 0.817,110 0.842,111 0.842,112 3.832,113 1.095,114 -5.97,115 -5.82,116 -5.42,119 39.6,120 1,121 12,122 2,125 5,126 1,127 1,132 9,133 3,141 2,144 2,155 23,158 5,160 2,162 4,163 28,166 8,168 1,169 1,170 8,173 17,176 8,181 6,183 13,185 2,186 7,189 1,191 7,193 20,196 8,200 9,203 25,206 9,211 5,214 26,218 9,221 1,223 5,224 34,227 7,231 5,234 31,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 28.695,245 29.107,246 18.444,247 31.301,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 21.484,254 30.44,255 8.836,256 25.502,257 5.19,258 3.383,259 1.958,260 1.034,261 0.862,262 0.862,263 4.543,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 37.804,280 0.5,281 0.33,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.65,288 94.5,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 2.957,310 5.817,311 3.692,312 2.728,313 3.455,314 0.86,315 7.881,316 2.646,317 3.886,318 2.939,319 5.619,320 3.65,321 2.665,322 3.307,323 0.8,324 7.79,325 2.615,326 3.726,327 2.879,328 5.603,329 3.503,330 2.512,331 2.815,332 0.248,333 7.73,334 2.475,335 3.496,336 2.701,337 5.331,338 3.464,339 2.472,340 2.727,342 6.949,343 2.453,344 3.475,345 2.581,346 5.143,347 3.232,348 2.252,349 2.508,351 6.291,352 2.203,353 3.397,354 2.363,355 4.958,356 3.076,357 2.082,358 2.445,360 5.864,361 2.069,362 3.083,363 2.344,364 4.953,365 3.017,366 2.07,367 2.289,369 5.787,370 1.948,371 3.03,372 2.235,373 4.709,374 2.689,375 1.672,376 2.085,378 4.325,379 1.691,380 2.963,381 1.915,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.435,389 2.803,390 1.646,391 4.176,392 2.436,393 1.446,394 1.838,396 3.381,397 1.405,398 2.643,399 1.52,400 3.618,401 2.307,402 1.415,403 1.622,405 3.072,406 1.266,407 2.5,408 1.5,409 3.612,410 2.265,411 1.301,412 1.5,414 3.034,415 1.225,416 2.425,417 1.418,418 3.592,419 2.068,420 1.087,421 1.425,423 2.53,424 1.056,425 22.033,426 0.49,427 0.976,428 0.022,429 44.75,430 0.994,431 17,432 0.378,433 27.75,434 0.617,435 60.997,436 1.355,437 50.567,438 0.527,439 33.723,440 0.749,441 7.372,442 0.164,443 14.582,444 0.324,445 0.053,446 0.023,447 0.245,450 0.746,451 1.256,452 0.89,453 1.089,454 0.554,455 1.065,456 0.895,457 1.15,458 0.974,459 1.042,460 0.554,461 1.069,462 0.93,463 1.138,464 1.032,465 1.095,466 0.807,467 1.089,468 1.12,469 0.984,470 0.923,471 0.915,472 1.239,473 0.925,474 1.282,475 0.892,476 1.011,477 0.884,478 1.497,479 0.881,480 1.1,481 1.122,482 1.094,483 1.119,484 1.294,485 1.071,486 1.075,487 0.982,488 0.99,489 0.977,490 1.083,491 0.961,492 1.15,493 0.917,494 0.911,495 0.892,496 1.279,497 0.952,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 80951,510 2.141,511 53.1,512 12,513 20,516 2,518 17,520 1.83,521 2.053,522 4.013,523 0.027,527 133.932,528 1.395,529 3.202,530 4.627,531 5.551,532 5.723,533 5.723,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 632.156,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.5,560 0.383,561 266.276,562 0.005,563 -0.031,564 0.076,565 0.033,566 0.011,567 0.043,568 0.044,569 -0.015,570 0.017,571 0.011,572 0.068,573 -0.026,574 0.023,575 -0.089,576 -0.034,577 -0.095,578 0.02,579 -0.092,580 -0.033,581 0.001,582 0.045,583 0.022,584 -0.021,585 0.032,586 0.043,587 0.105,588 0.037,589 0.092,590 0.104,591 0.08,592 -0.04,593 -0.091,594 -0.041,595 -0.087,596 -0.018,597 -0.069,598 -0.044,599 -0.006,600 -0.012,601 -0.005,602 -0.001,603 0.02,604 -0.069,605 0.063,607 0.046,608 -0.05,609 0.025,610 2.088,611 7.08,612 0.711,613 67.404,614 0.985,615 1.125,616 4.738,617 22.448,618 0.649,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.594,631 629.99,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 3.1,645 1,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 96,672 18,673 2,674 50,676 101,677 38,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 8,692 3,694 13,696 16,697 22,698 3,699 2,703 2,707 2,713 51,714 6,715 2,716 7,717 1,720 3,721 0.833,722 3,732 2,733 4,735 1,742 1,749 1,752 1,753 5,755 1,757 1,761 45,766 17,767 2,768 1,770 3,771 1,772 1,774 1,778 3.1,781 2,782 1,785 21.917,786 16.867,787 9.847,788 6.522,789 2.065,790 1.248,791 0.968,792 11.282,793 10.38,794 4.111,795 4.613,796 5.095,797 5.595,798 6.05,799 6.25,800 6.535,801 6.904,802 6.841,803 6.915,804 0.917,805 67,806 16.926,807 7.335,808 7.472,809 33.867,810 29.5,811 1.972,812 88.75,815 576.784,816 191.763,817 39.146,819 61.29,821 31.278,822 160.485,823 638.074,824 39.146,825 8.825,826 81.938,827 85.286,828 70.699,829 12.068,830 2.104,831 608.062,833 576.784,834 199.631,835 61.29,836 31.278,838 376.675,839 250.399,840 11,841 93.887,842 105.744,844 31.278,845 576.784,846 100.436,847 191.763,850 576.784,851 97.652,852 97.236,853 36.022,854 61.29,855 576.784,856 100.436,857 191.763,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.119,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 229.133,874 1,878 32.66,879 15.545,880 8.756,881 2.187,882 100.436,883 18.744,887 1.51,888 3.104,890 36.022,891 868.983,892 60,896 27.614,900 -0.138,902 94.57,903 108.008,904 0.212,905 0.486,906 0.703,907 0.843,908 0.869,909 0.869,910 5.371,911 2.082,912 6.301,913 6.291,914 4.934,915 5.301,916 2.507,917 7.107,918 4.877,919 6.529,920 2.07,921 7.856,922 5.864,923 4.511,924 5.037,925 1.668,926 8.22,927 4.435,928 7.819,929 1.672,930 9.524,931 5.787,932 6.55,933 7.363,934 3.207,935 11.287,936 6.44,937 9.142,938 1.53,939 11.269,940 4.325,941 7.004,942 7.979,943 3.128,944 13.385,945 6.874,946 10.506,947 1.446,948 13.073,949 4.266,950 8.498,951 9.798,952 4.267,953 16.074,954 8.338,955 11.896,956 1.415,957 14.921,958 3.381,959 9.363,960 10.837,961 4.561,962 18.536,963 9.181,964 13.308,965 1.301,966 16.807,967 3.072,968 10.659,969 12.457,970 5.487,971 21.16,972 10.453,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.712,979 5.961,980 23.737,981 11.493,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.248,988 6.773,989 26.359,990 12.704,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.616,997 7.337,998 28.971,999 13.838,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.118,1006 8.087,1007 31.596,1008 15.04,1009 2.512,1010 7.79,1011 26.582,1012 3.455,1013 16.522,1014 19.544,1015 8.698,1016 34.221,1017 16.219,1018 2.472,1019 7.73,1020 28.578,1021 3.307,1022 17.745,1023 21.034,1024 9.414,1025 36.849,1026 17.426,1027 2.252,1028 6.949,1029 30.582,1030 2.815,1031 18.964,1032 22.49,1033 10.051,1034 39.477,1035 18.629,1036 37805,1037 53332,1038 34.265,1039 62.302,1040 74.428,1041 76.059,1042 75.871,1043 74.057,1044 74.055,1045 88.015,1046 9.845,1047 209.146,1048 71.881,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 16.243,1059 1.489,1060 1.521,1061 1.517,1062 1.481,1063 1.481,1064 1.76,1065 0.197,1066 4.183,1067 1.438,1068 4.104,1069 4.118,1070 4.338,1071 4.118,1072 7.433,1073 4.068,1074 3.983,1075 4.023,1076 3.9,1077 3.894,1078 7.424,1079 3.886,1080 3.908,1081 3.961,1082 3.804,1083 3.797,1084 4.85,1085 3.792,1086 3.889,1087 3.928,1088 3.795,1089 3.774,1090 4.753,1091 3.771,1092 3.789,1093 3.839,1094 3.65,1095 3.659,1096 4.615,1097 3.649,1098 3.638,1099 3.703,1100 3.562,1101 3.493,1102 4.36,1103 3.485,1104 3.537,1105 3.566,1106 3.499,1107 3.468,1108 4.313,1109 3.439,1110 3.39,1111 3.461,1112 3.249,1113 3.187,1114 4.189,1115 3.189,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.116,1137 2.076,1138 1.512,1139 2.093,1140 1.938,1141 1.904,1142 2.064,1143 2.028,1144 1.408,1145 2.041,1146 1.896,1147 1.844,1148 2.033,1149 1.995,1150 1.317,1151 2.015,1152 1.791,1153 1.743,1154 2.009,1155 1.953,1156 1.211,1157 1.974,1158 1.729,1159 1.692,1160 1.889,1161 1.91,1162 1.199,1163 1.902,1164 1.616,1165 1.565,1166 1.86,1167 1.791,1168 1.188,1169 1.809,1170 1.577,1171 1.507,1172 1.824,1173 1.751,1174 1.1,1175 1.793,1176 1.48,1177 1.467,1178 1.615,1179 1.603,1180 0.883,1181 1.612,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.07,1197 17.932,1198 6.703,1199 5.551,1201 1.629,1202 2.681,1203 -0.838,1206 57.039,1207 133.932,1208 307.412,1209 444.235,1210 532.872,1211 549.402,1212 549.402,1213 99.971,1214 8.315,1215 70.67,1216 98.91,1217 34,1218 12.965,1219 4.248,1220 3.459,1221 68.312,1222 259,1223 320,1224 0.118,1225 348.075,1226 613.22,1227 841.063,1228 55250,1230 31.064,1231 0.69,1232 0.619,1233 31.418,1234 27.846,1235 21.954,1236 0.439,1237 0.365,1238 17.372,1239 21,1240 16.894,1241 13.936,1242 22.363,1243 18.25,1244 19.721,1245 0.286,1246 0.218,1247 20.363,1248 15.07,1249 16.452,1250 0.185,1251 0.131,1252 17.289,1253 11.63,1254 13.606,1255 0.119,1256 0.077,1257 14.507,1258 8.825,1259 10.838,1260 0.079,1261 0.045,1262 11.608,1263 6.202,1264 0.19,1265 139.364,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 532.378,1271 277.452,1272 537.211,1273 735.81,1274 506,1275 277,1276 514.99,1277 315.604,1278 541.273,1279 794.24,1280 511,1281 7.9}
{0 CHEMBL1083864,1 1.442,2 17.4,3 6.12,4 37.451,5 182.636,6 6.723,7 0.32,8 4.612,9 4.736,10 4.121,11 4.171,12 5.529,13 4.107,14 5.234,15 5.418,16 4.501,17 4.62,18 6.096,19 4.519,20 5.565,21 5.799,22 4.557,23 4.775,24 6.387,25 4.631,26 5.666,27 5.938,28 4.49,29 4.735,30 6.485,31 4.583,32 5.573,33 5.822,34 4.519,35 4.701,36 6.545,37 4.567,38 5.573,39 5.805,40 4.572,41 4.774,42 6.438,43 4.632,44 5.696,45 5.958,46 4.511,47 4.795,48 6.51,49 4.648,50 5.623,51 5.867,52 4.523,53 4.79,54 6.51,55 4.654,56 0.079,57 1.323,58 22.97,59 9.923,60 9.695,61 13.285,62 0.434,63 2.275,64 45.112,65 17.344,66 38.673,67 23.478,68 0.661,69 2.97,70 65.447,71 23.011,72 57.616,73 32.032,74 0.723,75 3.049,76 72.22,77 24.075,78 72.151,79 33.649,80 1.091,81 2.815,82 67.997,83 22.354,84 130.837,85 30.415,86 0.594,87 2.93,88 67.591,89 23.833,90 69.044,91 32.35,92 0.754,93 3.114,94 74.955,95 25.883,96 81.878,97 35.413,98 0.828,99 2.979,100 67.123,101 23.983,102 93.843,103 33.07,104 10,105 69,106 0.213,107 0.489,108 0.707,109 0.833,110 0.842,111 0.842,112 3.832,113 1.07,114 -5.03,115 -4.93,116 -4.62,119 39.4,120 1,121 9,122 2,125 7,126 1,127 1,132 9,133 3,141 2,144 2,155 20,158 6,160 2,162 3,163 23,166 11,168 2,169 1,170 7,173 12,176 7,181 5,183 7,185 4,186 7,189 1,191 6,193 13,196 10,198 1,200 8,203 15,206 12,211 4,214 16,217 1,218 10,221 1,223 5,224 26,227 7,231 5,234 26,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 28.695,245 31.651,246 18.444,247 31.419,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 21.484,254 31.971,255 8.836,256 25.682,257 5.113,258 3.247,259 1.769,260 0.918,261 0.859,262 0.859,263 4.543,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 42.315,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 95.5,289 783,290 4.589,291 4.083,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 2.963,310 5.817,311 3.688,312 2.728,313 3.455,314 0.86,315 7.881,316 2.628,317 3.886,318 2.948,319 5.619,320 3.646,321 2.665,322 3.307,323 0.86,324 7.79,325 2.612,326 3.726,327 2.901,328 5.603,329 3.503,330 2.512,331 2.815,332 0.8,333 7.73,334 2.475,335 3.496,336 2.702,337 5.331,338 3.457,339 2.472,340 2.727,341 0.248,342 6.949,343 2.435,344 3.475,345 2.625,346 5.143,347 3.222,348 2.252,349 2.508,351 6.291,352 2.179,353 3.397,354 2.487,355 4.958,356 3.075,357 2.082,358 2.445,360 5.864,361 2.068,362 3.083,363 2.363,364 4.953,365 3.01,366 2.07,367 2.289,369 5.787,370 1.932,371 3.03,372 2.262,373 4.709,374 2.682,375 1.672,376 2.085,378 4.325,379 1.68,380 2.963,381 1.94,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.418,389 2.803,390 1.712,391 4.176,392 2.425,393 1.446,394 1.838,396 3.381,397 1.405,398 2.643,399 1.646,400 3.618,401 2.3,402 1.415,403 1.622,405 3.072,406 1.242,407 2.5,408 1.5,409 3.612,410 2.257,411 1.301,412 1.5,414 3.034,415 1.223,416 2.425,417 1.481,418 3.592,419 2.005,420 1.087,421 1.425,423 2.53,424 1,425 21.867,426 0.486,427 0.976,428 0.022,429 45.25,430 1.006,431 17,432 0.378,433 28.25,434 0.628,435 58.862,436 1.308,437 50.733,438 0.54,439 35.857,440 0.797,441 7.859,442 0.175,443 14.095,444 0.313,445 0.053,446 0.023,447 0.247,450 0.766,451 1.282,452 0.864,453 1.106,454 0.571,455 1.06,456 1.043,457 1.12,458 0.977,459 1.008,460 0.627,461 1.038,462 0.953,463 1.155,464 1.047,465 1.12,466 0.839,467 1.11,468 1.268,469 0.964,470 0.93,471 0.889,472 1.302,473 0.895,474 1.338,475 0.882,476 1.05,477 0.883,478 1.55,479 0.881,480 1.067,481 1.162,482 1.089,483 1.164,484 1.193,485 1.089,486 1.32,487 0.944,488 1,489 0.934,490 1.18,491 0.91,492 1.296,493 0.914,494 0.959,495 0.885,496 1.369,497 0.956,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 84651,510 2.141,511 52.1,512 7,513 24,516 2,518 16,520 1.83,521 2.053,522 4.013,523 0.049,527 135.506,528 1.442,529 3.307,530 4.785,531 5.637,532 5.695,533 5.695,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 616.131,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,563 -0.055,564 0.077,565 0.014,566 0.004,567 0.034,568 -0.016,569 0.011,570 0.008,571 0.04,572 0.037,573 -0.01,574 0.028,575 -0.1,576 -0.047,577 -0.118,578 0.012,579 -0.116,580 -0.068,581 0.008,582 0.054,583 0.041,584 -0.042,585 0.054,586 0.079,587 0.124,588 0.023,589 0.096,590 0.13,591 0.073,592 0.003,593 -0.128,594 -0.028,595 -0.123,596 0.009,597 -0.086,598 -0.087,599 0.015,600 0.003,601 0.029,602 -0.023,603 0.056,604 -0.066,605 0.076,606 -0.028,607 0.053,608 -0.046,609 0.014,610 2.143,611 7.025,612 0.711,613 67.404,614 0.99,615 1.126,616 3.804,617 14.468,618 0.649,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.598,631 631.96,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 3.2,645 1,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 94,672 18,673 2,674 50,676 99,677 37,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 8,692 3,694 10,696 16,697 21,698 3,699 2,703 2,707 2,713 49,714 7,715 2,716 8,717 1,720 3,721 0.833,722 4,732 2,733 4,735 1,742 1,749 1,752 2,753 5,755 1,757 1,761 45,766 16,767 2,768 2,770 3,771 1,772 1,774 1,778 4.3,781 2,782 2,785 21.917,786 16.533,787 9.847,788 6.189,789 2.065,790 1.248,791 0.964,792 11.25,793 10.38,794 4.111,795 4.613,796 5.095,797 5.595,798 6.05,799 6.25,800 6.535,801 6.904,802 6.841,803 6.915,804 0.917,805 67,806 16.925,807 7.343,808 7.517,809 33.585,810 29.04,811 2.017,812 90.75,815 553.242,816 193.344,817 39.146,819 72.29,821 31.278,822 162.066,823 625.531,824 39.146,825 8.825,826 83.519,827 85.286,828 81.699,829 12.068,830 2.104,831 584.519,833 553.242,834 201.212,835 72.29,836 31.278,838 364.904,839 238.627,840 22,841 95.468,842 105.744,844 31.278,845 553.242,846 111.435,847 193.344,850 553.242,851 99.233,852 97.236,853 36.022,854 72.29,855 553.242,856 111.435,857 193.344,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.121,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 231.133,874 1,878 32.622,879 15.519,880 8.738,881 2.154,882 111.435,883 18.461,887 1.49,888 2.987,890 36.022,891 858.021,892 60,896 27.534,900 -0.249,902 93.014,903 105.802,904 0.22,905 0.505,906 0.73,907 0.86,908 0.869,909 0.869,910 5.371,911 2.082,912 6.301,913 6.291,914 4.934,915 5.301,916 2.621,917 7.107,918 4.866,919 6.529,920 2.07,921 7.856,922 5.864,923 4.511,924 5.037,925 1.668,926 8.22,927 4.435,928 7.819,929 1.672,930 9.524,931 5.787,932 6.55,933 7.363,934 3.25,935 11.287,936 6.425,937 9.142,938 1.53,939 11.269,940 4.325,941 7.004,942 7.979,943 3.128,944 13.385,945 6.87,946 10.506,947 1.446,948 13.073,949 4.266,950 8.498,951 9.798,952 4.278,953 16.074,954 8.324,955 11.896,956 1.415,957 14.921,958 3.381,959 9.363,960 10.837,961 4.561,962 18.536,963 9.175,964 13.308,965 1.301,966 16.807,967 3.072,968 10.659,969 12.457,970 5.49,971 21.16,972 10.441,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.712,979 5.961,980 23.737,981 11.487,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.248,988 6.773,989 26.359,990 12.696,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.616,997 7.337,998 28.971,999 13.833,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.118,1006 8.087,1007 31.596,1008 15.034,1009 2.512,1010 7.79,1011 26.582,1012 3.455,1013 16.522,1014 19.544,1015 8.698,1016 34.221,1017 16.215,1018 2.472,1019 7.73,1020 28.578,1021 3.307,1022 17.745,1023 21.034,1024 9.414,1025 36.849,1026 17.423,1027 2.252,1028 6.949,1029 30.582,1030 2.815,1031 18.964,1032 22.49,1033 10.051,1034 39.477,1035 18.626,1036 37805,1037 54496,1038 34.265,1039 60.995,1040 74.428,1041 76.266,1042 75.871,1043 74.022,1044 74.055,1045 88.015,1046 11.565,1047 209.146,1048 71.373,1049 5.589,1050 6.083,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 16.243,1059 1.489,1060 1.525,1061 1.517,1062 1.48,1063 1.481,1064 1.76,1065 0.231,1066 4.183,1067 1.427,1068 4.103,1069 4.116,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.974,1075 4.013,1076 3.895,1077 3.883,1078 7.424,1079 3.877,1080 3.907,1081 3.96,1082 3.804,1083 3.793,1084 4.85,1085 3.789,1086 3.889,1087 3.928,1088 3.792,1089 3.767,1090 4.758,1091 3.764,1092 3.776,1093 3.825,1094 3.64,1095 3.634,1096 4.62,1097 3.627,1098 3.604,1099 3.661,1100 3.562,1101 3.469,1102 4.58,1103 3.44,1104 3.537,1105 3.566,1106 3.478,1107 3.427,1108 4.319,1109 3.429,1110 3.345,1111 3.409,1112 3.217,1113 3.101,1114 4.276,1115 3.115,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.083,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.092,1137 2.068,1138 1.48,1139 2.079,1140 1.928,1141 1.897,1142 2.06,1143 2.024,1144 1.378,1145 2.036,1146 1.886,1147 1.831,1148 2.033,1149 1.995,1150 1.284,1151 2.015,1152 1.77,1153 1.721,1154 1.994,1155 1.945,1156 1.211,1157 1.962,1158 1.727,1159 1.692,1160 1.866,1161 1.91,1162 1.195,1163 1.899,1164 1.577,1165 1.522,1166 1.86,1167 1.751,1168 1.188,1169 1.793,1170 1.554,1171 1.507,1172 1.755,1173 1.75,1174 0.974,1175 1.753,1176 1.464,1177 1.437,1178 1.606,1179 1.582,1180 0.847,1181 1.594,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.06,1197 15.009,1198 6.537,1199 11.882,1201 1.154,1202 2.625,1203 -0.893,1206 56.227,1207 135.506,1208 310.897,1209 449.828,1210 529.867,1211 535.376,1212 535.376,1213 101.884,1214 8.315,1215 79.9,1216 108.14,1217 34,1218 12.965,1219 4.248,1220 3.459,1221 68.312,1222 259,1223 320,1224 0.118,1225 342.479,1226 604.71,1227 827.409,1228 55250,1230 31.064,1231 0.69,1232 0.612,1233 31.418,1234 27.547,1235 21.954,1236 0.439,1237 0.357,1238 16.91,1239 20.867,1240 16.447,1241 13.537,1242 22.363,1243 17.828,1244 19.721,1245 0.286,1246 0.213,1247 20.363,1248 14.676,1249 16.452,1250 0.185,1251 0.125,1252 17.289,1253 11.138,1254 13.606,1255 0.119,1256 0.073,1257 14.507,1258 8.353,1259 10.838,1260 0.079,1261 0.042,1262 11.608,1263 5.802,1264 0.19,1265 140.364,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 576.113,1271 280.331,1272 570.549,1273 775.33,1274 538,1275 277,1276 534.626,1277 318.981,1278 559.925,1279 822.32,1280 527,1281 7.6}
{0 CHEMBL1083865,1 1.43,2 18.261,3 6.508,4 42.359,5 187.313,6 6.66,7 0.314,8 4.64,9 4.766,10 4.14,11 4.198,12 5.55,13 4.132,14 5.264,15 5.45,16 4.516,17 4.646,18 6.118,19 4.542,20 5.596,21 5.834,22 4.568,23 4.804,24 6.405,25 4.656,26 5.692,27 5.965,28 4.506,29 4.771,30 6.497,31 4.613,32 5.625,33 5.881,34 4.537,35 4.73,36 6.574,37 4.592,38 5.603,39 5.838,40 4.576,41 4.784,42 6.468,43 4.642,44 5.695,45 5.955,46 4.511,47 4.807,48 6.502,49 4.655,50 5.646,51 5.894,52 4.51,53 4.805,54 6.514,55 4.662,56 0.086,57 1.362,58 23.861,59 10.273,60 10.199,61 13.812,62 0.442,63 2.34,64 46.653,65 17.936,66 38.865,67 24.388,68 0.687,69 3.052,70 67.489,71 23.77,72 59.913,73 33.221,74 0.682,75 3.143,76 73.512,77 24.938,78 69.343,79 35.07,80 1.064,81 2.93,82 71.292,83 23.389,84 131.738,85 32.028,86 0.74,87 2.977,88 70.008,89 24.108,90 75.358,91 32.78,92 0.683,93 3.109,94 74.298,95 26.413,96 76.714,97 36.095,98 0.839,99 3.036,100 68.705,101 24.323,102 98.443,103 33.824,104 10,105 70,106 0.21,107 0.48,108 0.693,109 0.815,110 0.836,111 0.844,112 3.853,113 1.078,114 -5.21,115 -5.1,116 -4.77,119 39.2,120 1,121 10,122 2,125 7,126 1,127 1,132 9,133 3,141 2,144 2,155 21,158 6,160 2,162 3,163 25,166 10,168 2,169 1,170 7,173 12,176 10,181 5,183 7,185 3,186 7,189 1,191 6,193 13,195 1,196 10,198 1,200 7,203 15,206 11,211 6,214 19,217 1,218 7,223 5,224 26,227 12,229 1,231 4,234 26,238 5904,239 31.523,240 31.523,241 31.523,242 31.523,243 31.523,244 29.402,245 31.651,246 18.944,247 32.144,248 25.231,249 25.231,250 25.231,251 25.231,252 25.231,253 21.984,254 31.971,255 9.083,256 26.199,257 5.17,258 3.332,259 1.885,260 1.052,261 0.91,262 0.853,263 4.564,267 1,268 1854,269 4.899,271 287.334,272 754.883,274 250.757,277 2.654,278 42.215,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 97.5,289 840,290 4.589,291 4.083,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 2.96,310 5.817,311 3.688,312 2.727,313 3.455,314 0.86,315 7.88,316 2.628,317 3.886,318 2.94,319 5.617,320 3.648,321 2.665,322 3.307,323 0.86,324 7.788,325 2.62,326 3.726,327 2.904,328 5.604,329 3.503,330 2.512,331 2.815,332 0.8,333 7.731,334 2.475,335 3.49,336 2.702,337 5.331,338 3.464,339 2.473,340 2.726,341 0.248,342 6.949,343 2.45,344 3.474,345 2.592,346 5.144,347 3.226,348 2.256,349 2.496,351 6.294,352 2.181,353 3.408,354 2.473,355 4.957,356 3.075,357 2.087,358 2.462,360 5.867,361 2.068,362 3.089,363 2.362,364 4.954,365 3.025,366 2.075,367 2.289,369 5.787,370 1.95,371 3.03,372 2.297,373 4.711,374 2.69,375 1.687,376 2.09,378 4.333,379 1.684,380 2.967,381 1.965,382 4.402,383 2.463,384 1.53,385 2.06,387 4.27,388 1.429,389 2.819,390 1.872,391 4.176,392 2.446,393 1.492,394 1.86,396 3.381,397 1.405,398 2.643,399 1.646,400 3.649,401 2.329,402 1.42,403 1.622,405 3.141,406 1.282,407 2.5,408 1.5,409 3.618,410 2.276,411 1.354,412 1.5,414 3.04,415 1.227,416 2.447,417 1.499,418 3.594,419 2.181,420 1.228,421 1.445,423 2.854,424 1.148,425 22.367,426 0.486,427 0.976,428 0.021,429 45.75,430 0.995,431 17,432 0.37,433 28.75,434 0.625,435 60.985,436 1.326,437 52.033,438 0.536,439 35.988,440 0.782,441 7.869,442 0.171,443 14.585,444 0.317,445 0.052,446 0.022,447 0.241,450 0.767,451 1.287,452 0.874,453 1.115,454 0.571,455 1.07,456 1.041,457 1.129,458 0.985,459 1.02,460 0.625,461 1.05,462 0.958,463 1.136,464 1.046,465 1.103,466 0.84,467 1.099,468 1.163,469 0.996,470 0.926,471 0.923,472 1.267,473 0.924,474 1.356,475 0.892,476 1.024,477 0.878,478 1.518,479 0.867,480 1.223,481 1.086,482 1.115,483 1.11,484 1.247,485 1.057,486 1.228,487 0.991,488 0.991,489 0.98,490 1.167,491 0.942,492 1.344,493 0.923,494 0.979,495 0.876,496 1.395,497 0.955,498 9.5,499 0.198,500 4.222,501 2.604,502 2.628,503 0.92,504 1.168,505 0.711,506 0.427,507 0.532,508 44705,509 90674,510 2.138,511 52.6,512 8,513 24,516 2,518 17,520 1.834,521 2.052,522 4.084,523 0.04,527 138.722,528 1.43,529 3.268,530 4.715,531 5.548,532 5.69,533 5.747,534 3.555,535 4.967,536 5.49,537 4.309,538 4460.06,539 9.748,540 90659.3,544 640.192,545 1.254,546 5.473,547 0.186,548 0.003,549 0.06,550 0.038,551 0.041,552 0.014,553 0.017,554 0.01,555 0.006,556 0.008,557 0.385,558 0.17,559 0.63,560 0.377,561 275.06,562 0.002,563 -0.054,564 0.077,565 0.014,566 0.006,567 0.033,568 -0.013,569 0.004,570 0.006,571 0.032,572 0.04,573 -0.015,574 0.022,575 -0.082,576 -0.045,577 -0.099,578 0.011,579 -0.102,580 -0.044,581 -0.018,582 0.05,583 0.014,584 -0.03,585 0.033,586 0.064,587 0.102,588 0.044,589 0.093,590 0.135,591 0.084,592 -0.011,593 -0.055,594 -0.04,595 -0.08,596 -0.005,597 -0.066,598 -0.055,599 -0.033,600 0.008,601 -0.002,602 -0.004,603 0.036,604 -0.098,605 0.068,606 -0.043,607 0.061,608 -0.062,609 0.013,610 2.142,611 7.016,612 0.696,613 71.393,614 0.989,615 1.126,616 3.979,617 15.831,618 0.647,619 3.951,620 4.263,621 4.511,622 4.754,623 4.942,624 4.949,625 5.056,626 5.198,627 5.215,628 5.283,629 10.445,630 0.595,631 645.99,632 3.951,633 5.493,634 6.333,635 7.203,636 8.06,637 8.934,638 9.8,639 10.678,640 11.55,641 12.431,642 3.1,645 1,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 97,672 18,673 2,674 51,676 102,677 38,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 8,692 3,694 11,696 16,697 22,698 3,699 2,703 2,707 2,713 51,714 7,715 2,716 8,717 1,720 3,721 0.833,722 4,732 2,733 4,735 1,742 1,749 1,752 2,753 5,755 1,757 1,761 46,766 17,767 2,768 2,770 3,771 1,772 1,774 1,778 4.1,781 2,782 2,785 22.417,786 17.033,787 10.097,788 6.439,789 2.053,790 1.246,791 0.962,792 11.822,793 10.392,794 4.127,795 4.623,796 5.101,797 5.599,798 6.052,799 6.25,800 6.535,801 6.9,802 6.833,803 6.906,804 1,805 68,806 17.301,807 7.481,808 7.505,809 34.402,810 29.706,811 2.005,812 92.25,815 576.784,816 195.879,817 39.146,819 72.29,821 31.278,822 164.601,823 649.074,824 39.146,825 8.825,826 86.053,827 85.286,828 81.699,829 12.068,830 2.104,831 608.062,833 576.784,834 203.747,835 72.29,836 31.278,838 376.675,839 250.399,840 22,841 98.003,842 105.744,844 31.278,845 576.784,846 111.435,847 195.879,850 576.784,851 101.767,852 97.236,853 36.022,854 72.29,855 576.784,856 111.435,857 195.879,859 0.576,860 0.331,861 0.179,862 0.097,863 32,864 13,865 0.127,866 13,867 1,868 1.063,869 5.628,870 470.756,871 0.063,872 32,873 236.084,874 1,878 33.584,879 16.192,880 9.196,881 2.155,882 111.435,883 18.464,887 1.491,888 2.989,890 36.022,891 884.098,892 61,896 27.525,900 -0.248,902 95.897,903 109.217,904 0.217,905 0.495,906 0.714,907 0.841,908 0.862,909 0.871,910 5.384,911 2.087,912 6.312,913 6.294,914 4.949,915 5.311,916 2.621,917 7.114,918 4.881,919 6.54,920 2.075,921 7.864,922 5.867,923 4.511,924 5.037,925 1.668,926 8.22,927 4.435,928 7.826,929 1.687,930 9.529,931 5.787,932 6.558,933 7.367,934 3.25,935 11.289,936 6.436,937 9.148,938 1.53,939 11.273,940 4.333,941 7.004,942 7.979,943 3.128,944 13.385,945 6.872,946 10.509,947 1.492,948 13.075,949 4.27,950 8.502,951 9.799,952 4.278,953 16.074,954 8.331,955 11.898,956 1.42,957 14.923,958 3.381,959 9.363,960 10.837,961 4.561,962 18.536,963 9.178,964 13.31,965 1.354,966 16.808,967 3.141,968 10.661,969 12.457,970 5.49,971 21.16,972 10.446,973 3.502,974 1.228,975 18.722,976 3.04,977 11.72,978 13.712,979 5.961,980 23.737,981 11.489,982 3.048,983 13.894,984 20.662,985 2.854,986 12.953,987 15.248,988 6.773,989 26.359,990 12.7,991 2.727,992 9.799,993 22.621,994 4.454,995 14.105,996 16.616,997 7.337,998 28.971,999 13.835,1000 2.665,1001 7.88,1002 24.595,1003 3.689,1004 15.326,1005 18.118,1006 8.087,1007 31.596,1008 15.037,1009 2.512,1010 7.788,1011 26.582,1012 3.455,1013 16.522,1014 19.544,1015 8.698,1016 34.221,1017 16.217,1018 2.473,1019 7.731,1020 28.578,1021 3.307,1022 17.745,1023 21.034,1024 9.414,1025 36.849,1026 17.424,1027 2.256,1028 6.949,1029 30.582,1030 2.815,1031 18.964,1032 22.49,1033 10.051,1034 39.477,1035 18.627,1036 41070,1037 58813,1038 34.959,1039 62.756,1040 75.725,1041 77.562,1042 77.167,1043 75.305,1044 75.351,1045 89.313,1046 11.565,1047 211.754,1048 72.661,1049 5.589,1050 6.083,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 16.541,1059 1.485,1060 1.521,1061 1.513,1062 1.477,1063 1.477,1064 1.751,1065 0.227,1066 4.152,1067 1.425,1068 4.103,1069 4.116,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.975,1075 4.015,1076 3.895,1077 3.884,1078 7.424,1079 3.877,1080 3.912,1081 3.966,1082 3.804,1083 3.796,1084 4.85,1085 3.791,1086 3.889,1087 3.928,1088 3.797,1089 3.775,1090 4.758,1091 3.771,1092 3.783,1093 3.833,1094 3.646,1095 3.646,1096 4.618,1097 3.637,1098 3.621,1099 3.675,1100 3.562,1101 3.469,1102 4.578,1103 3.445,1104 3.537,1105 3.566,1106 3.494,1107 3.438,1108 4.318,1109 3.437,1110 3.429,1111 3.499,1112 3.282,1113 3.219,1114 4.309,1115 3.221,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.589,1122 0.087,1123 4.083,1124 0.038,1125 7.627,1126 0.272,1127 4.485,1128 0.067,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.101,1137 2.07,1138 1.495,1139 2.084,1140 1.928,1141 1.897,1142 2.06,1143 2.026,1144 1.39,1145 2.037,1146 1.895,1147 1.84,1148 2.033,1149 1.995,1150 1.286,1151 2.015,1152 1.78,1153 1.731,1154 2.005,1155 1.952,1156 1.211,1157 1.971,1158 1.728,1159 1.693,1160 1.867,1161 1.911,1162 1.195,1163 1.9,1164 1.577,1165 1.53,1166 1.86,1167 1.772,1168 1.188,1169 1.793,1170 1.565,1171 1.507,1172 1.773,1173 1.751,1174 1.011,1175 1.774,1176 1.471,1177 1.449,1178 1.667,1179 1.633,1180 0.947,1181 1.645,1182 4.635,1183 5.948,1184 3.045,1185 7.445,1186 5.352,1187 9.024,1188 7.424,1189 10.648,1191 2.06,1197 16.384,1198 6.532,1199 11.816,1201 1.322,1202 2.651,1203 -0.892,1206 57.754,1207 138.722,1208 316.972,1209 457.319,1210 538.152,1211 551.927,1212 557.437,1213 105.035,1214 8.339,1215 79.9,1216 108.14,1217 34,1218 12.968,1219 4.248,1220 3.459,1221 70.729,1222 276,1223 344,1224 0.114,1225 352.071,1226 622.01,1227 850.814,1228 58456,1230 31.771,1231 0.691,1232 0.614,1233 32.125,1234 28.254,1235 22.454,1236 0.44,1237 0.359,1238 17.41,1239 21.36,1240 16.941,1241 13.943,1242 22.863,1243 18.328,1244 20.074,1245 0.287,1246 0.214,1247 20.716,1248 15.002,1249 16.702,1250 0.186,1251 0.127,1252 17.539,1253 11.455,1254 13.776,1255 0.12,1256 0.075,1257 14.677,1258 8.574,1259 10.996,1260 0.079,1261 0.043,1262 11.767,1263 5.944,1264 0.185,1265 143.364,1266 0.169,1267 40.946,1268 0.297,1269 242,1270 580.113,1271 284.331,1272 574.535,1273 781.01,1274 542,1275 281,1276 538.626,1277 322.649,1278 563.569,1279 827.24,1280 531,1281 6.9}
{0 CHEMBL1083866,1 1.448,2 16.568,3 5.722,4 32.741,5 180.085,6 6.706,7 0.327,8 4.591,9 4.721,10 4.101,11 4.149,12 5.502,13 4.083,14 5.211,15 5.404,16 4.487,17 4.596,18 6.067,19 4.495,20 5.542,21 5.785,22 4.541,23 4.76,24 6.352,25 4.618,26 5.632,27 5.899,28 4.48,29 4.763,30 6.444,31 4.602,32 5.625,33 5.891,34 4.493,35 4.747,36 6.527,37 4.588,38 5.611,39 5.869,40 4.527,41 4.756,42 6.452,43 4.605,44 5.61,45 5.869,46 4.47,47 4.767,48 6.435,49 4.616,50 5.612,51 5.868,52 4.502,53 4.802,54 6.449,55 4.651,56 0.085,57 1.331,58 22.566,59 9.454,60 10.076,61 12.935,62 0.414,63 2.292,64 44.13,65 16.31,66 35.106,67 22.739,68 0.661,69 2.966,70 64.149,71 21.805,72 56.007,73 30.944,74 0.647,75 3.055,76 68.967,77 23.856,78 63.361,79 33.74,80 0.816,81 2.991,82 70.516,83 24.14,84 111.675,85 33.385,86 0.685,87 3.014,88 70.841,89 23.389,90 78.627,91 32.566,92 0.706,93 3.007,94 68.289,95 23.708,96 72.763,97 33.246,98 0.588,99 3.053,100 65.501,101 24.042,102 71.061,103 33.97,104 10,105 68,106 0.215,107 0.485,108 0.694,109 0.816,110 0.837,111 0.837,112 3.81,113 1.072,114 -4.86,115 -4.77,116 -4.47,119 39.1,120 1,121 9,125 7,126 2,127 1,132 9,133 3,141 2,144 2,155 17,158 5,160 2,162 4,163 23,165 1,166 5,168 1,169 1,170 8,173 14,175 1,176 7,181 5,183 8,185 1,186 10,189 2,191 6,193 13,196 8,200 7,203 17,205 2,206 8,211 4,214 17,218 10,221 2,223 4,224 22,227 9,231 3,234 18,238 5002,239 30.161,240 30.161,241 30.161,242 30.161,243 30.161,244 28.04,245 34.697,246 17.985,247 30.768,248 24.219,249 24.219,250 24.219,251 24.219,252 24.219,253 20.972,254 45.1,255 8.576,256 25.187,257 5.076,258 3.255,259 1.848,260 1.025,261 0.878,262 0.878,263 4.521,267 1,268 1614,269 4.69,271 268.827,272 705.17,274 234.727,277 2.529,278 38.664,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 93,289 729,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 3.147,310 6.143,311 3.807,312 2.87,313 3.455,314 0.86,315 9.054,316 2.689,317 3.886,318 2.957,319 5.817,320 3.654,321 2.667,322 3.307,323 0.8,324 7.88,325 2.633,326 3.869,327 2.881,328 5.605,329 3.503,330 2.512,331 2.87,332 0.8,333 7.733,334 2.475,335 3.492,336 2.748,337 5.327,338 3.372,339 2.439,340 2.815,341 0.248,342 6.919,343 2.281,344 3.46,345 2.7,346 5.142,347 3.22,348 2.243,349 2.506,351 6.288,352 2.178,353 3.378,354 2.363,355 4.957,356 3.075,357 2.077,358 2.411,360 5.787,361 2.068,362 3.03,363 2.345,364 4.71,365 2.747,366 1.827,367 2.289,369 4.525,370 1.709,371 2.967,372 2.257,373 4.446,374 2.678,375 1.67,376 2.06,378 4.321,379 1.643,380 2.844,381 1.646,382 4.402,383 2.463,384 1.53,385 1.87,387 4.263,388 1.43,389 2.785,390 1.572,391 4.176,392 2.434,393 1.438,394 1.798,396 3.381,397 1.405,398 2.643,399 1.512,400 3.618,401 2.277,402 1.312,403 1.622,405 3.061,406 1.256,407 2.5,408 1.5,409 3.607,410 2.137,411 1.208,412 1.5,414 2.766,415 1.111,416 2.268,417 1.418,418 3.544,419 2,420 1.034,421 1.254,423 2.472,424 1,425 21.433,426 0.487,427 0.959,428 0.022,429 45,430 1.023,431 17,432 0.386,433 28,434 0.636,435 56.886,436 1.293,437 49.367,438 0.537,439 35.443,440 0.806,441 7.928,442 0.18,443 13.543,444 0.308,445 0.054,446 0.023,447 0.247,450 0.767,451 1.337,452 0.867,453 1.104,454 0.556,455 1.061,456 0.993,457 1.149,458 0.965,459 0.998,460 0.571,461 1.025,462 1.026,463 1.067,464 1.049,465 1.048,466 0.84,467 1.054,468 1.09,469 1.008,470 0.963,471 0.962,472 1.274,473 0.98,474 1.151,475 0.953,476 0.999,477 0.947,478 1.443,479 0.928,480 1.294,481 1.033,482 1.065,483 1.011,484 1.327,485 0.968,486 1.111,487 0.993,488 1.035,489 0.983,490 1.165,491 0.97,492 0.991,493 0.98,494 0.911,495 0.946,496 1.224,497 0.997,498 9,499 0.22,500 4.667,501 2.604,502 2.308,503 1.212,504 1.086,505 0.694,506 0.517,507 0.442,508 38171,509 78136,510 2.145,511 52.2,512 7,513 25,516 2,518 10,519 4,520 1.825,521 2.054,522 3.952,523 0.058,527 133.217,528 1.448,529 3.269,530 4.676,531 5.499,532 5.646,533 5.646,534 3.467,535 4.897,536 5.428,537 4.175,538 3949.26,539 9.631,540 76000.3,544 600.168,545 1.285,546 5.408,547 0.184,548 0.004,549 0.069,550 0.039,551 0.037,552 0.019,553 0.017,554 0.011,555 0.008,556 0.007,557 0.392,558 0.17,559 0.63,560 0.388,561 257.863,562 0.003,563 -0.098,564 0.08,565 0.007,566 0.005,567 0.028,568 0.009,569 0.004,570 0.023,571 0.035,572 0.056,573 -0.005,574 -0.009,575 0.001,576 -0.042,577 -0.057,578 0.005,579 -0.069,580 -0.027,581 -0.017,582 0.005,583 -0.01,584 -0.035,585 -0.01,586 0.048,587 0.025,588 0.034,589 0.035,590 0.102,591 0.042,592 -0.081,593 -0.025,594 -0.001,595 -0.01,596 -0.031,597 0.005,598 -0.02,599 0.007,600 -0.037,601 -0.005,602 -0.003,603 0.008,604 -0.032,605 0.019,606 -0.008,608 -0.038,609 -0.01,610 2.099,611 7.055,612 0.727,613 62.411,614 0.988,615 1.127,616 3.627,617 13.153,618 0.65,619 3.912,620 4.234,621 4.5,622 4.745,623 4.934,624 4.963,625 5.069,626 5.198,627 5.231,628 5.308,629 9.629,630 0.598,631 616.95,632 3.912,633 5.46,634 6.308,635 7.183,636 8.048,637 8.927,638 9.799,639 10.682,640 11.559,641 12.443,642 4.3,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 92,672 18,673 2,674 49,676 97,677 36,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 7,692 1,694 11,696 16,697 20,698 1,699 2,703 2,707 2,713 48,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 2,733 4,735 1,742 1,749 2,752 1,753 5,755 1,757 1,761 44,766 16,767 2,768 1,770 2,771 2,772 1,774 1,778 3.3,781 2,782 1,785 21.417,786 16.233,787 9.625,788 6.122,789 2.081,790 1.251,791 0.973,792 10.688,793 10.358,794 4.094,795 4.603,796 5.095,797 5.595,798 6.05,799 6.253,800 6.538,801 6.902,802 6.839,803 6.915,804 1,805 67,806 16.534,807 7.165,808 7.498,809 32.892,810 28.439,811 1.998,812 87.917,815 541.471,816 188.371,817 42.27,819 61.29,821 31.278,822 157.093,823 602.76,824 42.27,825 8.825,826 78.546,827 85.286,828 70.699,829 15.193,830 2.104,831 572.748,833 541.471,834 199.363,835 61.29,836 31.278,838 376.675,839 215.085,840 11,841 93.619,842 105.744,844 31.278,845 541.471,846 103.56,847 188.371,850 541.471,851 94.259,852 100.36,853 36.022,854 61.29,855 541.471,856 103.56,857 188.371,859 0.579,860 0.338,861 0.182,862 0.097,863 32,864 13,865 0.113,866 11,867 1,868 1.063,869 5.404,870 452.254,871 0.063,872 32,873 222.215,874 1,878 31.662,879 14.853,880 8.109,881 2.177,882 103.56,883 18.672,887 1.505,888 3.079,890 36.022,891 833.401,892 59,896 27.573,900 -0.16,902 90.905,903 103.676,904 0.222,905 0.501,906 0.717,907 0.843,908 0.865,909 0.865,910 5.357,911 2.077,912 6.293,913 6.288,914 4.92,915 5.291,916 2.583,917 7.112,918 4.847,919 6.519,920 1.827,921 7.857,922 5.787,923 4.511,924 5.037,925 1.738,926 8.249,927 4.408,928 7.813,929 1.67,930 9.536,931 4.525,932 6.547,933 7.362,934 3.225,935 11.319,936 6.406,937 9.141,938 1.53,939 11.291,940 4.321,941 7.022,942 7.986,943 3.141,944 13.421,945 6.856,946 10.509,947 1.438,948 13.103,949 4.263,950 8.512,951 9.802,952 4.271,953 16.106,954 8.313,955 11.903,956 1.312,957 14.958,958 3.381,959 9.391,960 10.843,961 4.564,962 18.561,963 9.172,964 13.319,965 1.208,966 16.847,967 3.061,968 10.685,969 12.461,970 5.488,971 21.18,972 10.439,973 3.502,974 1.034,975 18.764,976 2.766,977 11.752,978 13.717,979 5.962,980 23.751,981 11.489,982 3.048,983 13.894,984 20.702,985 2.472,986 12.982,987 15.251,988 6.773,989 26.369,990 12.699,991 2.87,992 9.799,993 22.659,994 4.454,995 14.136,996 16.618,997 7.337,998 28.978,999 13.838,1000 2.667,1001 9.054,1002 24.63,1003 3.689,1004 15.354,1005 18.12,1006 8.087,1007 31.601,1008 15.04,1009 2.512,1010 7.88,1011 26.613,1012 3.455,1013 16.548,1014 19.545,1015 8.698,1016 34.224,1017 16.221,1018 2.439,1019 7.733,1020 28.606,1021 3.307,1022 17.769,1023 21.035,1024 9.414,1025 36.851,1026 17.428,1027 2.243,1028 6.919,1029 30.606,1030 2.87,1031 18.986,1032 22.491,1033 10.051,1034 39.479,1035 18.631,1036 34993,1037 50324,1038 33.572,1039 59.785,1040 73.302,1041 74.71,1042 74.754,1043 72.899,1044 72.874,1045 86.835,1046 11.445,1047 207.32,1048 70.19,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.961,1059 1.496,1060 1.525,1061 1.526,1062 1.488,1063 1.487,1064 1.772,1065 0.234,1066 4.231,1067 1.432,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.977,1075 4.019,1076 3.898,1077 3.887,1078 7.424,1079 3.88,1080 3.902,1081 3.96,1082 3.804,1083 3.79,1084 4.85,1085 3.787,1086 3.889,1087 3.928,1088 3.794,1089 3.732,1090 4.753,1091 3.738,1092 3.732,1093 3.792,1094 3.597,1095 3.577,1096 4.62,1097 3.571,1098 3.613,1099 3.678,1100 3.56,1101 3.469,1102 4.371,1103 3.442,1104 3.537,1105 3.566,1106 3.474,1107 3.443,1108 4.318,1109 3.438,1110 3.354,1111 3.425,1112 3.22,1113 3.151,1114 4.188,1115 3.152,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.589,1122 0.091,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.081,1137 2.074,1138 1.426,1139 2.077,1140 1.933,1141 1.901,1142 2.05,1143 2.027,1144 1.364,1145 2.039,1146 1.858,1147 1.798,1148 2.033,1149 1.995,1150 1.226,1151 2.015,1152 1.748,1153 1.706,1154 1.948,1155 1.922,1156 1.211,1157 1.93,1158 1.694,1159 1.644,1160 1.866,1161 1.894,1162 1.195,1163 1.889,1164 1.587,1165 1.533,1166 1.86,1167 1.774,1168 1.188,1169 1.793,1170 1.577,1171 1.507,1172 1.813,1173 1.751,1174 1.089,1175 1.792,1176 1.478,1177 1.462,1178 1.608,1179 1.591,1180 0.84,1181 1.603,1182 4.595,1183 5.916,1184 3.045,1185 7.425,1186 5.352,1187 9.016,1188 7.424,1189 10.651,1191 2.066,1197 15.671,1198 6.669,1199 5.562,1201 0.706,1202 5.245,1203 -0.849,1206 55.007,1207 133.217,1208 300.75,1209 430.154,1210 505.903,1211 519.413,1212 519.413,1213 94.165,1214 8.277,1215 73.91,1216 102.15,1217 34,1218 12.978,1219 4.248,1220 3.459,1221 65.963,1222 245,1223 292,1224 0.121,1225 335.685,1226 589.62,1227 810.831,1228 51681,1230 30.357,1231 0.69,1232 0.614,1233 30.711,1234 27.008,1235 21.471,1236 0.438,1237 0.357,1238 16.6,1239 20.413,1240 16.158,1241 13.277,1242 21.879,1243 17.508,1244 19.273,1245 0.283,1246 0.209,1247 19.915,1248 14.203,1249 16.302,1250 0.183,1251 0.124,1252 17.139,1253 11.042,1254 13.509,1255 0.119,1256 0.074,1257 14.41,1258 8.384,1259 10.708,1260 0.078,1261 0.041,1262 11.479,1263 5.677,1264 0.194,1265 137.04,1266 0.173,1267 39.228,1268 0.321,1269 234,1270 548.023,1271 275.867,1272 549.233,1273 752.87,1274 518,1275 274,1276 528.455,1277 315.324,1278 552.451,1279 812.67,1280 522,1281 8.1}
{0 CHEMBL1083867,1 1.465,2 16.568,3 6.941,4 48.183,5 180.265,6 7.01,7 0.449,8 4.538,9 4.667,10 4.088,11 4.124,12 5.513,13 4.062,14 5.124,15 5.312,16 4.473,17 4.557,18 6.042,19 4.461,20 5.446,21 5.681,22 4.528,23 4.702,24 6.316,25 4.571,26 5.533,27 5.791,28 4.464,29 4.689,30 6.41,31 4.548,32 5.512,33 5.761,34 4.477,35 4.686,36 6.492,37 4.545,38 5.513,39 5.753,40 4.513,41 4.728,42 6.402,43 4.583,44 5.57,45 5.827,46 4.462,47 4.753,48 6.415,49 4.604,50 5.583,51 5.838,52 4.496,53 4.779,54 6.447,55 4.635,56 0.074,57 1.274,58 20.1,59 8.55,60 11.413,61 11.632,62 0.358,63 2.181,64 38.786,65 14.791,66 34.227,67 20.462,68 0.564,69 2.809,70 57.6,71 19.942,72 54.435,73 27.854,74 0.563,75 2.883,76 62.684,77 21.532,78 66.749,79 29.854,80 0.811,81 2.807,82 63.373,83 21.753,84 116.749,85 29.271,86 0.55,87 2.873,88 63.704,89 22.23,90 75.897,91 30.116,92 0.576,93 2.991,94 65.552,95 23.493,96 72.402,97 32.415,98 0.598,99 3.03,100 63.629,101 23.358,102 76.972,103 32.556,104 10,105 68,106 0.218,107 0.513,108 0.705,109 0.841,110 0.856,111 0.856,112 3.81,113 1.032,114 -5.72,115 -5.58,116 -5.21,119 41.4,120 1,121 7,125 5,126 1,127 1,132 12,133 3,135 1,137 1,141 2,144 2,155 19,157 1,158 4,160 2,162 4,163 23,165 1,166 7,168 1,169 1,170 8,173 14,176 8,181 5,183 8,185 2,186 9,189 2,191 6,193 13,196 9,200 7,203 17,205 1,206 10,211 4,214 16,218 11,221 2,223 4,224 22,227 8,231 3,234 20,238 5002,239 30.161,240 30.161,241 30.161,242 30.161,243 30.161,244 27.314,245 30.383,246 17.985,247 30.679,248 24.219,249 24.219,250 24.219,251 24.219,252 24.219,253 19.958,254 38.202,255 8.576,256 25.08,257 4.978,258 2.998,259 1.71,260 0.799,261 0.698,262 0.698,263 4.521,268 1614,269 4.69,271 268.827,272 705.17,274 234.727,277 2.529,278 36.799,280 0.5,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.6,288 92.5,289 729,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 4.081,309 3.139,310 6.143,311 3.794,312 2.87,313 3.55,314 0.8,315 9.054,316 2.654,317 3.937,318 2.957,319 5.817,320 3.654,321 2.667,322 3.455,323 0.8,324 7.88,325 2.631,326 3.886,327 2.881,328 5.605,329 3.503,330 2.512,331 3.307,332 0.248,333 7.733,334 2.475,335 3.53,336 2.734,337 5.327,338 3.368,339 2.439,340 2.815,342 6.919,343 2.276,344 3.484,345 2.7,346 5.142,347 3.219,348 2.243,349 2.589,351 6.288,352 2.176,353 3.399,354 2.363,355 4.957,356 3.075,357 2.077,358 2.476,360 5.787,361 2.068,362 3.113,363 2.261,364 4.71,365 2.783,366 1.827,367 2.289,369 4.525,370 1.747,371 3.03,372 1.947,373 4.446,374 2.685,375 1.67,376 2.253,378 4.321,379 1.682,380 2.965,381 1.646,382 4.402,383 2.463,384 1.53,385 2.06,387 4.263,388 1.435,389 2.808,390 1.523,391 4.176,392 2.436,393 1.438,394 1.848,396 3.381,397 1.405,398 2.643,399 1.5,400 3.618,401 2.284,402 1.312,403 1.622,405 3.061,406 1.266,407 2.516,408 1.418,409 3.607,410 2.181,411 1.208,412 1.519,414 2.766,415 1.168,416 2.5,417 1.314,418 3.544,419 2.007,420 1.034,421 1.5,423 2.472,424 1,425 21.5,426 0.489,427 0.959,428 0.022,429 51.5,430 1.17,431 23.5,432 0.534,433 28,434 0.636,435 51.202,436 1.164,437 47.5,438 0.546,439 41.127,440 0.935,441 9.426,442 0.214,443 12.045,444 0.274,445 0.054,446 0.023,447 0.247,450 0.743,451 1.29,452 0.83,453 1.033,454 0.547,455 0.997,456 0.796,457 1.124,458 0.92,459 0.984,460 0.527,461 1.002,462 1.013,463 1.087,464 1.036,465 1.065,466 0.86,467 1.05,468 1.371,469 1,470 0.987,471 0.946,472 1.411,473 0.956,474 1.444,475 0.91,476 1.079,477 0.946,478 1.617,479 0.939,480 1.29,481 1.095,482 1.112,483 1.102,484 1.368,485 1.046,486 1.116,487 1.011,488 1.033,489 1.016,490 1.144,491 0.991,492 1.173,493 0.927,494 0.92,495 0.913,496 1.248,497 0.972,498 9,499 0.22,500 4.667,501 2.604,502 2.308,503 1.212,504 1.086,505 0.694,506 0.517,507 0.442,508 38171,509 83633,510 2.145,511 49.4,512 7,513 23,515 1,516 2,518 10,520 1.825,521 2.054,522 3.952,523 0.058,527 127.48,528 1.465,529 3.445,530 4.733,531 5.644,532 5.745,533 5.745,534 3.467,535 4.897,536 5.428,537 4.175,538 3949.26,539 9.631,540 76000.3,544 560.536,545 1.285,546 5.408,547 0.184,548 0.004,549 0.069,550 0.039,551 0.037,552 0.019,553 0.017,554 0.011,555 0.008,556 0.007,557 0.392,558 0.17,559 0.5,560 0.388,561 257.863,562 -0.002,563 -0.104,564 0.074,565 0.012,566 0.003,567 0.028,568 0.097,569 0.011,570 0.04,571 0.022,572 0.079,573 -0.011,574 0.032,575 -0.03,576 -0.029,577 -0.079,578 0.007,579 -0.076,580 -0.094,581 -0.011,582 0.002,583 0.003,584 -0.078,585 0.003,586 0.02,587 0.079,588 -0.019,589 0.044,590 0.057,591 0.024,592 -0.076,593 -0.092,594 -0.046,595 -0.078,596 -0.051,597 -0.061,598 -0.027,599 -0.035,600 -0.04,601 -0.035,602 -0.008,603 -0.009,604 -0.058,605 0.045,606 -0.011,607 0.021,608 -0.06,609 0.001,610 2.111,611 7.043,612 0.727,613 62.411,614 0.989,615 1.123,616 4.489,617 20.152,618 0.667,619 3.912,620 4.234,621 4.5,622 4.745,623 4.934,624 4.963,625 5.069,626 5.198,627 5.231,628 5.308,629 9.629,630 0.618,631 609.91,632 3.912,633 5.46,634 6.308,635 7.183,636 8.048,637 8.927,638 9.799,639 10.682,640 11.559,641 12.443,642 5.7,645 1,647 1,648 2,651 1,653 2,654 13,655 1,658 1,659 4,661 22,662 1,667 1,670 87,672 24,673 2,674 49,676 92,677 36,678 19,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 21,697 15,698 1,699 2,703 2,707 2,713 43,714 7,715 2,716 8,717 1,720 5,721 0.833,722 2,727 1,732 2,733 4,735 1,742 1,749 1,753 5,755 1,757 1,761 44,766 12,767 2,770 1,771 2,772 1,774 1,778 2.3,781 2,785 21.417,786 15.517,787 9.625,788 5.639,789 2.585,790 1.312,791 0.988,792 10.056,793 10.862,794 4.143,795 4.684,796 5.203,797 5.721,798 6.191,799 6.342,800 6.63,801 6.974,802 6.926,803 7.013,804 1,805 67,806 16.47,807 7.119,808 7.54,809 32.406,810 27.657,811 2.04,812 89.75,815 482.615,816 213.921,817 59.056,819 50.29,821 31.278,822 182.643,823 532.905,824 59.056,825 8.825,826 64.292,827 113.715,828 88.256,829 24.24,830 4.432,831 502.122,833 482.615,834 241.699,835 50.29,836 31.278,838 364.904,839 168.001,841 85.289,842 139.625,843 16.786,844 31.278,845 482.615,846 109.346,847 213.921,850 482.615,851 82.333,852 137.836,853 36.022,854 67.075,855 482.615,856 109.346,857 213.921,859 0.579,860 0.338,861 0.182,862 0.097,863 32,864 13,865 0.12,866 11,867 1,868 1.063,869 5.404,870 452.254,871 0.063,872 32,873 228.215,874 1,878 30.89,879 14.323,880 7.765,881 2.165,882 109.346,883 26.528,884 4.508,887 1.498,888 4.1,890 36.022,891 805.882,892 62,896 27.552,900 -0.185,902 86.028,903 97.719,904 0.227,905 0.535,906 0.735,907 0.876,908 0.892,909 0.892,910 5.391,911 2.077,912 6.293,913 6.288,914 4.92,915 5.373,916 2.464,917 7.112,918 4.851,919 6.57,920 1.827,921 7.857,922 5.787,923 4.511,924 5.085,925 1.738,926 8.249,927 4.401,928 7.866,929 1.67,930 9.536,931 4.525,932 6.547,933 7.483,934 3.181,935 11.319,936 6.407,937 9.199,938 1.53,939 11.291,940 4.321,941 7.022,942 8.053,943 3.141,944 13.421,945 6.845,946 10.568,947 1.438,948 13.103,949 4.263,950 8.512,951 9.926,952 4.259,953 16.106,954 8.309,955 11.963,956 1.312,957 14.958,958 3.381,959 9.391,960 10.915,961 4.564,962 18.561,963 9.161,964 13.379,965 1.208,966 16.847,967 3.061,968 10.685,969 12.566,970 5.486,971 21.18,972 10.432,973 3.502,974 1.034,975 18.764,976 2.766,977 11.752,978 13.781,979 5.962,980 23.751,981 11.48,982 3.048,983 13.894,984 20.702,985 2.472,986 12.982,987 15.331,988 6.773,989 26.369,990 12.692,991 2.87,992 9.799,993 22.659,994 4.454,995 14.136,996 16.67,997 7.337,998 28.978,999 13.831,1000 2.667,1001 9.054,1002 24.63,1003 3.689,1004 15.354,1005 18.176,1006 8.087,1007 31.601,1008 15.034,1009 2.512,1010 7.88,1011 26.613,1012 3.55,1013 16.548,1014 19.583,1015 8.698,1016 34.224,1017 16.215,1018 2.439,1019 7.733,1020 28.606,1021 3.455,1022 17.769,1023 21.073,1024 9.413,1025 36.851,1026 17.423,1027 2.243,1028 6.919,1029 30.606,1030 3.307,1031 18.986,1032 22.518,1033 10.051,1034 39.479,1035 18.627,1036 34993,1037 52013,1038 33.572,1039 58.052,1040 73.558,1041 74.499,1042 74.754,1043 72.907,1044 72.874,1045 91.008,1046 9.725,1047 207.32,1048 70.445,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.961,1059 1.501,1060 1.52,1061 1.526,1062 1.488,1063 1.487,1064 1.857,1065 0.198,1066 4.231,1067 1.438,1068 4.102,1069 4.116,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.978,1075 4.021,1076 3.905,1077 3.888,1078 7.424,1079 3.881,1080 3.914,1081 3.967,1082 3.842,1083 3.793,1084 4.902,1085 3.793,1086 3.889,1087 3.929,1088 3.804,1089 3.771,1090 4.845,1091 3.777,1092 3.753,1093 3.813,1094 3.641,1095 3.608,1096 4.751,1097 3.606,1098 3.621,1099 3.686,1100 3.561,1101 3.47,1102 4.359,1103 3.465,1104 3.537,1105 3.566,1106 3.487,1107 3.467,1108 4.311,1109 3.439,1110 3.355,1111 3.426,1112 3.223,1113 3.158,1114 4.187,1115 3.159,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.589,1122 0.091,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.066,1138 1.392,1139 2.068,1140 1.933,1141 1.901,1142 2.033,1143 2.025,1144 1.284,1145 2.032,1146 1.868,1147 1.816,1148 2.022,1149 1.995,1150 1.211,1151 2.015,1152 1.756,1153 1.71,1154 1.928,1155 1.919,1156 1.199,1157 1.922,1158 1.708,1159 1.661,1160 1.861,1161 1.888,1162 1.188,1163 1.885,1164 1.6,1165 1.546,1166 1.86,1167 1.772,1168 1.104,1169 1.793,1170 1.577,1171 1.507,1172 1.812,1173 1.751,1174 0.922,1175 1.791,1176 1.478,1177 1.464,1178 1.608,1179 1.591,1180 0.833,1181 1.603,1182 4.595,1183 5.916,1184 3.045,1185 7.425,1186 5.352,1187 9.016,1188 7.424,1189 10.651,1191 2.062,1197 10.872,1198 6.64,1201 0.001,1202 4.871,1203 -0.861,1206 53.733,1207 127.48,1208 299.685,1209 411.768,1210 491.026,1211 499.781,1212 499.781,1213 90.73,1214 8.277,1215 77.57,1216 105.81,1217 34,1218 12.978,1219 4.644,1220 3.807,1221 65.963,1222 245,1223 292,1224 0.121,1225 329.701,1226 573.01,1227 796.229,1228 51681,1230 30.357,1231 0.69,1232 0.601,1233 30.711,1234 26.451,1235 21.471,1236 0.438,1237 0.344,1238 15.966,1239 20.493,1240 15.518,1241 12.817,1242 21.879,1243 16.85,1244 19.273,1245 0.283,1246 0.199,1247 19.915,1248 13.498,1249 16.302,1250 0.183,1251 0.115,1252 17.139,1253 10.273,1254 13.509,1255 0.119,1256 0.068,1257 14.41,1258 7.723,1259 10.708,1260 0.078,1261 0.038,1262 11.479,1263 5.193,1264 0.194,1265 136.494,1266 0.173,1267 39.228,1268 0.321,1269 234,1270 555.933,1271 274.765,1272 567.768,1273 784.3,1274 534,1275 274,1276 562.635,1277 314.498,1278 589.614,1279 863.82,1280 557,1281 7.8}
{0 CHEMBL1083868,1 1.502,2 16.568,3 6.295,4 39.63,5 178.719,6 7.103,7 0.449,8 4.532,9 4.661,10 4.093,11 4.105,12 5.52,13 4.049,14 5.117,15 5.307,16 4.478,17 4.538,18 6.052,19 4.447,20 5.431,21 5.665,22 4.53,23 4.681,24 6.312,25 4.555,26 5.522,27 5.783,28 4.466,29 4.664,30 6.413,31 4.53,32 5.489,33 5.736,34 4.477,35 4.664,36 6.489,37 4.531,38 5.495,39 5.73,40 4.513,41 4.717,42 6.394,43 4.576,44 5.568,45 5.826,46 4.463,47 4.744,48 6.418,49 4.597,50 5.574,51 5.828,52 4.497,53 4.768,54 6.447,55 4.627,56 0.064,57 1.291,58 19.641,59 8.278,60 11.513,61 11.268,62 0.407,63 2.19,64 38.268,65 14.409,66 36.867,67 19.897,68 0.548,69 2.767,70 56.608,71 19.351,72 55.173,73 27.107,74 0.602,75 2.843,76 62.358,77 20.519,78 71.378,79 28.707,80 0.859,81 2.747,82 62.105,83 20.781,84 119.975,85 27.986,86 0.53,87 2.819,88 62.357,89 21.769,90 76.289,91 29.457,92 0.593,93 2.967,94 65.645,95 23.101,96 75.495,97 32.019,98 0.611,99 2.995,100 63.116,101 22.811,102 79.739,103 31.898,104 10,105 68,106 0.224,107 0.525,108 0.713,109 0.834,110 0.843,111 0.843,112 3.81,113 1.023,114 -5.2,115 -5.09,116 -4.76,119 40.7,120 1,121 7,125 5,126 1,127 1,132 10,133 3,135 2,139 1,141 2,144 2,155 17,157 3,158 3,160 2,162 4,163 22,165 1,166 5,168 1,169 1,170 8,173 14,176 8,181 5,183 8,185 3,186 8,189 2,191 6,193 13,196 8,200 7,203 17,205 1,206 11,211 4,214 15,218 12,221 2,223 4,224 20,227 8,231 3,234 19,238 5002,239 30.161,240 30.161,241 30.161,242 30.161,243 30.161,244 27.314,245 30.383,246 17.985,247 30.745,248 24.219,249 24.219,250 24.219,251 24.219,252 24.219,253 19.958,254 38.202,255 8.576,256 25.189,257 4.925,258 2.907,259 1.648,260 0.84,261 0.776,262 0.776,263 4.521,267 1,268 1614,269 4.69,271 268.827,272 705.17,274 234.727,277 2.529,278 38.728,280 0.75,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.64,288 93,289 729,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 4.081,309 3.139,310 6.143,311 3.78,312 2.87,313 3.55,314 0.8,315 9.054,316 2.636,317 3.937,318 2.957,319 5.817,320 3.654,321 2.667,322 3.455,323 0.8,324 7.88,325 2.607,326 3.886,327 2.881,328 5.605,329 3.503,330 2.512,331 3.307,332 0.248,333 7.733,334 2.475,335 3.53,336 2.734,337 5.327,338 3.361,339 2.439,340 2.815,342 6.919,343 2.263,344 3.484,345 2.7,346 5.142,347 3.218,348 2.243,349 2.589,351 6.288,352 2.169,353 3.399,354 2.363,355 4.957,356 3.075,357 2.077,358 2.476,360 5.787,361 2.068,362 3.113,363 2.261,364 4.71,365 2.771,366 1.827,367 2.289,369 4.525,370 1.729,371 3.03,372 1.947,373 4.446,374 2.684,375 1.67,376 2.253,378 4.321,379 1.677,380 2.965,381 1.646,382 4.402,383 2.463,384 1.53,385 2.06,387 4.263,388 1.434,389 2.808,390 1.523,391 4.176,392 2.436,393 1.438,394 1.848,396 3.381,397 1.405,398 2.643,399 1.5,400 3.618,401 2.283,402 1.312,403 1.622,405 3.061,406 1.264,407 2.516,408 1.418,409 3.607,410 2.173,411 1.208,412 1.519,414 2.766,415 1.158,416 2.5,417 1.314,418 3.544,419 2.002,420 1.034,421 1.5,423 2.472,424 1,425 21.4,426 0.486,427 0.959,428 0.022,429 52,430 1.182,431 23.5,432 0.534,433 28.5,434 0.648,435 50.849,436 1.156,437 47.6,438 0.553,439 41.48,440 0.943,441 9.503,442 0.216,443 11.968,444 0.272,445 0.055,446 0.023,447 0.248,450 0.747,451 1.338,452 0.817,453 1.051,454 0.545,455 1.001,456 0.761,457 1.068,458 0.909,459 0.969,460 0.524,461 0.991,462 0.974,463 1.116,464 1.024,465 1.086,466 0.852,467 1.061,468 1.392,469 0.977,470 0.989,471 0.921,472 1.424,473 0.936,474 1.442,475 0.868,476 1.099,477 0.938,478 1.639,479 0.939,480 1.226,481 1.111,482 1.117,483 1.138,484 1.354,485 1.076,486 1.084,487 0.994,488 1.027,489 1.014,490 1.127,491 0.99,492 1.146,493 0.917,494 0.922,495 0.917,496 1.238,497 0.978,498 9,499 0.22,500 4.667,501 2.604,502 2.308,503 1.212,504 1.086,505 0.694,506 0.517,507 0.442,508 38171,509 86695,510 2.145,511 48.8,512 7,513 21,515 2,516 2,518 10,520 1.825,521 2.054,522 3.952,523 0.081,527 129.147,528 1.502,529 3.52,530 4.778,531 5.586,532 5.65,533 5.65,534 3.467,535 4.897,536 5.428,537 4.175,538 3949.26,539 9.631,540 76000.3,544 552.659,545 1.285,546 5.408,547 0.184,548 0.004,549 0.069,550 0.039,551 0.037,552 0.019,553 0.017,554 0.011,555 0.008,556 0.007,557 0.392,558 0.17,559 0.63,560 0.388,561 257.863,562 -0.007,563 -0.139,564 0.074,565 -0.002,566 0.009,567 0.02,568 0.133,569 0.072,570 0.045,571 0.037,572 0.09,573 -0.004,574 0.034,575 -0.068,576 -0.022,577 -0.094,578 0.011,579 -0.082,580 -0.118,581 0.009,582 0.003,583 0.023,584 -0.091,585 0.02,586 0.002,587 0.122,588 -0.036,589 0.055,590 0.039,591 0.023,592 -0.076,593 -0.117,594 -0.058,595 -0.1,596 -0.056,597 -0.081,598 -0.034,599 -0.028,600 -0.037,601 -0.028,602 -0.012,603 -0.002,604 -0.067,605 0.047,606 -0.016,607 0.022,608 -0.066,610 2.117,611 7.037,612 0.727,613 62.411,614 0.991,615 1.126,616 3.968,617 15.743,618 0.666,619 3.912,620 4.234,621 4.5,622 4.745,623 4.934,624 4.963,625 5.069,626 5.198,627 5.231,628 5.308,629 9.629,630 0.619,631 610.9,632 3.912,633 5.46,634 6.308,635 7.183,636 8.048,637 8.927,638 9.799,639 10.682,640 11.559,641 12.443,642 7,645 1,647 1,648 2,651 2,653 2,654 12,655 2,658 1,659 4,661 22,662 1,667 1,670 86,672 24,673 2,674 49,676 91,677 35,678 18,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 20,697 15,698 1,699 2,703 2,707 2,713 42,714 8,715 2,716 9,717 1,720 6,721 0.833,722 2,728 1,732 2,733 4,735 1,742 1,749 1,753 5,755 1,757 1,761 44,766 12,767 2,770 1,771 2,772 1,774 1,778 2.3,781 2,785 21.417,786 15.383,787 9.625,788 5.561,789 2.585,790 1.312,791 0.986,792 10.006,793 10.862,794 4.143,795 4.684,796 5.203,797 5.721,798 6.191,799 6.342,800 6.63,801 6.974,802 6.926,803 7.013,804 1,805 67,806 16.459,807 7.114,808 7.563,809 32.276,810 27.465,811 2.063,812 90.75,815 470.844,816 203.587,817 75.841,819 50.29,821 31.278,822 172.309,823 521.134,824 75.841,825 8.825,826 64.292,827 94.762,828 116.812,829 33.288,830 4.003,831 478.58,833 470.844,834 248.151,835 50.29,836 31.278,838 353.133,839 168.001,841 96.235,842 118.344,843 33.571,844 31.278,845 470.844,846 126.131,847 203.587,850 470.844,851 81.905,852 127.931,853 36.022,854 83.861,855 470.844,856 126.131,857 203.587,859 0.579,860 0.338,861 0.182,862 0.097,863 32,864 13,865 0.121,866 11,867 1,868 1.063,869 5.404,870 452.254,871 0.063,872 32,873 224.215,874 1,878 30.828,879 14.281,880 7.738,881 2.159,882 126.131,883 23.987,884 8.794,887 1.494,888 3.836,890 36.022,891 800.562,892 62,896 27.542,900 -0.196,902 85.247,903 96.802,904 0.234,905 0.548,906 0.744,907 0.869,908 0.879,909 0.879,910 5.391,911 2.077,912 6.293,913 6.288,914 4.92,915 5.373,916 2.464,917 7.112,918 4.844,919 6.57,920 1.827,921 7.857,922 5.787,923 4.511,924 5.085,925 1.738,926 8.249,927 4.395,928 7.866,929 1.67,930 9.536,931 4.525,932 6.547,933 7.483,934 3.181,935 11.319,936 6.395,937 9.199,938 1.53,939 11.291,940 4.321,941 7.022,942 8.053,943 3.141,944 13.421,945 6.837,946 10.568,947 1.438,948 13.103,949 4.263,950 8.512,951 9.926,952 4.259,953 16.106,954 8.296,955 11.963,956 1.312,957 14.958,958 3.381,959 9.391,960 10.915,961 4.564,962 18.561,963 9.151,964 13.379,965 1.208,966 16.847,967 3.061,968 10.685,969 12.566,970 5.486,971 21.18,972 10.42,973 3.502,974 1.034,975 18.764,976 2.766,977 11.752,978 13.781,979 5.962,980 23.751,981 11.47,982 3.048,983 13.894,984 20.702,985 2.472,986 12.982,987 15.331,988 6.773,989 26.369,990 12.683,991 2.87,992 9.799,993 22.659,994 4.454,995 14.136,996 16.67,997 7.337,998 28.978,999 13.823,1000 2.667,1001 9.054,1002 24.63,1003 3.689,1004 15.354,1005 18.176,1006 8.087,1007 31.601,1008 15.027,1009 2.512,1010 7.88,1011 26.613,1012 3.55,1013 16.548,1014 19.583,1015 8.698,1016 34.224,1017 16.21,1018 2.439,1019 7.733,1020 28.606,1021 3.455,1022 17.769,1023 21.073,1024 9.413,1025 36.851,1026 17.418,1027 2.243,1028 6.919,1029 30.606,1030 3.307,1031 18.986,1032 22.518,1033 10.051,1034 39.479,1035 18.623,1036 34993,1037 52949,1038 33.572,1039 57.296,1040 73.558,1041 74.499,1042 74.754,1043 72.898,1044 72.874,1045 91.008,1046 9.725,1047 207.32,1048 70.157,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.961,1059 1.501,1060 1.52,1061 1.526,1062 1.488,1063 1.487,1064 1.857,1065 0.198,1066 4.231,1067 1.432,1068 4.102,1069 4.116,1070 4.338,1071 4.117,1072 7.433,1073 4.067,1074 3.975,1075 4.018,1076 3.901,1077 3.886,1078 7.424,1079 3.879,1080 3.899,1081 3.96,1082 3.829,1083 3.789,1084 5.005,1085 3.787,1086 3.889,1087 3.928,1088 3.804,1089 3.711,1090 4.847,1091 3.731,1092 3.739,1093 3.803,1094 3.634,1095 3.582,1096 4.752,1097 3.585,1098 3.618,1099 3.684,1100 3.561,1101 3.469,1102 4.36,1103 3.46,1104 3.537,1105 3.566,1106 3.486,1107 3.461,1108 4.311,1109 3.439,1110 3.355,1111 3.426,1112 3.223,1113 3.158,1114 4.187,1115 3.159,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.589,1122 0.091,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.077,1137 2.063,1138 1.391,1139 2.064,1140 1.933,1141 1.901,1142 2.033,1143 2.022,1144 1.279,1145 2.025,1146 1.83,1147 1.765,1148 2.007,1149 1.995,1150 1.211,1151 2.015,1152 1.742,1153 1.701,1154 1.9,1155 1.917,1156 1.198,1157 1.913,1158 1.688,1159 1.637,1160 1.86,1161 1.879,1162 1.188,1163 1.87,1164 1.593,1165 1.539,1166 1.838,1167 1.77,1168 1.1,1169 1.793,1170 1.577,1171 1.507,1172 1.792,1173 1.751,1174 0.849,1175 1.786,1176 1.478,1177 1.464,1178 1.608,1179 1.591,1180 0.825,1181 1.603,1182 4.595,1183 5.916,1184 3.045,1185 7.425,1186 5.352,1187 9.016,1188 7.424,1189 10.651,1191 2.06,1197 10.591,1198 6.627,1201 -0.009,1202 4.732,1203 -0.867,1206 53.227,1207 129.147,1208 302.695,1209 410.936,1210 480.394,1211 485.904,1212 485.904,1213 90.771,1214 8.277,1215 90.46,1216 118.7,1217 34,1218 12.978,1219 4.644,1220 3.807,1221 65.963,1222 245,1223 292,1224 0.121,1225 326.902,1226 566.71,1227 789.402,1228 51681,1230 30.357,1231 0.69,1232 0.598,1233 30.711,1234 26.321,1235 21.471,1236 0.438,1237 0.341,1238 15.81,1239 20.428,1240 15.377,1241 12.696,1242 21.879,1243 16.71,1244 19.273,1245 0.283,1246 0.196,1247 19.915,1248 13.359,1249 16.302,1250 0.183,1251 0.114,1252 17.139,1253 10.135,1254 13.509,1255 0.119,1256 0.067,1257 14.41,1258 7.607,1259 10.708,1260 0.078,1261 0.037,1262 11.479,1263 5.11,1264 0.194,1265 136.948,1266 0.173,1267 39.228,1268 0.321,1269 234,1270 575.578,1271 276.596,1272 585.032,1273 806.74,1274 550,1275 274,1276 579.1,1277 316.33,1278 605.199,1279 886.92,1280 571,1281 8}
{0 CHEMBL1083869,1 1.491,2 18.174,3 7.67,4 58.826,5 186.439,6 7.043,7 0.431,8 4.58,9 4.707,10 4.128,11 4.169,12 5.566,13 4.107,14 5.171,15 5.358,16 4.516,17 4.603,18 6.115,19 4.509,20 5.498,21 5.729,22 4.566,23 4.752,24 6.405,25 4.62,26 5.6,27 5.866,28 4.487,29 4.733,30 6.469,31 4.583,32 5.552,33 5.806,34 4.514,35 4.718,36 6.517,37 4.579,38 5.553,39 5.787,40 4.571,41 4.78,42 6.474,43 4.64,44 5.644,45 5.903,46 4.528,47 4.816,48 6.49,49 4.665,50 5.65,51 5.907,52 4.551,53 4.818,54 6.547,55 4.677,56 0.064,57 1.368,58 20.823,59 9.21,60 10.759,61 12.266,62 0.333,63 2.339,64 40.487,65 15.854,66 37.841,67 21.547,68 0.583,69 3.032,70 60.502,71 21.665,72 68.85,73 29.537,74 0.603,75 3.083,76 67.466,77 23.64,78 81.319,79 32.45,80 0.804,81 2.912,82 66.01,83 22.757,84 121.59,85 30.687,86 0.655,87 3.081,88 66.054,89 23.246,90 90.014,91 31.212,92 0.593,93 3.248,94 70.461,95 25.548,96 80.298,97 35.12,98 0.708,99 3.351,100 68.876,101 24.991,102 98.564,103 34.147,104 17,105 71,106 0.22,107 0.502,108 0.693,109 0.817,110 0.847,111 0.847,112 3.853,113 1.032,114 -6.11,115 -5.95,116 -5.53,119 41.8,120 1,121 7,125 6,126 1,127 1,132 13,133 4,134 1,141 2,144 2,155 21,158 2,160 2,162 4,163 26,165 1,166 7,168 1,169 1,170 8,173 16,176 9,181 5,183 8,185 1,186 9,189 2,191 6,193 13,196 10,200 7,203 17,205 1,206 10,211 4,214 16,218 10,221 2,223 4,224 23,227 8,231 3,234 22,238 5832,239 31.264,240 31.264,241 31.264,242 31.264,243 31.264,244 28.367,245 32.559,246 18.53,247 31.777,248 25.197,249 25.197,250 25.197,251 25.197,252 25.197,253 20.855,254 38.772,255 8.871,256 26.07,257 5.017,258 3.113,259 1.818,260 0.979,261 0.778,262 0.778,263 4.563,268 1842,269 4.848,271 286.499,272 748.63,274 250.181,277 2.639,278 44.114,280 0.5,281 0.33,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.58,288 97.5,289 836,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 4.032,309 3.078,310 5.817,311 3.697,312 2.745,313 3.62,314 0.916,315 7.881,316 2.636,317 3.937,318 2.957,319 5.63,320 3.653,321 2.667,322 3.455,323 0.8,324 7.821,325 2.623,326 3.886,327 2.906,328 5.604,329 3.503,330 2.54,331 3.307,332 0.248,333 7.731,334 2.475,335 3.66,336 2.877,337 5.358,338 3.486,339 2.512,340 2.815,341 0.172,342 7.014,343 2.386,344 3.489,345 2.702,346 5.144,347 3.243,348 2.274,349 2.788,351 6.303,352 2.207,353 3.44,354 2.693,355 5.078,356 3.144,357 2.21,358 2.572,360 6.209,361 2.07,362 3.387,363 2.363,364 4.957,365 3.075,366 2.077,367 2.473,369 5.787,370 2.042,371 3.068,372 2.28,373 4.784,374 2.842,375 1.9,376 2.289,378 5.382,379 1.777,380 3.029,381 2.23,382 4.708,383 2.686,384 1.67,385 2.101,387 4.325,388 1.684,389 2.963,390 1.646,391 4.402,392 2.463,393 1.53,394 2.06,396 4.266,397 1.431,398 2.802,399 1.523,400 4.176,401 2.433,402 1.435,403 1.837,405 3.381,406 1.405,407 2.643,408 1.5,409 3.618,410 2.273,411 1.303,412 1.622,414 3.059,415 1.252,416 2.5,417 1.418,418 3.606,419 2.068,420 1.091,421 1.5,423 2.537,424 1.055,425 22.386,426 0.487,427 1.082,428 0.024,429 51.75,430 1.125,431 23,432 0.5,433 28.75,434 0.625,435 55.222,436 1.2,437 50.214,438 0.552,439 42.817,440 0.931,441 9.606,442 0.209,443 12.742,444 0.277,445 0.065,446 0.022,447 0.259,449 1,450 0.646,451 1.172,452 0.819,453 1.028,454 0.515,455 0.999,456 0.729,457 1.063,458 0.909,459 0.98,460 0.496,461 1,462 0.928,463 1.07,464 1.054,465 1.101,466 0.816,467 1.095,468 1.077,469 0.926,470 0.947,471 0.933,472 1.074,473 0.946,474 1.083,475 0.821,476 1.013,477 0.906,478 1.118,479 0.897,480 1.079,481 1.008,482 1.126,483 1.108,484 1.116,485 1.074,486 0.857,487 0.96,488 0.989,489 1.017,490 0.842,491 0.995,492 1.16,493 0.929,494 0.931,495 0.897,496 1.173,497 0.958,498 10.5,499 0.27,500 4.667,501 2.667,502 2.739,503 1.087,504 1.168,505 0.82,506 0.558,507 0.437,508 43841,509 102023,510 2.125,511 49.5,512 7,513 26,516 2,518 10,520 1.834,521 2.022,522 4.063,523 0.04,527 135.655,528 1.491,529 3.395,530 4.69,531 5.528,532 5.73,533 5.73,534 3.555,535 5.116,536 5.49,537 4.287,538 4437,539 9.751,540 89433.8,544 592.209,545 1.352,546 5.466,547 0.206,548 0.004,549 0.066,550 0.039,551 0.043,552 0.016,553 0.017,554 0.012,555 0.008,556 0.006,557 0.417,558 0.17,559 0.5,560 0.426,561 274.419,562 -0.009,563 -0.062,564 0.066,565 0.025,566 -0.005,567 0.034,568 0.04,570 0.035,571 0.027,572 0.071,573 -0.003,574 0.006,575 -0.054,576 -0.061,577 -0.111,578 0.002,579 -0.114,580 -0.056,581 -0.018,582 0.027,583 0.012,584 -0.048,585 0.02,586 0.014,587 0.059,588 0.026,589 0.072,590 0.047,591 0.069,592 -0.044,593 -0.049,594 -0.077,595 -0.09,596 -0.054,597 -0.09,599 -0.07,600 -0.018,601 -0.047,602 0.005,603 -0.01,604 -0.07,605 0.043,606 -0.013,607 0.028,608 -0.07,609 0.008,610 2.126,611 7.062,612 0.696,613 71.136,614 0.991,615 1.125,616 4.875,617 23.768,618 0.665,619 3.951,620 4.277,621 4.522,622 4.762,623 4.963,624 4.977,625 5.081,626 5.231,627 5.263,628 5.347,629 10.29,630 0.617,631 640.94,632 3.951,633 5.501,634 6.344,635 7.217,636 8.077,637 8.953,638 9.821,639 10.7,640 11.574,641 12.455,642 4.4,645 2,648 2,653 2,654 13,658 1,659 5,661 22,662 1,669 1,670 91,672 24,673 3,674 51,676 96,677 38,678 20,679 6,680 12,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 22,697 16,698 1,699 2,703 2,707 2,711 1,713 45,714 7,715 2,716 8,717 1,720 4,721 0.833,722 2,732 2,733 4,735 1,742 1,749 2,753 5,755 1,757 1,759 1,761 46,766 13,767 2,770 1,771 2,772 1,774 1,777 1,778 2.2,781 2,785 22.75,786 16.21,787 10.014,788 5.872,789 2.578,790 1.307,791 0.987,792 10.835,793 10.962,794 4.174,795 4.721,796 5.222,797 5.735,798 6.215,799 6.359,800 6.621,801 6.981,802 6.93,803 7.021,804 1,805 69,806 17.25,807 7.491,808 7.629,809 33.773,810 28.88,811 2.129,812 97.917,815 506.157,816 226.434,817 42.27,819 50.29,820 14.96,821 31.278,822 195.157,823 556.447,824 57.23,825 8.825,826 66.397,827 123.191,828 59.699,829 27.499,830 17.064,831 537.435,833 506.157,834 237.427,835 65.25,836 31.278,838 403.406,839 168.001,841 81.471,842 155.955,844 31.278,845 521.117,846 92.56,847 226.434,850 506.157,851 94.418,852 138.265,853 36.022,854 65.25,855 506.157,856 107.52,857 226.434,859 0.582,860 0.334,861 0.176,862 0.097,863 33,864 14,865 0.125,866 12,867 1,868 1.063,869 5.573,870 474.863,871 0.063,872 32,873 238.084,874 1,878 32.809,879 15.192,880 8.631,881 2.148,882 107.52,883 25.322,887 1.489,888 3.97,890 36.022,891 840.112,892 64,896 27.585,900 -0.209,902 90.207,903 102.391,904 0.229,905 0.522,906 0.721,907 0.85,908 0.881,909 0.881,910 5.427,911 2.21,912 6.333,913 6.303,914 4.963,915 5.409,916 2.509,917 7.141,918 4.897,919 6.61,920 2.077,921 7.892,922 6.209,923 4.575,924 5.165,925 1.738,926 8.249,927 4.465,928 7.908,929 1.9,930 9.56,931 5.787,932 6.583,933 7.521,934 3.201,935 11.308,936 6.454,937 9.239,938 1.67,939 11.303,940 5.382,941 7.048,942 8.108,943 3.149,944 13.394,945 6.882,946 10.605,947 1.53,948 13.102,949 4.325,950 8.527,951 9.959,952 4.265,953 16.08,954 8.342,955 11.996,956 1.435,957 14.945,958 4.266,959 9.393,960 10.952,961 4.566,962 18.538,963 9.18,964 13.406,965 1.303,966 16.826,967 3.381,968 10.681,969 12.593,970 5.487,971 21.162,972 10.451,973 3.502,974 1.091,975 18.737,976 3.059,977 11.739,978 13.807,979 5.962,980 23.738,981 11.489,982 3.048,983 13.894,984 20.672,985 2.537,986 12.968,987 15.352,988 6.773,989 26.359,990 12.701,991 2.745,992 9.799,993 22.628,994 4.454,995 14.118,996 16.689,997 7.337,998 28.971,999 13.834,1000 2.667,1001 7.881,1002 24.601,1003 3.689,1004 15.336,1005 18.192,1006 8.087,1007 31.597,1008 15.037,1009 2.54,1010 7.821,1011 26.586,1012 3.62,1013 16.53,1014 19.598,1015 8.698,1016 34.221,1017 16.216,1018 2.512,1019 7.731,1020 28.581,1021 3.455,1022 17.752,1023 21.085,1024 9.414,1025 36.849,1026 17.424,1027 2.274,1028 7.014,1029 30.584,1030 3.307,1031 18.969,1032 22.528,1033 10.051,1034 39.477,1035 18.627,1036 40401,1037 61847,1038 34.671,1039 60.506,1040 76.373,1041 77.669,1042 77.934,1043 75.773,1044 75.674,1045 93.979,1046 10.302,1047 215.432,1048 73.188,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 19.551,1059 1.498,1060 1.523,1061 1.528,1062 1.486,1063 1.484,1064 1.843,1065 0.202,1066 4.224,1067 1.435,1068 4.103,1069 4.118,1070 4.338,1071 4.118,1072 8.201,1073 4.068,1074 3.984,1075 4.023,1076 3.913,1077 3.896,1078 7.433,1079 3.89,1080 3.93,1081 3.971,1082 3.86,1083 3.849,1084 7.424,1085 3.846,1086 3.89,1087 3.93,1088 3.804,1089 3.787,1090 4.85,1091 3.785,1092 3.807,1093 3.866,1094 3.7,1095 3.642,1096 4.753,1097 3.645,1098 3.643,1099 3.708,1100 3.562,1101 3.493,1102 4.647,1103 3.488,1104 3.537,1105 3.566,1106 3.506,1107 3.469,1108 4.369,1109 3.439,1110 3.383,1111 3.457,1112 3.254,1113 3.181,1114 4.318,1115 3.184,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.589,1122 0.087,1123 4.082,1124 0.038,1125 7.627,1126 0.272,1127 4.485,1128 0.067,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.08,1137 2.067,1138 1.396,1139 2.072,1140 1.934,1141 1.901,1142 2.047,1143 2.027,1144 1.305,1145 2.038,1146 1.916,1147 1.884,1148 2.033,1149 1.995,1150 1.211,1151 2.015,1152 1.785,1153 1.726,1154 1.969,1155 1.947,1156 1.2,1157 1.956,1158 1.725,1159 1.683,1160 1.882,1161 1.91,1162 1.188,1163 1.9,1164 1.618,1165 1.565,1166 1.86,1167 1.791,1168 1.138,1169 1.809,1170 1.577,1171 1.507,1172 1.823,1173 1.751,1174 1.073,1175 1.793,1176 1.48,1177 1.468,1178 1.609,1179 1.599,1180 0.845,1181 1.607,1182 4.635,1183 5.958,1184 3.045,1185 7.462,1186 5.352,1187 9.047,1188 7.424,1189 10.674,1191 2.056,1193 13.279,1197 11.609,1198 6.625,1201 -0.017,1202 4.936,1203 -0.876,1206 56.148,1207 135.655,1208 308.917,1209 426.745,1210 503.09,1211 521.454,1212 521.454,1213 104.852,1214 8.384,1215 64.68,1216 92.92,1217 34,1218 12.992,1219 4.644,1220 3.807,1221 70.694,1222 272,1223 352,1224 0.116,1225 343.289,1226 602.68,1227 829.385,1228 60689,1229 1.1,1230 31.934,1231 0.694,1232 0.6,1233 31.418,1234 27.589,1235 22.348,1236 0.438,1237 0.344,1238 16.64,1239 21.318,1240 16.171,1241 13.343,1242 22.363,1243 17.536,1244 20.343,1245 0.287,1246 0.2,1247 20.363,1248 14.226,1249 16.862,1250 0.185,1251 0.118,1252 17.289,1253 10.712,1254 13.748,1255 0.119,1256 0.069,1257 14.507,1258 8,1259 11.129,1260 0.078,1261 0.039,1262 11.608,1263 5.486,1264 0.188,1265 142.206,1266 0.17,1267 40.827,1268 0.304,1269 244,1270 634.399,1271 286.486,1272 617.304,1273 836.45,1274 578,1275 284,1276 586.8,1277 325.41,1278 610.329,1279 892.06,1280 575,1281 8.2}
{0 CHEMBL1083870,1 1.453,2 17.4,3 6.742,4 45.457,5 183.694,6 6.933,7 0.44,8 4.569,9 4.699,10 4.108,11 4.152,12 5.534,13 4.088,14 5.158,15 5.349,16 4.487,17 4.584,18 6.062,19 4.486,20 5.478,21 5.714,22 4.534,23 4.732,24 6.338,25 4.595,26 5.576,27 5.841,28 4.469,29 4.716,30 6.423,31 4.564,32 5.543,33 5.799,34 4.5,35 4.699,36 6.508,37 4.561,38 5.529,39 5.763,40 4.551,41 4.763,42 6.43,43 4.623,44 5.625,45 5.882,46 4.496,47 4.808,48 6.455,49 4.651,50 5.637,51 5.9,52 4.515,53 4.811,54 6.48,55 4.661,56 0.08,57 1.314,58 21.02,59 8.902,60 11.531,61 12.173,62 0.356,63 2.247,64 40.483,65 15.245,66 34.272,67 21.274,68 0.603,69 2.889,70 59.501,71 20.771,72 55.585,73 29.069,74 0.551,75 2.966,76 65.405,77 22.86,78 64.673,79 31.821,80 0.825,81 2.883,82 65.547,83 21.921,84 116.378,85 29.886,86 0.597,87 2.952,88 64.465,89 22.341,90 76.534,91 30.387,92 0.57,93 3.142,94 68.737,95 25.062,96 72.138,97 34.71,98 0.631,99 3.172,100 67.458,101 24.507,102 78.576,103 34.445,104 10,105 69,106 0.215,107 0.508,108 0.706,109 0.83,110 0.858,111 0.858,112 3.832,113 1.038,114 -4.82,115 -4.73,116 -4.44,119 41.1,120 1,121 7,125 6,126 1,127 1,132 12,133 3,135 1,136 1,141 2,144 2,155 19,158 3,160 2,162 4,163 23,165 2,166 7,168 1,169 1,170 8,173 14,176 8,181 5,183 8,185 1,186 9,189 2,191 6,193 13,195 1,196 9,200 7,203 17,205 1,206 9,211 4,214 15,218 12,221 2,223 4,224 21,227 9,231 3,234 20,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 27.944,245 30.932,246 18.444,247 31.334,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 20.45,254 38.11,255 8.836,256 25.584,257 5.039,258 3.061,259 1.72,260 0.883,261 0.697,262 0.697,263 4.543,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 37.232,280 0.75,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.64,288 94.5,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.941,309 3.061,310 5.817,311 3.669,312 2.728,313 3.457,314 0.916,315 7.881,316 2.634,317 3.937,318 2.957,319 5.619,320 3.645,321 2.665,322 3.455,323 0.8,324 7.79,325 2.55,326 3.886,327 2.881,328 5.603,329 3.503,330 2.512,331 3.307,332 0.248,333 7.73,334 2.475,335 3.609,336 2.755,337 5.331,338 3.416,339 2.472,340 2.815,341 0.172,342 6.949,343 2.33,344 3.487,345 2.7,346 5.143,347 3.231,348 2.252,349 2.642,351 6.291,352 2.199,353 3.409,354 2.363,355 4.958,356 3.076,357 2.082,358 2.481,360 5.864,361 2.069,362 3.175,363 2.347,364 4.953,365 2.999,366 2.07,367 2.289,369 5.787,370 1.915,371 3.03,372 2.252,373 4.709,374 2.688,375 1.672,376 2.24,378 4.325,379 1.689,380 2.965,381 1.646,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.44,389 2.835,390 1.533,391 4.176,392 2.442,393 1.446,394 1.936,396 3.381,397 1.405,398 2.793,399 1.514,400 3.618,401 2.402,402 1.415,403 1.831,405 3.072,406 1.394,407 2.643,408 1.5,409 3.612,410 2.271,411 1.301,412 1.622,414 3.034,415 1.25,416 2.5,417 1.418,418 3.592,419 2.063,420 1.087,421 1.5,423 2.53,424 1.051,425 22,426 0.489,427 0.976,428 0.022,429 51.5,430 1.144,431 23,432 0.511,433 28.5,434 0.633,435 53.305,436 1.185,437 48.8,438 0.542,439 41.415,440 0.92,441 9.487,442 0.211,443 12.467,444 0.277,445 0.053,446 0.023,447 0.241,450 0.744,451 1.295,452 0.841,453 1.044,454 0.549,455 1.009,456 0.855,457 1.136,458 0.937,459 0.982,460 0.537,461 1.003,462 1.002,463 1.067,464 1.061,465 1.081,466 0.869,467 1.076,468 1.274,469 1.019,470 0.952,471 0.957,472 1.348,473 0.955,474 1.507,475 0.897,476 1.049,477 0.893,478 1.614,479 0.882,480 1.36,481 1.08,482 1.151,483 1.106,484 1.424,485 1.063,486 1.056,487 1.052,488 1.028,489 1.049,490 1.107,491 1.021,492 1.163,493 0.919,494 0.904,495 0.895,496 1.215,497 0.95,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 89068,510 2.141,511 50,512 7,513 25,515 1,516 2,518 10,520 1.83,521 2.053,522 4.013,523 0.049,527 130.774,528 1.453,529 3.431,530 4.772,531 5.608,532 5.795,533 5.795,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 584.267,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,562 0.001,563 -0.102,564 0.074,565 0.012,566 0.005,567 0.027,568 0.054,569 0.003,570 0.031,571 0.026,572 0.071,573 -0.008,574 0.043,575 -0.008,576 -0.053,577 -0.092,578 0.004,579 -0.099,580 -0.049,581 -0.048,582 0.033,583 -0.003,584 -0.05,585 0.011,586 0.003,587 0.097,588 0.018,589 0.086,590 0.067,591 0.074,592 -0.089,593 -0.05,594 -0.08,595 -0.083,596 -0.068,597 -0.082,598 -0.008,599 -0.079,600 -0.043,601 -0.064,602 -0.002,603 -0.034,604 -0.046,605 0.049,606 0.009,607 0.034,608 -0.047,609 0.02,610 2.109,611 7.059,612 0.711,613 67.404,614 0.988,615 1.124,616 3.586,617 12.86,618 0.665,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.614,631 623.94,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 5.6,645 2,648 2,651 1,653 2,654 13,655 1,658 1,659 4,661 22,662 1,670 90,672 24,673 2,674 50,676 95,677 37,678 19,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 21,697 16,698 1,699 2,703 2,707 2,713 45,714 7,715 2,716 8,717 1,720 5,721 0.833,722 2,727 1,732 2,733 4,735 1,742 1,749 2,753 5,755 1,757 1,761 45,766 13,767 2,770 1,771 2,772 1,774 1,778 2.2,781 2,785 21.917,786 16.017,787 9.847,788 5.814,789 2.561,790 1.308,791 0.985,792 10.604,793 10.876,794 4.159,795 4.694,796 5.198,797 5.713,798 6.181,799 6.32,800 6.603,801 6.968,802 6.917,803 6.996,804 0.917,805 67,806 16.849,807 7.261,808 7.528,809 33.222,810 28.319,811 2.028,812 91.25,815 506.157,816 216.456,817 59.056,819 50.29,821 31.278,822 185.178,823 556.447,824 59.056,825 8.825,826 66.397,827 113.715,828 88.256,829 26.997,830 2.104,831 525.664,833 506.157,834 244.234,835 50.29,836 31.278,838 388.446,839 168.001,841 93.275,842 134.173,843 16.786,844 31.278,845 506.157,846 109.346,847 216.456,850 506.157,851 84.868,852 137.836,853 36.022,854 67.075,855 506.157,856 109.346,857 216.456,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.126,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 235.133,874 1,878 31.849,879 14.982,880 8.38,881 2.167,882 109.346,883 26.597,884 4.483,887 1.499,888 4.183,890 36.022,891 831.958,892 63,896 27.58,900 -0.179,902 88.912,903 101.134,904 0.224,905 0.529,906 0.735,907 0.864,908 0.893,909 0.893,910 5.405,911 2.082,912 6.301,913 6.291,914 4.934,915 5.382,916 2.509,917 7.107,918 4.868,919 6.58,920 2.07,921 7.856,922 5.864,923 4.511,924 5.085,925 1.738,926 8.22,927 4.408,928 7.872,929 1.672,930 9.524,931 5.787,932 6.55,933 7.481,934 3.201,935 11.287,936 6.417,937 9.199,938 1.53,939 11.269,940 4.325,941 7.004,942 8.039,943 3.149,944 13.385,945 6.84,946 10.563,947 1.446,948 13.073,949 4.266,950 8.498,951 9.915,952 4.265,953 16.074,954 8.307,955 11.953,956 1.415,957 14.921,958 3.381,959 9.363,960 10.896,961 4.566,962 18.536,963 9.149,964 13.364,965 1.301,966 16.807,967 3.072,968 10.659,969 12.551,970 5.487,971 21.16,972 10.423,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.762,979 5.962,980 23.737,981 11.466,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.315,988 6.773,989 26.359,990 12.681,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.653,997 7.337,998 28.971,999 13.819,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.162,1006 8.087,1007 31.596,1008 15.023,1009 2.512,1010 7.79,1011 26.582,1012 3.457,1013 16.522,1014 19.57,1015 8.698,1016 34.221,1017 16.206,1018 2.472,1019 7.73,1020 28.578,1021 3.455,1022 17.745,1023 21.062,1024 9.414,1025 36.849,1026 17.415,1027 2.252,1028 6.949,1029 30.582,1030 3.307,1031 18.964,1032 22.508,1033 10.051,1034 39.477,1035 18.62,1036 37805,1037 55831,1038 34.265,1039 59.813,1040 74.633,1041 75.687,1042 75.871,1043 74.078,1044 74.055,1045 92.17,1046 10.302,1047 209.146,1048 71.656,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 16.243,1059 1.493,1060 1.514,1061 1.517,1062 1.482,1063 1.481,1064 1.843,1065 0.206,1066 4.183,1067 1.433,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.977,1075 4.019,1076 3.902,1077 3.888,1078 7.424,1079 3.882,1080 3.909,1081 3.962,1082 3.832,1083 3.795,1084 4.894,1085 3.795,1086 3.889,1087 3.929,1088 3.804,1089 3.777,1090 4.844,1091 3.779,1092 3.791,1093 3.852,1094 3.685,1095 3.634,1096 4.751,1097 3.636,1098 3.641,1099 3.706,1100 3.562,1101 3.491,1102 4.381,1103 3.486,1104 3.537,1105 3.566,1106 3.504,1107 3.469,1108 4.32,1109 3.439,1110 3.381,1111 3.455,1112 3.247,1113 3.181,1114 4.188,1115 3.183,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.063,1138 1.395,1139 2.068,1140 1.933,1141 1.901,1142 2.033,1143 2.024,1144 1.299,1145 2.033,1146 1.871,1147 1.823,1148 2.028,1149 1.995,1150 1.211,1151 2.015,1152 1.775,1153 1.721,1154 1.948,1155 1.936,1156 1.199,1157 1.943,1158 1.723,1159 1.68,1160 1.88,1161 1.908,1162 1.188,1163 1.899,1164 1.617,1165 1.564,1166 1.86,1167 1.79,1168 1.114,1169 1.809,1170 1.577,1171 1.507,1172 1.823,1173 1.751,1174 1.005,1175 1.793,1176 1.48,1177 1.468,1178 1.61,1179 1.599,1180 0.843,1181 1.608,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.063,1197 12.035,1198 6.652,1201 0.007,1202 5.022,1203 -0.859,1206 55.26,1207 130.774,1208 308.815,1209 429.499,1210 504.757,1211 521.512,1212 521.512,1213 94.165,1214 8.315,1215 77.57,1216 105.81,1217 34,1218 12.965,1219 4.644,1220 3.807,1221 68.312,1222 259,1223 320,1224 0.118,1225 339.293,1226 590.31,1227 819.635,1228 55250,1230 31.064,1231 0.69,1232 0.604,1233 31.418,1234 27.158,1235 21.954,1236 0.439,1237 0.346,1238 16.409,1239 20.971,1240 15.937,1241 13.168,1242 22.363,1243 17.296,1244 19.721,1245 0.286,1246 0.202,1247 20.363,1248 13.92,1249 16.452,1250 0.185,1251 0.118,1252 17.289,1253 10.504,1254 13.606,1255 0.119,1256 0.069,1257 14.507,1258 7.873,1259 10.838,1260 0.079,1261 0.039,1262 11.608,1263 5.353,1264 0.19,1265 139.431,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 559.933,1271 278.376,1272 572.163,1273 787.34,1274 538,1275 277,1276 559.931,1277 317.192,1278 588.653,1279 859.92,1280 555,1281 7.9}
{0 CHEMBL1083871,1 1.453,2 17.4,3 6.314,4 39.863,5 184.066,6 6.933,7 0.44,8 4.569,9 4.699,10 4.108,11 4.152,12 5.535,13 4.088,14 5.158,15 5.349,16 4.485,17 4.586,18 6.059,19 4.488,20 5.476,21 5.709,22 4.534,23 4.737,24 6.333,25 4.598,26 5.587,27 5.856,28 4.468,29 4.72,30 6.43,31 4.567,32 5.537,33 5.789,34 4.5,35 4.706,36 6.5,37 4.566,38 5.543,39 5.781,40 4.552,41 4.763,42 6.438,43 4.623,44 5.624,45 5.884,46 4.496,47 4.8,48 6.46,49 4.646,50 5.623,51 5.881,52 4.514,53 4.81,54 6.47,55 4.66,56 0.08,57 1.314,58 21.02,59 8.902,60 11.864,61 12.173,62 0.361,63 2.245,64 40.494,65 15.26,66 34.267,67 21.283,68 0.554,69 2.879,70 59.192,71 20.95,72 53.485,73 29.278,74 0.603,75 2.994,76 66.339,77 23.037,78 67.194,79 32.088,80 0.784,81 2.861,82 64.859,83 22.275,84 113.558,85 30.2,86 0.582,87 2.983,88 65.48,89 22.477,90 77.132,91 30.727,92 0.632,93 3.152,94 68.967,95 24.635,96 74.901,97 34.209,98 0.6,99 3.133,100 66.239,101 24.437,102 76.249,103 34.208,104 10,105 69,106 0.215,107 0.508,108 0.711,109 0.83,110 0.858,111 0.858,112 3.832,113 1.037,114 -4.82,115 -4.73,116 -4.44,119 41.1,120 1,121 7,125 6,126 1,127 1,132 11,133 4,135 2,141 2,144 2,155 19,158 4,160 2,162 4,163 23,165 1,166 7,168 1,169 1,170 8,173 14,175 1,176 8,181 5,183 8,185 1,186 9,189 2,191 6,193 13,196 9,200 7,203 17,205 2,206 9,211 4,214 16,218 10,221 2,223 4,224 22,227 9,231 3,234 20,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 27.944,245 30.932,246 18.444,247 31.332,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 20.45,254 38.11,255 8.836,256 25.573,257 5.039,258 3.058,259 1.687,260 0.883,261 0.697,262 0.697,263 4.543,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 36.841,280 0.75,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.64,288 94.5,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.941,309 3.061,310 5.817,311 3.674,312 2.728,313 3.457,314 0.916,315 7.881,316 2.634,317 3.937,318 2.957,319 5.619,320 3.648,321 2.665,322 3.455,323 0.8,324 7.79,325 2.582,326 3.886,327 2.881,328 5.603,329 3.503,330 2.512,331 3.307,332 0.248,333 7.73,334 2.475,335 3.609,336 2.755,337 5.331,338 3.426,339 2.472,340 2.815,341 0.172,342 6.949,343 2.347,344 3.487,345 2.7,346 5.143,347 3.232,348 2.252,349 2.642,351 6.291,352 2.2,353 3.409,354 2.363,355 4.958,356 3.076,357 2.082,358 2.481,360 5.864,361 2.069,362 3.175,363 2.347,364 4.953,365 2.999,366 2.07,367 2.289,369 5.787,370 1.915,371 3.03,372 2.252,373 4.709,374 2.688,375 1.672,376 2.24,378 4.325,379 1.689,380 2.965,381 1.646,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.436,389 2.835,390 1.533,391 4.176,392 2.438,393 1.446,394 1.936,396 3.381,397 1.405,398 2.793,399 1.514,400 3.618,401 2.382,402 1.415,403 1.831,405 3.072,406 1.365,407 2.643,408 1.5,409 3.612,410 2.27,411 1.301,412 1.622,414 3.034,415 1.25,416 2.5,417 1.418,418 3.592,419 2.063,420 1.087,421 1.5,423 2.53,424 1.051,425 22,426 0.489,427 0.976,428 0.022,429 51.5,430 1.144,431 23,432 0.511,433 28.5,434 0.633,435 53.33,436 1.185,437 48.8,438 0.542,439 41.39,440 0.92,441 9.483,442 0.211,443 12.471,444 0.277,445 0.053,446 0.023,447 0.241,450 0.744,451 1.295,452 0.841,453 1.044,454 0.545,455 1.009,456 0.865,457 1.108,458 0.94,459 0.969,460 0.54,461 0.995,462 0.972,463 1.122,464 1.06,465 1.115,466 0.852,467 1.101,468 1.279,469 0.952,470 0.947,471 0.921,472 1.34,473 0.929,474 1.435,475 0.936,476 1.047,477 0.936,478 1.593,479 0.916,480 1.366,481 1.104,482 1.134,483 1.097,484 1.408,485 1.049,486 1.114,487 0.998,488 1.037,489 1.012,490 1.134,491 0.996,492 1.136,493 0.948,494 0.91,495 0.925,496 1.219,497 0.976,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 89320,510 2.141,511 50,512 7,513 24,515 2,516 2,518 10,520 1.83,521 2.053,522 4.013,523 0.049,527 130.774,528 1.453,529 3.434,530 4.805,531 5.608,532 5.795,533 5.795,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 584.267,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,562 0.001,563 -0.102,564 0.074,565 0.012,566 0.009,567 0.027,568 0.044,569 0.033,570 0.028,571 0.04,572 0.067,574 0.038,575 -0.069,576 -0.056,577 -0.119,578 0.006,579 -0.118,580 -0.043,581 0.018,582 0.038,583 0.028,584 -0.049,585 0.034,586 0.027,587 0.049,588 0.014,589 0.055,590 0.075,591 0.049,592 -0.099,593 -0.08,594 -0.064,595 -0.079,596 -0.065,597 -0.07,598 -0.015,599 -0.015,600 -0.046,601 -0.036,602 -0.009,603 -0.017,604 -0.038,605 0.02,607 0.011,608 -0.046,610 2.108,611 7.06,612 0.711,613 67.404,614 0.988,615 1.124,616 3.586,617 12.86,618 0.665,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.614,631 623.94,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 5.6,645 2,648 2,651 1,653 2,654 13,655 1,658 1,659 4,661 22,662 1,670 90,672 24,673 2,674 50,676 95,677 37,678 19,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 21,697 16,698 1,699 2,703 2,707 2,713 45,714 7,715 2,716 8,717 1,720 5,721 0.833,722 2,727 1,732 2,733 4,735 1,742 1,749 2,753 5,755 1,757 1,761 45,766 13,767 2,770 1,771 2,772 1,774 1,778 2.2,781 2,785 21.917,786 16.017,787 9.847,788 5.803,789 2.561,790 1.308,791 0.985,792 10.604,793 10.876,794 4.159,795 4.694,796 5.198,797 5.713,798 6.181,799 6.32,800 6.603,801 6.968,802 6.917,803 6.996,804 0.917,805 67,806 16.846,807 7.257,808 7.528,809 33.222,810 28.328,811 2.028,812 91.25,815 506.157,816 216.456,817 59.056,819 50.29,821 31.278,822 185.178,823 556.447,824 59.056,825 8.825,826 66.397,827 104.239,828 100.027,829 36.473,830 2.104,831 513.893,833 506.157,834 244.234,835 50.29,836 31.278,838 388.446,839 168.001,841 99.566,842 127.882,843 16.786,844 31.278,845 506.157,846 109.346,847 216.456,850 506.157,851 85.297,852 137.407,853 36.022,854 67.075,855 506.157,856 109.346,857 216.456,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.126,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 235.133,874 1,878 31.849,879 14.982,880 8.38,881 2.168,882 109.346,883 26.554,884 4.253,887 1.5,888 4.323,890 36.022,891 831.958,892 63,896 27.581,900 -0.177,902 88.912,903 101.134,904 0.224,905 0.529,906 0.74,907 0.864,908 0.893,909 0.893,910 5.405,911 2.082,912 6.301,913 6.291,914 4.934,915 5.382,916 2.509,917 7.107,918 4.87,919 6.58,920 2.07,921 7.856,922 5.864,923 4.511,924 5.085,925 1.738,926 8.22,927 4.415,928 7.872,929 1.672,930 9.524,931 5.787,932 6.55,933 7.481,934 3.201,935 11.287,936 6.422,937 9.199,938 1.53,939 11.269,940 4.325,941 7.004,942 8.039,943 3.149,944 13.385,945 6.849,946 10.563,947 1.446,948 13.073,949 4.266,950 8.498,951 9.915,952 4.265,953 16.074,954 8.314,955 11.953,956 1.415,957 14.921,958 3.381,959 9.363,960 10.896,961 4.566,962 18.536,963 9.158,964 13.364,965 1.301,966 16.807,967 3.072,968 10.659,969 12.551,970 5.487,971 21.16,972 10.43,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.762,979 5.962,980 23.737,981 11.473,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.315,988 6.773,989 26.359,990 12.687,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.653,997 7.337,998 28.971,999 13.824,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.162,1006 8.087,1007 31.596,1008 15.028,1009 2.512,1010 7.79,1011 26.582,1012 3.457,1013 16.522,1014 19.57,1015 8.698,1016 34.221,1017 16.21,1018 2.472,1019 7.73,1020 28.578,1021 3.455,1022 17.745,1023 21.062,1024 9.414,1025 36.849,1026 17.418,1027 2.252,1028 6.949,1029 30.582,1030 3.307,1031 18.964,1032 22.508,1033 10.051,1034 39.477,1035 18.622,1036 37805,1037 55907,1038 34.265,1039 59.813,1040 74.633,1041 75.687,1042 75.871,1043 74.068,1044 74.055,1045 92.17,1046 10.302,1047 209.146,1048 71.684,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 16.243,1059 1.493,1060 1.514,1061 1.517,1062 1.481,1063 1.481,1064 1.843,1065 0.206,1066 4.183,1067 1.434,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.978,1075 4.02,1076 3.902,1077 3.889,1078 7.424,1079 3.882,1080 3.912,1081 3.963,1082 3.835,1083 3.801,1084 4.902,1085 3.802,1086 3.889,1087 3.929,1088 3.804,1089 3.782,1090 4.845,1091 3.782,1092 3.79,1093 3.851,1094 3.684,1095 3.631,1096 4.752,1097 3.633,1098 3.639,1099 3.705,1100 3.562,1101 3.488,1102 4.386,1103 3.484,1104 3.537,1105 3.566,1106 3.503,1107 3.469,1108 4.321,1109 3.439,1110 3.378,1111 3.453,1112 3.245,1113 3.176,1114 4.189,1115 3.178,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.079,1137 2.064,1138 1.395,1139 2.069,1140 1.933,1141 1.901,1142 2.033,1143 2.025,1144 1.302,1145 2.034,1146 1.878,1147 1.832,1148 2.032,1149 1.995,1150 1.211,1151 2.015,1152 1.774,1153 1.72,1154 1.949,1155 1.936,1156 1.199,1157 1.943,1158 1.722,1159 1.678,1160 1.877,1161 1.908,1162 1.188,1163 1.898,1164 1.615,1165 1.561,1166 1.86,1167 1.789,1168 1.119,1169 1.807,1170 1.577,1171 1.507,1172 1.821,1173 1.751,1174 1.027,1175 1.793,1176 1.48,1177 1.467,1178 1.609,1179 1.598,1180 0.84,1181 1.607,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.063,1197 12.133,1198 6.653,1201 0.008,1202 5.049,1203 -0.858,1206 55.26,1207 130.774,1208 309.026,1209 432.464,1210 504.757,1211 521.512,1212 521.512,1213 94.042,1214 8.315,1215 77.57,1216 105.81,1217 34,1218 12.965,1219 4.644,1220 3.807,1221 68.312,1222 259,1223 320,1224 0.118,1225 339.293,1226 590.31,1227 819.635,1228 55250,1230 31.064,1231 0.69,1232 0.604,1233 31.418,1234 27.158,1235 21.954,1236 0.439,1237 0.346,1238 16.398,1239 20.968,1240 15.922,1241 13.16,1242 22.363,1243 17.286,1244 19.721,1245 0.286,1246 0.202,1247 20.363,1248 13.96,1249 16.452,1250 0.185,1251 0.118,1252 17.289,1253 10.522,1254 13.606,1255 0.119,1256 0.069,1257 14.507,1258 7.902,1259 10.838,1260 0.079,1261 0.039,1262 11.608,1263 5.365,1264 0.19,1265 139.477,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 559.933,1271 278.043,1272 572.452,1273 786.5,1274 538,1275 277,1276 557.579,1277 316.998,1278 587.459,1279 857.32,1280 553,1281 8.2}
{0 CHEMBL1083872,1 1.453,2 17.4,3 6.314,4 39.863,5 184.066,6 6.933,7 0.44,8 4.569,9 4.699,10 4.108,11 4.152,12 5.535,13 4.088,14 5.158,15 5.349,16 4.485,17 4.586,18 6.06,19 4.488,20 5.476,21 5.71,22 4.532,23 4.739,24 6.331,25 4.6,26 5.585,27 5.852,28 4.468,29 4.725,30 6.426,31 4.571,32 5.548,33 5.805,34 4.499,35 4.711,36 6.507,37 4.569,38 5.537,39 5.771,40 4.552,41 4.77,42 6.43,43 4.627,44 5.637,45 5.9,46 4.498,47 4.8,48 6.468,49 4.646,50 5.622,51 5.883,52 4.514,53 4.802,54 6.475,55 4.655,56 0.08,57 1.314,58 21.02,59 8.902,60 11.864,61 12.173,62 0.361,63 2.245,64 40.494,65 15.26,66 34.601,67 21.283,68 0.559,69 2.877,70 59.204,71 20.965,72 53.481,73 29.286,74 0.554,75 2.985,76 66.03,77 23.216,78 65.095,79 32.296,80 0.837,81 2.889,82 65.792,83 22.451,84 116.079,85 30.466,86 0.541,87 2.961,88 64.792,89 22.831,90 74.313,91 31.04,92 0.617,93 3.184,94 69.982,95 24.77,96 75.499,97 34.549,98 0.662,99 3.142,100 66.469,101 24.009,102 79.012,103 33.707,104 10,105 69,106 0.215,107 0.508,108 0.71,109 0.822,110 0.845,111 0.845,112 3.832,113 1.037,114 -4.82,115 -4.73,116 -4.44,119 41.1,120 1,121 7,125 6,126 1,127 1,132 11,133 4,135 2,141 2,144 2,155 19,158 4,160 2,162 4,163 23,165 1,166 8,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 2,186 9,189 2,191 6,193 13,196 10,200 7,203 17,205 1,206 8,211 4,214 16,217 1,218 10,221 2,223 4,224 23,227 8,231 3,234 20,238 5441,239 30.816,240 30.816,241 30.816,242 30.816,243 30.816,244 27.944,245 30.932,246 18.444,247 31.34,248 24.731,249 24.731,250 24.731,251 24.731,252 24.731,253 20.45,254 38.11,255 8.836,256 25.578,257 5.039,258 3.058,259 1.695,260 0.936,261 0.786,262 0.786,263 4.543,267 1,268 1730,269 4.796,271 277.808,272 729.354,274 242.551,277 2.596,278 36.727,280 0.75,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.64,288 94.5,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.941,309 3.061,310 5.817,311 3.675,312 2.728,313 3.457,314 0.916,315 7.881,316 2.634,317 3.937,318 2.957,319 5.619,320 3.649,321 2.665,322 3.455,323 0.8,324 7.79,325 2.588,326 3.886,327 2.881,328 5.603,329 3.503,330 2.512,331 3.307,332 0.248,333 7.73,334 2.475,335 3.609,336 2.755,337 5.331,338 3.428,339 2.472,340 2.815,341 0.172,342 6.949,343 2.35,344 3.487,345 2.7,346 5.143,347 3.232,348 2.252,349 2.642,351 6.291,352 2.201,353 3.409,354 2.363,355 4.958,356 3.076,357 2.082,358 2.481,360 5.864,361 2.069,362 3.175,363 2.347,364 4.953,365 3,366 2.07,367 2.289,369 5.787,370 1.914,371 3.03,372 2.252,373 4.709,374 2.688,375 1.672,376 2.24,378 4.325,379 1.689,380 2.965,381 1.646,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.434,389 2.835,390 1.533,391 4.176,392 2.437,393 1.446,394 1.936,396 3.381,397 1.405,398 2.793,399 1.514,400 3.618,401 2.358,402 1.415,403 1.831,405 3.072,406 1.329,407 2.643,408 1.5,409 3.612,410 2.27,411 1.301,412 1.622,414 3.034,415 1.248,416 2.5,417 1.418,418 3.592,419 2.063,420 1.087,421 1.5,423 2.53,424 1.05,425 22,426 0.489,427 0.976,428 0.022,429 51.5,430 1.144,431 23,432 0.511,433 28.5,434 0.633,435 53.347,436 1.185,437 48.8,438 0.542,439 41.372,440 0.919,441 9.484,442 0.211,443 12.471,444 0.277,445 0.053,446 0.023,447 0.241,450 0.744,451 1.295,452 0.841,453 1.044,454 0.545,455 1.009,456 0.865,457 1.108,458 0.94,459 0.969,460 0.538,461 0.995,462 0.979,463 1.101,464 1.062,465 1.105,466 0.855,467 1.096,468 1.253,469 1.001,470 0.946,471 0.951,472 1.326,473 0.951,474 1.438,475 0.868,476 1.041,477 0.898,478 1.583,479 0.889,480 1.294,481 1.144,482 1.132,483 1.141,484 1.387,485 1.084,486 1.123,487 1.02,488 1.023,489 1.005,490 1.124,491 0.984,492 1.194,493 0.893,494 0.918,495 0.888,496 1.246,497 0.95,498 9.5,499 0.253,500 4.222,501 2.604,502 2.548,503 1.031,504 1.086,505 0.758,506 0.546,507 0.402,508 41170,509 89572,510 2.141,511 50,512 7,513 24,515 2,516 2,518 10,520 1.83,521 2.053,522 4.013,523 0.049,527 130.774,528 1.453,529 3.434,530 4.797,531 5.556,532 5.706,533 5.706,534 3.48,535 4.925,536 5.459,537 4.239,538 4196.39,539 9.691,540 82838.6,544 584.267,545 1.269,546 5.441,547 0.19,548 0.004,549 0.061,550 0.039,551 0.04,552 0.016,553 0.016,554 0.011,555 0.008,556 0.006,557 0.391,558 0.17,559 0.63,560 0.383,561 266.276,562 0.001,563 -0.102,564 0.074,565 0.012,566 0.009,567 0.027,568 0.044,569 0.033,570 0.028,571 0.04,572 0.069,574 0.031,575 -0.048,576 -0.059,577 -0.109,578 0.003,579 -0.112,580 -0.047,581 -0.036,582 0.035,583 0.004,584 -0.047,585 0.017,586 0.032,587 0.118,588 0.02,589 0.087,590 0.074,591 0.072,592 -0.076,593 -0.128,594 -0.069,595 -0.111,596 -0.057,597 -0.095,598 -0.025,599 -0.041,600 -0.032,601 -0.034,602 -0.007,603 -0.007,604 -0.045,605 0.084,606 -0.003,607 0.039,608 -0.054,609 0.017,610 2.108,611 7.06,612 0.711,613 67.404,614 0.988,615 1.124,616 3.586,617 12.86,618 0.665,619 3.932,620 4.248,621 4.5,622 4.745,623 4.934,624 4.949,625 5.056,626 5.209,627 5.242,628 5.308,629 10.001,630 0.614,631 623.94,632 3.932,633 5.476,634 6.319,635 7.191,636 8.05,637 8.926,638 9.793,639 10.673,640 11.546,641 12.428,642 5.6,645 2,648 2,651 1,653 2,654 13,655 1,658 1,659 4,661 22,662 1,670 90,672 24,673 2,674 50,676 95,677 37,678 19,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 21,697 16,698 1,699 2,703 2,707 2,713 45,714 7,715 2,716 8,717 1,720 5,721 0.833,722 2,727 1,732 2,733 4,735 1,742 1,749 2,753 5,755 1,757 1,761 45,766 13,767 2,770 1,771 2,772 1,774 1,778 2.2,781 2,785 21.917,786 16.017,787 9.847,788 5.803,789 2.561,790 1.308,791 0.985,792 10.604,793 10.876,794 4.159,795 4.694,796 5.198,797 5.713,798 6.181,799 6.32,800 6.603,801 6.968,802 6.917,803 6.996,804 0.917,805 67,806 16.845,807 7.255,808 7.528,809 33.222,810 28.328,811 2.028,812 91.25,815 506.157,816 216.456,817 59.056,819 50.29,821 31.278,822 185.178,823 556.447,824 59.056,825 8.825,826 66.397,827 104.239,828 100.027,829 36.473,830 2.104,831 513.893,833 506.157,834 244.234,835 50.29,836 31.278,838 388.446,839 168.001,841 99.566,842 127.882,843 16.786,844 31.278,845 506.157,846 109.346,847 216.456,850 506.157,851 85.297,852 137.407,853 36.022,854 67.075,855 506.157,856 109.346,857 216.456,859 0.578,860 0.333,861 0.179,862 0.097,863 32,864 13,865 0.126,866 12,867 1,868 1.063,869 5.515,870 461.869,871 0.063,872 32,873 231.133,874 1,878 31.849,879 14.982,880 8.38,881 2.168,882 109.346,883 26.549,884 4.132,887 1.5,888 4.373,890 36.022,891 831.958,892 63,896 27.582,900 -0.176,902 88.912,903 101.134,904 0.224,905 0.529,906 0.739,907 0.856,908 0.879,909 0.879,910 5.405,911 2.082,912 6.301,913 6.291,914 4.934,915 5.382,916 2.509,917 7.107,918 4.87,919 6.58,920 2.07,921 7.856,922 5.864,923 4.511,924 5.085,925 1.738,926 8.22,927 4.415,928 7.872,929 1.672,930 9.524,931 5.787,932 6.55,933 7.481,934 3.201,935 11.287,936 6.422,937 9.199,938 1.53,939 11.269,940 4.325,941 7.004,942 8.039,943 3.149,944 13.385,945 6.85,946 10.563,947 1.446,948 13.073,949 4.266,950 8.498,951 9.915,952 4.265,953 16.074,954 8.316,955 11.953,956 1.415,957 14.921,958 3.381,959 9.363,960 10.896,961 4.566,962 18.536,963 9.159,964 13.364,965 1.301,966 16.807,967 3.072,968 10.659,969 12.551,970 5.487,971 21.16,972 10.432,973 3.502,974 1.087,975 18.722,976 3.034,977 11.72,978 13.762,979 5.962,980 23.737,981 11.475,982 3.048,983 13.894,984 20.662,985 2.53,986 12.953,987 15.315,988 6.773,989 26.359,990 12.688,991 2.728,992 9.799,993 22.62,994 4.454,995 14.105,996 16.653,997 7.337,998 28.971,999 13.825,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.325,1005 18.162,1006 8.087,1007 31.596,1008 15.029,1009 2.512,1010 7.79,1011 26.582,1012 3.457,1013 16.522,1014 19.57,1015 8.698,1016 34.221,1017 16.21,1018 2.472,1019 7.73,1020 28.578,1021 3.455,1022 17.745,1023 21.062,1024 9.414,1025 36.849,1026 17.419,1027 2.252,1028 6.949,1029 30.582,1030 3.307,1031 18.964,1032 22.508,1033 10.051,1034 39.477,1035 18.623,1036 37805,1037 55985,1038 34.265,1039 59.813,1040 74.633,1041 75.687,1042 75.871,1043 74.073,1044 74.055,1045 92.17,1046 10.302,1047 209.146,1048 71.68,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 16.243,1059 1.493,1060 1.514,1061 1.517,1062 1.481,1063 1.481,1064 1.843,1065 0.206,1066 4.183,1067 1.434,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.978,1075 4.02,1076 3.903,1077 3.889,1078 7.424,1079 3.882,1080 3.913,1081 3.964,1082 3.835,1083 3.803,1084 4.904,1085 3.804,1086 3.889,1087 3.929,1088 3.804,1089 3.783,1090 4.845,1091 3.782,1092 3.79,1093 3.851,1094 3.684,1095 3.63,1096 4.752,1097 3.632,1098 3.639,1099 3.705,1100 3.562,1101 3.487,1102 4.389,1103 3.483,1104 3.537,1105 3.566,1106 3.503,1107 3.468,1108 4.322,1109 3.439,1110 3.376,1111 3.451,1112 3.243,1113 3.172,1114 4.189,1115 3.174,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.079,1137 2.064,1138 1.395,1139 2.069,1140 1.933,1141 1.901,1142 2.034,1143 2.025,1144 1.302,1145 2.034,1146 1.881,1147 1.835,1148 2.033,1149 1.995,1150 1.211,1151 2.015,1152 1.773,1153 1.719,1154 1.949,1155 1.936,1156 1.199,1157 1.943,1158 1.721,1159 1.677,1160 1.876,1161 1.908,1162 1.188,1163 1.898,1164 1.614,1165 1.56,1166 1.86,1167 1.789,1168 1.121,1169 1.807,1170 1.577,1171 1.507,1172 1.821,1173 1.751,1174 1.033,1175 1.793,1176 1.48,1177 1.467,1178 1.609,1179 1.598,1180 0.839,1181 1.606,1182 4.615,1183 5.932,1184 3.045,1185 7.433,1186 5.352,1187 9.016,1188 7.424,1189 10.642,1191 2.064,1197 12.188,1198 6.655,1201 0.009,1202 5.065,1203 -0.858,1206 55.26,1207 130.774,1208 309.026,1209 431.71,1210 500.002,1211 513.512,1212 513.512,1213 93.81,1214 8.315,1215 77.57,1216 105.81,1217 34,1218 12.965,1219 4.644,1220 3.807,1221 68.312,1222 259,1223 320,1224 0.118,1225 339.293,1226 590.31,1227 819.635,1228 55250,1230 31.064,1231 0.69,1232 0.604,1233 31.418,1234 27.158,1235 21.954,1236 0.439,1237 0.346,1238 16.398,1239 20.964,1240 15.923,1241 13.158,1242 22.363,1243 17.286,1244 19.721,1245 0.286,1246 0.202,1247 20.363,1248 13.955,1249 16.452,1250 0.185,1251 0.119,1252 17.289,1253 10.548,1254 13.606,1255 0.119,1256 0.069,1257 14.507,1258 7.899,1259 10.838,1260 0.079,1261 0.039,1262 11.608,1263 5.375,1264 0.19,1265 139.477,1266 0.171,1267 40.071,1268 0.311,1269 238,1270 559.933,1271 278.043,1272 572.321,1273 786.46,1274 538,1275 277,1276 557.579,1277 316.832,1278 587.164,1279 856.92,1280 553,1281 8.4}
{0 CHEMBL1083873,1 1.478,2 16.614,3 7.418,4 55.022,5 185.057,6 7.147,7 0.429,8 4.546,9 4.671,10 4.139,11 4.162,12 5.492,13 4.081,14 5.139,15 5.325,16 4.525,17 4.601,18 6.025,19 4.485,20 5.451,21 5.682,22 4.522,23 4.721,24 6.292,25 4.568,26 5.553,27 5.816,28 4.488,29 4.711,30 6.396,31 4.551,32 5.522,33 5.772,34 4.523,35 4.714,36 6.48,37 4.558,38 5.508,39 5.735,40 4.552,41 4.76,42 6.402,43 4.607,44 5.596,45 5.855,46 4.485,47 4.781,48 6.425,49 4.621,50 5.599,51 5.857,52 4.515,53 4.797,54 6.444,55 4.642,56 0.08,57 1.269,58 20.954,59 9.089,60 10.422,61 12.066,62 0.35,63 2.211,64 41.472,65 15.977,66 31.714,67 21.333,68 0.57,69 2.851,70 61.657,71 21.53,72 49.901,73 28.915,74 0.537,75 2.951,76 65.43,77 23.372,78 61.217,79 31.459,80 0.8,81 2.886,82 68.85,83 23.589,84 111.392,85 30.239,86 0.555,87 2.935,88 66.891,89 23.287,90 71.588,91 30.393,92 0.566,93 3.093,94 67.939,95 24.935,96 69.648,97 33.793,98 0.607,99 3.109,100 67.179,101 24.74,102 73.361,103 33.556,104 10,105 68,106 0.22,107 0.509,108 0.713,109 0.832,110 0.855,111 0.855,112 3.81,113 1.09,114 -5.47,115 -5.35,116 -4.99,119 40.9,120 1,121 7,125 6,126 1,127 1,132 11,133 3,140 1,141 3,144 2,155 18,158 1,160 2,162 4,163 24,165 1,166 7,168 1,169 1,170 8,173 14,176 8,181 5,183 8,185 1,186 8,189 2,191 6,193 13,196 10,200 7,203 17,205 1,206 9,211 4,214 15,218 10,221 2,223 4,224 22,227 8,231 3,234 21,238 5064,239 30.109,240 30.109,241 30.109,242 30.109,243 30.109,244 27.367,245 30.932,246 17.944,247 30.775,248 24.231,249 24.231,250 24.231,251 24.231,252 24.231,253 20.117,254 38.11,255 8.586,256 25.323,257 4.981,258 3.039,259 1.665,260 0.867,261 0.713,262 0.713,263 4.52,268 1619,269 4.796,271 433.512,272 521.626,274 236.067,277 2.579,278 35.255,280 0.5,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.6,288 92,289 731,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.961,309 3.063,310 5.817,311 3.664,312 2.733,313 3.49,314 0.916,315 7.881,316 2.634,317 3.937,318 2.957,319 5.622,320 3.638,321 2.665,322 3.455,323 0.8,324 7.798,325 2.498,326 3.886,327 2.881,328 5.603,329 3.503,330 2.512,331 3.307,332 0.248,333 7.73,334 2.475,335 3.611,336 2.76,337 5.335,338 3.396,339 2.483,340 2.815,341 0.172,342 6.958,343 2.268,344 3.487,345 2.7,346 5.143,347 3.23,348 2.253,349 2.638,351 6.292,352 2.187,353 3.409,354 2.363,355 4.962,356 3.076,357 2.083,358 2.48,360 5.885,361 2.068,362 3.158,363 2.356,364 4.957,365 2.984,366 2.071,367 2.289,369 5.787,370 1.88,371 3.03,372 2.252,373 4.709,374 2.688,375 1.671,376 2.186,378 4.325,379 1.688,380 2.964,381 1.646,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.433,389 2.804,390 1.523,391 4.176,392 2.434,393 1.437,394 1.842,396 3.381,397 1.405,398 2.643,399 1.5,400 3.618,401 2.276,402 1.306,403 1.622,405 3.06,406 1.256,407 2.559,408 1.418,409 3.607,410 2.145,411 1.188,412 1.578,414 2.636,415 1.124,416 2.5,417 1.34,418 3.533,419 2.038,420 1.069,421 1.5,423 2.48,424 1.022,425 21.933,426 0.498,427 0.976,428 0.022,429 48.5,430 1.102,431 21,432 0.477,433 27.5,434 0.625,435 54.326,436 1.235,437 47.667,438 0.542,439 37.605,440 0.855,441 8.672,442 0.197,443 12.782,444 0.29,445 0.053,446 0.023,447 0.242,450 0.738,451 1.218,452 0.811,453 0.969,454 0.544,455 0.98,456 0.842,457 1.082,458 0.923,459 0.943,460 0.521,461 0.982,462 0.999,463 1.127,464 1.076,465 1.119,466 0.859,467 1.1,468 1.305,469 0.983,470 0.842,471 0.87,472 1.37,473 0.924,474 1.508,475 0.892,476 1.067,477 0.918,478 1.619,479 0.887,480 1.367,481 1.158,482 1.146,483 1.146,484 1.433,485 1.093,486 1.104,487 1.018,488 0.891,489 0.939,490 1.137,491 0.979,492 1.201,493 0.903,494 0.851,495 0.853,496 1.249,497 0.934,498 9.5,499 0.253,500 4.222,501 2.639,502 2.432,503 1.073,504 1.076,505 0.724,506 0.54,507 0.401,508 38588,509 84950,510 2.145,511 50,512 7,513 24,514 1,516 2,518 10,520 1.825,521 2.054,522 3.957,523 0.058,527 130.098,528 1.478,529 3.421,530 4.794,531 5.593,532 5.746,533 5.746,534 3.479,535 4.897,536 5.426,537 4.195,538 3968.09,539 9.629,540 76703.9,544 568.43,545 1.285,546 5.408,547 0.194,548 0.004,549 0.062,550 0.041,551 0.039,552 0.017,553 0.016,554 0.011,555 0.008,556 0.006,557 0.398,558 0.17,559 0.5,560 0.388,561 258.243,562 0.001,563 -0.059,564 0.08,565 0.043,567 0.04,568 0.061,569 0.042,570 0.036,571 0.049,572 0.073,573 0.006,574 0.045,575 -0.075,576 -0.086,577 -0.142,578 0.009,579 -0.126,580 -0.047,581 -0.016,582 0.052,583 0.028,584 -0.046,585 0.028,586 0.013,587 0.106,588 -0.005,589 0.072,590 0.082,591 0.073,592 -0.089,593 -0.136,594 -0.109,595 -0.14,596 -0.061,597 -0.115,598 -0.007,599 -0.055,600 -0.019,601 -0.034,602 0.002,603 -0.014,604 -0.05,605 0.064,607 0.035,608 -0.045,609 0.024,610 2.1,611 7.045,612 0.705,613 64.012,614 0.987,615 1.12,616 4.239,617 17.972,618 0.676,619 3.912,620 4.234,621 4.489,622 4.736,623 4.89,624 4.934,625 5.043,626 5.187,627 5.22,628 5.288,629 9.735,630 0.618,631 628.98,632 3.912,633 5.46,634 6.304,635 7.179,636 8.039,637 8.917,638 9.786,639 10.667,640 11.541,641 12.424,642 4.5,645 2,648 2,653 2,654 12,658 2,659 4,661 21,662 1,670 88,672 23,673 2,674 49,676 93,677 36,678 18,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 20,697 16,698 1,699 2,703 2,707 2,713 44,714 6,715 2,716 8,717 2,720 4,721 0.833,722 2,732 3,733 3,735 1,742 1,749 2,753 5,755 2,757 1,761 44,766 13,767 2,770 1,771 2,772 1,774 2,778 2.3,781 2,785 21.417,786 15.65,787 9.597,788 5.683,789 2.41,790 1.292,791 0.99,792 10.585,793 10.651,794 4.135,795 4.673,796 5.179,797 5.696,798 6.082,799 6.292,800 6.582,801 6.939,802 6.886,803 6.968,804 1,805 64,806 16.496,807 7.132,808 7.502,809 32.676,810 28.058,811 2.002,812 88.083,815 494.386,816 235.46,817 42.27,819 50.29,821 62.555,822 172.905,823 544.676,824 42.27,825 8.825,826 66.397,827 111.888,828 59.699,829 15.193,830 15.234,831 545.171,833 494.386,834 215.175,835 50.29,836 62.555,838 376.675,839 168.001,841 81.471,842 133.704,844 62.555,845 494.386,846 92.56,847 235.46,850 494.386,851 114.747,852 126.962,853 36.022,854 50.29,855 494.386,856 92.56,857 235.46,859 0.579,860 0.335,861 0.18,862 0.093,863 32,864 13,865 0.129,866 12,867 1,868 1.065,869 5.438,870 449.84,871 0.065,872 31,873 225.46,874 2,878 31.537,879 14.767,880 8.243,881 2.175,882 92.56,883 25.174,887 3.343,888 4.512,890 36.022,891 822.407,892 61.5,896 27.557,900 -0.165,902 86.887,903 98.556,904 0.229,905 0.53,906 0.742,907 0.866,908 0.89,909 0.89,910 5.386,911 2.083,912 6.29,913 6.292,914 4.92,915 5.361,916 2.509,917 7.101,918 4.838,919 6.562,920 2.071,921 7.848,922 5.885,923 4.511,924 5.085,925 1.738,926 8.22,927 4.393,928 7.858,929 1.671,930 9.519,931 5.787,932 6.541,933 7.464,934 3.201,935 11.286,936 6.386,937 9.188,938 1.53,939 11.266,940 4.325,941 7.013,942 8.063,943 3.149,944 13.386,945 6.828,946 10.556,947 1.437,948 13.071,949 4.266,950 8.494,951 9.901,952 4.265,953 16.074,954 8.281,955 11.949,956 1.306,957 14.921,958 3.381,959 9.37,960 10.921,961 4.566,962 18.536,963 9.137,964 13.362,965 1.188,966 16.807,967 3.06,968 10.658,969 12.542,970 5.487,971 21.16,972 10.404,973 3.502,974 1.069,975 18.722,976 2.636,977 11.724,978 13.781,979 5.962,980 23.737,981 11.455,982 3.048,983 13.894,984 20.662,985 2.48,986 12.953,987 15.312,988 6.773,989 26.359,990 12.668,991 2.733,992 9.799,993 22.621,994 4.454,995 14.108,996 16.666,997 7.337,998 28.971,999 13.81,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.326,1005 18.162,1006 8.087,1007 31.597,1008 15.015,1009 2.512,1010 7.798,1011 26.582,1012 3.49,1013 16.524,1014 19.578,1015 8.698,1016 34.221,1017 16.2,1018 2.483,1019 7.73,1020 28.578,1021 3.455,1022 17.746,1023 21.063,1024 9.414,1025 36.849,1026 17.41,1027 2.253,1028 6.958,1029 30.582,1030 3.307,1031 18.965,1032 22.513,1033 10.051,1034 39.477,1035 18.616,1036 35346,1037 52660,1038 33.572,1039 59.455,1040 73.412,1041 74.168,1042 74.177,1043 72.689,1044 72.726,1045 90.153,1046 10.302,1047 206.494,1048 69.727,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.972,1059 1.498,1060 1.514,1061 1.514,1062 1.483,1063 1.484,1064 1.84,1065 0.21,1066 4.214,1067 1.423,1068 4.102,1069 4.115,1070 4.339,1071 4.118,1072 7.433,1073 4.067,1074 3.976,1075 4.016,1076 4.218,1077 3.927,1078 7.424,1079 3.885,1080 3.907,1081 3.953,1082 3.89,1083 3.876,1084 4.85,1085 3.831,1086 3.889,1087 3.928,1088 3.804,1089 3.788,1090 4.754,1091 3.784,1092 3.781,1093 3.821,1094 3.717,1095 3.643,1096 4.675,1097 3.639,1098 3.637,1099 3.7,1100 3.562,1101 3.491,1102 4.373,1103 3.484,1104 3.537,1105 3.566,1106 3.506,1107 3.469,1108 4.318,1109 3.439,1110 3.373,1111 3.446,1112 3.243,1113 3.173,1114 4.188,1115 3.173,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.589,1122 0.091,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.052,1138 1.395,1139 2.061,1140 1.933,1141 1.901,1142 2.033,1143 2.009,1144 1.298,1145 2.017,1146 1.816,1147 1.751,1148 2.011,1149 1.995,1150 1.211,1151 2.015,1152 1.733,1153 1.695,1154 1.897,1155 1.913,1156 1.199,1157 1.906,1158 1.641,1159 1.593,1160 1.86,1161 1.807,1162 1.188,1163 1.825,1164 1.577,1165 1.507,1166 1.83,1167 1.751,1168 1.111,1169 1.793,1170 1.515,1171 1.486,1172 1.696,1173 1.652,1174 0.929,1175 1.67,1176 1.476,1177 1.45,1178 1.608,1179 1.584,1180 0.825,1181 1.6,1182 4.595,1183 5.916,1184 3.434,1185 7.414,1186 5.687,1187 8.994,1188 7.695,1189 10.618,1191 2.066,1197 12.472,1198 6.661,1201 0.02,1202 5.119,1203 -0.85,1206 54.425,1207 130.098,1208 301.031,1209 421.873,1210 492.165,1211 505.675,1212 505.675,1213 90.915,1214 8.241,1215 64.68,1216 121.16,1217 33,1218 12.96,1219 4.585,1220 3.755,1221 65.981,1222 247,1223 290,1224 0.12,1225 336.965,1226 583.16,1227 813.953,1228 49532,1230 30.357,1231 0.69,1232 0.622,1233 31.064,1234 27.358,1235 21.454,1236 0.438,1237 0.363,1238 16.127,1239 20.041,1240 15.571,1241 12.846,1242 22.317,1243 17.801,1244 19.367,1245 0.285,1246 0.216,1247 20.619,1248 14.711,1249 16.202,1250 0.184,1251 0.127,1252 17.656,1253 11.213,1254 13.429,1255 0.119,1256 0.075,1257 14.94,1258 8.522,1259 10.225,1260 0.077,1261 0.042,1262 11.307,1263 5.565,1264 0.193,1265 140.518,1266 0.173,1267 39.311,1268 0.317,1269 234,1270 541.148,1271 294.938,1272 574.093,1273 788.56,1274 540,1275 273,1276 543.866,1277 328.48,1278 586.63,1279 858.12,1280 553,1281 7.7}
{0 CHEMBL1083874,1 1.478,2 16.614,3 7.126,4 50.784,5 185.179,6 7.147,7 0.429,8 4.546,9 4.671,10 4.139,11 4.162,12 5.492,13 4.081,14 5.139,15 5.325,16 4.508,17 4.597,18 6.025,19 4.483,20 5.45,21 5.683,22 4.515,23 4.718,24 6.294,25 4.569,26 5.564,27 5.83,28 4.475,29 4.711,30 6.402,31 4.552,32 5.517,33 5.767,34 4.518,35 4.707,36 6.479,37 4.558,38 5.522,39 5.753,40 4.567,41 4.772,42 6.409,43 4.612,44 5.595,45 5.851,46 4.493,47 4.782,48 6.422,49 4.619,50 5.585,51 5.839,52 4.512,53 4.79,54 6.437,55 4.639,56 0.08,57 1.269,58 20.954,59 9.089,60 10.366,61 12.066,62 0.353,63 2.209,64 41.649,65 15.958,66 31.519,67 21.328,68 0.546,69 2.829,70 58.764,71 21.142,72 50.151,73 28.771,74 0.569,75 2.987,76 67.608,77 23.547,78 61.969,79 31.767,80 0.776,81 2.849,82 65.036,83 22.827,84 110.975,85 29.943,86 0.552,87 2.972,88 68.333,89 24.023,90 72.674,91 31.014,92 0.599,93 3.119,94 71.51,95 25.346,96 69.48,97 33.792,98 0.585,99 3.06,100 64.342,101 24.091,102 72.275,103 33.005,104 10,105 68,106 0.22,107 0.509,108 0.718,109 0.832,110 0.855,111 0.855,112 3.81,113 1.093,114 -5.47,115 -5.35,116 -4.99,119 40.9,120 1,121 7,125 6,126 1,127 1,132 10,133 4,140 2,141 2,144 2,155 18,158 2,160 2,162 4,163 24,165 1,166 6,168 1,169 1,170 8,173 14,176 8,181 5,183 8,185 1,186 9,189 2,191 6,193 13,196 9,200 7,203 17,205 1,206 9,211 4,214 16,218 10,221 2,223 4,224 22,227 8,231 3,234 20,238 5064,239 30.109,240 30.109,241 30.109,242 30.109,243 30.109,244 27.367,245 30.932,246 17.944,247 30.77,248 24.231,249 24.231,250 24.231,251 24.231,252 24.231,253 20.117,254 38.11,255 8.586,256 25.284,257 4.981,258 3.038,259 1.633,260 0.867,261 0.713,262 0.713,263 4.52,268 1619,269 4.796,271 433.512,272 521.626,274 236.067,277 2.579,278 35.463,280 0.5,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.6,288 92,289 731,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.961,309 3.063,310 5.817,311 3.674,312 2.733,313 3.49,314 0.916,315 7.881,316 2.634,317 3.937,318 2.957,319 5.622,320 3.648,321 2.665,322 3.455,323 0.8,324 7.798,325 2.563,326 3.886,327 2.881,328 5.603,329 3.503,330 2.512,331 3.307,332 0.248,333 7.73,334 2.475,335 3.611,336 2.76,337 5.335,338 3.423,339 2.483,340 2.815,341 0.172,342 6.958,343 2.33,344 3.487,345 2.7,346 5.143,347 3.231,348 2.253,349 2.638,351 6.292,352 2.198,353 3.409,354 2.363,355 4.962,356 3.076,357 2.083,358 2.48,360 5.885,361 2.069,362 3.158,363 2.356,364 4.957,365 2.988,366 2.071,367 2.289,369 5.787,370 1.891,371 3.03,372 2.252,373 4.709,374 2.688,375 1.671,376 2.186,378 4.325,379 1.688,380 2.964,381 1.646,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.432,389 2.804,390 1.523,391 4.176,392 2.434,393 1.437,394 1.842,396 3.381,397 1.405,398 2.643,399 1.5,400 3.618,401 2.275,402 1.306,403 1.622,405 3.06,406 1.254,407 2.559,408 1.418,409 3.607,410 2.094,411 1.188,412 1.578,414 2.636,415 1.071,416 2.5,417 1.34,418 3.533,419 2,420 1.069,421 1.5,423 2.48,424 1,425 21.933,426 0.498,427 0.976,428 0.022,429 48.5,430 1.102,431 21,432 0.477,433 27.5,434 0.625,435 54.157,436 1.231,437 47.667,438 0.542,439 37.775,440 0.859,441 8.657,442 0.197,443 12.797,444 0.291,445 0.053,446 0.023,447 0.242,450 0.738,451 1.218,452 0.811,453 0.969,454 0.545,455 0.98,456 0.847,457 1.09,458 0.951,459 0.964,460 0.518,461 0.989,462 0.993,463 1.105,464 0.971,465 1.047,466 0.863,467 1.092,468 1.306,469 0.984,470 0.883,471 0.897,472 1.355,473 0.919,474 1.476,475 0.882,476 0.931,477 0.846,478 1.627,479 0.884,480 1.356,481 1.133,482 1.148,483 1.127,484 1.409,485 1.074,486 1.134,487 1.04,488 1.019,489 1.019,490 1.14,491 0.99,492 1.193,493 0.91,494 0.796,495 0.83,496 1.268,497 0.944,498 9.5,499 0.253,500 4.222,501 2.639,502 2.432,503 1.073,504 1.076,505 0.724,506 0.54,507 0.401,508 38588,509 85328,510 2.145,511 50,512 7,513 23,514 2,516 2,518 10,520 1.825,521 2.054,522 3.957,523 0.058,527 130.098,528 1.478,529 3.422,530 4.826,531 5.593,532 5.746,533 5.746,534 3.479,535 4.897,536 5.426,537 4.195,538 3968.09,539 9.629,540 76703.9,544 568.43,545 1.285,546 5.408,547 0.194,548 0.004,549 0.062,550 0.041,551 0.039,552 0.017,553 0.016,554 0.011,555 0.008,556 0.006,557 0.398,558 0.17,559 0.5,560 0.388,561 258.243,562 0.001,563 -0.059,564 0.08,565 0.043,566 -0.001,567 0.04,568 0.056,569 0.034,570 0.008,571 0.028,572 0.075,574 0.041,575 -0.066,576 -0.062,577 -0.117,578 0.006,579 -0.126,580 -0.044,581 -0.016,582 0.035,583 0.012,584 -0.043,585 0.034,586 0.026,587 0.098,588 0.029,589 0.087,590 0.08,591 0.066,592 -0.09,593 -0.113,594 -0.09,595 -0.109,596 -0.055,597 -0.094,598 -0.013,599 -0.059,600 -0.053,601 -0.061,602 0.002,603 -0.017,604 -0.046,605 0.052,606 0.009,607 0.033,608 -0.049,609 0.012,610 2.1,611 7.045,612 0.705,613 64.012,614 0.987,615 1.12,616 4.239,617 17.972,618 0.676,619 3.912,620 4.234,621 4.489,622 4.736,623 4.89,624 4.934,625 5.043,626 5.187,627 5.22,628 5.288,629 9.735,630 0.618,631 628.98,632 3.912,633 5.46,634 6.304,635 7.179,636 8.039,637 8.917,638 9.786,639 10.667,640 11.541,641 12.424,642 4.5,645 2,648 2,653 2,654 12,658 2,659 4,661 21,662 1,670 88,672 23,673 2,674 49,676 93,677 36,678 18,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 20,697 16,698 1,699 2,703 2,707 2,713 44,714 6,715 2,716 8,717 2,720 4,721 0.833,722 2,732 3,733 3,735 1,742 1,749 2,753 5,755 2,757 1,761 44,766 13,767 2,770 1,771 2,772 1,774 2,778 2.3,781 2,785 21.417,786 15.65,787 9.597,788 5.669,789 2.41,790 1.292,791 0.99,792 10.585,793 10.651,794 4.135,795 4.673,796 5.179,797 5.696,798 6.082,799 6.292,800 6.582,801 6.939,802 6.886,803 6.968,804 1,805 64,806 16.496,807 7.132,808 7.502,809 32.676,810 28.056,811 2.002,812 88.083,815 494.386,816 235.46,817 42.27,819 50.29,821 62.555,822 172.905,823 544.676,824 42.27,825 8.825,826 66.397,827 110.061,828 59.699,829 18.378,830 25.646,831 533.399,833 494.386,834 215.175,835 50.29,836 62.555,838 376.675,839 168.001,841 81.471,842 133.704,844 62.555,845 494.386,846 92.56,847 235.46,850 494.386,851 116.575,852 125.134,853 36.022,854 50.29,855 494.386,856 92.56,857 235.46,859 0.579,860 0.335,861 0.18,862 0.093,863 32,864 13,865 0.129,866 12,867 1,868 1.065,869 5.438,870 449.84,871 0.065,872 31,873 228.215,874 2,878 31.537,879 14.767,880 8.243,881 2.175,882 92.56,883 25.288,887 3.273,888 4.489,890 36.022,891 822.407,892 61.5,896 27.557,900 -0.165,902 86.887,903 98.556,904 0.229,905 0.53,906 0.747,907 0.866,908 0.89,909 0.89,910 5.386,911 2.083,912 6.29,913 6.292,914 4.92,915 5.361,916 2.509,917 7.101,918 4.843,919 6.562,920 2.071,921 7.848,922 5.885,923 4.511,924 5.085,925 1.738,926 8.22,927 4.415,928 7.858,929 1.671,930 9.519,931 5.787,932 6.541,933 7.464,934 3.201,935 11.286,936 6.399,937 9.188,938 1.53,939 11.266,940 4.325,941 7.013,942 8.063,943 3.149,944 13.386,945 6.852,946 10.556,947 1.437,948 13.071,949 4.266,950 8.494,951 9.901,952 4.265,953 16.074,954 8.298,955 11.949,956 1.306,957 14.921,958 3.381,959 9.37,960 10.921,961 4.566,962 18.536,963 9.157,964 13.362,965 1.188,966 16.807,967 3.06,968 10.658,969 12.542,970 5.487,971 21.16,972 10.42,973 3.502,974 1.069,975 18.722,976 2.636,977 11.724,978 13.781,979 5.962,980 23.737,981 11.471,982 3.048,983 13.894,984 20.662,985 2.48,986 12.953,987 15.312,988 6.773,989 26.359,990 12.681,991 2.733,992 9.799,993 22.621,994 4.454,995 14.108,996 16.666,997 7.337,998 28.971,999 13.821,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.326,1005 18.162,1006 8.087,1007 31.597,1008 15.024,1009 2.512,1010 7.798,1011 26.582,1012 3.49,1013 16.524,1014 19.578,1015 8.698,1016 34.221,1017 16.207,1018 2.483,1019 7.73,1020 28.578,1021 3.455,1022 17.746,1023 21.063,1024 9.414,1025 36.849,1026 17.416,1027 2.253,1028 6.958,1029 30.582,1030 3.307,1031 18.965,1032 22.513,1033 10.051,1034 39.477,1035 18.621,1036 35346,1037 52774,1038 33.572,1039 59.455,1040 73.412,1041 74.168,1042 74.177,1043 72.662,1044 72.726,1045 90.153,1046 10.302,1047 206.494,1048 69.812,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.972,1059 1.498,1060 1.514,1061 1.514,1062 1.483,1063 1.484,1064 1.84,1065 0.21,1066 4.214,1067 1.425,1068 4.102,1069 4.116,1070 4.339,1071 4.118,1072 7.433,1073 4.067,1074 3.977,1075 4.017,1076 4.205,1077 3.923,1078 7.424,1079 3.885,1080 3.91,1081 3.956,1082 3.89,1083 3.875,1084 4.85,1085 3.833,1086 3.889,1087 3.928,1088 3.804,1089 3.788,1090 4.754,1091 3.785,1092 3.78,1093 3.821,1094 3.725,1095 3.645,1096 4.672,1097 3.638,1098 3.636,1099 3.698,1100 3.562,1101 3.492,1102 4.37,1103 3.483,1104 3.537,1105 3.566,1106 3.51,1107 3.469,1108 4.317,1109 3.439,1110 3.37,1111 3.442,1112 3.257,1113 3.174,1114 4.188,1115 3.172,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.589,1122 0.091,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.053,1138 1.395,1139 2.062,1140 1.933,1141 1.901,1142 2.033,1143 2.011,1144 1.299,1145 2.019,1146 1.82,1147 1.754,1148 2.014,1149 1.995,1150 1.211,1151 2.015,1152 1.735,1153 1.696,1154 1.901,1155 1.913,1156 1.199,1157 1.907,1158 1.648,1159 1.6,1160 1.86,1161 1.812,1162 1.188,1163 1.828,1164 1.577,1165 1.507,1166 1.832,1167 1.751,1168 1.112,1169 1.793,1170 1.531,1171 1.495,1172 1.716,1173 1.675,1174 0.948,1175 1.69,1176 1.475,1177 1.453,1178 1.608,1179 1.582,1180 0.825,1181 1.598,1182 4.595,1183 5.916,1184 3.434,1185 7.414,1186 5.687,1187 8.994,1188 7.695,1189 10.618,1191 2.066,1197 12.456,1198 6.661,1201 0.02,1202 5.114,1203 -0.85,1206 54.425,1207 130.098,1208 301.11,1209 424.707,1210 492.165,1211 505.675,1212 505.675,1213 90.899,1214 8.241,1215 64.68,1216 121.16,1217 33,1218 12.96,1219 4.585,1220 3.755,1221 65.981,1222 247,1223 290,1224 0.12,1225 336.965,1226 583.16,1227 813.953,1228 49532,1230 30.357,1231 0.69,1232 0.622,1233 31.064,1234 27.358,1235 21.454,1236 0.438,1237 0.364,1238 16.12,1239 20.043,1240 15.55,1241 12.837,1242 22.363,1243 17.851,1244 19.367,1245 0.285,1246 0.213,1247 20.507,1248 14.511,1249 16.202,1250 0.184,1251 0.126,1252 17.572,1253 11.111,1254 13.429,1255 0.119,1256 0.075,1257 14.894,1258 8.453,1259 10.225,1260 0.077,1261 0.042,1262 11.265,1263 5.497,1264 0.193,1265 140.977,1266 0.173,1267 39.311,1268 0.317,1269 234,1270 541.148,1271 291.597,1272 574.531,1273 787.3,1274 540,1275 273,1276 542.523,1277 326.532,1278 584.943,1279 854.25,1280 550,1281 8.2}
{0 CHEMBL1083875,1 1.47,2 16.614,3 6.568,4 43.14,5 178.736,6 6.965,7 0.429,8 4.552,9 4.677,10 4.095,11 4.124,12 5.519,13 4.065,14 5.145,15 5.331,16 4.476,17 4.563,18 6.047,19 4.47,20 5.452,21 5.685,22 4.499,23 4.703,24 6.302,25 4.563,26 5.567,27 5.833,28 4.455,29 4.696,30 6.413,31 4.545,32 5.519,33 5.769,34 4.488,35 4.686,36 6.487,37 4.548,38 5.528,39 5.759,40 4.534,41 4.736,42 6.428,43 4.598,44 5.599,45 5.856,46 4.471,47 4.761,48 6.438,49 4.611,50 5.585,51 5.84,52 4.497,53 4.78,54 6.441,55 4.634,56 0.071,57 1.265,58 20.637,59 8.855,60 11.792,61 11.886,62 0.368,63 2.173,64 40.052,65 15.2,66 34.4,67 20.833,68 0.549,69 2.786,70 57.997,71 20.515,72 52.404,73 28.514,74 0.638,75 2.906,76 65.293,77 22.556,78 67.209,79 31.314,80 0.785,81 2.787,82 63.891,83 21.935,84 113.304,85 29.582,86 0.602,87 2.881,88 64.769,89 22.327,90 78.018,91 30.049,92 0.691,93 3.024,94 67.817,95 23.951,96 75.841,97 33.028,98 0.589,99 3.016,100 63.831,101 23.528,102 74.725,103 32.833,104 10,105 68,106 0.219,107 0.512,108 0.718,109 0.832,110 0.855,111 0.855,112 3.81,113 1.035,114 -4.71,115 -4.63,116 -4.35,119 40.9,120 1,121 7,125 6,126 1,127 1,132 10,133 4,140 2,141 2,144 2,155 18,158 4,160 2,162 4,163 22,165 1,166 6,168 1,169 1,170 8,173 14,175 1,176 7,181 5,183 8,185 1,186 9,189 2,191 6,193 13,196 9,200 7,203 17,205 2,206 8,211 4,214 16,218 10,221 2,223 4,224 22,227 9,231 3,234 19,238 5064,239 30.109,240 30.109,241 30.109,242 30.109,243 30.109,244 27.367,245 30.932,246 17.944,247 30.56,248 24.231,249 24.231,250 24.231,251 24.231,252 24.231,253 20.117,254 38.11,255 8.586,256 24.978,257 4.99,258 3.015,259 1.633,260 0.867,261 0.713,262 0.713,263 4.52,267 1,268 1619,269 4.796,271 433.512,272 521.626,274 236.067,277 2.579,278 37.395,280 0.75,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.64,288 93,289 731,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.961,309 3.063,310 5.817,311 3.683,312 2.733,313 3.49,314 0.916,315 7.881,316 2.635,317 3.937,318 2.957,319 5.622,320 3.651,321 2.665,322 3.455,323 0.8,324 7.798,325 2.608,326 3.886,327 2.881,328 5.603,329 3.503,330 2.512,331 3.307,332 0.248,333 7.73,334 2.475,335 3.611,336 2.76,337 5.335,338 3.441,339 2.483,340 2.815,341 0.172,342 6.958,343 2.363,344 3.487,345 2.7,346 5.143,347 3.233,348 2.253,349 2.638,351 6.292,352 2.202,353 3.409,354 2.363,355 4.962,356 3.076,357 2.083,358 2.48,360 5.885,361 2.069,362 3.158,363 2.356,364 4.957,365 3.006,366 2.071,367 2.289,369 5.787,370 1.923,371 3.03,372 2.252,373 4.709,374 2.688,375 1.671,376 2.186,378 4.325,379 1.689,380 2.964,381 1.646,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.433,389 2.804,390 1.523,391 4.176,392 2.435,393 1.437,394 1.842,396 3.381,397 1.405,398 2.643,399 1.5,400 3.618,401 2.277,402 1.306,403 1.622,405 3.06,406 1.259,407 2.559,408 1.418,409 3.607,410 2.179,411 1.188,412 1.578,414 2.636,415 1.174,416 2.5,417 1.34,418 3.533,419 2.048,420 1.069,421 1.5,423 2.48,424 1.036,425 21.433,426 0.487,427 0.976,428 0.022,429 49,430 1.114,431 21,432 0.477,433 28,434 0.636,435 52.63,436 1.196,437 48.167,438 0.547,439 39.301,440 0.893,441 9.045,442 0.206,443 12.409,444 0.282,445 0.054,446 0.023,447 0.247,450 0.766,451 1.29,452 0.834,453 1.057,454 0.544,455 1.012,456 0.896,457 1.103,458 0.935,459 0.964,460 0.546,461 0.989,462 0.882,463 1.132,464 1.062,465 1.12,466 0.843,467 1.113,468 1.142,469 0.969,470 0.935,471 0.912,472 1.318,473 0.924,474 1.261,475 0.923,476 1.036,477 0.93,478 1.567,479 0.911,480 1.321,481 1.127,482 1.143,483 1.113,484 1.406,485 1.066,486 1.072,487 1.003,488 1.029,489 0.991,490 1.134,491 0.978,492 0.998,493 0.945,494 0.901,495 0.915,496 1.215,497 0.971,498 9.5,499 0.253,500 4.222,501 2.639,502 2.432,503 1.073,504 1.076,505 0.724,506 0.54,507 0.401,508 38588,509 85328,510 2.145,511 50,512 7,513 23,514 2,516 2,518 10,520 1.825,521 2.054,522 3.957,523 0.058,527 129.343,528 1.47,529 3.444,530 4.826,531 5.593,532 5.746,533 5.746,534 3.479,535 4.897,536 5.426,537 4.195,538 3968.09,539 9.629,540 76703.9,544 568.43,545 1.285,546 5.408,547 0.194,548 0.004,549 0.062,550 0.041,551 0.039,552 0.017,553 0.016,554 0.011,555 0.008,556 0.006,557 0.398,558 0.17,559 0.63,560 0.388,561 258.243,562 -0.003,563 -0.097,564 0.076,565 0.006,566 0.014,567 0.027,568 0.019,569 0.038,570 0.03,571 0.048,572 0.066,573 0.007,574 0.023,575 -0.069,576 -0.065,577 -0.125,578 0.001,579 -0.128,580 -0.027,581 0.009,582 0.045,583 0.034,584 -0.045,585 0.04,586 0.018,587 0.073,588 0.018,589 0.059,590 0.073,591 0.056,592 -0.105,593 -0.105,594 -0.076,595 -0.093,596 -0.07,597 -0.086,598 -0.014,599 -0.018,600 -0.038,601 -0.018,602 -0.008,603 -0.001,604 -0.037,605 0.041,606 0.001,607 0.019,608 -0.048,609 0.007,610 2.108,611 7.038,612 0.705,613 64.012,614 0.99,615 1.123,616 3.48,617 12.112,618 0.662,619 3.912,620 4.234,621 4.489,622 4.736,623 4.89,624 4.934,625 5.043,626 5.187,627 5.22,628 5.288,629 9.735,630 0.613,631 612.91,632 3.912,633 5.46,634 6.304,635 7.179,636 8.039,637 8.917,638 9.786,639 10.667,640 11.541,641 12.424,642 4.5,645 2,648 2,653 2,654 12,657 1,658 1,659 4,661 21,662 1,670 88,672 23,673 2,674 49,676 93,677 36,678 18,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 20,697 16,698 1,699 2,703 2,707 2,712 1,713 44,714 7,715 2,716 8,717 1,720 4,721 0.833,722 3,732 3,733 3,735 1,742 1,749 2,753 5,755 1,757 1,761 44,766 13,767 2,770 1,771 2,772 1,774 1,778 3.4,781 2,783 1,785 21.417,786 15.65,787 9.597,788 5.669,789 2.41,790 1.292,791 0.985,792 10.277,793 10.651,794 4.135,795 4.673,796 5.179,797 5.696,798 6.082,799 6.292,800 6.582,801 6.939,802 6.886,803 6.968,804 1,805 64,806 16.477,807 7.122,808 7.54,809 32.472,810 27.767,811 2.04,812 89.75,815 494.386,816 212.363,817 42.27,819 59.797,821 31.278,822 181.086,823 554.183,824 42.27,825 8.825,826 66.397,827 118.241,828 59.699,829 27.886,830 25.646,831 502.122,833 494.386,834 223.356,835 59.797,836 31.278,838 376.675,839 177.508,841 81.471,842 141.885,844 31.278,845 494.386,846 102.067,847 212.363,850 494.386,851 85.297,852 133.315,853 36.022,854 59.797,855 494.386,856 102.067,857 212.363,859 0.579,860 0.335,861 0.18,862 0.093,863 32,864 13,865 0.129,866 12,867 1,868 1.065,869 5.438,870 449.84,871 0.065,872 31,873 228.215,874 1,878 31.164,879 14.511,880 8.073,881 2.167,882 102.067,883 24.221,886 5.228,887 1.499,888 4.286,890 36.022,891 808.817,892 61.5,896 27.544,900 -0.179,902 87.138,903 98.845,904 0.228,905 0.533,906 0.747,907 0.866,908 0.89,909 0.89,910 5.386,911 2.083,912 6.29,913 6.292,914 4.92,915 5.361,916 2.509,917 7.101,918 4.86,919 6.562,920 2.071,921 7.848,922 5.885,923 4.511,924 5.085,925 1.738,926 8.22,927 4.415,928 7.858,929 1.671,930 9.519,931 5.787,932 6.541,933 7.464,934 3.201,935 11.286,936 6.42,937 9.188,938 1.53,939 11.266,940 4.325,941 7.013,942 8.063,943 3.149,944 13.386,945 6.86,946 10.556,947 1.437,948 13.071,949 4.266,950 8.494,951 9.901,952 4.265,953 16.074,954 8.317,955 11.949,956 1.306,957 14.921,958 3.381,959 9.37,960 10.921,961 4.566,962 18.536,963 9.169,964 13.362,965 1.188,966 16.807,967 3.06,968 10.658,969 12.542,970 5.487,971 21.16,972 10.435,973 3.502,974 1.069,975 18.722,976 2.636,977 11.724,978 13.781,979 5.962,980 23.737,981 11.481,982 3.048,983 13.894,984 20.662,985 2.48,986 12.953,987 15.312,988 6.773,989 26.359,990 12.691,991 2.733,992 9.799,993 22.621,994 4.454,995 14.108,996 16.666,997 7.337,998 28.971,999 13.829,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.326,1005 18.162,1006 8.087,1007 31.597,1008 15.031,1009 2.512,1010 7.798,1011 26.582,1012 3.49,1013 16.524,1014 19.578,1015 8.698,1016 34.221,1017 16.213,1018 2.483,1019 7.73,1020 28.578,1021 3.455,1022 17.746,1023 21.063,1024 9.414,1025 36.849,1026 17.421,1027 2.253,1028 6.958,1029 30.582,1030 3.307,1031 18.965,1032 22.513,1033 10.051,1034 39.477,1035 18.625,1036 35346,1037 52774,1038 33.572,1039 58.262,1040 73.412,1041 74.168,1042 74.177,1043 72.775,1044 72.726,1045 90.153,1046 10.302,1047 206.494,1048 70.619,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.972,1059 1.498,1060 1.514,1061 1.514,1062 1.485,1063 1.484,1064 1.84,1065 0.21,1066 4.214,1067 1.441,1068 4.103,1069 4.116,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.98,1075 4.019,1076 3.907,1077 3.888,1078 7.424,1079 3.881,1080 3.924,1081 3.963,1082 3.852,1083 3.793,1084 5.089,1085 3.796,1086 3.89,1087 3.929,1088 3.804,1089 3.772,1090 4.848,1091 3.78,1092 3.794,1093 3.841,1094 3.687,1095 3.622,1096 4.752,1097 3.627,1098 3.638,1099 3.702,1100 3.562,1101 3.482,1102 4.388,1103 3.48,1104 3.537,1105 3.566,1106 3.502,1107 3.468,1108 4.321,1109 3.439,1110 3.372,1111 3.445,1112 3.239,1113 3.167,1114 4.188,1115 3.169,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.589,1122 0.091,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.054,1138 1.395,1139 2.062,1140 1.933,1141 1.901,1142 2.033,1143 2.012,1144 1.299,1145 2.019,1146 1.82,1147 1.754,1148 2.014,1149 1.995,1150 1.211,1151 2.015,1152 1.735,1153 1.696,1154 1.901,1155 1.913,1156 1.199,1157 1.907,1158 1.648,1159 1.6,1160 1.86,1161 1.812,1162 1.188,1163 1.828,1164 1.577,1165 1.507,1166 1.832,1167 1.751,1168 1.112,1169 1.793,1170 1.531,1171 1.495,1172 1.716,1173 1.677,1174 0.946,1175 1.691,1176 1.475,1177 1.453,1178 1.608,1179 1.582,1180 0.825,1181 1.598,1182 4.595,1183 5.916,1184 3.434,1185 7.414,1186 5.687,1187 8.994,1188 7.695,1189 10.618,1191 2.062,1197 12.106,1198 6.644,1201 0.008,1202 5.021,1203 -0.858,1206 53.953,1207 129.343,1208 303.11,1209 424.707,1210 492.165,1211 505.675,1212 505.675,1213 91.452,1214 8.241,1215 77.82,1216 106.06,1217 33,1218 12.96,1219 4.585,1220 3.755,1221 65.981,1222 247,1223 290,1224 0.12,1225 329.83,1226 573.44,1227 796.545,1228 49532,1230 30.357,1231 0.69,1232 0.603,1233 30.711,1234 26.542,1235 21.454,1236 0.438,1237 0.345,1238 16.005,1239 20.402,1240 15.55,1241 12.837,1242 21.863,1243 16.908,1244 19.367,1245 0.285,1246 0.202,1247 20.009,1248 13.731,1249 16.202,1250 0.184,1251 0.118,1252 17.039,1253 10.379,1254 13.429,1255 0.119,1256 0.069,1257 14.33,1258 7.793,1259 10.225,1260 0.077,1261 0.039,1262 10.996,1263 5.195,1264 0.193,1265 136.977,1266 0.173,1267 39.311,1268 0.317,1269 234,1270 570.023,1271 275.534,1272 574.531,1273 787.3,1274 540,1275 273,1276 557.921,1277 314.489,1278 584.943,1279 854.25,1280 550,1281 8.2}
{0 CHEMBL1083876,1 1.491,2 16.614,3 5.78,4 33.408,5 178.805,6 6.965,7 0.429,8 4.553,9 4.687,10 4.096,11 4.115,12 5.52,13 4.057,14 5.145,15 5.339,16 4.478,17 4.556,18 6.051,19 4.463,20 5.453,21 5.691,22 4.499,23 4.697,24 6.306,25 4.558,26 5.555,27 5.822,28 4.456,29 4.688,30 6.405,31 4.539,32 5.525,33 5.782,34 4.488,35 4.674,36 6.494,37 4.539,38 5.513,39 5.748,40 4.532,41 4.729,42 6.42,43 4.592,44 5.6,45 5.861,46 4.47,47 4.765,48 6.432,49 4.612,50 5.6,51 5.861,52 4.498,53 4.779,54 6.451,55 4.633,56 0.079,57 1.327,58 20.72,59 8.488,60 11.718,61 11.723,62 0.387,63 2.239,64 40.068,65 14.714,66 34.907,67 20.673,68 0.592,69 2.787,70 58.228,71 20.098,72 54.251,73 28.281,74 0.581,75 2.863,76 64.352,77 22.012,78 64.679,79 30.863,80 0.827,81 2.789,82 64.588,83 21.177,84 116.154,85 29.113,86 0.615,87 2.886,88 63.746,89 21.301,90 77.377,91 29.316,92 0.624,93 3.027,94 67.587,95 23.751,96 73.073,97 33.208,98 0.622,99 3.026,100 65.062,101 23.368,102 77.086,103 32.99,104 10,105 68,106 0.222,107 0.532,108 0.729,109 0.832,110 0.855,111 0.855,112 3.81,113 1.033,114 -4.59,115 -4.52,116 -4.25,119 39.8,120 1,121 7,125 6,126 1,127 1,132 9,133 3,136 1,140 1,141 2,144 2,146 1,155 17,158 1,160 3,162 4,163 22,165 2,166 5,168 1,169 1,170 8,173 14,176 7,179 1,181 5,183 8,185 1,186 8,189 2,191 6,193 13,195 1,196 8,200 7,203 17,205 1,206 8,209 1,211 4,214 15,218 11,221 2,223 4,224 20,227 9,231 4,234 18,238 5064,239 30.109,240 30.109,241 30.109,242 30.109,243 30.109,244 27.367,245 30.932,246 17.944,247 30.695,248 24.231,249 24.231,250 24.231,251 24.231,252 24.231,253 20.117,254 38.11,255 8.586,256 25.183,257 4.969,258 2.883,259 1.557,260 0.867,261 0.713,262 0.713,263 4.52,267 1,268 1619,269 4.796,271 433.512,272 521.626,274 236.067,277 2.579,278 37.603,280 0.75,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.64,288 93,289 731,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.961,309 3.063,310 5.817,311 3.671,312 2.733,313 3.49,314 0.916,315 7.881,316 2.634,317 3.937,318 2.957,319 5.622,320 3.647,321 2.665,322 3.455,323 0.8,324 7.798,325 2.545,326 3.886,327 2.881,328 5.603,329 3.503,330 2.512,331 3.307,332 0.248,333 7.73,334 2.475,335 3.611,336 2.76,337 5.335,338 3.419,339 2.483,340 2.815,341 0.172,342 6.958,343 2.322,344 3.487,345 2.7,346 5.143,347 3.231,348 2.253,349 2.638,351 6.292,352 2.198,353 3.409,354 2.363,355 4.962,356 3.076,357 2.083,358 2.48,360 5.885,361 2.069,362 3.158,363 2.356,364 4.957,365 2.991,366 2.071,367 2.289,369 5.787,370 1.899,371 3.03,372 2.252,373 4.709,374 2.688,375 1.671,376 2.186,378 4.325,379 1.689,380 2.964,381 1.646,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.433,389 2.804,390 1.523,391 4.176,392 2.434,393 1.437,394 1.842,396 3.381,397 1.405,398 2.643,399 1.5,400 3.618,401 2.276,402 1.306,403 1.622,405 3.06,406 1.255,407 2.559,408 1.418,409 3.607,410 2.128,411 1.188,412 1.578,414 2.636,415 1.112,416 2.5,417 1.34,418 3.533,419 2.031,420 1.069,421 1.5,423 2.48,424 1.019,425 21.4,426 0.486,427 0.976,428 0.022,429 49.5,430 1.125,431 21,432 0.477,433 28.5,434 0.648,435 52.422,436 1.191,437 48.2,438 0.548,439 39.51,440 0.898,441 9.094,442 0.207,443 12.361,444 0.281,445 0.055,446 0.023,447 0.248,450 0.788,451 1.346,452 0.84,453 1.057,454 0.551,455 1.013,456 0.847,457 1.104,458 0.931,459 0.97,460 0.533,461 0.995,462 0.95,463 1.066,464 1.062,465 1.106,466 0.863,467 1.1,468 1.209,469 0.984,470 0.941,471 0.952,472 1.336,473 0.952,474 1.429,475 0.896,476 1.039,477 0.902,478 1.603,479 0.886,480 1.347,481 1.091,482 1.161,483 1.12,484 1.427,485 1.077,486 1.047,487 0.996,488 1.021,489 1.024,490 1.111,491 1,492 1.114,493 0.905,494 0.896,495 0.9,496 1.224,497 0.955,498 9.5,499 0.253,500 4.222,501 2.639,502 2.432,503 1.073,504 1.076,505 0.724,506 0.54,507 0.401,508 38588,509 85080,510 2.145,511 50,512 7,513 22,514 1,515 1,516 3,518 10,520 1.825,521 2.054,522 3.957,523 0.673,527 131.18,528 1.491,529 3.577,530 4.902,531 5.593,532 5.746,533 5.746,534 3.479,535 4.897,536 5.426,537 4.195,538 3968.09,539 9.629,540 76703.9,544 568.43,545 1.285,546 5.408,547 0.194,548 0.004,549 0.062,550 0.041,551 0.039,552 0.017,553 0.016,554 0.011,555 0.008,556 0.006,557 0.398,558 0.17,559 0.63,560 0.388,561 258.243,562 -0.017,563 -0.12,564 0.073,565 0.01,566 0.007,567 0.028,568 0.058,569 0.049,570 0.034,571 0.046,572 0.074,573 0.005,574 0.035,575 -0.016,576 -0.06,577 -0.103,579 -0.112,580 -0.035,581 -0.025,582 0.039,583 0.007,584 -0.046,585 0.02,586 -0.003,587 0.083,588 0.022,589 0.086,590 0.065,591 0.077,592 -0.107,593 -0.06,594 -0.092,595 -0.093,596 -0.075,597 -0.094,598 -0.008,599 -0.028,600 -0.035,601 -0.038,602 -0.001,603 -0.012,604 -0.049,605 0.055,606 0.011,607 0.04,608 -0.049,609 0.026,610 2.108,611 7.037,612 0.705,613 64.012,614 0.99,615 1.127,616 3.365,617 11.322,618 0.66,619 3.912,620 4.234,621 4.489,622 4.736,623 4.89,624 4.934,625 5.043,626 5.187,627 5.22,628 5.288,629 9.735,630 0.611,631 612.92,632 3.912,633 5.46,634 6.304,635 7.179,636 8.039,637 8.917,638 9.786,639 10.667,640 11.541,641 12.424,642 6.8,645 2,648 2,649 1,651 1,653 2,654 11,655 1,656 1,658 1,659 4,661 21,662 1,670 88,672 23,673 2,674 49,676 93,677 35,678 17,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 19,697 16,698 1,699 2,703 2,707 2,713 44,714 7,715 3,716 9,717 1,719 1,720 6,721 0.833,722 2,732 3,733 3,735 1,742 1,749 2,753 5,755 1,757 1,761 44,766 13,767 2,770 1,771 2,772 1,774 1,778 2.3,781 2,785 21.417,786 15.6,787 9.597,788 5.647,789 2.41,790 1.292,791 0.989,792 10.227,793 10.651,794 4.135,795 4.673,796 5.179,797 5.696,798 6.082,799 6.292,800 6.582,801 6.939,802 6.886,803 6.968,804 1,805 64,806 16.473,807 7.12,808 7.54,809 32.44,810 27.713,811 2.04,812 89.75,815 482.615,816 196.645,817 75.841,819 50.29,821 31.278,822 165.368,823 532.905,824 75.841,825 8.825,826 66.397,827 94.334,828 96.874,829 34.735,830 13.875,831 490.351,833 482.615,834 241.209,835 50.29,836 31.278,838 364.904,839 168.001,841 109.632,842 114.791,843 16.786,844 31.278,845 482.615,846 126.131,847 196.645,850 482.615,851 84.868,852 118.026,853 52.807,854 67.075,855 482.615,856 126.131,857 196.645,859 0.579,860 0.335,861 0.18,862 0.093,863 32,864 13,865 0.129,866 12,867 1,868 1.065,869 5.438,870 449.84,871 0.065,872 31,873 228.215,874 1,878 31.101,879 14.468,880 8.045,881 2.166,882 109.346,883 22.315,884 4.365,885 3.042,887 1.498,888 4.146,890 52.807,891 805.392,892 61.5,896 27.543,900 -0.18,902 87.13,903 99.217,904 0.231,905 0.554,906 0.759,907 0.866,908 0.89,909 0.89,910 5.386,911 2.083,912 6.29,913 6.292,914 4.92,915 5.361,916 2.509,917 7.101,918 4.847,919 6.562,920 2.071,921 7.848,922 5.885,923 4.511,924 5.085,925 1.738,926 8.22,927 4.408,928 7.858,929 1.671,930 9.519,931 5.787,932 6.541,933 7.464,934 3.201,935 11.286,936 6.399,937 9.188,938 1.53,939 11.266,940 4.325,941 7.013,942 8.063,943 3.149,944 13.386,945 6.846,946 10.556,947 1.437,948 13.071,949 4.266,950 8.494,951 9.901,952 4.265,953 16.074,954 8.296,955 11.949,956 1.306,957 14.921,958 3.381,959 9.37,960 10.921,961 4.566,962 18.536,963 9.152,964 13.362,965 1.188,966 16.807,967 3.06,968 10.658,969 12.542,970 5.487,971 21.16,972 10.417,973 3.502,974 1.069,975 18.722,976 2.636,977 11.724,978 13.781,979 5.962,980 23.737,981 11.467,982 3.048,983 13.894,984 20.662,985 2.48,986 12.953,987 15.312,988 6.773,989 26.359,990 12.678,991 2.733,992 9.799,993 22.621,994 4.454,995 14.108,996 16.666,997 7.337,998 28.971,999 13.819,1000 2.665,1001 7.881,1002 24.595,1003 3.689,1004 15.326,1005 18.162,1006 8.087,1007 31.597,1008 15.022,1009 2.512,1010 7.798,1011 26.582,1012 3.49,1013 16.524,1014 19.578,1015 8.698,1016 34.221,1017 16.206,1018 2.483,1019 7.73,1020 28.578,1021 3.455,1022 17.746,1023 21.063,1024 9.414,1025 36.849,1026 17.414,1027 2.253,1028 6.958,1029 30.582,1030 3.307,1031 18.965,1032 22.513,1033 10.051,1034 39.477,1035 18.62,1036 35346,1037 52698,1038 33.572,1039 58.057,1040 73.412,1041 74.168,1042 74.177,1043 72.696,1044 72.726,1045 90.153,1046 10.302,1047 206.494,1048 70.071,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 15.972,1059 1.498,1060 1.514,1061 1.514,1062 1.484,1063 1.484,1064 1.84,1065 0.21,1066 4.214,1067 1.43,1068 4.103,1069 4.118,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.98,1075 4.028,1076 3.907,1077 3.887,1078 7.424,1079 3.88,1080 3.924,1081 3.98,1082 3.852,1083 3.79,1084 4.991,1085 3.788,1086 3.89,1087 3.93,1088 3.804,1089 3.738,1090 4.848,1091 3.758,1092 3.798,1093 3.871,1094 3.689,1095 3.61,1096 4.752,1097 3.618,1098 3.639,1099 3.707,1100 3.562,1101 3.48,1102 4.382,1103 3.478,1104 3.537,1105 3.566,1106 3.503,1107 3.468,1108 4.32,1109 3.439,1110 3.375,1111 3.451,1112 3.24,1113 3.168,1114 4.188,1115 3.17,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.589,1122 0.091,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.053,1138 1.394,1139 2.062,1140 1.933,1141 1.901,1142 2.033,1143 2.011,1144 1.296,1145 2.018,1146 1.816,1147 1.748,1148 2.012,1149 1.995,1150 1.211,1151 2.015,1152 1.733,1153 1.694,1154 1.898,1155 1.913,1156 1.199,1157 1.907,1158 1.639,1159 1.587,1160 1.86,1161 1.812,1162 1.188,1163 1.827,1164 1.577,1165 1.507,1166 1.83,1167 1.751,1168 1.109,1169 1.793,1170 1.5,1171 1.477,1172 1.68,1173 1.719,1174 0.901,1175 1.708,1176 1.469,1177 1.42,1178 1.608,1179 1.639,1180 0.825,1181 1.628,1182 4.595,1183 5.916,1184 3.434,1185 7.414,1186 5.687,1187 8.994,1188 7.695,1189 10.618,1191 2.062,1197 12.008,1198 6.643,1201 0.007,1202 4.994,1203 -0.858,1206 53.754,1207 131.18,1208 314.766,1209 431.397,1210 492.165,1211 505.675,1212 505.675,1213 91.016,1214 8.241,1215 93.36,1216 121.6,1217 33,1218 12.96,1219 4.585,1220 3.755,1221 65.981,1222 247,1223 290,1224 0.12,1225 329.83,1226 569.35,1227 796.545,1228 49532,1230 30.357,1231 0.69,1232 0.602,1233 30.711,1234 26.503,1235 21.454,1236 0.438,1237 0.344,1238 15.967,1239 20.401,1240 15.522,1241 12.815,1242 21.863,1243 16.874,1244 19.367,1245 0.285,1246 0.201,1247 20.009,1248 13.66,1249 16.202,1250 0.184,1251 0.117,1252 17.039,1253 10.333,1254 13.429,1255 0.119,1256 0.069,1257 14.33,1258 7.759,1259 10.225,1260 0.077,1261 0.039,1262 10.996,1263 5.17,1264 0.193,1265 136.931,1266 0.173,1267 39.311,1268 0.317,1269 234,1270 560.265,1271 275.819,1272 570.363,1273 784.1,1274 536,1275 273,1276 558.621,1277 314.719,1278 586.16,1279 856.45,1280 552,1281 8}
{0 CHEMBL1083877,1 1.541,2 17.4,3 5.621,4 31.598,5 181.737,6 7.067,7 0.42,8 4.571,9 4.708,10 4.127,11 4.11,12 5.56,13 4.058,14 5.162,15 5.363,16 4.511,17 4.545,18 6.089,19 4.461,20 5.456,21 5.694,22 4.526,23 4.693,24 6.333,25 4.563,26 5.564,27 5.83,28 4.477,29 4.69,30 6.428,31 4.546,32 5.523,33 5.777,34 4.509,35 4.662,36 6.509,37 4.536,38 5.525,39 5.768,40 4.558,41 4.717,42 6.443,43 4.592,44 5.588,45 5.839,46 4.501,47 4.775,48 6.444,49 4.631,50 5.642,51 5.906,52 4.521,53 4.805,54 6.488,55 4.656,56 0.133,57 1.393,58 20.806,59 8.52,60 13.463,61 11.698,62 0.432,63 2.297,64 40.604,65 14.381,66 38.388,67 20.427,68 0.651,69 2.785,70 58.346,71 19.283,72 60.173,73 27.5,74 0.636,75 2.846,76 65.02,77 21.447,78 70.176,79 30.492,80 0.846,81 2.755,82 64.516,83 20.218,84 120.381,85 28.28,86 0.735,87 2.89,88 64.955,89 20.126,90 84.576,91 28.325,92 0.647,93 2.998,94 66.428,95 23.023,96 74.323,97 32.361,98 0.643,99 3.092,100 67.929,101 23.999,102 83.234,103 34.285,104 17,105 70,106 0.229,107 0.527,108 0.725,109 0.826,110 0.849,111 0.849,112 3.832,113 1.021,114 -5.38,115 -5.26,116 -4.92,119 38.2,120 1,121 7,124 1,125 6,126 1,127 1,132 9,133 3,138 1,141 2,144 2,151 3,155 17,157 3,158 1,160 2,162 4,163 22,165 3,166 5,168 1,169 1,170 8,173 14,175 2,176 7,181 5,183 8,185 1,186 8,189 2,191 6,193 13,195 2,196 8,200 7,203 17,205 3,206 8,211 4,214 15,218 12,221 2,223 4,224 20,227 12,231 3,234 18,238 5439,239 30.556,240 30.556,241 30.556,242 30.556,243 30.556,244 27.789,245 34.094,246 18.077,247 31.097,248 24.714,249 24.714,250 24.714,251 24.714,252 24.714,253 20.528,254 42.527,255 8.657,256 25.614,257 4.935,258 2.929,259 1.593,260 0.91,261 0.759,262 0.759,263 4.54,267 1,268 1729,269 4.848,271 445.032,272 535.815,274 243.335,277 2.596,278 40.235,280 0.75,281 0.33,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.69,288 96,289 783,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.712,305 1.058,306 9.799,307 2.881,308 4.102,309 3.079,310 5.817,311 3.721,312 2.781,313 3.689,314 0.916,315 7.986,316 2.635,317 3.937,318 2.957,319 5.683,320 3.655,321 2.669,322 3.455,323 0.8,324 7.88,325 2.614,326 3.886,327 2.882,328 5.605,329 3.507,330 2.571,331 3.307,332 0.248,333 7.732,334 2.475,335 3.645,336 2.811,337 5.408,338 3.503,339 2.512,340 2.815,341 0.172,342 7.155,343 2.4,344 3.487,345 2.701,346 5.146,347 3.241,348 2.265,349 2.673,351 6.329,352 2.208,353 3.414,354 2.499,355 5.097,356 3.104,357 2.173,358 2.488,360 6.248,361 2.069,362 3.268,363 2.363,364 4.957,365 3.074,366 2.076,367 2.36,369 5.787,370 2.014,371 3.03,372 2.258,373 4.709,374 2.696,375 1.708,376 2.289,378 4.708,379 1.695,380 2.971,381 1.949,382 4.54,383 2.635,384 1.663,385 2.06,387 4.324,388 1.594,389 2.938,390 1.646,391 4.402,392 2.463,393 1.53,394 2.011,396 4.265,397 1.429,398 2.8,399 1.523,400 4.176,401 2.431,402 1.435,403 1.834,405 3.381,406 1.405,407 2.643,408 1.5,409 3.618,410 2.272,411 1.302,412 1.622,414 3.059,415 1.251,416 2.5,417 1.418,418 3.606,419 2.065,420 1.088,421 1.5,423 2.534,424 1.052,425 21.7,426 0.482,427 1.082,428 0.024,429 49.75,430 1.106,431 21,432 0.467,433 28.75,434 0.639,435 54.427,436 1.209,437 49.7,438 0.558,439 40.844,440 0.908,441 9.178,442 0.204,443 12.67,444 0.282,445 0.077,446 0.023,447 0.263,450 0.653,451 1.284,452 0.817,453 1.082,454 0.534,455 1.034,456 0.793,457 1.098,458 0.887,459 0.961,460 0.502,461 0.971,462 0.964,463 1.019,464 1.065,465 1.09,466 0.891,467 1.09,468 1.161,469 0.97,470 0.955,471 0.973,472 1.332,473 0.976,474 1.381,475 0.948,476 1.05,477 0.941,478 1.608,479 0.916,480 1.378,481 0.993,482 1.154,483 1.048,484 1.431,485 1.018,486 1.015,487 1.01,488 1.064,489 1.088,490 1.125,491 1.068,492 1,493 0.927,494 0.887,495 0.941,496 1.161,497 0.99,498 10.5,499 0.269,500 4.444,501 2.986,502 2.477,503 1.184,504 1.158,505 0.74,506 0.585,507 0.421,508 41069,509 95643,510 2.128,511 49.4,512 7,513 25,516 2,518 10,520 1.83,521 2.022,522 4.011,523 0.115,527 137.152,528 1.541,529 3.547,530 4.883,531 5.565,532 5.717,533 5.717,534 3.48,535 5.014,536 5.459,537 4.239,538 4196.33,539 9.691,540 82826.9,544 576.34,545 1.367,546 5.433,547 0.21,548 0.004,549 0.063,550 0.045,551 0.039,552 0.018,553 0.017,554 0.011,555 0.008,556 0.006,557 0.423,558 0.17,559 0.63,560 0.432,561 266.272,562 0.119,563 -0.024,564 0.083,565 0.003,566 0.03,567 0.012,568 0.102,569 0.059,570 0.071,571 0.063,572 0.11,573 0.032,574 0.012,575 0.037,576 -0.066,577 -0.078,578 -0.014,579 -0.097,580 -0.04,581 -0.019,582 0.022,583 -0.004,584 -0.06,585 0.005,586 -0.023,587 0.025,588 0.009,589 0.057,590 0.047,591 0.054,592 -0.139,593 0.039,594 -0.083,595 -0.027,596 -0.089,597 -0.041,598 -0.022,599 -0.03,600 -0.085,601 -0.077,602 -0.019,603 -0.063,604 -0.034,605 0.012,606 0.01,607 0.016,608 -0.046,609 0.008,610 2.119,611 7.049,612 0.689,613 67.351,614 0.994,615 1.133,616 4.15,617 17.222,618 0.655,619 3.932,620 4.263,621 4.511,622 4.762,623 4.92,624 4.956,625 5.069,626 5.209,627 5.252,628 5.328,629 10.001,630 0.61,631 628.93,632 3.932,633 5.485,634 6.33,635 7.207,636 8.068,637 8.948,638 9.817,639 10.699,640 11.574,641 12.458,642 9,645 2,648 2,649 1,651 3,653 2,654 9,655 3,658 1,659 4,660 1,661 21,662 1,670 89,672 23,673 2,674 50,676 94,677 34,678 15,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 17,697 17,698 1,699 2,703 2,707 2,713 44,714 9,715 2,716 11,717 1,720 8,721 0.833,722 2,732 3,733 3,735 1,742 1,749 2,753 5,755 1,757 2,761 45,766 13,767 2,770 1,771 2,772 1,774 1,778 2.2,781 2,785 22.25,786 16.283,787 9.764,788 5.701,789 2.426,790 1.292,791 0.977,792 10.359,793 10.741,794 4.151,795 4.7,796 5.204,797 5.726,798 6.117,799 6.307,800 6.597,801 6.95,802 6.902,803 6.989,804 0.917,805 66,806 16.822,807 7.25,808 7.572,809 32.963,810 27.96,811 2.072,812 93.25,815 494.386,816 186.947,817 93.791,819 50.29,821 31.278,822 155.669,823 544.676,824 93.791,825 17.222,826 66.397,827 85.286,828 109.566,829 19.175,830 2.104,831 525.664,833 494.386,834 249.46,835 50.29,836 31.278,838 379.003,839 168.001,841 83.125,842 114.14,843 49.867,844 31.278,845 494.386,846 144.081,847 186.947,850 494.386,851 84.439,852 110.41,853 36.022,854 100.156,855 494.386,856 144.081,857 186.947,859 0.583,860 0.335,861 0.18,862 0.094,863 33,864 14,865 0.128,866 12,867 1,868 1.065,869 5.493,870 463.037,871 0.065,872 31,873 235.133,874 1,878 31.936,879 14.597,880 8.228,881 2.157,882 142.426,883 18.554,884 12.371,887 1.494,888 3.8,889 1.505,890 36.022,891 825.414,892 62.5,896 27.564,900 -0.197,902 88.45,903 100.799,904 0.238,905 0.548,906 0.754,907 0.859,908 0.883,909 0.883,910 5.408,911 2.173,912 6.323,913 6.329,914 4.949,915 5.389,916 2.509,917 7.136,918 4.879,919 6.593,920 2.076,921 7.884,922 6.248,923 4.575,924 5.165,925 1.738,926 8.249,927 4.466,928 7.894,929 1.708,930 9.555,931 5.787,932 6.575,933 7.505,934 3.201,935 11.311,936 6.436,937 9.228,938 1.663,939 11.301,940 4.708,941 7.057,942 8.13,943 3.149,944 13.399,945 6.886,946 10.598,947 1.53,948 13.101,949 4.324,950 8.527,951 9.952,952 4.265,953 16.084,954 8.329,955 11.993,956 1.435,957 14.947,958 4.265,959 9.404,960 10.984,961 4.566,962 18.541,963 9.183,964 13.407,965 1.302,966 16.828,967 3.381,968 10.687,969 12.597,970 5.487,971 21.164,972 10.443,973 3.502,974 1.088,975 18.739,976 3.059,977 11.751,978 13.839,979 5.962,980 23.74,981 11.49,982 3.048,983 13.894,984 20.675,985 2.534,986 12.976,987 15.364,988 6.773,989 26.36,990 12.697,991 2.781,992 9.799,993 22.631,994 4.454,995 14.128,996 16.718,997 7.337,998 28.972,999 13.834,1000 2.669,1001 7.986,1002 24.603,1003 3.712,1004 15.343,1005 18.208,1006 8.087,1007 31.597,1008 15.035,1009 2.571,1010 7.88,1011 26.588,1012 3.689,1013 16.538,1014 19.622,1015 8.698,1016 34.221,1017 16.216,1018 2.512,1019 7.732,1020 28.583,1021 3.455,1022 17.759,1023 21.101,1024 9.414,1025 36.849,1026 17.423,1027 2.265,1028 7.155,1029 30.586,1030 3.307,1031 18.975,1032 22.548,1033 10.051,1034 39.477,1035 18.626,1036 37761,1037 57863,1038 33.978,1039 58.307,1040 75.196,1041 76.099,1042 76.521,1043 74.597,1044 74.547,1045 92.216,1046 10.302,1047 213.2,1048 71.994,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 19.206,1059 1.504,1060 1.522,1061 1.53,1062 1.492,1063 1.491,1064 1.844,1065 0.206,1066 4.264,1067 1.44,1068 4.102,1069 4.117,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.976,1075 4.025,1076 3.905,1077 3.886,1078 7.424,1079 3.879,1080 3.905,1081 3.976,1082 3.847,1083 3.789,1084 5.191,1085 3.786,1086 3.889,1087 3.93,1088 3.804,1089 3.685,1090 4.848,1091 3.703,1092 3.784,1093 3.87,1094 3.69,1095 3.541,1096 4.752,1097 3.561,1098 3.639,1099 3.708,1100 3.562,1101 3.469,1102 4.386,1103 3.46,1104 3.537,1105 3.566,1106 3.504,1107 3.435,1108 4.321,1109 3.438,1110 3.381,1111 3.458,1112 3.245,1113 3.167,1114 4.188,1115 3.171,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.589,1122 0.089,1123 4.082,1124 0.039,1125 7.627,1126 0.278,1127 4.485,1128 0.069,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.053,1138 1.394,1139 2.061,1140 1.933,1141 1.901,1142 2.033,1143 2.011,1144 1.294,1145 2.017,1146 1.812,1147 1.745,1148 2.01,1149 1.995,1150 1.211,1151 2.015,1152 1.732,1153 1.692,1154 1.896,1155 1.913,1156 1.199,1157 1.906,1158 1.634,1159 1.58,1160 1.86,1161 1.815,1162 1.188,1163 1.825,1164 1.577,1165 1.507,1166 1.829,1167 1.779,1168 1.107,1169 1.793,1170 1.484,1171 1.471,1172 1.685,1173 1.751,1174 0.875,1175 1.747,1176 1.439,1177 1.355,1178 1.617,1179 1.637,1180 0.825,1181 1.631,1182 4.615,1183 5.943,1184 3.434,1185 7.444,1186 5.733,1187 9.024,1188 7.766,1189 10.649,1191 3.85,1197 11.517,1198 6.631,1201 -0.009,1202 4.883,1203 -0.869,1206 54.27,1207 137.152,1208 315.697,1209 434.553,1210 495.321,1211 508.831,1212 508.831,1213 94.627,1214 8.315,1215 108.28,1216 136.52,1217 33,1218 12.993,1219 4.585,1220 3.755,1221 68.319,1222 259,1223 322,1224 0.118,1225 333.826,1226 574.05,1227 806.296,1228 54819,1230 31.227,1231 0.694,1232 0.604,1233 31.581,1234 27.19,1235 21.848,1236 0.437,1237 0.34,1238 16.08,1239 20.633,1240 15.601,1241 12.898,1242 22.256,1243 17.02,1244 20.001,1245 0.286,1246 0.197,1247 20.643,1248 13.794,1249 16.53,1250 0.184,1251 0.115,1252 17.368,1253 10.307,1254 13.722,1255 0.118,1256 0.067,1257 14.623,1258 7.739,1259 10.576,1260 0.078,1261 0.038,1262 11.347,1263 5.177,1264 0.19,1265 140.353,1266 0.172,1267 40.056,1268 0.311,1269 240,1270 610.868,1271 286.066,1272 616.5,1273 847.92,1274 578,1275 280,1276 617.571,1277 326.603,1278 639.908,1279 930.38,1280 601,1281 7.9}
{0 CHEMBL1083878,1 1.437,2 18.023,3 6.161,4 37.959,5 182.267,6 6.585,7 0.333,8 4.6,9 4.733,10 4.087,11 4.145,12 5.518,13 4.075,14 5.209,15 5.411,16 4.451,17 4.572,18 6.068,19 4.466,20 5.518,21 5.763,22 4.503,23 4.724,24 6.336,25 4.579,26 5.605,27 5.873,28 4.451,29 4.727,30 6.428,31 4.566,32 5.595,33 5.861,34 4.476,35 4.714,36 6.511,37 4.559,38 5.588,39 5.84,40 4.535,41 4.75,42 6.445,43 4.605,44 5.638,45 5.896,46 4.499,47 4.802,48 6.46,49 4.65,50 5.672,51 5.932,52 4.526,53 4.848,54 6.495,55 4.69,56 0.091,57 1.346,58 23.295,59 9.615,60 10.842,61 13.274,62 0.43,63 2.262,64 44.702,65 16.218,66 37.369,67 22.825,68 0.661,69 2.849,70 63.036,71 21.238,72 56.18,73 30.236,74 0.642,75 2.928,76 67.179,77 22.959,78 63.927,79 32.592,80 0.814,81 2.88,82 68.497,83 22.99,84 111.769,85 32.02,86 0.67,87 2.951,88 69.244,89 22.689,90 77.749,91 31.792,92 0.716,93 3.083,94 69.882,95 24.236,96 72.917,97 34.266,98 0.609,99 3.207,100 69.383,101 25.357,102 73.356,103 36.153,104 22,105 65,106 0.213,107 0.482,108 0.7,109 0.818,110 0.836,111 0.842,112 3.81,113 1.091,114 -4.86,115 -4.77,116 -4.47,119 38.3,120 2,121 8,125 8,126 1,127 1,132 9,133 3,141 2,144 2,155 17,158 4,160 2,162 4,163 22,165 1,166 5,168 1,169 1,170 8,173 14,175 1,176 7,181 5,183 9,185 1,186 9,189 2,191 6,193 13,196 9,200 7,203 17,205 2,206 8,211 4,214 16,218 10,221 2,223 4,224 21,227 10,231 3,234 18,238 5210,239 30.084,240 30.084,241 30.084,242 30.084,243 30.084,244 27.963,245 33.116,246 18.261,247 30.776,248 23.696,249 23.696,250 23.696,251 23.696,252 23.696,253 20.45,254 39.127,255 8.693,256 24.718,257 5.118,258 3.302,259 1.828,260 1.032,261 0.91,262 0.867,263 4.512,267 1,268 1713,269 5.148,271 274.187,272 530.741,274 238.746,277 2.573,278 38.191,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 93,289 793,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.058,306 9.799,307 2.881,308 3.937,309 2.984,310 5.817,311 3.657,312 2.681,313 3.455,314 0.86,315 7.881,316 2.634,317 3.886,318 2.956,319 5.606,320 3.576,321 2.643,322 3.307,323 0.8,324 7.733,325 2.475,326 3.66,327 2.878,328 5.491,329 3.503,330 2.512,331 2.815,332 0.8,333 7.388,334 2.449,335 3.488,336 2.701,337 5.151,338 3.247,339 2.278,340 2.662,341 0.248,342 6.399,343 2.212,344 3.413,345 2.583,346 5.122,347 3.124,348 2.195,349 2.483,351 6.27,352 2.07,353 3.219,354 2.363,355 4.957,356 3.074,357 2.076,358 2.289,360 5.787,361 2.025,362 3.03,363 2.324,364 4.709,365 2.691,366 1.72,367 2.223,369 4.325,370 1.692,371 2.965,372 2.256,373 4.402,374 2.606,375 1.669,376 2.06,378 4.266,379 1.525,380 2.807,381 1.646,382 4.176,383 2.463,384 1.53,385 1.843,387 3.381,388 1.43,389 2.715,390 1.524,391 3.728,392 2.434,393 1.437,394 1.715,396 3.378,397 1.405,398 2.643,399 1.5,400 3.618,401 2.275,402 1.306,403 1.622,405 3.059,406 1.254,407 2.5,408 1.418,409 3.605,410 2.1,411 1.135,412 1.5,414 2.547,415 1.085,416 2.252,417 1.327,418 3.529,419 2,420 1.022,421 1.211,423 2.275,424 1,425 21.433,426 0.487,427 0.907,428 0.021,429 44.5,430 1.011,431 17,432 0.386,433 27.5,434 0.625,435 56.723,436 1.289,437 49.967,438 0.532,439 35.601,440 0.809,441 7.976,442 0.181,443 13.461,444 0.306,445 0.078,446 0.023,447 0.224,450 0.776,451 1.374,452 0.893,453 1.14,454 0.575,455 1.097,456 1.015,457 1.132,458 0.972,459 0.991,460 0.581,461 1.021,462 1.07,463 1.057,464 1.049,465 1.043,466 0.88,467 1.043,468 1.148,469 1.012,470 0.963,471 0.959,472 1.339,473 0.969,474 1.214,475 0.947,476 1.006,477 0.935,478 1.512,479 0.911,480 1.345,481 1.056,482 1.087,483 1.029,484 1.382,485 0.981,486 1.114,487 1.009,488 1.044,489 0.997,490 1.153,491 0.987,492 0.962,493 1.011,494 0.916,495 0.969,496 1.178,497 1.018,498 9,499 0.233,500 4.222,501 2.417,502 2.397,503 1.107,504 1.027,505 0.721,506 0.566,507 0.432,508 36918,509 76209,510 2.092,511 53.2,512 7,513 26,516 2,518 13,519 2,520 1.825,521 1.992,522 4.035,523 0.058,527 135.066,528 1.437,529 3.253,530 4.726,531 5.522,532 5.645,533 5.687,534 3.549,535 4.988,536 5.422,537 4.247,538 4017.65,539 9.624,540 78211.3,544 616.131,545 1.321,546 5.402,547 0.188,548 0.004,549 0.065,550 0.038,551 0.039,552 0.018,553 0.016,554 0.011,555 0.008,556 0.006,557 0.392,558 0.17,559 0.63,560 1.059,561 259.009,562 0.006,563 -0.115,564 0.074,565 -0.006,566 -0.003,567 0.016,568 0.01,569 0.025,570 0.032,571 0.05,572 0.062,573 0.008,574 -0.005,575 0.01,576 -0.028,577 -0.043,578 0.004,579 -0.054,580 -0.026,581 -0.019,582 0.016,583 -0.002,584 -0.041,586 0.047,587 0.042,588 0.042,589 0.05,590 0.103,591 0.057,592 -0.089,593 -0.027,594 -0.008,595 -0.014,596 -0.039,598 -0.025,599 0.005,600 -0.047,601 -0.012,602 -0.005,603 -0.002,604 -0.025,605 -0.009,606 -0.015,607 -0.02,608 -0.035,609 -0.028,610 2.101,611 7.033,612 0.591,613 67.783,614 0.987,615 1.129,616 3.627,617 13.153,618 0.644,619 3.892,620 4.19,621 4.431,622 4.663,623 4.844,624 4.883,625 4.977,626 5.118,627 5.153,628 5.226,629 9.973,630 0.591,631 618.97,632 3.892,633 5.425,634 6.26,635 7.125,636 7.981,637 8.854,638 9.721,639 10.6,640 11.474,641 12.357,642 4.3,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 94,672 18,673 2,674 48,676 98,677 36,678 14,679 4,680 8,681 1,683 5,684 6,688 2,691 4,692 1,694 9,696 16,697 20,698 1,699 2,703 2,707 2,713 50,714 7,715 2,716 8,717 1,720 4,721 0.8,722 3,732 2,733 3,735 1,742 1,749 2,752 1,753 4,755 1,757 2,761 44,766 16,767 2,768 1,770 1,771 2,772 1,774 1,778 3.2,781 2,782 1,785 22.083,786 16.9,787 9.847,788 6.322,789 2.162,790 1.268,791 0.958,792 12.255,793 10.24,794 4.078,795 4.572,796 5.057,797 5.561,798 6.021,799 6.232,800 6.518,801 6.888,802 6.824,803 6.899,804 1,805 64,806 16.513,807 7.003,808 7.513,809 32.733,810 27.567,811 2.013,812 88.583,815 565.013,816 196.767,817 42.27,819 61.29,821 31.278,822 165.489,823 626.303,824 42.27,825 17.65,826 78.117,827 85.286,828 70.699,829 15.193,830 2.104,831 596.291,833 565.013,834 207.76,835 61.29,836 31.278,838 388.446,839 226.856,840 11,841 102.016,842 105.744,844 31.278,845 565.013,846 103.56,847 196.767,850 565.013,851 93.831,852 109.185,853 36.022,854 61.29,855 565.013,856 103.56,857 196.767,859 0.569,860 0.326,861 0.173,862 0.093,863 28,864 12,865 0.153,866 15,867 1,868 1.077,869 5.397,870 437.243,871 0.077,872 26,873 228.215,874 1,878 33.063,879 16.309,880 9.36,881 2.174,882 103.56,883 18.642,887 1.502,888 3.071,890 36.022,891 865.34,892 58,896 27.536,900 -0.167,902 92.788,903 106.091,904 0.219,905 0.496,906 0.721,907 0.843,908 0.861,909 0.868,910 5.323,911 2.076,912 6.236,913 6.27,914 4.875,915 5.26,916 2.583,917 7.04,918 4.8,919 6.482,920 1.72,921 7.79,922 5.787,923 4.443,924 4.997,925 1.738,926 8.176,927 4.34,928 7.77,929 1.669,930 9.461,931 4.325,932 6.485,933 7.335,934 3.225,935 11.243,936 6.344,937 9.096,938 1.53,939 11.212,940 4.266,941 6.948,942 7.958,943 3.141,944 13.364,945 6.785,946 10.462,947 1.437,948 13.022,949 3.381,950 8.439,951 9.783,952 4.271,953 16.055,954 8.246,955 11.857,956 1.306,957 14.878,958 3.378,959 9.319,960 10.827,961 4.564,962 18.527,963 9.108,964 13.273,965 1.135,966 16.771,967 3.059,968 10.614,969 12.45,970 5.488,971 21.154,972 10.38,973 3.502,974 1.022,975 18.693,976 2.547,977 11.687,978 13.708,979 5.962,980 23.734,981 11.438,982 3.048,983 13.894,984 20.639,985 2.275,986 12.922,987 15.245,988 6.773,989 26.357,990 12.654,991 2.681,992 9.799,993 22.603,994 4.454,995 14.082,996 16.614,997 7.337,998 28.97,999 13.8,1000 2.643,1001 7.881,1002 24.581,1003 3.689,1004 15.305,1005 18.117,1006 8.087,1007 31.596,1008 15.007,1009 2.512,1010 7.733,1011 26.571,1012 3.455,1013 16.506,1014 19.543,1015 8.698,1016 34.22,1017 16.194,1018 2.278,1019 7.388,1020 28.57,1021 3.307,1022 17.732,1023 21.033,1024 9.414,1025 36.849,1026 17.406,1027 2.195,1028 6.399,1029 30.576,1030 2.815,1031 18.954,1032 22.49,1033 10.051,1034 39.477,1035 18.613,1036 34936,1037 50493,1038 32.474,1039 60.546,1040 70.525,1041 72.069,1042 72.851,1043 70.137,1044 70.126,1045 84.085,1046 11.445,1047 195.743,1048 67.485,1049 5.589,1050 6.082,1051 7.563,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 19.065,1059 1.469,1060 1.501,1061 1.518,1062 1.461,1063 1.461,1064 1.752,1065 0.238,1066 4.078,1067 1.406,1068 4.102,1069 4.115,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.972,1075 4.013,1076 3.894,1077 3.886,1078 7.424,1079 3.879,1080 3.89,1081 3.94,1082 3.804,1083 3.789,1084 4.85,1085 3.786,1086 3.865,1087 3.924,1088 3.75,1089 3.681,1090 4.753,1091 3.687,1092 3.679,1093 3.742,1094 3.563,1095 3.528,1096 4.601,1097 3.52,1098 3.599,1099 3.659,1100 3.535,1101 3.469,1102 4.387,1103 3.439,1104 3.537,1105 3.566,1106 3.447,1107 3.398,1108 4.322,1109 3.399,1110 3.424,1111 3.505,1112 3.258,1113 3.225,1114 4.189,1115 3.214,1116 0.096,1117 0.085,1118 0.159,1119 0.093,1120 0.073,1121 4.589,1122 0.093,1123 4.082,1124 0.041,1125 7.627,1126 0.289,1127 4.485,1128 0.072,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.056,1138 1.398,1139 2.064,1140 1.933,1141 1.901,1142 2.033,1143 2.016,1144 1.317,1145 2.025,1146 1.821,1147 1.752,1148 2.023,1149 1.995,1150 1.211,1151 2.015,1152 1.735,1153 1.695,1154 1.917,1155 1.914,1156 1.201,1157 1.91,1158 1.652,1159 1.599,1160 1.86,1161 1.85,1162 1.188,1163 1.86,1164 1.577,1165 1.509,1166 1.856,1167 1.781,1168 1.158,1169 1.798,1170 1.564,1171 1.507,1172 1.82,1173 1.751,1174 1.077,1175 1.793,1176 1.48,1177 1.463,1178 1.74,1179 1.647,1180 0.929,1181 1.68,1182 4.575,1183 5.878,1184 3.045,1185 7.365,1186 5.352,1187 8.939,1188 7.424,1189 10.561,1191 4.114,1197 15.286,1198 6.654,1199 5.497,1201 0.02,1202 5.106,1203 -0.851,1206 55.533,1207 135.066,1208 305.781,1209 444.26,1210 519.112,1211 530.622,1212 534.622,1213 103.915,1214 8.078,1215 73.91,1216 102.15,1217 28,1218 12.893,1219 4.248,1220 3.459,1221 73.925,1222 251,1223 368,1224 0.133,1225 343.078,1226 601.98,1227 828.87,1228 39546,1230 30.78,1231 0.7,1232 0.623,1233 31.133,1234 27.431,1235 21.437,1236 0.447,1237 0.364,1238 16.546,1239 20.358,1240 16.054,1241 13.269,1242 21.845,1243 17.457,1244 18.83,1245 0.29,1246 0.211,1247 19.472,1248 13.715,1249 15.526,1250 0.187,1251 0.125,1252 16.364,1253 10.36,1254 12.624,1255 0.12,1256 0.074,1257 13.525,1258 7.753,1259 9.905,1260 0.079,1261 0.041,1262 10.676,1263 5.213,1264 0.214,1265 136.871,1266 0.175,1267 39.393,1268 0.35,1269 226,1270 540.023,1271 267.534,1272 541.346,1273 737.97,1274 510,1275 261,1276 513.103,1277 301.658,1278 537.357,1279 787.32,1280 507,1281 7.2}
{0 CHEMBL1083879,1 1.482,2 17.457,3 5.497,4 30.22,5 184.631,6 6.861,7 0.314,8 4.614,9 4.74,10 4.139,11 4.171,12 5.56,13 4.112,14 5.23,15 5.418,16 4.528,17 4.619,18 6.125,19 4.523,20 5.562,21 5.797,22 4.597,23 4.777,24 6.434,25 4.647,26 5.648,27 5.903,28 4.542,29 4.755,30 6.569,31 4.619,32 5.606,33 5.851,34 4.55,35 4.74,36 6.626,37 4.606,38 5.609,39 5.852,40 4.577,41 4.806,42 6.465,43 4.658,44 5.708,45 5.974,46 4.525,47 4.829,48 6.529,49 4.674,50 5.669,51 5.929,52 4.537,53 4.82,54 6.525,55 4.675,56 0.067,57 1.355,58 22.419,59 9.615,60 9.865,61 12.952,62 0.447,63 2.323,64 44.252,65 16.69,66 39.132,67 22.944,68 0.658,69 2.999,70 65.118,71 22.332,72 63.048,73 31.202,74 0.73,75 3.056,76 70.788,77 23.41,78 92.477,79 32.57,80 1.156,81 2.94,82 70.043,83 22.927,84 152.312,85 31.252,86 0.579,87 3.087,88 69.765,89 24.188,90 76.863,91 33.432,92 0.74,93 3.264,94 75.488,95 25.941,96 87.686,97 36.401,98 0.798,99 3.172,100 70.161,101 24.578,102 91.13,103 34.7,104 17,105 71,106 0.219,107 0.496,108 0.706,109 0.831,110 0.84,111 0.84,112 3.853,113 1.057,114 -4.62,115 -4.54,116 -4.27,119 39.4,120 1,121 9,122 1,125 7,126 1,127 1,132 9,133 3,141 2,144 3,155 19,157 1,158 5,160 2,162 4,163 23,165 1,166 10,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 4,186 9,189 2,191 6,193 13,196 10,200 7,203 17,205 1,206 9,211 4,214 16,217 1,218 11,221 2,223 4,224 23,227 8,231 3,234 20,238 5716,239 31.368,240 31.368,241 31.368,242 31.368,243 31.368,244 29.142,245 34.909,246 18.627,247 31.954,248 25.176,249 25.176,250 25.176,251 25.176,252 25.176,253 21.683,254 41.192,255 8.863,256 26.081,257 5.073,258 3.193,259 1.766,260 0.918,261 0.859,262 0.859,263 4.562,267 1,268 1769,269 5,271 286.236,272 747.959,274 249.934,277 2.603,278 48.404,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 98,289 803,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.82,301 6.391,302 3.994,303 3.048,304 3.689,305 1.94,306 9.799,307 2.908,308 4.113,309 3.538,310 6.351,311 3.952,312 2.974,313 3.455,314 1.058,315 9.667,316 2.881,317 3.937,318 2.957,319 5.817,320 3.655,321 2.669,322 3.307,323 0.86,324 7.88,325 2.634,326 3.886,327 2.891,328 5.606,329 3.503,330 2.514,331 3.272,332 0.8,333 7.733,334 2.475,335 3.537,336 2.853,337 5.412,338 3.453,339 2.511,340 2.815,341 0.555,342 7.095,343 2.355,344 3.485,345 2.701,346 5.15,347 3.232,348 2.252,349 2.549,350 0.248,351 6.296,352 2.2,353 3.4,354 2.511,355 5.125,356 3.076,357 2.11,358 2.462,360 6.111,361 2.069,362 3.132,363 2.363,364 4.957,365 3.041,366 2.076,367 2.289,369 5.787,370 1.963,371 3.03,372 2.272,373 4.709,374 2.691,375 1.674,376 2.135,378 4.326,379 1.692,380 2.965,381 2.184,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.443,389 2.808,390 1.791,391 4.176,392 2.453,393 1.511,394 1.845,396 3.381,397 1.405,398 2.643,399 1.646,400 3.904,401 2.395,402 1.429,403 1.622,405 3.331,406 1.35,407 2.586,408 1.522,409 3.618,410 2.267,411 1.301,412 1.559,414 3.056,415 1.243,416 2.5,417 1.5,418 3.605,419 2.067,420 1.096,421 1.5,423 2.544,424 1.052,425 22.267,426 0.484,427 1.048,428 0.023,429 47.75,430 1.038,431 18.5,432 0.402,433 29.25,434 0.636,435 59.177,436 1.286,437 51.533,438 0.548,439 39.635,440 0.862,441 8.481,442 0.184,443 13.901,444 0.302,445 0.067,446 0.022,447 0.26,450 0.715,451 1.33,452 0.844,453 1.102,454 0.525,455 1.05,456 0.858,457 1.131,458 0.939,459 1,460 0.547,461 1.023,462 0.976,463 1.091,464 1.025,465 1.07,466 0.867,467 1.058,468 1.337,469 1.014,470 0.994,471 0.943,472 1.55,473 0.957,474 1.3,475 0.902,476 1.079,477 0.909,478 1.612,479 0.925,480 0.964,481 1.137,482 1.076,483 1.123,484 1.001,485 1.07,486 1.007,487 1.001,488 0.998,489 0.976,490 0.938,491 0.964,492 1.056,493 0.901,494 0.915,495 0.87,496 1.052,497 0.942,498 9.5,499 0.253,500 5.111,501 3.104,502 2.628,503 1.212,504 1.127,505 0.789,506 0.546,507 0.442,508 43165,509 95321,510 2.125,511 51.1,512 7,513 24,516 2,517 1,518 14,520 1.835,521 2.022,522 4.024,523 0.062,527 139.303,528 1.482,529 3.361,530 4.788,531 5.637,532 5.695,533 5.695,534 3.485,535 5.116,536 5.493,537 4.248,538 4397,539 9.756,540 88015.7,544 616.131,545 1.352,546 5.466,547 0.186,548 0.004,549 0.072,550 0.044,551 0.039,552 0.018,553 0.016,554 0.011,555 0.008,556 0.006,557 0.405,558 0.17,559 0.63,560 0.426,561 273.722,562 -0.006,563 -0.096,564 0.074,565 0.006,566 0.002,567 0.027,568 0.045,569 0.017,570 0.029,571 0.037,572 0.047,573 -0.004,574 -0.003,575 -0.031,576 -0.027,577 -0.074,578 -0.008,579 -0.071,580 -0.11,581 -0.025,582 -0.006,584 -0.105,585 -0.001,586 0.053,587 0.101,588 -0.02,589 0.071,590 0.032,591 0.033,592 -0.044,593 -0.107,594 -0.038,595 -0.093,596 -0.021,597 -0.069,598 -0.038,599 -0.021,600 -0.018,601 -0.009,602 -0.01,603 0.015,604 -0.05,605 0.088,606 -0.003,607 0.057,608 -0.051,609 0.029,610 2.133,611 7.069,612 0.696,613 68.176,614 0.992,615 1.126,616 3.387,617 11.475,618 0.651,619 3.951,620 4.277,621 4.543,622 4.779,623 4.963,624 4.99,625 5.094,626 5.22,627 5.252,628 5.328,629 10.09,630 0.603,631 644.96,632 3.951,633 5.501,634 6.351,635 7.226,636 8.092,637 8.971,638 9.844,639 10.726,640 11.603,641 12.488,642 4.3,645 1,648 3,653 2,654 9,658 1,659 3,661 16,662 1,670 94,672 19,673 2,674 51,676 99,677 37,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 6,692 2,694 10,696 17,697 20,698 2,699 3,703 3,707 3,713 48,714 8,715 2,716 9,717 1,720 4,721 0.833,722 4,732 2,733 4,735 1,742 1,743 1,749 1,752 1,753 5,755 1,757 1,761 46,766 16,767 2,768 1,770 2,771 2,772 1,774 1,778 4.3,781 3,782 1,785 22.75,786 16.65,787 10.069,788 6.231,789 2.072,790 1.248,791 0.969,792 11.218,793 10.423,794 4.143,795 4.652,796 5.142,797 5.624,798 6.068,799 6.272,800 6.553,801 6.908,802 6.845,803 6.923,804 0.917,805 71,806 17.317,807 7.556,808 7.6,809 34.044,810 29.338,811 2.1,812 96.583,815 541.471,816 193.075,817 42.27,819 86.435,821 31.278,822 161.798,823 627.905,824 42.27,825 8.825,826 81.67,827 85.286,828 100.549,829 12.068,830 2.104,831 572.748,833 541.471,834 204.068,835 86.435,836 31.278,838 376.675,839 240.23,840 11,841 93.619,842 110.448,844 31.278,845 541.471,846 128.705,847 193.075,850 541.471,851 98.964,852 100.36,853 36.022,854 86.435,855 541.471,856 128.705,857 193.075,859 0.581,860 0.34,861 0.181,862 0.096,863 33,864 14,865 0.111,866 11,867 1,868 1.063,869 5.53,870 478.451,871 0.063,872 32,873 235.329,874 1,878 33.272,879 15.509,880 8.457,881 2.145,882 128.705,883 18.489,887 1.487,888 3.008,890 36.022,891 863.251,892 62,896 40.557,900 0.074,902 93.232,903 105.885,904 0.226,905 0.513,906 0.731,907 0.86,908 0.869,909 0.869,910 5.407,911 2.11,912 6.34,913 6.296,914 4.963,915 5.34,916 2.942,917 7.163,918 4.899,919 6.575,920 2.076,921 7.909,922 6.111,923 4.575,924 5.112,925 2.262,926 8.298,927 4.491,928 7.872,929 1.674,930 9.592,931 5.787,932 6.594,933 7.413,934 3.765,935 11.371,936 6.472,937 9.204,938 1.53,939 11.35,940 4.326,941 7.083,942 8.051,943 3.8,944 13.458,945 6.944,946 10.574,947 1.511,948 13.163,949 4.266,950 8.562,951 9.848,952 4.887,953 16.143,954 8.391,955 11.971,956 1.429,957 15.017,958 3.381,959 9.447,960 10.893,961 5.238,962 18.586,963 9.26,964 13.388,965 1.301,966 16.904,967 3.331,968 10.735,969 12.498,970 6.127,971 21.203,972 10.52,973 3.502,974 1.096,975 18.818,976 3.056,977 11.802,978 13.751,979 6.629,980 23.767,981 11.572,982 3.048,983 13.894,984 20.753,985 2.544,986 13.029,987 15.277,988 7.415,989 26.382,990 12.777,991 2.974,992 9.799,993 22.706,994 4.454,995 14.18,996 16.64,997 7.994,998 28.987,999 13.912,1000 2.669,1001 9.667,1002 24.673,1003 3.689,1004 15.395,1005 18.136,1006 8.726,1007 31.608,1008 15.108,1009 2.514,1010 7.88,1011 26.652,1012 3.455,1013 16.586,1014 19.558,1015 9.345,1016 34.229,1017 16.284,1018 2.511,1019 7.733,1020 28.64,1021 3.307,1022 17.804,1023 21.045,1024 10.048,1025 36.855,1026 17.484,1027 2.252,1028 7.095,1029 30.637,1030 3.272,1031 19.017,1032 22.499,1033 10.688,1034 39.482,1035 18.682,1036 39765,1037 59299,1038 34.671,1039 61.239,1040 76.658,1041 78.62,1042 78.275,1043 76.011,1044 75.972,1045 90.966,1046 14.836,1047 216.929,1048 73.513,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 19.199,1059 1.503,1060 1.542,1061 1.535,1062 1.49,1063 1.49,1064 1.784,1065 0.291,1066 4.254,1067 1.441,1068 4.103,1069 4.117,1070 4.338,1071 4.118,1072 7.434,1073 4.067,1074 3.977,1075 4.017,1076 3.9,1077 3.887,1078 7.426,1079 3.88,1080 3.902,1081 3.953,1082 3.81,1083 3.79,1084 7.424,1085 3.787,1086 3.889,1087 3.928,1088 3.804,1089 3.737,1090 4.849,1091 3.745,1092 3.771,1093 3.828,1094 3.641,1095 3.608,1096 4.753,1097 3.606,1098 3.638,1099 3.702,1100 3.562,1101 3.48,1102 4.604,1103 3.477,1104 3.537,1105 3.566,1106 3.499,1107 3.468,1108 4.368,1109 3.439,1110 3.385,1111 3.451,1112 3.266,1113 3.17,1114 4.314,1115 3.177,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.589,1122 0.087,1123 4.082,1124 0.038,1125 7.627,1126 0.272,1127 4.485,1128 0.067,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.078,1137 2.064,1138 1.399,1139 2.066,1140 1.933,1141 1.901,1142 2.034,1143 2.026,1144 1.363,1145 2.034,1146 1.849,1147 1.799,1148 2.033,1149 1.995,1150 1.264,1151 2.015,1152 1.762,1153 1.713,1154 1.972,1155 1.945,1156 1.211,1157 1.956,1158 1.717,1159 1.671,1160 1.882,1161 1.91,1162 1.198,1163 1.901,1164 1.612,1165 1.558,1166 1.86,1167 1.79,1168 1.188,1169 1.808,1170 1.577,1171 1.507,1172 1.822,1173 1.751,1174 1.097,1175 1.793,1176 1.479,1177 1.467,1178 1.609,1179 1.598,1180 0.843,1181 1.606,1182 4.635,1183 5.958,1184 3.045,1185 7.469,1186 5.352,1187 9.062,1188 7.424,1189 10.697,1191 2.056,1197 13.031,1198 6.613,1199 5.439,1201 0.081,1202 4.487,1203 -0.883,1206 56.721,1207 139.303,1208 315.958,1209 450.118,1210 529.867,1211 535.376,1212 535.376,1213 112.181,1214 8.351,1215 90.98,1216 119.22,1217 34,1218 13.022,1219 4.322,1220 3.585,1221 70.65,1222 268,1223 316,1224 0.118,1225 346.346,1226 613.07,1227 836.844,1228 57441,1230 31.934,1231 0.694,1232 0.607,1233 32.288,1234 27.917,1235 22.382,1236 0.439,1237 0.352,1238 17.045,1239 21.262,1240 16.602,1241 13.638,1242 22.79,1243 17.966,1244 20.132,1245 0.284,1246 0.205,1247 20.774,1248 14.535,1249 17.122,1250 0.184,1251 0.12,1252 17.96,1253 11.182,1254 14.003,1255 0.119,1256 0.071,1257 14.904,1258 8.376,1259 10.989,1260 0.077,1261 0.04,1262 11.76,1263 5.658,1264 0.19,1265 143.082,1266 0.17,1267 40.702,1268 0.311,1269 244,1270 611.759,1271 288.081,1272 606.937,1273 823.37,1274 570,1275 286,1276 573.443,1277 329.649,1278 596.342,1279 876.88,1280 563,1281 8.1}
{0 CHEMBL1083880,1 1.494,2 16.804,3 6.396,4 40.905,5 185.587,6 7.032,7 0.412,8 4.584,9 4.712,10 4.132,11 4.153,12 5.571,13 4.096,14 5.175,15 5.365,16 4.527,17 4.591,18 6.108,19 4.503,20 5.484,21 5.711,22 4.587,23 4.741,24 6.401,25 4.617,26 5.594,27 5.842,28 4.548,29 4.728,30 6.556,31 4.6,32 5.565,33 5.809,34 4.535,35 4.711,36 6.596,37 4.586,38 5.552,39 5.782,40 4.571,41 4.788,42 6.454,43 4.647,44 5.667,45 5.93,46 4.506,47 4.818,48 6.505,49 4.66,50 5.648,51 5.913,52 4.526,53 4.806,54 6.505,55 4.662,56 0.065,57 1.337,58 20.975,59 8.914,60 11.452,61 12.081,62 0.406,63 2.276,64 40.884,65 15.254,66 36.401,67 21.189,68 0.634,69 2.878,70 59.502,71 20.867,72 61.066,73 28.912,74 0.622,75 2.978,76 66.658,77 22.672,78 92.612,79 31.065,80 1.028,81 2.894,82 67.418,83 21.764,84 147.959,85 29.236,86 0.585,87 3.01,88 65.475,89 22.958,90 79.582,91 31.193,92 0.627,93 3.223,94 72.195,95 25.783,96 87.379,97 35.843,98 0.703,99 3.167,100 68.707,101 24.316,102 91.75,103 34.212,104 26,105 72,106 0.221,107 0.515,108 0.722,109 0.845,110 0.854,111 0.854,112 3.853,113 1.025,114 -4.74,115 -4.66,116 -4.37,119 40.7,120 1,121 7,124 1,125 5,126 1,127 1,132 11,133 3,140 1,141 3,144 3,155 18,157 1,158 3,160 2,162 4,163 22,165 3,166 7,168 1,169 1,170 8,173 14,176 9,181 5,183 8,185 2,186 8,189 2,191 6,193 13,195 1,196 9,200 7,203 17,205 1,206 10,211 4,214 15,218 12,221 2,223 4,224 21,227 9,231 3,234 20,238 5680,239 31.161,240 31.161,241 31.161,242 31.161,243 31.161,244 28.299,245 32.003,246 18.286,247 31.7,248 25.143,249 25.143,250 25.143,251 25.143,252 25.143,253 20.763,254 36.524,255 8.66,256 26.006,257 5.014,258 3.017,259 1.619,260 0.78,261 0.72,262 0.72,263 4.56,267 1,268 1701,269 5.05,271 456.236,272 548.229,274 250.089,277 2.665,278 44.211,280 0.75,281 0.5,282 0.67,283 0.9,284 0.5,285 0.67,286 0.5,287 0.64,288 97.5,289 773,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.715,301 6.58,302 4.035,303 3.072,304 3.972,305 1.2,306 10.277,307 2.956,308 4.38,309 3.538,310 6.351,311 3.994,312 3.048,313 3.689,314 1.058,315 9.799,316 2.881,317 3.937,318 2.957,319 5.817,320 3.656,321 2.671,322 3.455,323 0.8,324 7.881,325 2.634,326 3.886,327 2.892,328 5.68,329 3.523,330 2.595,331 3.307,332 0.293,333 7.733,334 2.475,335 3.734,336 2.857,337 5.605,338 3.503,339 2.512,340 2.909,341 0.248,342 7.545,343 2.404,344 3.49,345 2.701,346 5.291,347 3.254,348 2.294,349 2.815,351 6.697,352 2.214,353 3.444,354 2.636,355 5.142,356 3.169,357 2.22,358 2.511,360 6.285,361 2.087,362 3.367,363 2.363,364 4.957,365 3.075,366 2.077,367 2.422,369 5.787,370 2.066,371 3.03,372 2.268,373 4.709,374 2.692,375 1.675,376 2.289,378 4.327,379 1.694,380 2.966,381 2.146,382 4.402,383 2.468,384 1.53,385 2.06,387 4.267,388 1.459,389 2.815,390 1.646,391 4.396,392 2.463,393 1.482,394 1.856,396 3.947,397 1.405,398 2.694,399 1.522,400 4.176,401 2.401,402 1.416,403 1.707,405 3.381,406 1.387,407 2.643,408 1.5,409 3.618,410 2.265,411 1.295,412 1.622,414 3.058,415 1.243,416 2.56,417 1.418,418 3.61,419 2.108,420 1.133,421 1.583,423 2.561,424 1.101,425 22.333,426 0.486,427 1.138,428 0.025,429 52,430 1.13,431 22.5,432 0.489,433 29.5,434 0.641,435 55.267,436 1.201,437 50.267,438 0.552,439 44.365,440 0.964,441 9.639,442 0.21,443 12.653,444 0.275,445 0.09,446 0.022,447 0.278,450 0.707,451 1.343,452 0.825,453 1.063,454 0.525,455 1.014,456 0.765,457 1.101,458 0.895,459 0.944,460 0.504,461 0.96,462 0.891,463 1.071,464 1.028,465 1.093,466 0.817,467 1.074,468 1.39,469 1.065,470 0.985,471 0.989,472 1.487,473 0.979,474 1.625,475 0.862,476 1.116,477 0.869,478 1.737,479 0.89,480 1.114,481 1.121,482 1.15,483 1.152,484 1.079,485 1.112,486 0.941,487 1.043,488 1.005,489 1.034,490 0.939,491 1.012,492 1.075,493 0.864,494 0.887,495 0.847,496 1.04,497 0.91,498 10,499 0.253,500 5.556,501 3.292,502 2.757,503 1.302,504 1.138,505 0.814,506 0.565,507 0.461,508 42882,509 97305,510 2.112,511 49.5,512 7,513 25,514 1,516 2,518 10,520 1.835,521 1.993,522 3.977,523 0.062,527 135.962,528 1.494,529 3.491,530 4.889,531 5.727,532 5.788,533 5.788,534 3.488,535 5.203,536 5.493,537 4.234,538 4382.37,539 9.757,540 87624.5,544 592.209,545 1.434,546 5.459,547 0.196,548 0.004,549 0.077,550 0.046,551 0.041,552 0.019,553 0.016,554 0.012,555 0.008,556 0.007,557 0.427,558 0.17,559 0.63,560 0.468,561 273.535,562 -0.007,563 -0.134,564 0.072,565 -0.001,566 -0.008,567 0.02,568 0.083,569 0.049,570 0.062,571 0.065,572 0.07,573 0.033,574 0.079,575 -0.009,576 -0.028,577 -0.095,578 0.021,579 -0.09,580 -0.086,581 -0.088,582 0.007,583 -0.036,584 -0.073,585 -0.018,586 -0.076,587 0.136,588 -0.042,589 0.106,590 -0.037,591 0.056,592 -0.077,593 -0.088,594 -0.102,595 -0.12,596 -0.054,597 -0.119,598 -0.01,599 -0.08,600 -0.028,601 -0.053,602 -0.008,603 -0.021,604 -0.06,605 0.104,606 0.026,607 0.079,608 -0.046,609 0.061,610 2.14,611 7.066,612 0.674,613 67.257,614 0.992,615 1.125,616 3.512,617 12.332,618 0.662,619 3.951,620 4.29,621 4.564,622 4.804,623 4.949,624 4.997,625 5.094,626 5.231,627 5.263,628 5.328,629 10.037,630 0.615,631 639.94,632 3.951,633 5.509,634 6.365,635 7.246,636 8.116,637 9.001,638 9.877,639 10.764,640 11.644,641 12.532,642 5.5,645 1,648 3,649 1,653 2,654 12,658 1,659 4,660 1,661 21,662 1,663 1,670 91,672 24,673 2,674 51,676 96,677 37,678 18,679 4,680 8,681 2,683 6,684 7,688 1,691 4,692 1,694 8,696 21,697 16,698 1,699 3,703 3,707 3,713 45,714 7,715 2,716 9,717 1,720 5,721 0.833,722 3,729 1,732 3,733 3,735 1,742 1,749 1,753 5,755 1,757 2,761 46,766 12,767 2,770 1,771 2,772 1,774 1,778 3.3,781 3,785 23.083,786 16.6,787 10.014,788 5.832,789 2.434,790 1.291,791 0.983,792 10.493,793 10.785,794 4.182,795 4.736,796 5.265,797 5.774,798 6.15,799 6.357,800 6.617,801 6.959,802 6.907,803 6.988,804 1,805 71,806 17.257,807 7.507,808 7.618,809 33.688,810 28.742,811 2.118,812 97.417,815 506.157,816 217.975,817 44.169,819 75.435,821 31.278,822 186.697,823 581.592,824 44.169,825 17.222,826 67.416,827 113.286,828 89.549,829 13.968,830 16.632,831 525.664,833 506.157,834 230.866,835 75.435,836 31.278,838 388.446,839 193.146,841 81.265,842 149.602,844 31.278,845 506.157,846 119.604,847 217.975,850 506.157,851 87.467,852 138.655,853 36.022,854 75.435,855 506.157,856 119.604,857 217.975,859 0.585,860 0.346,861 0.184,862 0.093,863 34,864 15,865 0.115,866 11,867 1,868 1.065,869 5.494,870 480.812,871 0.065,872 31,873 235.329,874 1,878 32.772,879 14.729,880 7.88,881 2.139,882 117.705,883 24.141,887 1.484,888 3.72,889 1.877,890 36.022,891 843.736,892 64.5,896 40.515,900 -0.141,902 90.239,903 102.344,904 0.23,905 0.536,906 0.751,907 0.88,908 0.889,909 0.889,910 5.443,911 2.22,912 6.365,913 6.697,914 4.977,915 5.425,916 2.615,917 7.201,918 4.912,919 6.636,920 2.077,921 7.945,922 6.285,923 4.635,924 5.231,925 1.738,926 8.35,927 4.532,928 7.945,929 1.675,930 9.636,931 5.787,932 6.624,933 7.557,934 3.301,935 11.425,936 6.492,937 9.289,938 1.53,939 11.401,940 4.327,941 7.148,942 8.224,943 3.167,944 13.508,945 6.983,946 10.671,947 1.482,948 13.218,949 4.267,950 8.606,951 10.027,952 4.32,953 16.192,954 8.415,955 12.076,956 1.416,957 15.074,958 3.947,959 9.511,960 11.09,961 4.579,962 18.625,963 9.294,964 13.502,965 1.295,966 16.962,967 3.381,968 10.788,969 12.69,970 5.511,971 21.237,972 10.548,973 3.502,974 1.133,975 18.875,976 3.058,977 11.864,978 13.95,979 5.969,980 23.794,981 11.602,982 3.072,983 13.894,984 20.808,985 2.561,986 13.084,987 15.467,988 6.782,989 26.404,990 12.803,991 3.048,992 10.277,993 22.758,994 4.454,995 14.238,996 16.827,997 7.34,998 29.005,999 13.939,1000 2.671,1001 9.799,1002 24.722,1003 3.972,1004 15.448,1005 18.312,1006 8.09,1007 31.622,1008 15.132,1009 2.595,1010 7.881,1011 26.698,1012 3.689,1013 16.639,1014 19.726,1015 8.7,1016 34.24,1017 16.307,1018 2.512,1019 7.733,1020 28.683,1021 3.455,1022 17.853,1023 21.2,1024 9.415,1025 36.863,1026 17.506,1027 2.294,1028 7.545,1029 30.676,1030 3.307,1031 19.064,1032 22.643,1033 10.052,1034 39.488,1035 18.702,1036 39551,1037 59789,1038 34.383,1039 60.268,1040 77.486,1041 79.062,1042 79.165,1043 76.505,1044 76.422,1045 95.139,1046 11.11,1047 221.329,1048 74.032,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 21.707,1059 1.519,1060 1.55,1061 1.552,1062 1.5,1063 1.498,1064 1.865,1065 0.218,1066 4.34,1067 1.452,1068 4.105,1069 4.122,1070 4.338,1071 4.118,1072 7.435,1073 4.068,1074 4.008,1075 4.049,1076 3.957,1077 3.892,1078 7.426,1079 3.891,1080 3.952,1081 3.993,1082 3.879,1083 3.835,1084 7.424,1085 3.847,1086 3.89,1087 3.931,1088 3.804,1089 3.787,1090 4.851,1091 3.785,1092 3.815,1093 3.884,1094 3.702,1095 3.638,1096 4.768,1097 3.642,1098 3.643,1099 3.708,1100 3.562,1101 3.49,1102 4.746,1103 3.486,1104 3.537,1105 3.566,1106 3.507,1107 3.469,1108 4.365,1109 3.439,1110 3.381,1111 3.45,1112 3.263,1113 3.172,1114 4.313,1115 3.178,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.589,1122 0.087,1123 4.082,1124 0.038,1125 7.627,1126 0.272,1127 4.485,1128 0.067,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.077,1137 2.054,1138 1.391,1139 2.06,1140 1.933,1141 1.901,1142 2.033,1143 2.013,1144 1.279,1145 2.015,1146 1.814,1147 1.752,1148 2.004,1149 1.995,1150 1.211,1151 2.014,1152 1.733,1153 1.695,1154 1.892,1155 1.914,1156 1.198,1157 1.907,1158 1.648,1159 1.6,1160 1.86,1161 1.85,1162 1.188,1163 1.842,1164 1.577,1165 1.507,1166 1.828,1167 1.78,1168 1.1,1169 1.793,1170 1.565,1171 1.505,1172 1.772,1173 1.751,1174 0.876,1175 1.791,1176 1.497,1177 1.464,1178 1.664,1179 1.632,1180 0.835,1181 1.642,1182 4.635,1183 5.969,1184 3.434,1185 7.483,1186 5.733,1187 9.078,1188 7.774,1189 10.717,1191 3.959,1197 9.695,1198 6.601,1201 -0.045,1202 4.362,1203 -0.89,1206 55.974,1207 135.962,1208 317.682,1209 444.897,1210 521.19,1211 526.7,1212 526.7,1213 106.581,1214 8.351,1215 86.68,1216 114.92,1217 33,1218 13.064,1219 4.644,1220 3.858,1221 70.649,1222 267,1223 279,1224 0.119,1225 343.289,1226 599.1,1227 829.385,1228 57007,1230 32.097,1231 0.698,1232 0.604,1233 32.451,1234 27.782,1235 22.292,1236 0.437,1237 0.342,1238 16.505,1239 21.214,1240 16.003,1241 13.231,1242 22.701,1243 17.418,1244 20.306,1245 0.282,1246 0.196,1247 20.948,1248 14.12,1249 17.332,1250 0.182,1251 0.113,1252 18.169,1253 10.75,1254 14.263,1255 0.118,1256 0.066,1257 15.164,1258 8.001,1259 10.655,1260 0.076,1261 0.037,1262 11.426,1263 5.229,1264 0.191,1265 142.205,1266 0.171,1267 40.651,1268 0.313,1269 246,1270 611.668,1271 289.284,1272 617.188,1273 844.9,1274 578,1275 290,1276 602.624,1277 333.739,1278 630.003,1279 924.48,1280 593,1281 8.2}
{0 CHEMBL1083974,1 1.383,2 13.077,3 1.497,4 2.243,5 105.453,6 6.094,7 0.214,8 4.135,9 4.28,10 3.525,11 3.611,12 5.027,13 3.556,14 4.757,15 4.97,16 3.824,17 4.03,18 5.564,19 3.933,20 5.082,21 5.345,22 3.828,23 4.213,24 5.83,25 4.057,26 5.154,27 5.448,28 3.714,29 4.179,30 5.883,31 3.987,32 5.09,33 5.391,34 3.699,35 4.096,36 5.889,37 3.913,38 5.004,39 5.296,40 3.603,41 4.045,42 5.726,43 3.859,44 4.982,45 5.293,46 3.507,47 3.919,48 5.719,49 3.734,50 4.78,51 5.087,52 3.422,53 3.722,54 5.61,55 3.57,56 0.067,57 0.839,58 14.88,59 5.669,60 7.67,61 8.354,62 0.299,63 1.356,64 27.612,65 9.257,66 19.309,67 14.116,68 0.388,69 1.68,70 37.251,71 12.563,72 31.592,73 19.126,74 0.371,75 1.663,76 39.265,77 13.145,78 41.473,79 20.199,80 0.561,81 1.54,82 37.132,83 12.005,84 58.384,85 18.526,86 0.304,87 1.455,88 33.809,89 11.277,90 32.348,91 17.433,92 0.364,93 1.329,94 33.195,95 10.063,96 38.987,97 15.936,98 0.425,99 1.076,100 27.519,101 8.016,102 39.292,103 12.575,104 5,105 36,106 0.23,107 0.505,108 0.715,109 0.806,110 0.814,111 0.814,112 3.303,113 1.08,114 -3.16,115 -3.16,116 -3.03,119 35.6,121 5,122 1,125 7,126 1,132 5,133 1,144 1,148 1,149 1,150 1,155 10,157 1,158 5,162 2,163 10,164 2,165 1,166 5,170 2,173 7,174 2,181 2,183 4,184 2,185 2,186 4,188 2,189 2,191 2,193 4,194 2,196 5,200 1,203 3,204 1,206 5,214 2,217 1,218 7,220 1,221 1,224 3,227 3,234 2,238 1100,239 17.775,240 17.775,241 17.775,242 17.775,243 17.775,244 16.894,245 21.97,246 10.974,247 18.145,248 13.86,249 13.86,250 13.86,251 13.86,252 13.86,253 12.554,254 23.392,255 5.296,256 14.404,257 4.499,258 2.844,259 1.578,260 1.03,261 0.983,262 0.983,263 3.989,266 1,267 1,268 727,269 3.464,272 304.053,277 2.237,278 20.924,280 1,281 1,282 1,283 1,284 1,285 1,286 1,287 1,288 55.5,289 340,290 3.973,291 3.719,292 6.032,293 3.794,294 2.84,295 3.455,296 1.94,297 8.606,298 2.713,299 3.92,300 2.921,301 5.565,302 3.621,303 2.637,304 3.113,305 0.86,306 7.632,307 2.598,308 3.644,309 2.823,310 5.483,311 3.566,312 2.588,313 2.654,314 0.8,315 7.387,316 2.527,317 3.292,318 2.558,319 5.036,320 3.183,321 2.221,322 2.349,323 0.555,324 6.082,325 2.136,326 3.209,327 2.241,328 4.82,329 3.071,330 2.104,331 2.236,333 5.511,334 2.022,335 2.83,336 2.175,337 4.146,338 2.477,339 1.512,340 1.936,342 3.72,343 1.459,344 2.597,345 1.893,346 3.591,347 2.372,348 1.417,349 1.565,351 3.034,352 1.349,353 2.5,354 1.511,355 3.57,356 2.239,357 1.31,358 1.5,360 2.975,361 1.191,362 2.382,363 1.2,364 3.414,365 2,366 1,367 1.37,369 2.275,370 1,371 2,372 1.146,373 3.247,374 1.969,375 1,376 1,378 2.136,379 0.965,380 2,381 1.03,382 3.247,383 1.967,384 1,385 1,387 2.136,388 0.963,389 1.642,390 1,391 3.006,392 1.464,393 0.451,394 0.496,396 1.031,397 0.453,398 1.103,399 0.355,400 2.772,401 1.007,402 0.047,403 0.048,405 0.118,406 0.044,407 1.017,408 0.103,409 2.405,410 0.767,411 -0.221,412 -0.255,414 -0.518,415 -0.217,416 0.5,417 -0.174,418 2,419 0.392,420 -0.585,421 -0.601,423 -1.304,424 -0.568,425 12.367,426 0.476,427 0.468,428 0.018,429 24,430 0.923,431 7.5,432 0.288,433 16.5,434 0.635,435 27.269,436 1.049,437 30.833,438 0.523,439 15.489,440 0.596,441 4.437,442 0.171,443 8.267,444 0.318,445 0.059,447 0.226,450 0.849,451 1.54,452 1.004,453 1.327,454 0.702,455 1.197,456 1.186,457 1.217,458 1.152,459 1.129,460 0.703,461 1.128,462 1.091,463 1.058,464 1.144,465 1.088,466 0.993,467 1.112,468 0.96,469 1.065,470 1.009,471 1.047,472 1.249,473 1.037,474 0.888,475 0.867,476 0.932,477 0.88,478 1.118,479 0.909,480 0.896,481 1.088,482 1.009,483 1.068,484 1.052,485 1.051,486 1.144,487 0.951,488 0.948,489 0.904,490 1.046,491 0.899,492 1.359,493 0.714,494 0.905,495 0.709,496 1.463,497 0.745,498 4.5,499 0.099,500 2,501 1.125,502 0.964,503 0.451,504 0.402,505 0.339,506 0.218,507 0.06,508 9482,509 19008,510 2.082,511 55.9,513 20,516 2,517 2,518 9,520 1.683,521 2,522 3.672,523 0.213,525 1,527 81.617,528 1.383,529 3.039,530 4.305,531 4.853,532 4.9,533 4.9,534 3.104,535 3.547,536 4.67,537 3.848,538 1250.75,539 8.051,540 16883.6,542 1,543 1,544 347.076,545 1.14,546 4.655,547 0.161,548 0.006,549 0.056,550 0.033,551 0.033,552 0.016,553 0.015,554 0.015,555 0.01,556 0.003,557 0.347,558 0.5,559 1,560 0.465,561 131.622,562 -0.003,563 -0.167,564 0.059,565 -0.061,566 -0.022,567 -0.003,568 -0.073,569 -0.016,570 -0.097,571 -0.039,572 -0.018,573 -0.066,574 -0.106,575 0.004,576 -0.141,577 -0.073,578 -0.078,579 -0.105,580 -0.049,581 -0.111,582 -0.043,583 -0.075,584 -0.057,585 -0.061,586 0.121,587 0.077,588 0.046,589 0.058,590 0.089,591 0.041,592 -0.036,593 -0.113,594 -0.043,595 -0.092,596 -0.035,597 -0.071,598 -0.053,599 -0.04,600 0.034,602 -0.003,603 0.026,604 0.002,605 0.197,606 0.113,607 0.167,608 0.005,609 0.156,610 1.403,611 5.487,612 0.692,613 29.254,614 0.987,615 1.138,616 1.934,617 3.74,618 0.616,619 3.367,620 3.611,621 3.784,622 3.951,623 4.127,624 4.007,625 4.078,626 4.143,627 4.143,628 4.143,629 7.624,630 0.566,631 359.57,632 3.367,633 4.86,634 5.659,635 6.485,636 7.296,637 8.124,638 8.94,639 9.77,640 10.588,641 11.418,642 5.1,643 1,645 1,648 1,654 5,659 1,661 6,670 59,672 7,673 1,674 28,676 61,677 21,678 6,679 1,680 5,683 3,684 3,691 2,692 1,694 6,696 7,697 14,698 1,699 1,703 1,707 1,710 1,713 33,714 5,715 2,716 5,720 3,721 1,722 2,733 3,743 1,747 1,749 1,752 1,753 3,761 26,762 1,766 12,768 1,770 2,771 2,778 3.4,781 1,782 1,785 13,786 9.9,787 5.861,788 3.814,789 0.887,790 1.129,791 0.94,792 7.629,793 7.783,794 3.497,795 3.861,796 4.171,797 4.484,798 4.824,799 4.547,800 4.651,801 4.769,802 4.715,803 4.813,804 0.889,805 34,806 9.725,807 4.029,808 7.519,809 19.441,810 16.262,811 2.019,812 52.5,815 364.904,816 87.657,817 39.146,819 36.145,822 87.657,823 401.049,824 39.146,826 68.407,827 47.381,828 40.849,829 6.31,831 364.904,833 364.904,834 126.803,835 36.145,838 258.964,839 131.085,840 11,841 71.532,842 55.271,845 364.904,846 75.291,847 87.657,850 364.904,851 40.276,852 53.63,854 69.042,855 364.904,856 75.291,857 87.657,859 0.563,860 0.312,861 0.161,862 0.088,863 15,864 6,865 0.115,866 7,868 1,869 4.043,870 196.37,872 18,873 110.211,878 19.5,879 10.172,880 6.453,882 75.291,883 10.277,888 1.245,890 32.897,891 527.852,892 32,896 12.487,900 0.263,902 58.214,903 67.142,904 0.235,905 0.517,906 0.732,907 0.825,908 0.833,909 0.833,910 4.714,911 1.31,912 5.587,913 3.034,914 4.29,915 4.543,916 2.315,917 6.267,918 4.222,919 5.797,920 1,921 7.06,922 2.975,923 3.611,924 3.922,925 1.738,926 6.862,927 3.515,928 7.014,929 1,930 8.627,931 2.275,932 5.759,933 6.327,934 3.044,935 9.898,936 5.627,937 8.251,938 1,939 10.25,940 2.136,941 5.889,942 6.481,943 3.144,944 11.317,945 5.732,946 9.522,947 0.451,948 11.909,949 2.136,950 7.466,951 8.402,952 4.149,953 13.812,954 7.271,955 10.812,956 0.047,957 13.593,958 1.031,959 7.996,960 8.925,961 4.541,962 15.589,963 7.774,964 12.118,965 -0.221,966 15.295,967 0.118,968 9.298,969 10.633,970 5.385,971 17.868,972 9.039,973 2.84,974 -0.585,975 17.01,976 -0.518,977 10.045,978 11.357,979 5.912,980 19.819,981 9.754,982 2.637,983 8.606,984 18.734,985 -1.304,986 11.206,987 12.946,988 6.67,989 22.007,990 10.878,991 2.588,992 7.632,993 20.467,994 3.455,995 12.073,996 13.796,997 7.263,998 24.045,999 11.71,1000 2.221,1001 7.387,1002 22.206,1003 3.113,1004 13.161,1005 15.308,1006 7.976,1007 26.195,1008 12.761,1009 2.104,1010 6.082,1011 23.951,1012 2.654,1013 14.096,1014 16.246,1015 8.602,1016 28.278,1017 13.657,1018 1.512,1019 5.511,1020 25.7,1021 2.349,1022 15.147,1023 17.698,1024 9.292,1025 30.415,1026 14.67,1027 1.417,1028 3.72,1029 27.453,1030 2.236,1031 16.12,1032 18.703,1033 9.936,1034 32.522,1035 15.602,1036 9065,1037 12893,1038 19.068,1039 36.347,1040 40.545,1041 41.455,1042 41.001,1043 40.296,1044 40.254,1045 45.443,1046 8.312,1047 105.28,1048 38.842,1049 4.973,1050 5.719,1051 5.834,1052 4.869,1053 4.84,1054 6.455,1055 3.348,1056 14.585,1057 4.713,1058 9.092,1059 1.448,1060 1.481,1061 1.464,1062 1.439,1063 1.438,1064 1.623,1065 0.297,1066 3.76,1067 1.387,1068 3.962,1069 4.012,1070 3.869,1071 3.877,1072 7.427,1073 3.869,1074 3.894,1075 3.941,1076 3.794,1077 3.744,1078 5.005,1079 3.747,1080 3.776,1081 3.827,1082 3.66,1083 3.608,1084 4.736,1085 3.612,1086 3.636,1087 3.702,1088 3.495,1089 3.476,1090 4.615,1091 3.471,1092 3.358,1093 3.42,1094 3.245,1095 3.141,1096 4.33,1097 3.153,1098 3.138,1099 3.214,1100 2.956,1101 2.941,1102 3.891,1103 2.913,1104 3.111,1105 3.206,1106 2.866,1107 2.941,1108 3.809,1109 2.91,1110 3.111,1111 3.206,1112 2.866,1113 2.914,1114 3.674,1115 2.91,1116 0.142,1117 0.133,1118 0.215,1119 0.136,1120 0.101,1121 3.973,1122 0.123,1123 3.719,1124 0.069,1125 6.032,1126 0.307,1127 3.794,1128 0.097,1129 2.84,1130 3.455,1131 1.94,1132 8.606,1133 2.713,1134 1.93,1135 1.898,1136 2.073,1137 2.064,1138 1.437,1139 2.067,1140 1.858,1141 1.802,1142 2.058,1143 2.019,1144 1.325,1145 2.037,1146 1.743,1147 1.69,1148 1.949,1149 1.941,1150 1.247,1151 1.948,1152 1.627,1153 1.562,1154 1.861,1155 1.817,1156 1.067,1157 1.835,1158 1.297,1159 1.238,1160 1.546,1161 1.556,1162 0.825,1163 1.55,1164 1.153,1165 1.064,1166 1.513,1167 1.38,1168 0.825,1169 1.429,1170 1.153,1171 1.064,1172 1.513,1173 1.376,1174 0.754,1175 1.429,1176 1.115,1177 1.039,1178 1.439,1179 1.376,1180 0.699,1181 1.404,1182 4.043,1183 5.303,1185 6.751,1187 8.274,1189 9.832,1195 6.221,1197 11.213,1199 5.439,1201 0.818,1202 4.538,1206 33.396,1207 81.617,1208 179.281,1209 253.982,1210 286.321,1211 289.076,1212 289.076,1213 50.214,1214 6.896,1215 58.8,1216 58.8,1217 18,1218 11.994,1219 3,1220 2.322,1221 44.744,1222 119,1223 104,1224 0.178,1225 206.695,1226 363.9,1227 496.096,1228 9654,1230 18.192,1231 0.7,1232 0.608,1233 18.192,1234 15.815,1235 12.704,1236 0.454,1237 0.36,1238 9.954,1239 12.248,1240 9.761,1241 8.024,1242 12.704,1243 10.079,1244 10.92,1245 0.303,1246 0.215,1247 10.92,1248 7.726,1249 8.663,1250 0.201,1251 0.131,1252 8.663,1253 5.652,1254 6.78,1255 0.133,1256 0.078,1257 6.78,1258 3.96,1259 5.425,1260 0.089,1261 0.047,1262 5.425,1263 2.852,1264 0.292,1265 79.274,1266 0.229,1267 26.074,1268 0.456,1269 128,1270 306.074,1271 138.616,1272 290.236,1273 387.33,1274 274,1275 143,1276 265.836,1277 153.868,1278 268.469,1279 387.17,1280 253,1281 7.9}
{0 CHEMBL1084158,1 1.52,2 17.457,3 5.03,4 25.3,5 183.426,6 6.946,7 0.314,8 4.61,9 4.737,10 4.145,11 4.148,12 5.567,13 4.095,14 5.222,15 5.414,16 4.534,17 4.59,18 6.138,19 4.503,20 5.536,21 5.769,22 4.599,23 4.75,24 6.419,25 4.626,26 5.627,27 5.882,28 4.543,29 4.73,30 6.561,31 4.602,32 5.589,33 5.832,34 4.551,35 4.721,36 6.622,37 4.593,38 5.593,39 5.832,40 4.577,41 4.797,42 6.457,43 4.651,44 5.706,45 5.973,46 4.526,47 4.821,48 6.53,49 4.668,50 5.661,51 5.92,52 4.538,53 4.809,54 6.524,55 4.667,56 0.056,57 1.373,58 22.05,59 9.201,60 9.785,61 12.494,62 0.548,63 2.325,64 43.921,65 15.77,66 41.369,67 21.915,68 0.701,69 2.937,70 63.481,71 21.131,72 61.113,73 29.814,74 0.74,75 2.99,76 69.532,77 22.255,78 93.349,79 31.28,80 1.21,81 2.882,82 69.104,83 22.052,84 153.725,85 30.148,86 0.556,87 3.032,88 68.504,89 23.744,90 77.17,91 32.814,92 0.763,93 3.23,94 75.692,95 25.507,96 90.086,97 36.019,98 0.816,99 3.131,100 69.752,101 24.015,102 92.824,103 34.074,104 17,105 71,106 0.225,107 0.501,108 0.704,109 0.829,110 0.838,111 0.838,112 3.853,113 1.042,114 -4.11,115 -4.05,116 -3.84,119 38.7,120 1,121 7,125 9,126 1,127 1,132 9,133 3,141 2,144 2,145 1,155 17,157 3,158 1,160 2,162 4,163 22,165 2,166 5,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 5,186 8,189 2,191 6,193 13,196 8,200 7,203 17,205 1,206 10,211 4,214 15,217 1,218 12,221 2,223 4,224 20,227 8,231 3,234 18,238 5716,239 31.368,240 31.368,241 31.368,242 31.368,243 31.368,244 29.142,245 34.45,246 18.627,247 32.077,248 25.176,249 25.176,250 25.176,251 25.176,252 25.176,253 21.683,254 39.806,255 8.863,256 26.279,257 5.019,258 3.152,259 1.775,260 0.928,261 0.868,262 0.868,263 4.562,267 1,268 1769,269 5,271 286.236,272 747.959,274 249.934,277 2.603,278 47.972,280 0.75,281 0.33,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.78,288 98.5,289 803,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.794,301 6.391,302 3.994,303 3.048,304 3.689,305 1.741,306 9.799,307 2.881,308 4.113,309 3.538,310 6.351,311 3.912,312 2.974,313 3.455,314 1.058,315 9.667,316 2.78,317 3.937,318 2.957,319 5.817,320 3.655,321 2.669,322 3.307,323 0.86,324 7.88,325 2.633,326 3.886,327 2.893,328 5.606,329 3.503,330 2.514,331 3.272,332 0.8,333 7.733,334 2.475,335 3.537,336 2.857,337 5.412,338 3.438,339 2.511,340 2.815,341 0.693,342 7.095,343 2.325,344 3.485,345 2.701,346 5.15,347 3.23,348 2.252,349 2.549,350 0.343,351 6.296,352 2.194,353 3.4,354 2.593,355 5.125,356 3.076,357 2.11,358 2.462,359 0.248,360 6.111,361 2.068,362 3.132,363 2.363,364 4.957,365 3.022,366 2.076,367 2.289,369 5.787,370 1.923,371 3.03,372 2.271,373 4.709,374 2.691,375 1.674,376 2.135,378 4.326,379 1.692,380 2.965,381 2.182,382 4.402,383 2.463,384 1.53,385 2.06,387 4.266,388 1.442,389 2.808,390 1.906,391 4.176,392 2.451,393 1.511,394 1.845,396 3.381,397 1.405,398 2.643,399 1.646,400 3.904,401 2.388,402 1.429,403 1.622,405 3.331,406 1.34,407 2.586,408 1.522,409 3.618,410 2.266,411 1.301,412 1.559,414 3.056,415 1.241,416 2.5,417 1.5,418 3.605,419 2.064,420 1.096,421 1.5,423 2.544,424 1.048,425 22.167,426 0.482,427 1.048,428 0.023,429 48.5,430 1.054,431 18.5,432 0.402,433 30,434 0.652,435 57.681,436 1.254,437 51.633,438 0.555,439 41.131,440 0.894,441 8.933,442 0.194,443 13.449,444 0.292,445 0.068,446 0.023,447 0.257,450 0.737,451 1.415,452 0.833,453 1.127,454 0.527,455 1.057,456 0.872,457 1.081,458 0.935,459 0.954,460 0.54,461 0.988,462 0.948,463 1.091,464 1.028,465 1.073,466 0.827,467 1.061,468 1.325,469 1.015,470 0.999,471 0.944,472 1.57,473 0.957,474 1.304,475 0.858,476 1.092,477 0.897,478 1.637,479 0.921,480 0.932,481 1.153,482 1.079,483 1.157,484 1.008,485 1.098,486 0.988,487 0.985,488 0.992,489 0.975,490 0.935,491 0.963,492 1.043,493 0.893,494 0.916,495 0.873,496 1.055,497 0.947,498 9.5,499 0.253,500 5.111,501 3.104,502 2.628,503 1.212,504 1.127,505 0.789,506 0.546,507 0.442,508 43165,509 98411,510 2.125,511 50.5,512 7,513 28,516 2,518 10,520 1.835,521 2.022,522 4.024,523 0.083,527 141.349,528 1.52,529 3.388,530 4.764,531 5.612,532 5.671,533 5.671,534 3.485,535 5.116,536 5.493,537 4.248,538 4397,539 9.756,540 88015.7,544 608.142,545 1.352,546 5.466,547 0.186,548 0.004,549 0.072,550 0.044,551 0.039,552 0.018,553 0.016,554 0.011,555 0.008,556 0.006,557 0.405,558 0.33,559 0.75,560 0.426,561 273.722,562 -0.009,563 -0.163,564 0.077,565 -0.021,567 0.012,568 0.074,569 0.082,570 0.035,571 0.069,572 0.058,573 0.015,574 0.014,575 -0.024,576 -0.029,577 -0.075,578 -0.002,579 -0.074,580 -0.122,581 -0.026,582 -0.011,583 -0.001,584 -0.114,585 -0.001,586 0.038,587 0.143,588 -0.032,589 0.086,590 0.022,591 0.037,592 -0.043,593 -0.129,594 -0.047,595 -0.111,596 -0.024,597 -0.086,598 -0.042,599 -0.018,600 -0.015,601 -0.004,602 -0.011,603 0.021,604 -0.058,605 0.089,606 -0.007,607 0.059,608 -0.056,609 0.029,610 2.137,611 7.065,612 0.696,613 68.176,614 0.994,615 1.129,616 2.877,617 8.279,618 0.65,619 3.951,620 4.277,621 4.543,622 4.779,623 4.963,624 4.99,625 5.094,626 5.22,627 5.252,628 5.328,629 10.09,630 0.604,631 645.95,632 3.951,633 5.501,634 6.351,635 7.226,636 8.092,637 8.971,638 9.844,639 10.726,640 11.603,641 12.488,642 5.4,645 1,648 4,653 2,654 9,658 1,659 3,661 16,662 1,670 93,672 19,673 2,674 51,676 98,677 36,678 14,679 4,680 8,681 1,683 6,684 7,687 1,688 1,691 4,692 1,694 8,696 17,697 19,698 1,699 3,703 3,707 3,713 47,714 9,715 2,716 10,717 1,720 5,721 0.833,722 4,732 2,733 4,735 1,742 1,749 1,752 1,753 5,755 1,757 1,761 46,766 16,767 2,768 1,770 1,771 3,772 1,774 1,778 4.3,781 3,782 1,785 22.75,786 16.517,787 10.069,788 6.064,789 2.072,790 1.248,791 0.973,792 11.186,793 10.423,794 4.143,795 4.652,796 5.142,797 5.624,798 6.068,799 6.272,800 6.553,801 6.908,802 6.845,803 6.923,804 0.917,805 71,806 17.296,807 7.518,808 7.614,809 33.885,810 28.955,811 2.114,812 97.25,815 529.7,816 191.789,817 45.394,819 86.435,821 31.278,822 160.511,823 616.134,824 45.394,825 8.825,826 83.937,827 85.286,828 95.844,829 12.068,830 6.38,831 560.977,833 529.7,834 205.906,835 86.435,836 31.278,838 411.989,839 193.146,840 11,841 95.886,842 110.02,844 31.278,845 529.7,846 131.829,847 191.789,850 529.7,851 97.678,852 103.484,853 36.022,854 86.435,855 529.7,856 131.829,857 191.789,859 0.581,860 0.34,861 0.181,862 0.096,863 33,864 14,865 0.102,866 10,867 1,868 1.063,869 5.53,870 478.451,871 0.063,872 32,873 238.084,874 1,878 33.234,879 15.483,880 8.441,881 2.141,882 131.829,883 18.464,887 1.485,888 2.999,890 36.022,891 853.318,892 62,896 40.477,900 -0.1,902 92.45,903 104.968,904 0.232,905 0.518,906 0.728,907 0.858,908 0.867,909 0.867,910 5.407,911 2.11,912 6.34,913 6.296,914 4.963,915 5.34,916 2.91,917 7.163,918 4.884,919 6.575,920 2.076,921 7.909,922 6.111,923 4.575,924 5.112,925 2.125,926 8.298,927 4.465,928 7.872,929 1.674,930 9.592,931 5.787,932 6.594,933 7.413,934 3.615,935 11.371,936 6.441,937 9.204,938 1.53,939 11.35,940 4.326,941 7.083,942 8.051,943 3.564,944 13.458,945 6.905,946 10.574,947 1.511,948 13.163,949 4.266,950 8.562,951 9.848,952 4.643,953 16.143,954 8.347,955 11.971,956 1.429,957 15.017,958 3.381,959 9.447,960 10.893,961 4.931,962 18.586,963 9.212,964 13.388,965 1.301,966 16.904,967 3.331,968 10.735,969 12.498,970 5.81,971 21.203,972 10.471,973 3.502,974 1.096,975 18.818,976 3.056,977 11.802,978 13.751,979 6.265,980 23.767,981 11.522,982 3.048,983 13.894,984 20.753,985 2.544,986 13.029,987 15.277,988 7.041,989 26.382,990 12.728,991 2.974,992 9.799,993 22.706,994 4.454,995 14.18,996 16.64,997 7.584,998 28.987,999 13.865,1000 2.669,1001 9.667,1002 24.673,1003 3.689,1004 15.395,1005 18.136,1006 8.306,1007 31.608,1008 15.063,1009 2.514,1010 7.88,1011 26.652,1012 3.455,1013 16.586,1014 19.558,1015 8.898,1016 34.229,1017 16.242,1018 2.511,1019 7.733,1020 28.64,1021 3.307,1022 17.804,1023 21.045,1024 9.592,1025 36.855,1026 17.446,1027 2.252,1028 7.095,1029 30.637,1030 3.272,1031 19.017,1032 22.499,1033 10.213,1034 39.482,1035 18.647,1036 39765,1037 60243,1038 34.671,1039 60.484,1040 76.658,1041 78.587,1042 78.275,1043 76.024,1044 75.972,1045 90.966,1046 15.4,1047 216.929,1048 73.002,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 19.199,1059 1.503,1060 1.541,1061 1.535,1062 1.491,1063 1.49,1064 1.784,1065 0.302,1066 4.254,1067 1.431,1068 4.102,1069 4.116,1070 4.338,1071 4.118,1072 7.435,1073 4.067,1074 3.974,1075 4.015,1076 3.898,1077 3.886,1078 7.427,1079 3.879,1080 3.891,1081 3.947,1082 3.804,1083 3.789,1084 7.424,1085 3.786,1086 3.882,1087 3.927,1088 3.796,1089 3.68,1090 4.849,1091 3.696,1092 3.751,1093 3.813,1094 3.627,1095 3.552,1096 4.753,1097 3.561,1098 3.636,1099 3.701,1100 3.562,1101 3.47,1102 4.616,1103 3.469,1104 3.537,1105 3.566,1106 3.498,1107 3.466,1108 4.368,1109 3.439,1110 3.384,1111 3.451,1112 3.265,1113 3.17,1114 4.314,1115 3.176,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.589,1122 0.087,1123 4.082,1124 0.038,1125 7.627,1126 0.272,1127 4.485,1128 0.067,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.077,1137 2.06,1138 1.391,1139 2.062,1140 1.933,1141 1.901,1142 2.033,1143 2.022,1144 1.282,1145 2.023,1146 1.814,1147 1.749,1148 2.006,1149 1.995,1150 1.211,1151 2.015,1152 1.736,1153 1.696,1154 1.919,1155 1.935,1156 1.2,1157 1.934,1158 1.688,1159 1.634,1160 1.877,1161 1.908,1162 1.188,1163 1.899,1164 1.608,1165 1.554,1166 1.86,1167 1.79,1168 1.185,1169 1.808,1170 1.577,1171 1.507,1172 1.822,1173 1.751,1174 1.096,1175 1.793,1176 1.479,1177 1.467,1178 1.609,1179 1.598,1180 0.843,1181 1.606,1182 4.635,1183 5.958,1184 3.045,1185 7.469,1186 5.352,1187 9.062,1188 7.424,1189 10.697,1191 2.054,1197 12.362,1198 6.604,1199 5.397,1201 -0.041,1202 6.296,1203 -0.887,1206 56.216,1207 141.349,1208 315.05,1209 443.025,1210 521.877,1211 527.387,1212 527.387,1213 107.854,1214 8.351,1215 94.22,1216 122.46,1217 34,1218 13.022,1219 4.322,1220 3.585,1221 70.65,1222 268,1223 316,1224 0.118,1225 343.548,1226 606.77,1227 830.017,1228 57441,1230 31.934,1231 0.694,1232 0.604,1233 32.288,1234 27.787,1235 22.382,1236 0.439,1237 0.347,1238 16.767,1239 21.167,1240 16.338,1241 13.415,1242 22.79,1243 17.717,1244 20.132,1245 0.284,1246 0.2,1247 20.774,1248 14.192,1249 17.122,1250 0.184,1251 0.117,1252 17.96,1253 10.852,1254 14.003,1255 0.119,1256 0.069,1257 14.904,1258 8.099,1259 10.989,1260 0.077,1261 0.038,1262 11.76,1263 5.442,1264 0.19,1265 143.657,1266 0.17,1267 40.702,1268 0.311,1269 244,1270 631.404,1271 290.662,1272 623.828,1273 846.85,1274 586,1275 286,1276 592.26,1277 332.591,1278 614.319,1279 904.72,1280 579,1281 8.3}
{0 CHEMBL1084159,1 1.599,2 17.511,3 5.259,4 27.655,5 187.921,6 7.255,7 0.308,8 4.626,9 4.744,10 4.288,11 4.177,12 5.56,13 4.116,14 5.25,15 5.433,16 4.651,17 4.624,18 6.284,19 4.528,20 5.56,21 5.781,22 4.723,23 4.804,24 6.469,25 4.665,26 5.683,27 5.924,28 4.658,29 4.781,30 6.678,31 4.651,32 5.637,33 5.874,34 4.611,35 4.743,36 6.739,37 4.621,38 5.599,39 5.835,40 4.611,41 4.81,42 6.47,43 4.661,44 5.719,45 5.983,46 4.564,47 4.836,48 6.561,49 4.681,50 5.675,51 5.931,52 4.575,53 4.825,54 6.555,55 4.68,56 0.104,57 1.422,58 25.278,59 9.496,60 17.365,61 12.524,62 0.739,63 2.399,64 46.453,65 16.679,66 76.178,67 22.137,68 0.721,69 3.071,70 73.464,71 23.817,72 71.915,73 30.738,74 0.967,75 3.153,76 82.868,77 24.744,78 135.837,79 32.308,80 1.531,81 2.963,82 73.751,83 22.917,84 199.837,85 30.526,86 0.554,87 3.065,88 70.833,89 24.524,90 85.316,91 33.037,92 0.821,93 3.276,94 79.801,95 26.492,96 106.353,97 36.38,98 0.876,99 3.177,100 73.343,101 24.927,102 108.555,103 34.394,104 26,105 74,106 0.235,107 0.507,108 0.703,109 0.827,110 0.835,111 0.835,112 3.874,113 1.105,114 -4.34,115 -4.28,116 -4.04,119 37.2,120 1,121 7,125 9,126 1,127 1,132 9,133 3,141 2,144 2,155 17,157 6,158 1,160 2,162 4,163 22,165 2,166 5,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 7,186 8,189 2,191 6,193 13,196 8,200 7,203 17,205 1,206 11,211 4,214 15,217 1,218 13,221 2,223 4,224 20,227 8,231 3,234 18,238 5977,239 31.71,240 31.71,241 31.71,242 31.71,243 31.71,244 29.296,245 36.366,246 18.668,247 32.345,248 25.663,249 25.663,250 25.663,251 25.663,252 25.663,253 21.839,254 48.674,255 8.851,256 26.669,257 4.955,258 3.11,259 1.778,260 0.939,261 0.88,262 0.88,263 4.58,267 1,268 1808,269 5.292,271 294.665,272 766.565,274 257.317,277 2.608,278 59.771,280 0.75,281 0.33,282 0.67,283 0.9,284 1,285 0.5,286 0.5,287 0.66,288 101.5,289 823,290 4.888,291 4.082,292 7.666,293 4.49,294 3.51,295 4.63,296 1.956,297 13.894,298 3.44,299 4.589,300 3.605,301 7.627,302 4.485,303 3.502,304 4.454,305 1.058,306 13.61,307 3.436,308 4.49,309 3.538,310 6.351,311 3.994,312 3.048,313 3.689,314 0.86,315 9.799,316 2.881,317 3.937,318 2.957,319 5.817,320 3.655,321 2.67,322 3.455,323 0.8,324 7.881,325 2.634,326 3.886,327 2.888,328 5.617,329 3.503,330 2.535,331 3.307,332 0.4,333 7.733,334 2.475,335 3.556,336 2.846,337 5.603,338 3.462,339 2.512,340 2.815,341 0.4,342 7.179,343 2.349,344 3.485,345 2.701,346 5.287,347 3.23,348 2.252,349 2.565,350 0.248,351 6.341,352 2.197,353 3.401,354 2.54,355 5.142,356 3.077,357 2.145,358 2.466,360 6.264,361 2.069,362 3.176,363 2.363,364 4.957,365 3.064,366 2.077,367 2.289,369 5.787,370 1.97,371 3.03,372 2.263,373 4.709,374 2.696,375 1.69,376 2.18,378 4.332,379 1.696,380 2.967,381 2.089,382 4.402,383 2.562,384 1.627,385 2.06,387 4.271,388 1.515,389 2.827,390 1.646,391 4.339,392 2.463,393 1.53,394 1.862,396 4.162,397 1.417,398 2.739,399 1.539,400 4.176,401 2.424,402 1.431,403 1.727,405 3.381,406 1.405,407 2.643,408 1.503,409 3.618,410 2.268,411 1.301,412 1.622,414 3.057,415 1.246,416 2.5,417 1.5,418 3.609,419 2.073,420 1.142,421 1.5,423 2.666,424 1.054,425 22.833,426 0.486,427 1.215,428 0.026,429 50.25,430 1.069,431 20,432 0.426,433 30.25,434 0.644,435 59.629,436 1.269,437 53.367,438 0.568,439 43.926,440 0.935,441 9.002,442 0.192,443 13.713,444 0.292,445 0.08,446 0.058,447 0.228,450 0.625,451 1.469,452 0.827,453 1.231,454 0.574,455 1.065,456 0.771,457 1.052,458 0.88,459 0.906,460 0.515,461 0.97,462 0.935,463 1.137,464 1.209,465 1.201,466 0.802,467 1.084,468 1.428,469 1.038,470 1.152,471 1.043,472 1.666,473 0.977,474 1.342,475 0.813,476 0.986,477 0.802,478 1.648,479 0.906,480 0.837,481 1.147,482 1.002,483 1.113,484 0.838,485 1.099,486 0.931,487 0.974,488 0.929,489 0.935,490 0.847,491 0.963,492 0.982,493 0.885,494 0.868,495 0.844,496 0.947,497 0.947,498 11,499 0.286,500 6,501 3.604,502 2.726,503 1.392,504 1.168,505 0.82,506 0.57,507 0.482,508 45164,509 110783,510 2.104,511 50,512 7,513 28,516 2,518 10,520 1.839,521 1.986,522 4.024,523 0.116,527 150.321,528 1.599,529 3.445,530 4.777,531 5.616,532 5.674,533 5.674,534 3.482,535 5.113,536 5.525,537 4.256,538 4600.2,539 9.818,540 93256.1,544 616.131,545 1.458,546 5.486,547 0.212,548 0.004,549 0.081,550 0.048,551 0.038,552 0.02,553 0.017,554 0.012,555 0.008,556 0.007,557 0.447,558 0.17,559 0.5,560 0.462,561 281.132,562 0.068,563 -0.2,564 0.171,565 -0.069,566 -0.06,567 0.013,568 0.184,569 0.113,570 0.075,571 0.104,572 0.167,573 0.025,574 -0.005,575 -0.039,576 -0.068,577 -0.1,578 0.004,579 -0.076,580 -0.162,581 -0.042,582 -0.077,583 -0.045,584 -0.151,585 -0.017,586 0.029,587 0.16,588 -0.044,589 0.102,590 -0.023,591 0.03,592 -0.038,593 -0.13,594 -0.052,595 -0.111,596 -0.016,597 -0.087,598 -0.048,599 -0.017,600 -0.022,601 -0.005,602 -0.017,603 0.019,604 -0.065,605 0.086,606 -0.018,607 0.051,608 -0.056,609 0.026,610 4.373,611 7.07,612 0.681,613 68.614,614 0.998,615 1.129,616 3.113,617 9.691,618 0.655,619 3.97,620 4.317,621 4.585,622 4.812,623 4.99,624 5.03,625 5.13,626 5.231,627 5.263,628 5.347,629 10.166,630 0.608,631 682.01,632 3.97,633 5.533,634 6.389,635 7.274,636 8.147,637 9.036,638 9.916,639 10.808,640 11.692,641 12.585,642 5.3,645 3,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 94,672 20,673 2,674 52,676 99,677 35,678 14,679 4,680 8,681 1,683 6,684 7,688 1,691 4,692 1,694 8,696 16,697 19,698 1,699 4,702 1,703 4,707 2,713 47,714 10,715 2,716 12,717 2,720 5,721 0.833,722 5,732 2,733 4,735 1,742 1,749 1,752 1,753 5,755 2,757 1,761 47,764 1,766 16,767 2,768 1,770 1,771 3,772 1,774 1,778 5.3,781 4,782 1,785 23.667,786 16.6,787 10.181,788 6.044,789 2.078,790 1.248,791 0.977,792 11.325,793 10.464,794 4.174,795 4.725,796 5.188,797 5.653,798 6.087,799 6.295,800 6.57,801 6.912,802 6.85,803 6.931,804 0.917,805 75,806 17.908,807 8.046,808 7.702,809 34.533,810 29.833,811 2.202,812 103.5,815 529.7,816 193.082,817 42.183,819 105.603,821 36.847,822 156.235,823 635.302,824 42.183,825 8.825,826 77.688,827 90.855,828 115.012,829 15.106,830 2.104,831 560.977,833 529.7,834 198.418,835 105.603,836 36.847,838 411.989,839 212.314,840 11,841 92.675,842 105.744,843 5.569,844 31.278,845 529.7,846 147.786,847 193.082,849 5.569,850 529.7,851 93.402,852 100.273,853 36.022,854 105.603,855 529.7,856 147.786,857 193.082,859 0.587,860 0.344,861 0.181,862 0.095,863 35,864 15,865 0.121,866 12,867 1,868 1.063,869 5.534,870 496.46,871 0.063,872 32,873 243.066,874 1,877 1,878 34.472,879 15.441,880 8.436,881 2.113,882 147.786,883 18.306,887 1.47,888 2.939,890 36.022,891 870.567,892 64,895 -3.457,896 53.747,900 -0.279,902 93.854,903 106.098,904 0.244,905 0.526,906 0.729,907 0.857,908 0.866,909 0.866,910 5.451,911 2.145,912 6.405,913 6.341,914 5.004,915 5.414,916 2.558,917 7.272,918 4.934,919 6.65,920 2.077,921 8.008,922 6.264,923 4.745,924 5.421,925 1.668,926 8.589,927 4.664,928 7.985,929 1.69,930 9.735,931 5.787,932 6.701,933 7.613,934 3.211,935 11.659,936 6.575,937 9.363,938 1.627,939 11.545,940 4.332,941 7.314,942 8.493,943 3.128,944 13.876,945 7.182,946 10.784,947 1.53,948 13.414,949 4.271,950 8.772,951 10.227,952 4.267,953 16.589,954 8.605,955 12.235,956 1.431,957 15.325,958 4.162,959 9.756,960 11.466,961 4.561,962 19.09,963 9.58,964 13.71,965 1.301,966 17.267,967 3.381,968 11.052,969 13.052,970 5.487,971 21.728,972 10.85,973 3.51,974 1.142,975 19.232,976 3.057,977 12.19,978 14.443,979 5.961,980 24.312,981 11.975,982 3.502,983 13.894,984 21.214,985 2.666,986 13.44,987 15.979,988 6.773,989 26.935,990 13.204,991 3.048,992 13.61,993 23.208,994 4.63,995 14.64,996 17.436,997 7.337,998 29.544,999 14.389,1000 2.67,1001 9.799,1002 25.212,1003 4.454,1004 15.88,1005 18.956,1006 8.087,1007 32.165,1008 15.611,1009 2.535,1010 7.881,1011 27.222,1012 3.689,1013 17.106,1014 20.444,1015 8.698,1016 34.783,1017 16.821,1018 2.512,1019 7.733,1020 29.239,1021 3.455,1022 18.347,1023 21.96,1024 9.414,1025 37.404,1026 18.044,1027 2.252,1028 7.179,1029 31.259,1030 3.307,1031 19.586,1032 23.463,1033 10.051,1034 40.025,1035 19.266,1036 41733,1037 65612,1038 34.959,1039 61.586,1040 78.321,1041 80.259,1042 80.034,1043 78.073,1044 78.094,1045 94.765,1046 11.445,1047 228.655,1048 75.264,1049 5.888,1050 6.082,1051 7.468,1052 5.612,1053 5.51,1054 7.63,1055 3.429,1056 21.851,1057 5.44,1058 21.789,1059 1.506,1060 1.543,1061 1.539,1062 1.501,1063 1.502,1064 1.822,1065 0.22,1066 4.397,1067 1.447,1068 4.111,1069 4.124,1070 4.73,1071 4.119,1072 7.715,1073 4.068,1074 4.045,1075 4.051,1076 4.338,1077 3.951,1078 7.433,1079 3.891,1080 3.955,1081 3.988,1082 3.889,1083 3.875,1084 7.424,1085 3.835,1086 3.89,1087 3.93,1088 3.804,1089 3.788,1090 6.999,1091 3.784,1092 3.769,1093 3.831,1094 3.663,1095 3.602,1096 4.849,1097 3.593,1098 3.642,1099 3.704,1100 3.563,1101 3.47,1102 4.753,1103 3.469,1104 3.537,1105 3.567,1106 3.523,1107 3.466,1108 4.611,1109 3.439,1110 3.504,1111 3.521,1112 3.47,1113 3.319,1114 4.362,1115 3.286,1116 0.094,1117 0.079,1118 0.147,1119 0.086,1120 0.068,1121 4.888,1122 0.089,1123 4.082,1124 0.038,1125 7.666,1126 0.267,1127 4.49,1128 0.066,1129 3.51,1130 4.63,1131 1.956,1132 13.894,1133 3.44,1134 1.942,1135 1.925,1136 2.077,1137 2.074,1138 1.397,1139 2.091,1140 1.934,1141 1.901,1142 2.033,1143 2.028,1144 1.312,1145 2.044,1146 1.864,1147 1.845,1148 1.996,1149 1.995,1150 1.211,1151 2.015,1152 1.749,1153 1.708,1154 1.904,1155 1.939,1156 1.209,1157 1.947,1158 1.701,1159 1.654,1160 1.877,1161 1.909,1162 1.194,1163 1.899,1164 1.609,1165 1.555,1166 1.86,1167 1.793,1168 1.188,1169 1.811,1170 1.577,1171 1.507,1172 1.821,1173 1.751,1174 1.098,1175 1.793,1176 1.48,1177 1.469,1178 1.608,1179 1.608,1180 0.849,1181 1.62,1182 4.654,1183 5.994,1184 3.045,1185 7.523,1186 5.352,1187 9.137,1188 7.424,1189 10.794,1191 2.045,1197 10.283,1198 6.556,1199 5.33,1201 -0.088,1202 5.451,1203 -0.916,1206 57.118,1207 150.321,1208 323.794,1209 449.015,1210 527.867,1211 533.376,1212 533.376,1213 126.136,1214 8.387,1215 111.29,1216 147.91,1217 34,1218 13.114,1219 4.392,1220 3.7,1221 73.03,1222 277,1223 312,1224 0.118,1225 352.01,1226 619.41,1227 850.664,1228 59634,1230 32.857,1231 0.699,1232 0.615,1233 33.461,1234 28.92,1235 22.715,1236 0.437,1237 0.368,1238 16.925,1239 20.692,1240 16.382,1241 13.437,1242 23.912,1243 19.161,1244 20.968,1245 0.283,1246 0.219,1247 22.929,1248 16.17,1249 17.65,1250 0.182,1251 0.133,1252 19.829,1253 12.917,1254 14.331,1255 0.117,1256 0.079,1257 16.328,1258 9.668,1259 11.138,1260 0.076,1261 0.045,1262 12.812,1263 6.579,1264 0.19,1265 153.921,1266 0.169,1267 41.321,1268 0.312,1269 252,1270 682,1271 341.086,1272 690.014,1273 933.61,1274 642,1275 297,1276 628.304,1277 394.778,1278 687.774,1279 1012.72,1280 647,1281 8.4}
{0 CHEMBL1084160,1 1.586,2 16.045,3 5.571,4 31.037,5 178.846,6 7.191,7 0.333,8 4.56,9 4.683,10 4.219,11 4.119,12 5.508,13 4.049,14 5.17,15 5.363,16 4.583,17 4.561,18 6.214,19 4.458,20 5.472,21 5.686,22 4.634,23 4.737,24 6.428,25 4.597,26 5.64,27 5.891,28 4.536,29 4.711,30 6.638,31 4.578,32 5.537,33 5.776,34 4.505,35 4.684,36 6.581,37 4.545,38 5.557,39 5.807,40 4.532,41 4.739,42 6.432,43 4.582,44 5.616,45 5.88,46 4.492,47 4.757,48 6.477,49 4.603,50 5.584,51 5.828,52 4.529,53 4.78,54 6.492,55 4.636,56 0.118,57 1.349,58 24.282,59 8.922,60 18.183,61 11.937,62 0.703,63 2.251,64 43.564,65 15.584,66 72.348,67 20.97,68 0.556,69 2.855,70 68.135,71 22.402,72 71.507,73 28.826,74 1.002,75 2.959,76 76.109,77 22.746,78 145.587,79 30.452,80 1.047,81 2.757,82 66.144,83 21.676,84 151.36,85 28.977,86 0.58,87 2.904,88 69.315,89 23.4,90 89.5,91 31.66,92 0.729,93 2.998,94 72.263,95 24.04,96 98.913,97 33.004,98 0.66,99 2.973,100 66.066,101 23.43,102 98.234,103 32.106,104 52,105 69,106 0.236,107 0.511,108 0.713,109 0.821,110 0.83,111 0.83,112 3.81,113 1.115,114 -4.71,115 -4.63,116 -4.35,119 37.1,120 1,121 7,124 2,125 5,126 1,127 1,132 9,133 3,141 2,144 2,155 17,157 6,158 1,160 2,162 4,163 22,165 1,166 5,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 4,186 8,189 2,191 6,193 13,196 8,200 7,203 17,205 1,206 11,211 4,214 15,218 13,221 2,223 4,224 20,227 8,231 3,234 18,238 4942,239 29.142,240 29.142,241 29.142,242 29.142,243 29.142,244 26.727,245 32.428,246 16.913,247 29.597,248 23.629,249 23.629,250 23.629,251 23.629,252 23.629,253 19.787,254 42.773,255 7.968,256 24.378,257 4.89,258 3.047,259 1.691,260 0.964,261 0.902,262 0.902,263 4.505,267 1,268 1520,269 5.523,271 273.649,272 528.672,274 238.243,277 2.417,278 53.362,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 94.5,289 706,290 4.872,291 4.082,292 7.627,293 4.485,294 3.502,295 4.622,296 1.956,297 13.894,298 3.436,299 4.589,300 3.569,301 7.616,302 4.464,303 3.482,304 4.454,305 1.058,306 13.28,307 3.418,308 4.49,309 3.538,310 6.351,311 3.994,312 3.048,313 3.689,314 0.8,315 9.799,316 2.881,317 3.937,318 2.957,319 5.817,320 3.655,321 2.669,322 3.455,323 0.4,324 7.881,325 2.634,326 3.886,327 2.886,328 5.606,329 3.503,330 2.52,331 3.307,332 0.4,333 7.733,334 2.475,335 3.55,336 2.83,337 5.466,338 3.447,339 2.512,340 2.815,341 0.248,342 7.075,343 2.338,344 3.485,345 2.701,346 5.192,347 3.227,348 2.248,349 2.561,351 6.29,352 2.193,353 3.399,354 2.363,355 5.14,356 3.075,357 2.077,358 2.464,360 5.787,361 2.068,362 3.03,363 2.27,364 4.957,365 2.811,366 1.881,367 2.289,369 5.461,370 1.753,371 2.97,372 2.18,373 4.709,374 2.683,375 1.669,376 2.06,378 4.324,379 1.677,380 2.898,381 1.646,382 4.402,383 2.463,384 1.53,385 1.916,387 4.265,388 1.431,389 2.792,390 1.525,391 4.176,392 2.433,393 1.437,394 1.816,396 3.381,397 1.405,398 2.643,399 1.5,400 3.87,401 2.277,402 1.308,403 1.622,405 3.063,406 1.257,407 2.5,408 1.43,409 3.618,410 2.149,411 1.194,412 1.5,414 2.811,415 1.134,416 2.438,417 1.418,418 3.604,419 2.001,420 1.034,421 1.365,423 2.477,424 1,425 21.5,426 0.489,427 1.291,428 0.029,429 47.75,430 1.085,431 20,432 0.455,433 27.75,434 0.631,435 54.774,436 1.245,437 49.9,438 0.561,439 41.821,440 0.95,441 8.572,442 0.195,443 12.481,444 0.284,445 0.132,446 0.062,447 0.242,450 0.584,451 1.475,452 0.842,453 1.228,454 0.58,455 1.074,456 0.628,457 0.982,458 0.843,459 0.86,460 0.48,461 0.923,462 0.912,463 1.234,464 1.273,465 1.32,466 0.783,467 1.152,468 1.646,469 0.913,470 1.044,471 0.87,472 1.713,473 0.911,474 1.269,475 0.903,476 0.984,477 0.888,478 1.357,479 0.975,480 0.895,481 1.086,482 0.972,483 1.05,484 0.84,485 1.033,486 0.952,487 0.933,488 0.925,489 0.908,490 0.874,491 0.929,492 0.994,493 0.968,494 0.889,495 0.921,496 0.976,497 1.018,498 11.5,499 0.299,500 6,501 3.167,502 2.637,503 1.371,504 1.169,505 0.772,506 0.583,507 0.496,508 35518,509 88229,510 2.046,511 50.6,512 7,513 26,516 2,518 10,520 1.825,521 1.899,522 3.906,523 0.126,527 141.132,528 1.586,529 3.429,530 4.784,531 5.512,532 5.574,533 5.574,534 3.385,535 4.897,536 5.429,537 4.149,538 3924.92,539 9.634,540 75310.1,544 576.34,545 1.602,546 5.373,547 0.24,548 0.005,549 0.087,550 0.045,551 0.041,552 0.022,553 0.018,554 0.012,555 0.009,556 0.007,557 0.486,558 0.17,559 0.5,560 0.794,561 257.487,562 0.085,563 -0.202,564 0.173,565 -0.066,566 -0.071,567 0.01,568 0.268,569 0.189,570 0.119,571 0.15,572 0.191,573 0.076,574 0.009,575 -0.126,576 -0.116,577 -0.193,578 0.036,579 -0.13,580 -0.224,581 0.047,582 -0.069,583 0.044,584 -0.183,585 0.022,586 -0.015,587 0.079,588 -0.058,589 0.034,590 -0.024,591 -0.019,592 -0.034,593 -0.094,594 -0.014,595 -0.063,596 -0.014,597 -0.033,598 -0.047,599 0.033,600 -0.014,601 0.024,602 -0.016,603 0.05,604 -0.076,605 0.018,606 -0.051,607 -0.011,608 -0.065,609 -0.034,610 4.308,611 7.002,612 0.591,613 60.862,614 0.996,615 1.129,616 3.48,617 12.107,618 0.656,619 3.892,620 4.248,621 4.5,622 4.691,623 4.86,624 4.92,625 5.017,626 5.118,627 5.13,628 5.226,629 9.521,630 0.605,631 639.97,632 3.892,633 5.46,634 6.312,635 7.197,636 8.067,637 8.954,638 9.832,639 10.721,640 11.603,641 12.493,642 5.6,645 3,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 89,672 20,673 2,674 48,676 93,677 33,678 14,679 4,680 8,681 1,683 5,684 6,688 1,691 4,692 1,694 8,696 16,697 17,698 1,699 4,702 1,703 4,707 2,713 45,714 9,715 2,716 11,717 2,720 5,721 0.8,722 4,732 2,733 3,735 1,742 1,749 1,753 4,755 2,757 3,761 44,764 1,766 12,767 2,770 1,771 3,772 1,774 1,778 4.5,781 4,785 23.167,786 16.433,787 9.514,788 5.578,789 2.211,790 1.274,791 0.968,792 10.798,793 10.289,794 4.111,795 4.68,796 5.142,797 5.587,798 6.035,799 6.257,800 6.538,801 6.892,802 6.824,803 6.907,804 0.909,805 70,806 16.72,807 7.438,808 7.727,809 32.147,810 27.473,811 2.227,812 98,815 506.157,816 196.479,817 42.183,819 94.603,821 36.847,822 159.632,823 600.76,824 42.183,825 25.618,826 64.292,827 90.855,828 104.012,829 15.106,830 2.104,831 537.435,833 506.157,834 201.815,835 94.603,836 36.847,838 388.446,839 212.314,841 79.278,842 122.537,843 5.569,844 31.278,845 506.157,846 136.786,847 196.479,849 5.569,850 506.157,851 80.006,852 117.066,853 36.022,854 94.603,855 506.157,856 136.786,857 196.479,859 0.593,860 0.347,861 0.171,862 0.088,863 32,864 15,865 0.129,866 12,867 1,868 1.077,869 5.209,870 448.952,871 0.077,872 26,873 224.215,874 1,877 1,878 33.025,879 14.386,880 8.093,881 2.114,882 136.786,883 18.283,887 1.469,888 2.941,890 36.022,891 839.422,892 60,895 -3.392,896 52.433,900 -0.278,902 88.643,903 100.473,904 0.245,905 0.53,906 0.739,907 0.851,908 0.861,909 0.861,910 5.389,911 2.077,912 6.344,913 6.29,914 4.934,915 5.368,916 2.436,917 7.216,918 4.874,919 6.605,920 1.881,921 7.958,922 5.787,923 4.745,924 5.421,925 1.668,926 8.56,927 4.664,928 7.948,929 1.669,930 9.694,931 5.461,932 6.648,933 7.592,934 3.166,935 11.607,936 6.534,937 9.334,938 1.53,939 11.51,940 4.324,941 7.3,942 8.488,943 3.128,944 13.826,945 7.171,946 10.76,947 1.437,948 13.382,949 4.265,950 8.732,951 10.217,952 4.256,953 16.524,954 8.576,955 12.214,956 1.308,957 15.294,958 3.381,959 9.733,960 11.459,961 4.561,962 19.019,963 9.561,964 13.691,965 1.194,966 17.235,967 3.063,968 11.017,969 13.045,970 5.485,971 21.645,972 10.824,973 3.502,974 1.034,975 19.199,976 2.811,977 12.159,978 14.434,979 5.961,980 24.221,981 11.95,982 3.482,983 13.894,984 21.178,985 2.477,986 13.402,987 15.97,988 6.772,989 26.834,990 13.174,991 3.048,992 13.28,993 23.17,994 4.622,995 14.601,996 17.426,997 7.337,998 29.435,999 14.357,1000 2.669,1001 9.799,1002 25.172,1003 4.454,1004 15.836,1005 18.944,1006 8.087,1007 32.048,1008 15.575,1009 2.52,1010 7.881,1011 27.18,1012 3.689,1013 17.059,1014 20.431,1015 8.698,1016 34.658,1017 16.782,1018 2.512,1019 7.733,1020 29.193,1021 3.455,1022 18.296,1023 21.945,1024 9.413,1025 37.272,1026 18.002,1027 2.248,1028 7.075,1029 31.21,1030 3.307,1031 19.53,1032 23.447,1033 10.051,1034 39.886,1035 19.22,1036 33630,1037 53209,1038 31.493,1039 58.37,1040 72.726,1041 74.225,1042 74.98,1043 72.313,1044 72.305,1045 88.979,1046 9.725,1047 213.721,1048 70.084,1049 5.872,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.622,1055 3.429,1056 21.525,1057 5.436,1058 25.18,1059 1.515,1060 1.546,1061 1.562,1062 1.507,1063 1.506,1064 1.854,1065 0.203,1066 4.453,1067 1.46,1068 4.107,1069 4.12,1070 4.727,1071 4.118,1072 7.716,1073 4.067,1074 4.03,1075 4.04,1076 4.338,1077 3.936,1078 7.433,1079 3.885,1080 3.954,1081 3.984,1082 3.889,1083 3.874,1084 7.424,1085 3.818,1086 3.89,1087 3.929,1088 3.804,1089 3.788,1090 6.999,1091 3.784,1092 3.744,1093 3.794,1094 3.661,1095 3.594,1096 4.849,1097 3.575,1098 3.601,1099 3.666,1100 3.561,1101 3.469,1102 4.752,1103 3.439,1104 3.537,1105 3.566,1106 3.48,1107 3.43,1108 4.369,1109 3.418,1110 3.351,1111 3.428,1112 3.211,1113 3.145,1114 4.312,1115 3.144,1116 0.102,1117 0.085,1118 0.159,1119 0.093,1120 0.073,1121 4.872,1122 0.096,1123 4.082,1124 0.041,1125 7.627,1126 0.289,1127 4.485,1128 0.072,1129 3.502,1130 4.622,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.077,1137 2.064,1138 1.395,1139 2.081,1140 1.933,1141 1.901,1142 2.033,1143 2.022,1144 1.298,1145 2.039,1146 1.848,1147 1.823,1148 1.995,1149 1.995,1150 1.211,1151 2.015,1152 1.74,1153 1.704,1154 1.886,1155 1.915,1156 1.199,1157 1.917,1158 1.665,1159 1.628,1160 1.86,1161 1.855,1162 1.188,1163 1.871,1164 1.577,1165 1.507,1166 1.824,1167 1.758,1168 1.109,1169 1.793,1170 1.547,1171 1.505,1172 1.751,1173 1.751,1174 0.929,1175 1.779,1176 1.476,1177 1.453,1178 1.608,1179 1.592,1180 0.831,1181 1.604,1182 4.575,1183 5.922,1184 3.045,1185 7.452,1186 5.352,1187 9.063,1188 7.424,1189 10.716,1191 5.172,1197 8.611,1198 6.534,1201 -0.081,1202 5.105,1203 -0.91,1206 53.876,1207 141.132,1208 305.188,1209 425.798,1210 490.566,1211 496.076,1212 496.076,1213 124.549,1214 8.078,1215 102.06,1216 138.68,1217 28,1218 13.024,1219 4.392,1220 3.7,1221 73.84,1222 243,1223 258,1224 0.138,1225 336.222,1226 588.38,1227 812.143,1228 38428,1230 31.321,1231 0.712,1232 0.629,1233 31.925,1234 27.683,1235 21.053,1236 0.439,1237 0.372,1238 15.64,1239 19.104,1240 14.989,1241 12.421,1242 22.25,1243 17.846,1244 19.788,1245 0.287,1246 0.227,1247 21.834,1248 15.655,1249 16.481,1250 0.185,1251 0.135,1252 18.733,1253 11.987,1254 12.622,1255 0.117,1256 0.079,1257 14.214,1258 8.483,1259 9.717,1260 0.076,1261 0.044,1262 10.987,1263 5.661,1264 0.221,1265 143.12,1266 0.178,1267 39.067,1268 0.367,1269 234,1270 620.264,1271 319.542,1272 640.043,1273 864.53,1274 592,1275 275,1276 581.964,1277 366.003,1278 647.068,1279 945.12,1280 605,1281 7.9}
{0 CHEMBL1084161,1 1.618,2 15.31,3 4.758,4 22.637,5 169.839,6 7.372,7 0.348,8 4.498,9 4.619,10 4.18,11 4.068,12 5.466,13 4.001,14 5.099,15 5.279,16 4.514,17 4.506,18 6.232,19 4.407,20 5.419,21 5.643,22 4.544,23 4.664,24 6.355,25 4.528,26 5.528,27 5.776,28 4.474,29 4.643,30 6.502,31 4.503,32 5.489,33 5.74,34 4.445,35 4.597,36 6.552,37 4.46,38 5.421,39 5.655,40 4.489,41 4.641,42 6.347,43 4.502,44 5.509,45 5.749,46 4.462,47 4.703,48 6.427,49 4.559,50 5.562,51 5.811,52 4.5,53 4.741,54 6.479,55 4.598,56 0.12,57 1.268,58 22.355,59 8.289,60 21.404,61 10.885,62 0.624,63 2.105,64 39.936,65 14.849,66 90.905,67 19.627,68 0.602,69 2.669,70 60.546,71 20.219,72 78.323,73 26.659,74 0.71,75 2.734,76 67.709,77 21.455,78 116.269,79 28.559,80 1.075,81 2.587,82 64.438,83 20.466,84 164.401,85 27.138,86 0.542,87 2.591,88 60.913,89 20.41,90 86.366,91 27.008,92 0.604,93 2.767,94 64.247,95 22.263,96 97.525,97 29.811,98 0.673,99 2.89,100 65.127,101 22.87,102 108.09,103 31.158,104 38,105 66,106 0.244,107 0.535,108 0.716,109 0.834,110 0.844,111 0.844,112 3.765,113 1.116,114 -4.34,115 -4.27,116 -4.03,119 37.3,120 1,121 7,125 5,126 1,127 1,132 9,133 3,141 2,144 2,148 1,149 1,150 1,155 17,157 3,158 1,159 3,160 5,162 4,163 22,165 1,166 5,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 3,186 8,188 1,189 3,191 6,193 13,196 8,200 7,203 17,205 1,206 10,211 5,214 15,216 1,218 12,221 2,223 5,224 20,225 1,227 8,231 3,234 18,238 4268,239 27.857,240 27.857,241 27.857,242 27.857,243 27.857,244 25.382,245 28.147,246 16.264,247 28.267,248 22.705,249 22.705,250 22.705,251 22.705,252 22.705,253 18.848,254 35.487,255 7.729,256 23.384,257 4.757,258 2.829,259 1.627,260 0.847,261 0.78,262 0.78,263 4.462,267 1,268 1391,269 5.244,271 256.641,272 499.185,274 223.339,277 2.291,278 52.001,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.5,287 0.62,288 90.5,289 643,290 4.743,291 4.082,292 7.627,293 4.485,294 3.502,295 4.51,296 1.956,297 13.894,298 3.436,299 4.589,300 3.538,301 7.111,302 4.297,303 3.313,304 4.454,305 1.058,306 11.657,307 3.262,308 4.49,309 3.395,310 6.351,311 3.994,312 3.048,313 3.689,314 0.8,315 9.799,316 2.881,317 3.937,318 2.957,319 5.817,320 3.655,321 2.669,322 3.455,323 0.4,324 7.88,325 2.634,326 3.886,327 2.883,328 5.606,329 3.503,330 2.512,331 3.307,332 0.248,333 7.733,334 2.475,335 3.54,336 2.799,337 5.354,338 3.424,339 2.494,340 2.815,342 7.008,343 2.319,344 3.484,345 2.701,346 5.142,347 3.224,348 2.245,349 2.554,351 6.289,352 2.188,353 3.398,354 2.363,355 4.957,356 3.075,357 2.077,358 2.461,360 5.787,361 2.068,362 3.03,363 2.262,364 4.711,365 2.703,366 1.701,367 2.289,369 4.721,370 1.702,371 2.967,372 1.889,373 4.584,374 2.592,375 1.63,376 2.06,378 4.321,379 1.558,380 2.838,381 1.646,382 4.402,383 2.463,384 1.53,385 1.872,387 4.263,388 1.418,389 2.753,390 1.521,391 4.176,392 2.423,393 1.428,394 1.746,396 3.381,397 1.405,398 2.643,399 1.5,400 3.618,401 2.266,402 1.296,403 1.622,405 3.056,406 1.244,407 2.5,408 1.418,409 3.606,410 2.04,411 1.065,412 1.5,414 2.51,415 1.027,416 2.246,417 1.196,418 3.529,419 2,420 1,421 1.187,423 2.275,424 1,425 20.5,426 0.488,427 1.234,428 0.029,429 46.25,430 1.101,431 20,432 0.476,433 26.25,434 0.625,435 51.064,436 1.216,437 47.3,438 0.57,439 38.821,440 0.924,441 8.185,442 0.195,443 11.925,444 0.284,445 0.109,446 0.065,447 0.234,450 0.608,451 1.361,452 0.834,453 1.167,454 0.631,455 1.02,456 0.545,457 1.068,458 0.893,459 0.971,460 0.403,461 0.998,462 0.932,463 1.085,464 1.071,465 1.102,466 0.817,467 1.084,468 1.252,469 1.018,470 1.002,471 0.974,472 1.266,473 0.984,474 1.25,475 0.818,476 0.929,477 0.804,478 1.324,479 0.884,480 0.977,481 1.059,482 1.009,483 1.044,484 0.881,485 1.018,486 0.946,487 1.038,488 0.983,489 1.014,490 0.908,491 1.037,492 0.958,493 0.922,494 0.852,495 0.877,496 0.925,497 0.978,498 11,499 0.266,500 5.111,501 2.917,502 2.477,503 1.316,504 1.049,505 0.74,506 0.558,507 0.496,508 31292,509 81819,510 2.062,511 49.4,512 7,513 20,516 4,518 10,520 1.815,521 1.924,522 3.839,523 1.415,527 134.279,528 1.618,529 3.546,530 4.748,531 5.528,532 5.595,533 5.595,534 3.348,535 4.767,536 5.361,537 4.079,538 3512.06,539 9.503,540 64784.5,544 529.128,545 1.565,546 5.311,547 0.239,548 0.005,549 0.077,550 0.046,551 0.041,552 0.022,553 0.017,554 0.012,555 0.008,556 0.008,557 0.475,559 0.5,560 0.658,561 241.963,562 0.054,563 -0.098,564 0.165,565 -0.021,566 -0.093,567 0.043,568 0.289,569 0.089,570 0.047,571 0.048,572 0.27,573 0.006,574 -0.029,575 -0.025,576 -0.074,577 -0.091,578 -0.027,579 -0.091,580 -0.125,581 -0.051,582 -0.046,583 -0.035,584 -0.11,585 -0.021,586 -0.006,587 0.133,589 0.102,590 -0.027,591 0.064,592 -0.07,593 -0.046,594 -0.033,595 -0.045,596 -0.029,597 -0.02,598 -0.058,599 -0.056,600 -0.079,601 -0.061,602 -0.039,603 -0.043,604 -0.067,605 0.041,606 -0.022,607 0.018,608 -0.06,609 0.002,610 4.567,611 6.939,612 0.619,613 56.107,614 0.999,615 1.128,616 3.106,617 9.649,618 0.661,619 3.85,620 4.205,621 4.431,622 4.654,623 4.828,624 4.89,625 4.963,626 5.069,627 5.106,628 5.204,629 9.099,630 0.612,631 611.91,632 3.85,633 5.416,634 6.26,635 7.146,636 8.008,637 8.896,638 9.766,639 10.655,640 11.531,641 12.421,642 6,645 2,646 1,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 83,672 20,673 2,674 46,676 87,677 31,678 14,679 4,680 8,681 1,683 5,684 6,688 1,691 4,692 1,694 8,696 16,697 15,698 1,699 4,702 1,703 4,707 2,713 41,714 9,715 4,716 11,717 2,720 5,721 0.8,722 4,732 2,733 3,735 1,742 1,749 1,753 4,755 2,757 1,761 42,762 1,764 1,766 12,767 2,770 1,771 2,772 1,774 1,778 4.8,781 4,785 21.833,786 14.567,787 9.014,788 5.2,789 2.256,790 1.283,791 0.979,792 10.009,793 10.24,794 4.078,795 4.652,796 5.082,797 5.572,798 6.026,799 6.25,800 6.527,801 6.884,802 6.82,803 6.903,804 1,805 64,806 15.971,807 7.181,808 7.786,809 30.526,810 26.256,811 2.286,812 96,815 435.531,816 179.686,817 71.956,819 94.603,821 36.847,822 142.839,823 530.134,824 71.956,825 8.825,826 64.292,827 122.147,828 104.012,829 13.587,830 2.104,831 466.808,833 435.531,834 214.795,835 94.603,836 36.847,838 317.82,839 212.314,841 77.76,842 137.035,843 5.569,844 31.278,845 435.531,846 166.559,847 179.686,849 5.569,850 435.531,851 80.006,852 98.754,853 36.022,854 125.894,855 435.531,856 166.559,857 179.686,859 0.591,860 0.335,861 0.171,862 0.09,863 31,864 14,865 0.126,866 11,867 1,868 1.077,869 5.093,870 421.957,871 0.077,872 26,873 212.477,874 1,877 1,878 31.086,879 13.523,880 7.987,881 2.105,882 166.559,883 18.207,887 1.463,888 2.922,890 67.313,891 781.775,892 58,895 -3.651,896 50.633,900 -0.294,902 82.876,903 93.643,904 0.254,905 0.556,906 0.745,907 0.867,908 0.878,909 0.878,910 5.352,911 2.077,912 6.29,913 6.289,914 4.89,915 5.34,916 2.408,917 7.146,918 4.833,919 6.569,920 1.701,921 7.888,922 5.787,923 4.691,924 5.394,925 1.668,926 8.441,927 4.617,928 7.911,929 1.63,930 9.605,931 4.721,932 6.592,933 7.562,934 3.164,935 11.459,936 6.482,937 9.291,938 1.53,939 11.398,940 4.321,941 7.216,942 8.438,943 3.128,944 13.623,945 7.091,946 10.709,947 1.428,948 13.245,949 4.263,950 8.644,951 10.165,952 4.255,953 16.291,954 8.491,955 12.152,956 1.296,957 15.131,958 3.381,959 9.614,960 11.382,961 4.561,962 18.75,963 9.445,964 13.615,965 1.065,966 17.045,967 3.056,968 10.888,969 12.961,970 5.485,971 21.354,972 10.696,973 3.502,974 1,975 18.981,976 2.51,977 12.002,978 14.326,979 5.961,980 23.91,981 11.796,982 3.313,983 13.894,984 20.934,985 2.275,986 13.23,987 15.851,988 6.772,989 26.51,990 13.004,991 3.048,992 11.657,993 22.9,994 4.51,995 14.406,996 17.285,997 7.337,998 29.102,999 14.164,1000 2.669,1001 9.799,1002 24.876,1003 4.454,1004 15.624,1005 18.79,1006 8.087,1007 31.709,1008 15.366,1009 2.512,1010 7.88,1011 26.861,1012 3.689,1013 16.828,1014 20.256,1015 8.698,1016 34.316,1017 16.553,1018 2.494,1019 7.733,1020 28.852,1021 3.455,1022 18.048,1023 21.755,1024 9.413,1025 36.93,1026 17.757,1027 2.245,1028 7.008,1029 30.848,1030 3.307,1031 19.265,1032 23.237,1033 10.051,1034 39.546,1035 18.958,1036 29494,1037 47921,1038 30.394,1039 54.847,1040 69.462,1041 71.154,1042 70.814,1043 69.121,1044 69.133,1045 85.823,1046 8.925,1047 203.352,1048 67.174,1049 5.743,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.51,1055 3.429,1056 21.313,1057 5.436,1058 22.576,1059 1.51,1060 1.547,1061 1.539,1062 1.503,1063 1.503,1064 1.866,1065 0.194,1066 4.421,1067 1.46,1068 4.104,1069 4.116,1070 4.715,1071 4.118,1072 7.727,1073 4.067,1074 4.01,1075 4.028,1076 4.338,1077 3.912,1078 7.433,1079 3.881,1080 3.95,1081 3.976,1082 3.888,1083 3.868,1084 7.424,1085 3.795,1086 3.89,1087 3.929,1088 3.804,1089 3.788,1090 6.999,1091 3.78,1092 3.728,1093 3.768,1094 3.659,1095 3.588,1096 4.85,1097 3.562,1098 3.581,1099 3.627,1100 3.56,1101 3.469,1102 4.816,1103 3.439,1104 3.537,1105 3.566,1106 3.478,1107 3.413,1108 4.752,1109 3.388,1110 3.327,1111 3.39,1112 3.208,1113 3.13,1114 4.359,1115 3.125,1116 0.103,1117 0.089,1118 0.166,1119 0.097,1120 0.076,1121 4.743,1122 0.098,1123 4.082,1124 0.043,1125 7.627,1126 0.302,1127 4.485,1128 0.075,1129 3.502,1130 4.51,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.077,1137 2.059,1138 1.393,1139 2.074,1140 1.933,1141 1.901,1142 2.033,1143 2.017,1144 1.29,1145 2.034,1146 1.836,1147 1.803,1148 1.994,1149 1.995,1150 1.211,1151 2.015,1152 1.737,1153 1.702,1154 1.884,1155 1.914,1156 1.199,1157 1.911,1158 1.648,1159 1.614,1160 1.86,1161 1.821,1162 1.188,1163 1.844,1164 1.577,1165 1.507,1166 1.822,1167 1.751,1168 1.104,1169 1.793,1170 1.49,1171 1.485,1172 1.609,1173 1.682,1174 0.851,1175 1.71,1176 1.441,1177 1.423,1178 1.583,1179 1.579,1180 0.825,1181 1.597,1182 4.533,1183 5.878,1184 3.045,1185 7.399,1186 5.352,1187 9,1188 7.424,1189 10.642,1191 2.039,1195 5.277,1197 8.247,1198 6.496,1201 -0.09,1202 3.561,1203 -0.915,1206 50.823,1207 134.279,1208 294.344,1209 394.095,1210 458.864,1211 464.373,1212 464.373,1213 113.833,1214 7.984,1215 124.84,1216 161.46,1217 28,1218 12.953,1219 4.392,1220 3.7,1221 68.643,1222 223,1223 234,1224 0.141,1225 317.038,1226 553.78,1227 765.332,1228 33854,1230 29.744,1231 0.708,1232 0.615,1233 30.348,1234 25.813,1235 20.11,1236 0.437,1237 0.372,1238 14.836,1239 18.314,1240 14.294,1241 11.789,1242 21.413,1243 17.111,1244 19.178,1245 0.291,1246 0.217,1247 21.207,1248 14.313,1249 15.166,1250 0.183,1251 0.129,1252 16.76,1253 10.704,1254 12.273,1255 0.118,1256 0.076,1257 13.69,1258 7.861,1259 9.454,1260 0.076,1261 0.042,1262 10.593,1263 5.203,1264 0.225,1265 138.044,1266 0.181,1267 37.6,1268 0.378,1269 224,1270 599.931,1271 302.139,1272 623.006,1273 836.11,1274 574,1275 261,1276 561.962,1277 345.112,1278 622.702,1279 905.12,1280 583,1281 7.8}
{0 CHEMBL1084162,1 1.547,2 16.045,3 6.182,4 38.216,5 179.418,6 7.1,7 0.333,8 4.565,9 4.686,10 4.209,11 4.147,12 5.5,13 4.067,14 5.178,15 5.365,16 4.579,17 4.591,18 6.194,19 4.478,20 5.507,21 5.728,22 4.635,23 4.756,24 6.459,25 4.612,26 5.643,27 5.892,28 4.534,29 4.729,30 6.636,31 4.591,32 5.555,33 5.796,34 4.505,35 4.703,36 6.585,37 4.558,38 5.575,39 5.828,40 4.531,41 4.75,42 6.44,43 4.589,44 5.618,45 5.881,46 4.49,47 4.766,48 6.476,49 4.61,50 5.593,51 5.838,52 4.528,53 4.791,54 6.494,55 4.643,56 0.118,57 1.329,58 24.438,59 9.526,60 18.04,61 12.441,62 0.541,63 2.257,64 44.64,65 16.687,66 71.204,67 22.062,68 0.629,69 2.93,70 70.779,71 23.216,72 79.052,73 29.862,74 0.952,75 2.999,76 75.935,77 23.548,78 141.576,79 31.244,80 0.995,81 2.813,82 67.192,83 22.556,84 150.374,85 30.086,86 0.6,87 2.964,88 70.555,89 23.859,90 89.203,91 32.27,92 0.704,93 3.03,94 72.053,95 24.459,96 96.509,97 33.39,98 0.647,99 3.008,100 66.611,101 23.982,102 96.647,103 32.743,104 52,105 69,106 0.23,107 0.51,108 0.716,109 0.823,110 0.832,111 0.832,112 3.81,113 1.142,114 -4.41,115 -4.34,116 -4.1,119 37.8,120 3,121 7,125 5,126 2,127 1,132 9,133 3,141 2,144 2,155 17,157 3,158 1,160 2,162 4,163 23,165 1,166 11,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 3,186 8,189 2,191 6,193 13,196 10,200 7,203 17,205 1,206 10,211 4,214 15,218 12,221 2,223 4,224 22,227 8,231 3,234 20,238 4942,239 29.142,240 29.142,241 29.142,242 29.142,243 29.142,244 26.727,245 29.875,246 16.913,247 29.748,248 23.629,249 23.629,250 23.629,251 23.629,252 23.629,253 19.787,254 34.864,255 7.968,256 24.584,257 4.945,258 3.063,259 1.673,260 0.953,261 0.892,262 0.892,263 4.505,267 1,268 1520,269 5.523,271 273.649,272 528.672,274 238.243,277 2.417,278 53.77,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 94,289 706,290 4.872,291 4.705,292 7.627,293 4.485,294 3.502,295 4.622,296 1.956,297 13.894,298 3.436,299 4.589,300 4.082,301 7.616,302 4.404,303 3.482,304 4.454,305 1.058,306 13.28,307 3.186,308 4.49,309 3.538,310 6.351,311 3.994,312 3.048,313 3.689,314 0.8,315 9.799,316 2.881,317 3.937,318 2.957,319 5.817,320 3.655,321 2.669,322 3.455,323 0.4,324 7.881,325 2.634,326 3.886,327 2.904,328 5.606,329 3.503,330 2.52,331 3.307,332 0.248,333 7.733,334 2.475,335 3.55,336 2.868,337 5.466,338 3.443,339 2.512,340 2.815,342 7.075,343 2.326,344 3.485,345 2.701,346 5.192,347 3.226,348 2.248,349 2.561,351 6.29,352 2.19,353 3.399,354 2.376,355 5.14,356 3.075,357 2.077,358 2.464,360 5.787,361 2.068,362 3.03,363 2.362,364 4.957,365 2.809,366 1.881,367 2.289,369 5.461,370 1.742,371 2.97,372 2.251,373 4.709,374 2.683,375 1.669,376 2.06,378 4.324,379 1.675,380 2.898,381 1.646,382 4.402,383 2.463,384 1.53,385 1.916,387 4.265,388 1.433,389 2.792,390 1.524,391 4.176,392 2.434,393 1.437,394 1.816,396 3.381,397 1.405,398 2.643,399 1.5,400 3.87,401 2.281,402 1.308,403 1.622,405 3.063,406 1.263,407 2.5,408 1.418,409 3.618,410 2.178,411 1.194,412 1.5,414 2.811,415 1.167,416 2.438,417 1.307,418 3.604,419 2.01,420 1.034,421 1.365,423 2.477,424 1,425 21.6,426 0.491,427 1.291,428 0.029,429 47.25,430 1.074,431 20,432 0.455,433 27.25,434 0.619,435 56.695,436 1.289,437 49.8,438 0.553,439 39.9,440 0.907,441 8.097,442 0.184,443 12.956,444 0.294,445 0.131,446 0.062,447 0.245,450 0.572,451 1.367,452 0.86,453 1.179,454 0.579,455 1.062,456 0.626,457 1.109,458 0.892,459 0.969,460 0.497,461 0.985,462 0.997,463 1.179,464 1.262,465 1.256,466 0.857,467 1.106,468 1.66,469 0.93,470 1.047,471 0.886,472 1.712,473 0.925,474 1.261,475 0.947,476 0.971,477 0.899,478 1.335,479 0.978,480 0.924,481 1.07,482 0.968,483 1.02,484 0.833,485 1.006,486 0.967,487 0.949,488 0.93,489 0.912,490 0.877,491 0.931,492 1.003,493 0.976,494 0.887,495 0.918,496 0.972,497 1.011,498 11.5,499 0.299,500 6,501 3.167,502 2.637,503 1.371,504 1.169,505 0.772,506 0.583,507 0.496,508 35518,509 85167,510 2.046,511 51.1,512 7,513 21,516 2,518 16,520 1.825,521 1.899,522 3.906,523 0.103,527 139.209,528 1.547,529 3.428,530 4.819,531 5.539,532 5.6,533 5.6,534 3.385,535 4.897,536 5.429,537 4.149,538 3924.92,539 9.634,540 75310.1,544 584.267,545 1.602,546 5.373,547 0.24,548 0.005,549 0.087,550 0.045,551 0.041,552 0.022,553 0.018,554 0.012,555 0.009,556 0.007,557 0.486,558 0.17,559 0.63,560 0.794,561 257.487,562 0.074,563 -0.113,564 0.162,565 -0.015,566 -0.069,567 0.03,568 0.218,569 0.049,570 0.101,571 0.078,572 0.17,573 0.037,574 -0.002,575 -0.08,576 -0.104,577 -0.154,578 0.024,579 -0.099,580 -0.211,581 0.04,582 -0.071,583 0.032,584 -0.176,585 0.01,586 -0.001,587 0.035,588 -0.046,589 0.022,590 -0.014,591 -0.022,592 -0.036,593 -0.07,594 -0.006,595 -0.046,596 -0.012,597 -0.017,598 -0.044,599 0.03,600 -0.017,601 0.018,602 -0.016,603 0.044,604 -0.069,605 0.015,606 -0.046,607 -0.012,608 -0.061,609 -0.032,610 4.142,611 7.006,612 0.591,613 60.862,614 0.994,615 1.127,616 3.184,617 10.137,618 0.657,619 3.892,620 4.248,621 4.5,622 4.691,623 4.86,624 4.92,625 5.017,626 5.118,627 5.13,628 5.226,629 9.521,630 0.604,631 638.98,632 3.892,633 5.46,634 6.312,635 7.197,636 8.067,637 8.954,638 9.832,639 10.721,640 11.603,641 12.493,642 4.4,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 90,672 20,673 2,674 48,676 94,677 34,678 14,679 4,680 8,681 1,683 5,684 6,688 3,691 4,692 1,694 9,696 16,697 18,698 1,699 4,702 1,703 4,707 2,713 46,714 8,715 2,716 10,717 2,720 4,721 0.8,722 4,732 2,733 3,735 1,742 1,749 1,753 4,755 2,757 3,761 44,764 1,766 12,767 2,770 2,771 2,772 1,774 1,778 4.4,781 4,785 23.167,786 16.567,787 9.514,788 5.867,789 2.211,790 1.274,791 0.963,792 10.829,793 10.289,794 4.111,795 4.68,796 5.142,797 5.587,798 6.035,799 6.257,800 6.538,801 6.892,802 6.824,803 6.907,804 0.909,805 70,806 16.733,807 7.474,808 7.712,809 32.306,810 27.863,811 2.212,812 97.333,815 517.928,816 197.575,817 40.664,819 94.603,821 37.085,822 160.49,823 612.531,824 40.664,825 26.476,826 64.292,827 91.094,828 104.012,829 13.587,830 2.104,831 549.206,833 517.928,834 201.154,835 94.603,836 37.085,838 329.591,839 282.94,841 95.41,842 105.744,843 5.807,844 31.278,845 517.928,846 135.267,847 197.575,849 5.807,850 517.928,851 80.006,852 116.405,853 36.022,854 94.603,855 517.928,856 135.267,857 197.575,859 0.593,860 0.347,861 0.171,862 0.088,863 32,864 15,865 0.128,866 12,867 1,868 1.077,869 5.209,870 448.952,871 0.077,872 26,873 224.215,874 1,877 1,878 33.063,879 14.411,880 8.109,881 2.118,882 135.267,883 18.308,887 1.472,888 2.95,890 36.022,891 850.77,892 60,895 -3.225,896 52.588,900 -0.27,902 89.425,903 101.39,904 0.238,905 0.528,906 0.742,907 0.853,908 0.863,909 0.863,910 5.389,911 2.077,912 6.344,913 6.29,914 4.934,915 5.368,916 2.408,917 7.216,918 4.857,919 6.605,920 1.881,921 7.958,922 5.787,923 4.745,924 5.421,925 1.668,926 8.56,927 4.605,928 7.948,929 1.669,930 9.694,931 5.461,932 6.648,933 7.592,934 3.164,935 11.607,936 6.478,937 9.334,938 1.53,939 11.51,940 4.324,941 7.3,942 8.488,943 3.128,944 13.826,945 7.062,946 10.76,947 1.437,948 13.382,949 4.265,950 8.732,951 10.217,952 4.255,953 16.524,954 8.462,955 12.214,956 1.308,957 15.294,958 3.381,959 9.733,960 11.459,961 4.561,962 19.019,963 9.4,964 13.691,965 1.194,966 17.235,967 3.063,968 11.017,969 13.045,970 5.485,971 21.645,972 10.647,973 3.502,974 1.034,975 19.199,976 2.811,977 12.159,978 14.434,979 5.961,980 24.221,981 11.735,982 3.482,983 13.894,984 21.178,985 2.477,986 13.402,987 15.97,988 6.772,989 26.834,990 12.939,991 3.048,992 13.28,993 23.17,994 4.622,995 14.601,996 17.426,997 7.337,998 29.435,999 14.091,1000 2.669,1001 9.799,1002 25.172,1003 4.454,1004 15.836,1005 18.944,1006 8.087,1007 32.048,1008 15.288,1009 2.52,1010 7.881,1011 27.18,1012 3.689,1013 17.059,1014 20.431,1015 8.698,1016 34.658,1017 16.469,1018 2.512,1019 7.733,1020 29.193,1021 3.455,1022 18.296,1023 21.945,1024 9.413,1025 37.272,1026 17.669,1027 2.248,1028 7.075,1029 31.21,1030 3.307,1031 19.53,1032 23.447,1033 10.051,1034 39.886,1035 18.866,1036 33630,1037 52275,1038 31.493,1039 59.126,1040 72.726,1041 74.668,1042 74.98,1043 72.358,1044 72.305,1045 88.979,1046 8.925,1047 213.721,1048 69.671,1049 5.872,1050 6.705,1051 7.429,1052 5.606,1053 5.502,1054 7.622,1055 3.429,1056 21.525,1057 5.436,1058 25.18,1059 1.515,1060 1.556,1061 1.562,1062 1.507,1063 1.506,1064 1.854,1065 0.186,1066 4.453,1067 1.451,1068 4.11,1069 4.122,1070 4.734,1071 4.119,1072 7.714,1073 4.068,1074 4.048,1075 4.047,1076 4.338,1077 4.01,1078 7.433,1079 3.906,1080 3.956,1081 3.987,1082 3.889,1083 3.879,1084 7.424,1085 3.858,1086 3.89,1087 3.93,1088 3.804,1089 3.788,1090 6.999,1091 3.785,1092 3.754,1093 3.805,1094 3.662,1095 3.606,1096 4.849,1097 3.594,1098 3.61,1099 3.675,1100 3.561,1101 3.469,1102 4.752,1103 3.445,1104 3.537,1105 3.566,1106 3.481,1107 3.452,1108 4.367,1109 3.438,1110 3.361,1111 3.434,1112 3.215,1113 3.164,1114 4.311,1115 3.159,1116 0.102,1117 0.098,1118 0.159,1119 0.093,1120 0.073,1121 4.872,1122 0.096,1123 4.705,1124 0.041,1125 7.627,1126 0.289,1127 4.485,1128 0.072,1129 3.502,1130 4.622,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.077,1137 2.067,1138 1.404,1139 2.094,1140 1.934,1141 1.903,1142 2.033,1143 2.024,1144 1.333,1145 2.043,1146 1.89,1147 1.888,1148 1.998,1149 1.995,1150 1.211,1151 2.015,1152 1.751,1153 1.71,1154 1.902,1155 1.917,1156 1.204,1157 1.929,1158 1.696,1159 1.652,1160 1.865,1161 1.871,1162 1.188,1163 1.887,1164 1.588,1165 1.534,1166 1.86,1167 1.768,1168 1.181,1169 1.793,1170 1.577,1171 1.507,1172 1.818,1173 1.751,1174 1.085,1175 1.792,1176 1.478,1177 1.463,1178 1.608,1179 1.593,1180 0.842,1181 1.605,1182 4.575,1183 5.922,1184 3.045,1185 7.452,1186 5.352,1187 9.063,1188 7.424,1189 10.716,1191 5.507,1197 8.798,1198 6.543,1201 -0.479,1202 3.931,1203 -0.906,1206 54.382,1207 139.209,1208 308.564,1209 433.724,1210 498.492,1211 504.002,1212 504.002,1213 127.447,1214 8.078,1215 98.82,1216 135.44,1217 28,1218 13.024,1219 4.392,1220 3.7,1221 73.84,1222 243,1223 258,1224 0.138,1225 339.021,1226 594.68,1227 818.97,1228 38428,1230 31.321,1231 0.712,1232 0.632,1233 31.925,1234 27.813,1235 21.053,1236 0.439,1237 0.381,1238 16,1239 19.189,1240 15.326,1241 12.684,1242 22.25,1243 18.266,1244 19.788,1245 0.287,1246 0.236,1247 21.834,1248 16.305,1249 16.481,1250 0.185,1251 0.14,1252 18.733,1253 12.491,1254 12.622,1255 0.117,1256 0.081,1257 14.214,1258 8.756,1259 9.717,1260 0.076,1261 0.046,1262 10.987,1263 5.836,1264 0.221,1265 142.398,1266 0.178,1267 39.067,1268 0.367,1269 234,1270 600.619,1271 317.183,1272 622.462,1273 840.97,1274 576,1275 275,1276 567.044,1277 362.002,1278 626.921,1279 916.6,1280 589,1281 7.9}
{0 CHEMBL1084163,1 1.562,2 15.93,3 5.804,4 33.691,5 175,6 7.183,7 0.34,8 4.534,9 4.654,10 4.192,11 4.119,12 5.473,13 4.041,14 5.146,15 5.33,16 4.54,17 4.555,18 6.178,19 4.446,20 5.47,21 5.696,22 4.588,23 4.711,24 6.411,25 4.57,26 5.574,27 5.817,28 4.503,29 4.69,30 6.556,31 4.551,32 5.532,33 5.778,34 4.475,35 4.662,36 6.564,37 4.517,38 5.51,39 5.757,40 4.51,41 4.702,42 6.397,43 4.55,44 5.565,45 5.818,46 4.476,47 4.739,48 6.447,49 4.588,50 5.582,51 5.829,52 4.514,53 4.772,54 6.483,55 4.625,56 0.111,57 1.29,58 23.47,59 9.181,60 17.096,61 11.907,62 0.531,63 2.187,64 43.149,65 16.044,66 68.005,67 21.131,68 0.648,69 2.807,70 66.442,71 21.847,72 79.743,73 28.387,74 0.802,75 2.853,76 70.609,77 22.55,78 120.581,79 29.764,80 1.005,81 2.73,82 66.261,83 21.949,84 151.798,85 29.161,86 0.582,87 2.805,88 66.48,89 22.372,90 86.551,91 29.979,92 0.648,93 2.91,94 68.215,95 23.574,96 92.995,97 31.825,98 0.652,99 2.968,100 66.108,101 23.697,102 98.223,103 32.266,104 39,105 67,106 0.234,107 0.516,108 0.723,109 0.835,110 0.844,111 0.844,112 3.788,113 1.147,114 -4.23,115 -4.17,116 -3.94,119 37.9,120 2,121 7,125 6,126 1,127 1,132 9,133 3,141 2,144 2,155 17,157 3,158 1,160 2,162 4,163 22,165 1,166 8,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 3,186 8,189 2,191 6,193 13,196 9,200 7,203 17,205 1,206 10,211 4,214 15,218 12,221 2,223 4,224 21,227 8,231 3,234 19,238 4613,239 28.78,240 28.78,241 28.78,242 28.78,243 28.78,244 26.343,245 29.292,246 16.717,247 29.462,248 23.081,249 23.081,250 23.081,251 23.081,252 23.081,253 19.203,254 34.525,255 7.828,256 23.997,257 4.881,258 2.996,259 1.607,260 0.862,261 0.799,262 0.799,263 4.485,267 1,268 1479,269 5.339,271 265.145,272 513.929,274 230.791,277 2.35,278 52.321,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 92,289 685,290 4.788,291 4.505,292 7.627,293 4.485,294 3.502,295 4.553,296 1.956,297 13.894,298 3.436,299 4.589,300 4.082,301 7.285,302 4.298,303 3.368,304 4.454,305 1.058,306 12.335,307 3.111,308 4.49,309 3.538,310 6.351,311 3.994,312 3.048,313 3.689,314 0.8,315 9.799,316 2.881,317 3.937,318 2.957,319 5.817,320 3.655,321 2.669,322 3.455,323 0.4,324 7.88,325 2.634,326 3.886,327 2.897,328 5.606,329 3.503,330 2.512,331 3.307,332 0.248,333 7.733,334 2.475,335 3.543,336 2.862,337 5.369,338 3.425,339 2.501,340 2.815,342 7.028,343 2.313,344 3.485,345 2.701,346 5.143,347 3.224,348 2.246,349 2.556,351 6.289,352 2.186,353 3.398,354 2.363,355 4.957,356 3.075,357 2.077,358 2.462,360 5.787,361 2.068,362 3.03,363 2.307,364 4.799,365 2.706,366 1.726,367 2.289,369 4.908,370 1.701,371 2.968,372 2.236,373 4.708,374 2.61,375 1.651,376 2.06,378 4.323,379 1.557,380 2.844,381 1.646,382 4.402,383 2.463,384 1.53,385 1.876,387 4.264,388 1.419,389 2.762,390 1.522,391 4.176,392 2.425,393 1.43,394 1.76,396 3.381,397 1.405,398 2.643,399 1.5,400 3.618,401 2.267,402 1.297,403 1.622,405 3.056,406 1.245,407 2.5,408 1.418,409 3.607,410 2.043,411 1.069,412 1.5,414 2.513,415 1.03,416 2.246,417 1.224,418 3.532,419 2,420 1,421 1.188,423 2.275,424 1,425 21.1,426 0.491,427 1.173,428 0.027,429 46.75,430 1.087,431 20,432 0.465,433 26.75,434 0.622,435 53.667,436 1.248,437 48.5,438 0.557,439 39.084,440 0.909,441 8.111,442 0.189,443 12.559,444 0.292,445 0.111,446 0.063,447 0.227,450 0.571,451 1.364,452 0.852,453 1.172,454 0.572,455 1.051,456 0.632,457 1.128,458 0.925,459 0.999,460 0.492,461 1.002,462 1.016,463 1.098,464 1.164,465 1.145,466 0.888,467 1.06,468 1.483,469 0.998,470 1.043,471 0.951,472 1.518,473 0.976,474 1.251,475 0.906,476 0.944,477 0.859,478 1.323,479 0.934,480 0.962,481 1.055,482 0.984,483 1.015,484 0.864,485 0.997,486 0.963,487 1,488 0.957,489 0.962,490 0.898,491 0.981,492 0.985,493 0.954,494 0.869,495 0.896,496 0.954,497 0.991,498 11,499 0.266,500 5.556,501 2.917,502 2.477,503 1.344,504 1.089,505 0.74,506 0.558,507 0.496,508 33403,509 81962,510 2.061,511 50.6,512 7,513 22,516 2,518 13,520 1.82,521 1.925,522 3.887,523 0.114,527 135.856,528 1.562,529 3.447,530 4.836,531 5.581,532 5.644,533 5.644,534 3.368,535 5.101,536 5.395,537 4.119,538 3719.23,539 9.569,540 70009.3,544 560.536,545 1.547,546 5.347,547 0.234,548 0.004,549 0.083,550 0.044,551 0.04,552 0.022,553 0.017,554 0.011,555 0.008,556 0.008,557 0.471,558 0.17,559 0.63,560 0.775,561 249.755,562 0.072,563 -0.115,564 0.163,565 -0.016,566 -0.065,567 0.031,568 0.21,569 0.028,570 0.063,571 0.043,572 0.175,573 0.013,574 -0.022,575 -0.018,576 -0.078,577 -0.095,578 -0.006,579 -0.067,580 -0.172,581 -0.018,582 -0.075,583 -0.018,584 -0.144,585 -0.027,586 0.003,587 0.061,588 -0.019,589 0.054,590 -0.011,591 0.017,592 -0.052,593 -0.046,594 -0.013,595 -0.036,596 -0.019,597 -0.009,598 -0.048,599 -0.015,600 -0.046,601 -0.022,602 -0.024,603 0.001,604 -0.065,605 0.026,606 -0.032,607 0.003,608 -0.058,609 -0.015,610 4.063,611 6.98,612 0.605,613 58.79,614 0.995,615 1.126,616 3.001,617 9.004,618 0.659,619 3.871,620 4.22,621 4.466,622 4.673,623 4.844,624 4.905,625 4.99,626 5.094,627 5.118,628 5.215,629 9.325,630 0.608,631 624.95,632 3.871,633 5.434,634 6.282,635 7.166,636 8.032,637 8.919,638 9.792,639 10.681,640 11.559,641 12.449,642 4.6,645 2,648 2,653 2,654 9,658 1,659 3,661 16,662 1,670 87,672 20,673 2,674 47,676 91,677 33,678 14,679 4,680 8,681 1,683 5,684 6,688 2,691 4,692 1,694 8,696 16,697 17,698 1,699 4,702 1,703 4,707 2,713 44,714 8,715 2,716 10,717 2,720 4,721 0.8,722 4,732 2,733 3,735 1,742 1,749 1,753 4,755 2,757 2,761 43,764 1,766 13,767 2,770 1,771 2,772 1,774 1,778 4.6,781 4,785 22.333,786 15.733,787 9.389,788 5.728,789 2.233,790 1.278,791 0.971,792 10.595,793 10.265,794 4.094,795 4.661,796 5.113,797 5.58,798 6.031,799 6.253,800 6.532,801 6.888,802 6.822,803 6.905,804 0.909,805 67,806 16.332,807 7.275,808 7.721,809 31.549,810 27.164,811 2.221,812 95.5,815 494.386,816 189.649,817 40.664,819 94.603,821 37.085,822 152.564,823 588.989,824 40.664,825 17.65,826 65.191,827 91.094,828 104.012,829 13.587,830 2.104,831 525.664,833 494.386,834 193.229,835 94.603,836 37.085,838 341.362,839 247.627,841 87.485,842 105.744,843 5.807,844 31.278,845 494.386,846 135.267,847 189.649,849 5.807,850 494.386,851 80.905,852 107.58,853 36.022,854 94.603,855 494.386,856 135.267,857 189.649,859 0.588,860 0.344,861 0.173,862 0.089,863 31,864 14,865 0.132,866 12,867 1,868 1.077,869 5.163,870 434.738,871 0.077,872 26,873 219.329,874 1,877 1,878 32.093,879 14.196,880 8.049,881 2.119,882 135.267,883 18.302,887 1.471,888 2.952,890 36.022,891 819.303,892 59,895 -3.146,896 51.881,900 -0.269,902 86.541,903 97.975,904 0.242,905 0.535,906 0.751,907 0.866,908 0.876,909 0.876,910 5.366,911 2.077,912 6.308,913 6.289,914 4.905,915 5.349,916 2.408,917 7.169,918 4.83,919 6.579,920 1.726,921 7.911,922 5.787,923 4.691,924 5.394,925 1.668,926 8.49,927 4.562,928 7.921,929 1.651,930 9.633,931 4.908,932 6.611,933 7.574,934 3.164,935 11.513,936 6.453,937 9.303,938 1.53,939 11.433,940 4.323,941 7.238,942 8.455,943 3.128,944 13.702,945 7.022,946 10.724,947 1.43,948 13.288,949 4.264,950 8.672,951 10.185,952 4.255,953 16.375,954 8.427,955 12.172,956 1.297,957 15.181,958 3.381,959 9.649,960 11.41,961 4.561,962 18.846,963 9.353,964 13.639,965 1.069,966 17.103,967 3.056,968 10.927,969 12.991,970 5.485,971 21.453,972 10.6,973 3.502,974 1,975 19.047,976 2.513,977 12.048,978 14.366,979 5.961,980 24.013,981 11.679,982 3.368,983 13.894,984 21.007,985 2.275,986 13.281,987 15.894,988 6.772,989 26.612,990 12.881,991 3.048,992 12.335,993 22.98,994 4.553,995 14.462,996 17.336,997 7.337,998 29.203,999 14.028,1000 2.669,1001 9.799,1002 24.963,1003 4.454,1004 15.685,1005 18.846,1006 8.087,1007 31.807,1008 15.222,1009 2.512,1010 7.88,1011 26.953,1012 3.689,1013 16.893,1014 20.32,1015 8.698,1016 34.411,1017 16.401,1018 2.501,1019 7.733,1020 28.948,1021 3.455,1022 18.118,1023 21.824,1024 9.413,1025 37.02,1026 17.6,1027 2.246,1028 7.028,1029 30.949,1030 3.307,1031 19.338,1032 23.313,1033 10.051,1034 39.631,1035 18.795,1036 31558,1037 49631,1038 31.087,1039 57.364,1040 70.366,1041 72.972,1042 72.952,1043 70.184,1044 70.136,1045 86.785,1046 8.925,1047 206.154,1048 67.597,1049 5.788,1050 6.505,1051 7.429,1052 5.606,1053 5.502,1054 7.553,1055 3.429,1056 21.313,1057 5.436,1058 22.931,1059 1.497,1060 1.553,1061 1.552,1062 1.493,1063 1.492,1064 1.846,1065 0.19,1066 4.386,1067 1.438,1068 4.107,1069 4.119,1070 4.728,1071 4.119,1072 7.714,1073 4.067,1074 4.035,1075 4.039,1076 4.338,1077 3.986,1078 7.433,1079 3.892,1080 3.955,1081 3.983,1082 3.888,1083 3.879,1084 7.424,1085 3.845,1086 3.89,1087 3.929,1088 3.804,1089 3.788,1090 6.999,1091 3.785,1092 3.745,1093 3.789,1094 3.66,1095 3.601,1096 4.849,1097 3.584,1098 3.599,1099 3.659,1100 3.56,1101 3.469,1102 4.752,1103 3.439,1104 3.537,1105 3.566,1106 3.48,1107 3.44,1108 4.366,1109 3.428,1110 3.342,1111 3.416,1112 3.209,1113 3.146,1114 4.31,1115 3.143,1116 0.102,1117 0.096,1118 0.162,1119 0.095,1120 0.075,1121 4.788,1122 0.097,1123 4.505,1124 0.042,1125 7.627,1126 0.296,1127 4.485,1128 0.073,1129 3.502,1130 4.553,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.077,1137 2.063,1138 1.4,1139 2.087,1140 1.934,1141 1.902,1142 2.033,1143 2.021,1144 1.319,1145 2.041,1146 1.871,1147 1.864,1148 1.997,1149 1.995,1150 1.211,1151 2.015,1152 1.745,1153 1.707,1154 1.888,1155 1.915,1156 1.2,1157 1.919,1158 1.68,1159 1.641,1160 1.86,1161 1.846,1162 1.188,1163 1.873,1164 1.577,1165 1.519,1166 1.828,1167 1.751,1168 1.144,1169 1.793,1170 1.565,1171 1.507,1172 1.786,1173 1.746,1174 1.062,1175 1.776,1176 1.477,1177 1.458,1178 1.608,1179 1.589,1180 0.839,1181 1.603,1182 4.554,1183 5.894,1184 3.045,1185 7.419,1186 5.352,1187 9.023,1188 7.424,1189 10.669,1191 3.734,1197 8.988,1198 6.535,1201 -0.071,1202 3.908,1203 -0.904,1206 52.855,1207 135.856,1208 299.893,1209 420.748,1210 485.517,1211 491.026,1212 491.026,1213 120.339,1214 8.032,1215 98.82,1216 135.44,1217 28,1218 12.98,1219 4.392,1220 3.7,1221 71.22,1222 233,1223 266,1224 0.139,1225 329.428,1226 577.38,1227 795.565,1228 36140,1230 30.451,1231 0.708,1232 0.627,1233 31.055,1234 26.943,1235 20.671,1236 0.44,1237 0.382,1238 15.615,1239 18.813,1240 15,1241 12.377,1242 21.9,1243 17.977,1244 19.154,1245 0.286,1246 0.23,1247 21.171,1248 15.38,1249 15.957,1250 0.186,1251 0.138,1252 17.947,1253 11.899,1254 12.477,1255 0.118,1256 0.08,1257 13.996,1258 8.48,1259 9.609,1260 0.076,1261 0.045,1262 10.826,1263 5.622,1264 0.222,1265 140.426,1266 0.179,1267 38.347,1268 0.372,1269 228,1270 594.619,1271 307.843,1272 615.512,1273 830.29,1274 570,1275 267,1276 558.702,1277 351.501,1278 615.485,1279 898.97,1280 579,1281 8}
{0 CHEMBL1084164,1 1.483,2 17.625,3 6.688,4 44.732,5 195.924,6 6.73,7 0.302,8 4.674,9 4.808,10 4.183,11 4.205,12 5.604,13 4.146,14 5.286,15 5.489,16 4.56,17 4.638,18 6.162,19 4.544,20 5.586,21 5.829,22 4.63,23 4.794,24 6.425,25 4.667,26 5.668,27 5.929,28 4.607,29 4.803,30 6.523,31 4.673,32 5.688,33 5.937,34 4.646,35 4.856,36 6.626,37 4.722,38 5.777,39 6.027,40 4.67,41 4.958,42 6.587,43 4.794,44 5.893,45 6.184,46 4.586,47 4.946,48 6.646,49 4.77,50 5.771,51 6.049,52 4.569,53 4.876,54 6.578,55 4.722,56 0.085,57 1.485,58 24.44,59 9.815,60 10.711,61 13.709,62 0.544,63 2.489,64 47.726,65 16.694,66 40.713,67 23.698,68 0.754,69 3.112,70 67.077,71 21.56,72 59.896,73 31.416,74 0.702,75 3.24,76 71.66,77 22.275,78 69.034,79 32.864,80 1.108,81 3.295,82 74.86,83 24.044,84 121.489,85 34.102,86 0.625,87 3.578,88 81.211,89 28.63,90 76.499,91 40.26,92 0.89,93 3.741,94 90.379,95 30.128,96 92.759,97 43.519,98 0.917,99 3.397,100 78.056,101 26.19,102 89.984,103 37.911,104 19,105 73,106 0.216,107 0.497,108 0.718,109 0.833,110 0.841,111 0.841,112 3.895,113 1.062,114 -4.87,115 -4.77,116 -4.48,119 38,120 2,121 7,125 10,126 1,127 1,132 9,133 3,141 2,144 2,145 1,155 17,157 3,158 2,160 2,162 4,163 22,165 2,166 5,168 1,169 1,170 8,173 14,176 9,181 5,183 8,185 5,186 8,189 2,191 6,193 13,196 8,200 7,203 17,205 1,206 12,211 4,214 15,217 1,218 12,221 2,223 4,224 20,227 8,231 3,234 19,238 6346,239 32.946,240 32.946,241 32.946,242 32.946,243 32.946,244 30.589,245 37.206,246 19.775,247 33.761,248 26.161,249 26.161,250 26.161,251 26.161,252 26.161,253 22.477,254 43.444,255 9.324,256 27.443,257 5.161,258 3.239,259 1.719,260 0.93,261 0.875,262 0.875,263 4.603,267 1,268 1853,269 5.196,271 303.313,272 786.75,274 264.902,277 2.677,278 43.089,280 0.75,281 0.33,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.69,288 102,289 846,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.499,302 3.994,303 3.048,304 3.689,305 1.375,306 10.178,307 2.881,308 4.191,309 3.472,310 6.351,311 3.921,312 3.015,313 3.455,314 1.058,315 9.799,316 2.731,317 3.937,318 2.957,319 5.817,320 3.655,321 2.669,322 3.411,323 0.86,324 7.881,325 2.633,326 3.886,327 2.889,328 5.606,329 3.503,330 2.518,331 3.307,332 0.8,333 7.733,334 2.475,335 3.543,336 2.85,337 5.414,338 3.44,339 2.512,340 2.815,341 0.693,342 7.105,343 2.323,344 3.485,345 2.701,346 5.15,347 3.23,348 2.252,349 2.555,350 0.498,351 6.296,352 2.194,353 3.401,354 2.554,355 5.126,356 3.076,357 2.118,358 2.464,359 0.248,360 6.117,361 2.068,362 3.15,363 2.363,364 4.957,365 3.027,366 2.076,367 2.289,369 5.787,370 1.924,371 3.03,372 2.263,373 4.709,374 2.692,375 1.678,376 2.155,378 4.326,379 1.692,380 2.966,381 2.129,382 4.402,383 2.506,384 1.591,385 2.06,387 4.266,388 1.464,389 2.82,390 1.815,391 4.176,392 2.463,393 1.53,394 1.855,396 3.708,397 1.407,398 2.737,399 1.646,400 4.131,401 2.422,402 1.432,403 1.716,405 3.381,406 1.404,407 2.643,408 1.522,409 3.618,410 2.269,411 1.301,412 1.622,414 3.057,415 1.247,416 2.5,417 1.5,418 3.605,419 2.171,420 1.285,421 1.5,423 2.683,424 1.131,425 23.233,426 0.484,427 1.01,428 0.021,429 49.75,430 1.036,431 18.5,432 0.385,433 31.25,434 0.651,435 63.099,436 1.315,437 54.167,438 0.542,439 41.763,440 0.87,441 9.115,442 0.19,443 14.305,444 0.298,445 0.072,446 0.022,447 0.245,450 0.794,451 1.456,452 0.867,453 1.158,454 0.578,455 1.089,456 1.005,457 1.073,458 0.954,459 0.958,460 0.602,461 0.988,462 1.037,463 1.103,464 1.031,465 1.041,466 0.889,467 1.032,468 1.28,469 1.049,470 1.002,471 0.939,472 1.386,473 0.954,474 1.278,475 0.883,476 1.111,477 0.937,478 1.514,479 0.967,480 0.958,481 1.17,482 1.076,483 1.187,484 1.154,485 1.14,486 1.031,487 0.928,488 0.937,489 0.923,490 0.978,491 0.916,492 1.183,493 0.826,494 0.894,495 0.812,496 1.198,497 0.884,498 9.5,499 0.253,500 5.111,501 3.104,502 2.628,503 1.267,504 1.248,505 0.845,506 0.546,507 0.442,508 47771,509 102159,510 2.12,511 52,512 7,513 30,516 2,518 13,520 1.845,521 2.021,522 4.032,523 0.065,527 148.277,528 1.483,529 3.405,530 4.925,531 5.714,532 5.769,533 5.769,534 3.481,535 5.127,536 5.556,537 4.279,538 4826.49,539 9.881,540 99886.9,544 664.386,545 1.322,546 5.529,547 0.179,548 0.004,549 0.07,550 0.042,551 0.036,552 0.017,553 0.017,554 0.012,555 0.008,556 0.006,557 0.39,558 0.17,559 0.63,560 0.648,561 289.104,562 0.005,563 -0.186,564 0.081,565 -0.033,566 -0.001,567 0.004,568 0.048,569 0.093,570 0.043,571 0.069,572 0.057,573 0.024,574 0.016,575 -0.025,576 -0.014,577 -0.045,578 -0.003,579 -0.047,580 -0.115,581 -0.012,582 -0.011,583 0.002,584 -0.076,585 0.002,586 0.015,587 0.161,588 -0.064,589 0.047,590 0.065,591 -0.001,592 -0.03,593 -0.166,594 -0.065,595 -0.147,596 -0.019,597 -0.123,598 -0.019,599 -0.002,600 0.029,601 0.025,602 0.017,603 0.054,604 -0.061,605 0.128,606 0.028,607 0.107,608 -0.044,609 0.078,610 2.118,611 7.139,612 0.667,613 71.892,614 0.99,615 1.131,616 3.636,617 13.217,618 0.646,619 3.989,620 4.304,621 4.575,622 4.828,623 5.017,624 5.043,625 5.153,626 5.283,627 5.293,628 5.347,629 10.363,630 0.596,631 673.03,632 3.989,633 5.533,634 6.382,635 7.258,636 8.124,637 9.005,638 9.879,639 10.763,640 11.641,641 12.527,642 6,645 3,648 2,650 1,653 2,654 9,658 1,659 3,661 16,662 1,670 100,672 19,673 2,674 53,676 105,677 38,678 14,679 4,680 8,681 1,683 6,684 7,686 1,688 2,691 4,692 1,694 8,696 17,697 21,698 1,699 3,703 2,706 1,707 3,713 52,714 9,715 2,716 10,717 1,720 6,721 0.833,722 3,732 2,733 4,735 1,742 1,749 3,752 1,753 5,755 1,757 2,761 48,766 17,767 2,768 1,770 1,771 3,772 1,774 1,778 3,781 2,782 1,785 23.75,786 18.05,787 10.653,788 6.672,789 2.083,790 1.247,791 0.969,792 12.323,793 10.504,794 4.174,795 4.68,796 5.177,797 5.667,798 6.105,799 6.302,800 6.581,801 6.932,802 6.862,803 6.931,804 0.917,805 74,806 18.004,807 7.697,808 7.516,809 35.608,810 30.158,811 2.016,812 96.75,815 588.555,816 200.343,817 62.18,819 61.29,821 31.278,822 169.065,823 649.845,824 62.18,825 17.65,826 79.794,827 85.286,828 70.699,829 35.103,830 4.003,831 619.833,833 588.555,834 231.245,835 61.29,836 31.278,838 435.531,839 203.314,840 11,841 123.603,842 107.643,844 31.278,845 588.555,846 123.47,847 200.343,850 588.555,851 97.407,852 112.31,853 36.022,854 78.075,855 588.555,856 123.47,857 200.343,859 0.573,860 0.337,861 0.187,862 0.102,863 33,864 14,865 0.124,866 13,867 1,868 1.063,869 5.644,870 506.488,871 0.063,872 32,873 252.078,874 1,878 35.161,879 16.823,880 9.122,881 2.165,882 123.47,883 18.632,887 1.499,888 3.051,890 36.022,891 912.368,892 64,896 27.714,899 4.864,900 0.942,902 98.992,903 113.088,904 0.223,905 0.513,906 0.741,907 0.86,908 0.868,909 0.868,910 5.434,911 2.118,912 6.365,913 6.296,914 4.99,915 5.368,916 2.814,917 7.188,918 4.901,919 6.599,920 2.076,921 7.931,922 6.117,923 4.575,924 5.112,925 1.936,926 8.321,927 4.448,928 7.894,929 1.678,930 9.611,931 5.787,932 6.616,933 7.442,934 3.394,935 11.4,936 6.444,937 9.225,938 1.591,939 11.368,940 4.326,941 7.091,942 8.064,943 3.289,944 13.49,945 6.887,946 10.596,947 1.53,948 13.181,949 4.266,950 8.581,951 9.876,952 4.372,953 16.174,954 8.34,955 11.994,956 1.432,957 15.036,958 3.708,959 9.461,960 10.911,961 4.645,962 18.614,963 9.196,964 13.412,965 1.301,966 16.924,967 3.381,968 10.754,969 12.521,970 5.543,971 21.227,972 10.459,973 3.502,974 1.285,975 18.838,976 3.057,977 11.819,978 13.769,979 6.003,980 23.788,981 11.507,982 3.048,983 13.894,984 20.774,985 2.683,986 13.048,987 15.295,988 6.801,989 26.398,990 12.714,991 3.015,992 10.178,993 22.726,994 4.454,995 14.198,996 16.655,997 7.358,998 29.001,999 13.852,1000 2.669,1001 9.799,1002 24.693,1003 3.689,1004 15.413,1005 18.15,1006 8.101,1007 31.619,1008 15.051,1009 2.518,1010 7.881,1011 26.671,1012 3.455,1013 16.604,1014 19.569,1015 8.709,1016 34.237,1017 16.231,1018 2.512,1019 7.733,1020 28.658,1021 3.411,1022 17.821,1023 21.054,1024 9.421,1025 36.861,1026 17.436,1027 2.252,1028 7.105,1029 30.654,1030 3.307,1031 19.033,1032 22.506,1033 10.056,1034 39.487,1035 18.638,1036 44262,1037 64981,1038 36.057,1039 64.558,1040 79.051,1041 80.32,1042 81.098,1043 78.465,1044 78.44,1045 93.703,1046 14.975,1047 222.499,1048 74.967,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 19.945,1059 1.492,1060 1.515,1061 1.53,1062 1.48,1063 1.48,1064 1.768,1065 0.283,1066 4.198,1067 1.414,1068 4.103,1069 4.118,1070 4.338,1071 4.118,1072 7.433,1073 4.067,1074 3.976,1075 4.019,1076 3.9,1077 3.887,1078 7.424,1079 3.88,1080 3.894,1081 3.956,1082 3.805,1083 3.79,1084 4.851,1085 3.787,1086 3.887,1087 3.928,1088 3.804,1089 3.692,1090 4.757,1091 3.709,1092 3.755,1093 3.82,1094 3.631,1095 3.563,1096 4.714,1097 3.569,1098 3.638,1099 3.702,1100 3.562,1101 3.47,1102 4.535,1103 3.469,1104 3.537,1105 3.595,1106 3.5,1107 3.466,1108 4.343,1109 3.439,1110 3.514,1111 3.566,1112 3.36,1113 3.31,1114 4.288,1115 3.306,1116 0.087,1117 0.077,1118 0.144,1119 0.085,1120 0.066,1121 4.589,1122 0.084,1123 4.082,1124 0.037,1125 7.627,1126 0.262,1127 4.485,1128 0.065,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.077,1137 2.064,1138 1.392,1139 2.064,1140 1.933,1141 1.901,1142 2.033,1143 2.025,1144 1.287,1145 2.028,1146 1.822,1147 1.754,1148 2.01,1149 1.995,1150 1.211,1151 2.015,1152 1.74,1153 1.698,1154 1.928,1155 1.938,1156 1.201,1157 1.939,1158 1.695,1159 1.639,1160 1.877,1161 1.909,1162 1.189,1163 1.899,1164 1.609,1165 1.554,1166 1.86,1167 1.796,1168 1.188,1169 1.812,1170 1.577,1171 1.507,1172 1.825,1173 1.751,1174 1.097,1175 1.793,1176 1.503,1177 1.468,1178 1.806,1179 1.732,1180 0.958,1181 1.76,1182 4.673,1183 5.989,1184 3.045,1185 7.495,1186 5.352,1187 9.087,1188 7.424,1189 10.724,1191 4.171,1197 14.972,1198 6.674,1199 5.573,1201 -0.007,1202 7.368,1203 -0.868,1206 59.576,1207 148.277,1208 340.506,1209 492.514,1210 571.366,1211 576.876,1212 576.876,1213 105.869,1214 8.421,1215 89.51,1216 117.75,1217 34,1218 13.06,1219 4.322,1220 3.585,1221 75.418,1222 289,1223 308,1224 0.117,1225 365.531,1226 643.58,1227 883.654,1228 62280,1230 33.349,1231 0.695,1232 0.615,1233 33.702,1234 29.533,1235 23.42,1236 0.442,1237 0.354,1238 17.806,1239 22.197,1240 17.311,1241 14.259,1242 23.828,1243 18.76,1244 20.726,1245 0.284,1246 0.201,1247 21.368,1248 14.684,1249 17.468,1250 0.182,1251 0.116,1252 18.306,1253 11.176,1254 14.613,1255 0.118,1256 0.068,1257 15.514,1258 8.458,1259 11.668,1260 0.078,1261 0.039,1262 12.439,1263 5.791,1264 0.189,1265 149.761,1266 0.167,1267 42.03,1268 0.308,1269 252,1270 617.313,1271 298.169,1272 614.11,1273 844.34,1274 580,1275 295,1276 598.736,1277 341.43,1278 621.337,1279 916.2,1280 587,1281 8}
{0 CHEMBL1084251,1 1.502,2 15.075,3 5.093,4 25.943,5 161.289,6 7.01,7 0.364,8 4.451,9 4.579,10 3.996,11 4.023,12 5.439,13 3.961,14 5.046,15 5.235,16 4.38,17 4.464,18 5.969,19 4.365,20 5.37,21 5.603,22 4.439,23 4.618,24 6.255,25 4.482,26 5.475,27 5.735,28 4.372,29 4.59,30 6.392,31 4.445,32 5.409,33 5.658,34 4.376,35 4.547,36 6.443,37 4.413,38 5.37,39 5.598,40 4.435,41 4.607,42 6.305,43 4.474,44 5.482,45 5.728,46 4.404,47 4.674,48 6.37,49 4.531,50 5.522,51 5.773,52 4.443,53 4.708,54 6.418,55 4.568,56 0.056,57 1.164,58 18.609,59 7.993,60 11.219,61 10.763,62 0.377,63 1.984,64 36.38,65 13.797,66 35.363,67 19.005,68 0.516,69 2.548,70 53.863,71 18.81,72 54.276,73 26.102,74 0.575,75 2.598,76 60.041,77 20.339,78 81.807,79 27.941,80 0.865,81 2.439,82 58.525,83 19.236,84 129.836,85 25.705,86 0.499,87 2.489,88 55.946,89 19.165,90 73.85,91 25.783,92 0.548,93 2.702,94 60.281,95 21.483,96 77.754,97 29.448,98 0.596,99 2.802,100 60.217,101 21.782,102 85.448,103 30.31,104 18,105 61,106 0.229,107 0.517,108 0.713,109 0.836,110 0.847,111 0.847,112 3.717,113 1.047,114 -4.46,115 -4.39,116 -4.14,119 40,120 1,121 7,125 5,126 1,127 1,132 9,133 3,141 2,144 3,155 17,157 1,158 1,160 2,162 4,163 22,165 1,166 5,168 1,169 1,170 8,173 14,176 7,181 5,183 8,185 2,186 8,189 2,191 6,193 13,196 8,200 7,203 17,205 1,206 9,211 4,214 15,218 11,221 2,223 4,224 20,227 8,231 3,234 18,238 3690,239 27.256,240 27.256,241 27.256,242 27.256,243 27.256,244 25.057,245 28.243,246 16.131,247 27.73,248 21.658,249 21.658,250 21.658,251 21.658,252 21.658,253 18.245,254 31.8,255 7.6,256 22.384,257 4.82,258 2.928,259 1.638,260 0.828,261 0.759,262 0.759,263 4.42,267 1,268 1313,269 4.743,271 239.784,272 470.355,274 208.573,277 2.136,278 39.716,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.83,288 85,289 603,290 4.589,291 4.082,292 7.627,293 4.485,294 3.502,295 4.454,296 1.956,297 13.894,298 3.436,299 4.49,300 3.538,301 6.351,302 3.994,303 3.048,304 3.689,305 1.2,306 9.799,307 2.881,308 3.937,309 3.186,310 5.817,311 3.657,312 2.678,313 3.455,314 1.058,315 7.881,316 2.634,317 3.886,318 2.957,319 5.606,320 3.571,321 2.637,322 3.307,323 0.8,324 7.733,325 2.475,326 3.679,327 2.882,328 5.479,329 3.503,330 2.512,331 2.815,332 0.293,333 7.335,334 2.447,335 3.488,336 2.784,337 5.147,338 3.244,339 2.269,340 2.702,341 0.248,342 6.327,343 2.211,344 3.416,345 2.701,346 5.103,347 3.101,348 2.171,349 2.487,351 6.232,352 2.069,353 3.25,354 2.363,355 4.957,356 3.073,357 2.076,358 2.29,360 5.787,361 2.004,362 3.03,363 2.265,364 4.709,365 2.689,366 1.672,367 2.269,369 4.325,370 1.69,371 2.965,372 2.108,373 4.402,374 2.463,375 1.53,376 2.06,378 4.266,379 1.434,380 2.806,381 1.646,382 4.176,383 2.435,384 1.437,385 1.842,387 3.381,388 1.405,389 2.643,390 1.522,391 3.618,392 2.276,393 1.305,394 1.622,396 3.059,397 1.256,398 2.5,399 1.5,400 3.606,401 2.085,402 1.102,403 1.5,405 2.54,406 1.073,407 2.281,408 1.418,409 3.53,410 2,411 1,412 1.214,414 2.275,415 1,416 2.223,417 1.214,418 3.414,419 1.967,420 1,421 1.092,423 2.228,424 0.965,425 19.433,426 0.486,427 0.907,428 0.023,429 43.75,430 1.094,431 18.5,432 0.463,433 25.25,434 0.631,435 47.016,436 1.175,437 44.167,438 0.552,439 35.351,440 0.884,441 8.036,442 0.201,443 11.4,444 0.285,445 0.077,446 0.026,447 0.247,450 0.682,451 1.313,452 0.829,453 1.058,454 0.499,455 1.022,456 0.718,457 1.093,458 0.917,459 0.961,460 0.514,461 0.998,462 0.842,463 1.092,464 1.027,465 1.1,466 0.718,467 1.086,468 1.263,469 0.993,470 0.959,471 0.939,472 1.306,473 0.947,474 1.387,475 0.87,476 1.061,477 0.888,478 1.482,479 0.881,480 1.163,481 1.112,482 1.127,483 1.118,484 1.127,485 1.051,486 1.01,487 1.046,488 1.04,489 1.042,490 1,491 1.017,492 1.049,493 0.941,494 0.902,495 0.908,496 1.048,497 0.973,498 9,499 0.233,500 4.222,501 2.417,502 2.397,503 1.08,504 0.967,505 0.678,506 0.533,507 0.416,508 27442,509 63984,510 2.101,511 50,512 7,513 20,515 1,516 2,518 10,520 1.804,521 1.992,522 3.815,523 0.099,527 120.122,528 1.502,529 3.394,530 4.684,531 5.494,532 5.562,533 5.562,534 3.326,535 4.972,536 5.29,537 4.009,538 3126.68,539 9.366,540 55307.4,544 505.754,545 1.389,546 5.26,547 0.205,548 0.004,549 0.069,550 0.04,551 0.043,552 0.019,553 0.016,554 0.011,555 0.008,556 0.007,557 0.422,558 0.17,559 0.75,560 0.598,561 226.624,562 -0.013,563 -0.098,564 0.068,565 0.015,566 0.012,567 0.026,568 0.083,569 0.057,570 0.036,571 0.059,572 0.053,573 0.007,574 0.034,575 -0.032,576 -0.036,577 -0.101,578 0.005,579 -0.097,580 -0.082,581 -0.027,582 0.021,583 0.008,584 -0.081,585 0.016,586 0.009,587 0.113,588 0.011,589 0.099,590 0.021,591 0.077,592 -0.085,593 -0.075,594 -0.054,595 -0.075,596 -0.05,597 -0.059,598 -0.036,599 -0.054,600 -0.058,601 -0.053,602 -0.024,603 -0.027,604 -0.057,605 0.041,606 -0.009,607 0.022,608 -0.058,609 0.003,610 2.122,611 6.914,612 0.65,613 51.938,614 0.992,615 1.125,616 3.23,617 10.433,618 0.659,619 3.807,620 4.127,621 4.382,622 4.615,623 4.796,624 4.828,625 4.905,626 5.043,627 5.081,628 5.159,629 8.678,630 0.611,631 560.83,632 3.807,633 5.352,634 6.196,635 7.071,636 7.933,637 8.812,638 9.684,639 10.566,640 11.444,641 12.329,642 5,645 1,648 3,653 2,654 9,658 1,659 3,661 16,662 1,670 80,672 19,673 2,674 44,676 84,677 32,678 14,679 4,680 8,681 1,683 5,684 6,688 1,691 4,692 1,694 8,696 17,697 15,698 1,699 3,703 3,705 1,707 2,713 40,714 7,715 2,716 8,717 1,720 4,721 0.8,722 3,732 2,733 3,735 1,742 1,743 1,749 1,753 4,755 1,757 1,761 40,766 12,767 2,770 1,771 2,772 1,774 1,778 3.8,781 3,785 20.083,786 14.233,787 8.847,788 5.178,789 2.28,790 1.289,791 0.971,792 9.669,793 10.162,794 4.025,795 4.541,796 5.044,797 5.549,798 6.011,799 6.226,800 6.509,801 6.878,802 6.813,803 6.891,804 1,805 60,806 14.995,807 6.484,808 7.652,809 29.31,810 24.973,811 2.152,812 86.083,815 447.302,816 185.112,817 42.27,819 75.435,821 31.278,822 153.835,823 522.737,824 42.27,825 8.825,826 67.416,827 85.286,828 107.611,829 12.068,830 2.104,831 466.808,833 447.302,834 196.105,835 75.435,836 31.278,838 329.591,839 193.146,841 79.366,842 116.739,844 31.278,845 447.302,846 117.705,847 185.112,850 447.302,851 80.006,852 111.355,853 36.022,854 75.435,855 447.302,856 117.705,857 185.112,859 0.578,860 0.338,861 0.178,862 0.095,863 28,864 12,865 0.119,866 10,867 1,868 1.077,869 5.005,870 394.322,871 0.077,872 26,873 200.877,874 1,878 28.914,879 13.376,880 7.387,881 2.145,882 117.705,883 18.426,887 1.484,888 3.008,890 36.022,891 750.119,892 55,896 38.36,898 0.933,900 -0.221,902 79.37,903 90.015,904 0.238,905 0.537,906 0.741,907 0.869,908 0.88,909 0.88,910 5.278,911 2.076,912 6.188,913 6.232,914 4.812,915 5.228,916 2.615,917 7.009,918 4.749,919 6.454,920 1.672,921 7.757,922 5.787,923 4.443,924 4.997,925 1.738,926 8.176,927 4.34,928 7.751,929 1.53,930 9.439,931 4.325,932 6.447,933 7.328,934 3.301,935 11.235,936 6.318,937 9.084,938 1.437,939 11.197,940 4.266,941 6.948,942 7.961,943 3.167,944 13.362,945 6.787,946 10.456,947 1.305,948 13.013,949 3.381,950 8.42,951 9.783,952 4.32,953 16.053,954 8.235,955 11.854,956 1.102,957 14.872,958 3.059,959 9.317,960 10.829,961 4.579,962 18.526,963 9.109,964 13.272,965 1,966 16.767,967 2.54,968 10.606,969 12.451,970 5.511,971 21.153,972 10.376,973 3.502,974 1,975 18.691,976 2.275,977 11.685,978 13.709,979 5.969,980 23.734,981 11.438,982 3.048,983 13.894,984 20.637,985 2.228,986 12.918,987 15.246,988 6.782,989 26.356,990 12.652,991 2.678,992 9.799,993 22.602,994 4.454,995 14.081,996 16.615,997 7.34,998 28.97,999 13.8,1000 2.637,1001 7.881,1002 24.58,1003 3.689,1004 15.303,1005 18.117,1006 8.09,1007 31.596,1008 15.006,1009 2.512,1010 7.733,1011 26.571,1012 3.455,1013 16.505,1014 19.543,1015 8.7,1016 34.22,1017 16.194,1018 2.269,1019 7.335,1020 28.57,1021 3.307,1022 17.731,1023 21.033,1024 9.415,1025 36.849,1026 17.405,1027 2.171,1028 6.327,1029 30.576,1030 2.815,1031 18.953,1032 22.49,1033 10.052,1034 39.477,1035 18.613,1036 25720,1037 39442,1038 29.701,1039 52.739,1040 66.028,1041 68.102,1042 67.539,1043 65.132,1044 65.006,1045 79.654,1046 11.11,1047 185.457,1048 63.04,1049 5.589,1050 6.082,1051 7.429,1052 5.606,1053 5.502,1054 7.454,1055 3.429,1056 21.313,1057 5.436,1058 17.622,1059 1.501,1060 1.548,1061 1.535,1062 1.48,1063 1.477,1064 1.81,1065 0.253,1066 4.215,1067 1.433,1068 4.1,1069 4.112,1070 4.338,1071 4.117,1072 7.453,1073 4.066,1074 3.969,1075 4.009,1076 3.892,1077 3.884,1078 7.433,1079 3.877,1080 3.89,1081 3.934,1082 3.804,1083 3.789,1084 7.424,1085 3.786,1086 3.85,1087 3.915,1088 3.742,1089 3.66,1090 4.849,1091 3.668,1092 3.653,1093 3.716,1094 3.562,1095 3.5,1096 4.752,1097 3.496,1098 3.537,1099 3.566,1100 3.517,1101 3.469,1102 4.371,1103 3.439,1104 3.4,1105 3.467,1106 3.283,1107 3.179,1108 4.314,1109 3.188,1110 3.251,1111 3.307,1112 3.176,1113 3.04,1114 4.187,1115 3.054,1116 0.104,1117 0.093,1118 0.173,1119 0.102,1120 0.08,1121 4.589,1122 0.101,1123 4.082,1124 0.044,1125 7.627,1126 0.316,1127 4.485,1128 0.078,1129 3.502,1130 4.454,1131 1.956,1132 13.894,1133 3.436,1134 1.942,1135 1.925,1136 2.077,1137 2.051,1138 1.39,1139 2.059,1140 1.933,1141 1.901,1142 2.033,1143 2.006,1144 1.276,1145 2.015,1146 1.803,1147 1.738,1148 2.002,1149 1.995,1150 1.211,1151 2.01,1152 1.729,1153 1.689,1154 1.89,1155 1.913,1156 1.198,1157 1.905,1158 1.623,1159 1.571,1160 1.86,1161 1.801,1162 1.188,1163 1.816,1164 1.577,1165 1.507,1166 1.825,1167 1.751,1168 1.098,1169 1.793,1170 1.48,1171 1.469,1172 1.609,1173 1.605,1174 0.843,1175 1.609,1176 1.321,1177 1.249,1178 1.588,1179 1.541,1180 0.825,1181 1.559,1182 4.489,1183 5.808,1184 3.045,1185 7.313,1186 5.352,1187 8.9,1188 7.424,1189 10.532,1191 2.052,1197 10.012,1198 6.559,1201 -0.021,1202 4.219,1203 -0.872,1206 48.899,1207 120.122,1208 271.525,1209 374.721,1210 439.49,1211 444.999,1212 444.999,1213 93.753,1214 7.882,1215 81.75,1216 109.99,1217 28,1218 12.863,1219 4.322,1220 3.585,1221 63.621,1222 203,1223 250,1224 0.144,1225 301.781,1226 530.14,1227 728.106,1228 29570,1230 27.951,1231 0.699,1232 0.605,1233 28.305,1234 24.18,1235 19.437,1236 0.442,1237 0.349,1238 14.465,1239 18.44,1240 14.048,1241 11.6,1242 19.845,1243 15.35,1244 17.389,1245 0.285,1246 0.204,1247 18.031,1248 12.464,1249 14.638,1250 0.185,1251 0.12,1252 15.475,1253 9.484,1254 11.884,1255 0.119,1256 0.071,1257 12.785,1258 7.074,1259 9.287,1260 0.077,1261 0.039,1262 10.058,1263 4.726,1264 0.229,1265 124.578,1266 0.183,1267 36.119,1268 0.39,1269 210,1270 532.023,1271 250.205,1272 536.735,1273 725.02,1274 502,1275 245,1276 501.546,1277 284.495,1278 527.858,1279 770.3,1280 496,1281 7.8}
{0 CHEMBL1084765,1 1.413,2 16.909,3 5.256,4 27.622,5 173.418,6 6.531,7 0.327,8 4.596,9 4.726,10 4.056,11 4.11,12 5.522,13 4.067,14 5.217,15 5.408,16 4.414,17 4.548,18 6.093,19 4.472,20 5.556,21 5.803,22 4.45,23 4.715,24 6.388,25 4.586,26 5.635,27 5.91,28 4.4,29 4.696,30 6.447,31 4.555,32 5.598,33 5.865,34 4.432,35 4.673,36 6.522,37 4.548,38 5.598,39 5.844,40 4.478,41 4.736,42 6.479,43 4.611,44 5.699,45 5.97,46 4.46,47 4.787,48 6.493,49 4.641,50 5.652,51 5.919,52 4.473,53 4.784,54 6.464,55 4.642,56 0.074,57 1.318,58 22.085,59 9.077,60 9.589,61 12.723,62 0.414,63 2.23,64 42.459,65 15.269,66 37.069,67 22.187,68 0.799,69 2.846,70 60.495,71 20.729,72 68.531,73 30.65,74 0.657,75 2.906,76 65.767,77 21.601,78 66.898,79 32.41,80 0.939,81 2.788,82 63.964,83 20.74,84 116.651,85 30.73,86 0.759,87 2.885,88 63.233,89 21.642,90 86.904,91 31.691,92 0.787,93 3.103,94 70.037,95 23.705,96 80.141,97 35.107,98 0.714,99 3.038,100 66.359,101 23.38,102 71.433,103 34.367,104 5,105 67,106 0.21,107 0.481,108 0.671,109 0.807,110 0.829,111 0.842,112 3.81,113 1.025,114 -4.11,115 -4.05,116 -3.84,119 39.1,121 9,122 1,125 8,126 1,127 1,132 10,133 2,141 2,144 2,155 18,158 7,160 2,162 4,163 18,165 2,166 9,168 2,169 1,170 7,173 11,176 8,181 5,183 5,185 2,186 11,189 2,191 6,193 10,195 1,196 11,198 1,200 6,203 15,205 1,206 7,211 3,214 16,217 1,218 12,221 2,223 4,224 21,227 10,231 3,234 16,238 5144,239 30.368,240 30.368,241 30.368,242 30.368,243 30.368,244 28.272,245 30.69,246 18.308,247 30.808,248 24.247,249 24.247,250 24.247,251 24.247,252 24.247,253 21.071,254 35.952,255 8.757,256 24.901,257 5.111,258 3.283,259 1.998,260 1.083,261 0.935,262 0.848,263 4.523,267 1,268 1650,269 4.743,271 271.326,272 711.921,274 237.875,277 2.455,278 41.626,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 94,289 744,290 4.586,291 4.082,292 7.627,293 4.485,294 3.502,295 4.425,296 1.956,297 13.894,298 3.438,299 4.47,300 3.537,301 6.335,302 4.028,303 3.025,304 3.686,305 1.058,306 9.734,307 3.032,308 3.935,309 3.011,310 5.796,311 3.674,312 2.728,313 3.455,314 0.86,315 7.823,316 2.634,317 3.828,318 2.909,319 5.619,320 3.648,321 2.664,322 3.21,323 0.8,324 7.786,325 2.582,326 3.726,327 2.862,328 5.603,329 3.454,330 2.472,331 2.727,332 0.8,333 7.686,334 2.464,335 3.486,336 2.704,337 5.331,338 3.425,339 2.441,340 2.512,341 0.248,342 6.949,343 2.345,344 3.405,345 2.697,346 5.142,347 3.229,348 2.249,349 2.448,351 6.289,352 2.198,353 3.084,354 2.461,355 4.954,356 2.995,357 2.075,358 2.298,360 5.863,361 1.906,362 3.032,363 2.257,364 4.711,365 2.689,366 1.672,367 2.207,369 4.312,370 1.689,371 3.01,372 1.926,373 4.414,374 2.532,375 1.532,376 2.084,378 4.312,379 1.532,380 2.948,381 1.782,382 4.197,383 2.514,384 1.512,385 2.052,387 3.569,388 1.511,389 2.802,390 1.532,391 3.626,392 2.435,393 1.446,394 1.834,396 3.072,397 1.433,398 2.585,399 1.523,400 3.618,401 2.303,402 1.414,403 1.559,405 3.034,406 1.255,407 2.5,408 1.418,409 3.611,410 2.241,411 1.257,412 1.5,414 2.87,415 1.219,416 2.425,417 1.309,418 3.59,419 2.057,420 1.067,421 1.425,423 2.492,424 1.051,425 20.933,426 0.476,427 0.87,428 0.02,429 45.5,430 1.034,431 17,432 0.386,433 28.5,434 0.648,435 53.971,436 1.227,437 49.867,438 0.542,439 37.138,440 0.844,441 8.27,442 0.188,443 13.291,444 0.302,445 0.032,446 0.024,447 0.229,450 0.786,451 1.419,452 0.906,453 1.224,454 0.557,455 1.096,456 0.997,457 1.229,458 1.046,459 1.125,460 0.587,461 1.088,462 0.931,463 1.067,464 1.062,465 1.062,466 0.784,467 1.07,468 1.088,469 1.021,470 0.974,471 0.967,472 1.256,473 0.951,474 1.171,475 0.888,476 0.96,477 0.863,478 1.474,479 0.878,480 1.108,481 1.087,482 1.044,483 1.048,484 1.258,485 1.038,486 1.095,487 0.961,488 0.991,489 0.929,490 1.111,491 0.943,492 0.905,493 0.945,494 0.953,495 0.951,496 0.985,497 0.955,498 8.5,499 0.23,500 4,501 2.417,502 2.357,503 0.927,504 1.004,505 0.758,506 0.49,507 0.322,508 38981,509 80086,510 2.159,511 52.2,512 4,513 27,516 2,518 15,520 1.825,521 2.087,522 3.978,523 0.058,527 129.972,528 1.413,529 3.24,530 4.525,531 5.441,532 5.589,533 5.676,534 3.447,535 4.869,536 5.427,537 4.209,538 3981.43,539 9.627,540 77283.8,544 600.168,545 1.169,546 5.415,547 0.173,548 0.004,549 0.06,550 0.037,551 0.039,552 0.014,553 0.015,554 0.011,555 0.007,556 0.005,557 0.366,558 0.33,559 0.63,560 0.327,561 258.597,562 -0.001,563 -0.14,564 0.072,565 -0.043,566 0.016,567 0.014,568 -0.005,569 -0.055,570 -0.043,571 -0.061,572 0.057,573 -0.057,574 0.06,575 -0.013,576 -0.065,577 -0.072,578 0.06,579 -0.082,580 -0.056,581 -0.04,582 0.024,583 -0.014,584 -0.035,585 0.014,586 0.03,587 0.095,588 0.059,589 0.086,590 0.086,591 0.078,592 -0.003,593 -0.068,594 -0.038,595 -0.056,596 0.019,597 -0.052,598 -0.063,599 0.016,600 0.004,601 0.038,602 -0.032,603 0.031,605 0.055,606 0.029,607 0.036,608 -0.004,609 0.035,610 2.161,611 6.991,612 0.727,613 64.215,614 0.991,615 1.13,616 2.878,617 8.285,618 0.637,619 3.912,620 4.22,621 4.477,622 4.718,623 4.898,624 4.898,625 5.004,626 5.159,627 5.193,628 5.252,629 9.822,630 0.593,631 600.88,632 3.912,633 5.451,634 6.293,635 7.162,636 8.02,637 8.893,638 9.759,639 10.636,640 11.508,641 12.387,642 4.3,645 2,648 2,653 2,654 10,657 1,659 2,661 16,662 1,670 92,672 18,673 2,674 49,676 97,677 36,678 14,679 3,680 9,681 1,683 6,684 7,691 6,692 2,694 10,696 16,697 20,698 2,699 2,703 2,707 2,712 1,713 48,714 8,715 2,716 8,720 4,721 0.833,722 4,732 2,733 4,735 1,742 1,749 2,752 1,753 5,761 44,766 17,767 2,768 1,770 2,771 2,772 1,778 4.3,781 2,782 1,783 1,785 21.083,786 15.817,787 9.681,788 6.128,789 2.031,790 1.246,791 0.968,792 10.705,793 10.271,794 4.094,795 4.582,796 5.067,797 5.557,798 5.988,799 6.147,800 6.419,801 6.783,802 6.709,803 6.83,804 1,805 65,806 16.531,807 7.168,808 7.532,809 32.73,810 28.152,811 2.032,812 89.417,815 541.471,816 164.845,817 42.27,819 70.797,822 164.845,823 612.268,824 42.27,826 80.651,827 94.762,828 70.699,829 21.515,830 10.285,831 541.471,833 541.471,834 207.115,835 70.797,838 364.904,839 236.364,840 11,841 86.9,842 120.215,845 541.471,846 113.067,847 164.845,850 541.471,851 70.083,852 101.011,853 36.022,854 70.797,855 541.471,856 113.067,857 164.845,859 0.574,860 0.333,861 0.181,862 0.096,863 31,864 12,865 0.124,866 12,867 1,868 1.063,869 5.468,870 447.468,871 0.063,872 32,873 224.215,878 31.288,879 15.054,880 8.323,881 1.553,882 113.067,883 19.749,886 5.824,888 1.463,890 36.022,891 819.383,892 59,896 27.33,900 -0.393,902 91.156,903 103.965,904 0.217,905 0.497,906 0.694,907 0.834,908 0.857,909 0.87,910 5.347,911 2.075,912 6.267,913 6.289,914 4.905,915 5.27,916 2.583,917 7.071,918 4.86,919 6.497,920 1.672,921 7.819,922 5.863,923 4.443,924 4.945,925 1.738,926 8.191,927 4.386,928 7.78,929 1.532,930 9.486,931 4.312,932 6.515,933 7.316,934 3.225,935 11.262,936 6.43,937 9.099,938 1.512,939 11.234,940 4.312,941 6.957,942 7.901,943 3.141,944 13.373,945 6.87,946 10.459,947 1.446,948 13.041,949 3.569,950 8.466,951 9.744,952 4.271,953 16.062,954 8.352,955 11.848,956 1.414,957 14.895,958 3.072,959 9.33,960 10.767,961 4.564,962 18.53,963 9.213,964 13.26,965 1.257,966 16.785,967 3.034,968 10.632,969 12.398,970 5.488,971 21.155,972 10.494,973 3.502,974 1.067,975 18.705,976 2.87,977 11.695,978 13.644,979 5.962,980 23.734,981 11.548,982 3.025,983 13.894,984 20.648,985 2.492,986 12.931,987 15.183,988 6.773,989 26.356,990 12.765,991 2.728,992 9.734,993 22.61,994 4.425,995 14.085,996 16.542,997 7.337,998 28.97,999 13.907,1000 2.664,1001 7.823,1002 24.586,1003 3.686,1004 15.308,1005 18.043,1006 8.087,1007 31.595,1008 15.111,1009 2.472,1010 7.786,1011 26.575,1012 3.455,1013 16.505,1014 19.461,1015 8.698,1016 34.22,1017 16.293,1018 2.441,1019 7.686,1020 28.573,1021 3.21,1022 17.731,1023 20.947,1024 9.414,1025 36.848,1026 17.5,1027 2.249,1028 6.949,1029 30.578,1030 2.727,1031 18.95,1032 22.396,1033 10.051,1034 39.477,1035 18.702,1036 35658,1037 51420,1038 33.86,1039 58.592,1040 72.808,1041 74.076,1042 74.022,1043 72.374,1044 72.33,1045 86.082,1046 11.445,1047 202.658,1048 70.66,1049 5.586,1050 6.082,1051 7.429,1052 5.56,1053 5.502,1054 7.425,1055 3.429,1056 21.313,1057 5.438,1058 12.637,1059 1.486,1060 1.512,1061 1.511,1062 1.477,1063 1.476,1064 1.757,1065 0.234,1066 4.136,1067 1.442,1068 4.113,1069 4.125,1070 4.075,1071 4.008,1072 7.434,1073 4.021,1074 3.978,1075 4.021,1076 3.89,1077 3.884,1078 7.424,1079 3.879,1080 3.897,1081 3.955,1082 3.802,1083 3.789,1084 5.111,1085 3.786,1086 3.888,1087 3.928,1088 3.784,1089 3.739,1090 4.755,1091 3.74,1092 3.77,1093 3.829,1094 3.637,1095 3.608,1096 4.616,1097 3.605,1098 3.637,1099 3.702,1100 3.502,1101 3.48,1102 4.389,1103 3.476,1104 3.492,1105 3.52,1106 3.421,1107 3.338,1108 4.384,1109 3.354,1110 3.377,1111 3.449,1112 3.238,1113 3.169,1114 4.306,1115 3.171,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.586,1122 0.09,1123 4.082,1124 0.04,1125 7.627,1126 0.284,1127 4.485,1128 0.07,1129 3.502,1130 4.425,1131 1.956,1132 13.894,1133 3.438,1134 1.933,1135 1.901,1136 2.082,1137 2.068,1138 1.443,1139 2.075,1140 1.915,1141 1.896,1142 2.059,1143 2.028,1144 1.38,1145 2.04,1146 1.861,1147 1.803,1148 2.015,1149 1.992,1150 1.264,1151 1.999,1152 1.763,1153 1.712,1154 1.974,1155 1.946,1156 1.211,1157 1.959,1158 1.715,1159 1.668,1160 1.883,1161 1.918,1162 1.198,1163 1.903,1164 1.61,1165 1.553,1166 1.86,1167 1.799,1168 1.117,1169 1.811,1170 1.577,1171 1.507,1172 1.825,1173 1.751,1174 1.1,1175 1.793,1176 1.45,1177 1.439,1178 1.596,1179 1.653,1180 0.853,1181 1.623,1182 4.595,1183 5.905,1184 3.045,1185 7.403,1186 5.352,1187 8.983,1188 7.424,1189 10.606,1197 16.759,1198 6.516,1199 5.535,1201 0.782,1202 5.208,1203 -0.911,1206 54.534,1207 129.972,1208 298.102,1209 416.319,1210 500.558,1211 514.168,1212 522.168,1213 95.23,1214 8.24,1215 87.05,1216 87.05,1217 34,1218 12.925,1219 4.248,1220 3.459,1221 66.01,1222 248,1223 308,1224 0.118,1225 328.55,1226 579.9,1227 793.422,1228 50396,1230 30.194,1231 0.686,1232 0.59,1233 30.194,1234 25.976,1235 21.56,1236 0.44,1237 0.342,1238 16.554,1239 20.836,1240 16.264,1241 13.355,1242 21.56,1243 16.747,1244 19.087,1245 0.285,1246 0.195,1247 19.087,1248 13.092,1249 16.116,1250 0.185,1251 0.114,1252 16.116,1253 9.903,1254 13.35,1255 0.12,1256 0.065,1257 13.35,1258 7.258,1259 10.565,1260 0.079,1261 0.037,1262 10.565,1263 4.957,1264 0.191,1265 134.348,1266 0.172,1267 39.368,1268 0.312,1269 232,1270 572.898,1271 252.118,1272 544.821,1273 744.76,1274 514,1275 270,1276 539.633,1277 291.757,1278 542.626,1279 797.71,1280 513,1281 8.2}
{0 CHEMBL124208,1 1.539,2 13.2,3 3.996,4 15.966,5 114.537,6 7.277,7 0.471,8 4.133,9 4.252,10 3.692,11 3.675,12 5.162,13 3.654,14 4.725,15 4.898,16 4.094,17 4.113,18 5.758,19 4.072,20 5.024,21 5.233,22 4.084,23 4.271,24 5.937,25 4.178,26 5.143,27 5.4,28 3.954,29 4.231,30 6.002,31 4.099,32 5.034,33 5.311,34 3.913,35 4.092,36 5.952,37 3.976,38 4.895,39 5.132,40 3.832,41 4.022,42 5.889,43 3.925,44 4.845,45 5.086,46 3.748,47 4.011,48 5.743,49 3.892,50 4.802,51 5.057,52 3.634,53 3.956,54 5.64,55 3.814,56 0.015,57 0.885,58 11.86,59 5.341,60 6.632,61 6.961,62 0.35,63 1.493,64 23.688,65 9.028,66 31.059,67 12.225,68 0.312,69 1.864,70 33.82,71 12.865,72 42.2,73 17.203,74 0.52,75 1.915,76 40.648,77 13.911,78 58.154,79 19.514,80 0.487,81 1.737,82 37.069,83 12.421,84 60.078,85 17.731,86 0.493,87 1.528,88 31.848,89 11.094,90 70.079,91 14.634,92 0.42,93 1.482,94 29.572,95 10.431,96 47.143,97 14.423,98 0.251,99 1.393,100 28.166,101 10.495,102 38.777,103 14.709,104 5,105 49,106 0.252,107 0.575,108 0.744,109 0.837,110 0.845,111 0.845,112 3.44,113 0.935,114 -4.26,115 -4.2,116 -3.97,119 42.9,121 3,125 5,127 1,132 8,133 3,134 1,140 1,141 1,145 1,155 10,157 3,158 6,162 3,163 11,166 5,170 3,173 7,175 1,176 7,183 4,185 1,186 6,189 1,193 5,195 1,196 6,203 6,206 6,211 2,214 6,218 5,224 4,227 5,229 1,234 3,238 1388,239 20.516,240 20.516,241 20.516,242 20.516,243 20.516,244 18.453,245 23.514,246 11.97,247 20.94,248 16.793,249 16.793,250 16.793,251 16.793,252 16.793,253 13.719,254 31.488,255 5.726,256 17.506,257 4.268,258 2.295,259 1.263,260 0.692,261 0.643,262 0.643,263 4.152,266 1,267 1,268 888,269 3.162,271 158.123,272 290.645,274 136.157,277 2.267,278 29.173,280 1,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.9,288 65,289 396,290 4.548,291 3.962,292 7.27,293 4.38,294 3.438,295 4.502,296 2.209,297 12.975,298 3.233,299 4.465,300 3.305,301 6.544,302 4.072,303 3.088,304 3.55,305 0.8,306 10.345,307 3.038,308 3.933,309 3.199,310 5.956,311 3.642,312 2.679,313 3.414,314 0.796,315 8.391,316 2.585,317 3.668,318 2.804,319 5.339,320 3.388,321 2.441,322 3.065,323 0.247,324 6.939,325 2.308,326 3.634,327 2.775,328 5.275,329 3.257,330 2.293,331 2.797,333 6.644,334 2.192,335 3.405,336 2.696,337 5.131,338 3.157,339 2.221,340 2.669,342 6.154,343 2.063,344 3.265,345 2.102,346 4.948,347 2.864,348 1.901,349 2.349,351 5.681,352 1.816,353 2.927,354 2.056,355 4.333,356 2.501,357 1.512,358 2.082,360 3.743,361 1.49,362 2.72,363 1.477,364 4.133,365 2.249,366 1.27,367 1.817,369 3.448,370 1.242,371 2.5,372 1.33,373 3.802,374 2.146,375 1.196,376 1.5,378 2.942,379 1.119,380 2.462,381 1.077,382 3.619,383 2,384 1,385 1.399,387 2.372,388 1,389 2.235,390 1.034,391 3.526,392 1.984,393 1,394 1.148,396 2.136,397 0.983,398 2,399 1,400 3.299,401 1.857,402 0.901,403 1,405 2.077,406 0.857,407 1.769,408 0.879,409 3.247,410 1.521,411 0.56,412 0.667,414 1.355,415 0.536,416 1.203,417 0.646,418 3.062,419 1.05,420 0.082,421 0.089,423 0.216,424 0.079,425 14.152,426 0.472,427 0.743,428 0.025,429 35.5,430 1.183,431 15.5,432 0.517,433 20,434 0.667,435 27.612,436 0.92,437 32.648,438 0.583,439 25.475,440 0.849,441 6.977,442 0.233,443 7.624,444 0.254,445 0.044,446 0.035,447 0.269,449 1,450 0.677,451 1.215,452 0.767,453 1.11,454 0.511,455 0.981,456 0.714,457 0.996,458 0.891,459 0.977,460 0.473,461 0.955,462 1.026,463 1.101,464 1.109,465 1.159,466 0.776,467 1.152,468 0.98,469 0.94,470 1.068,471 1.018,472 0.863,473 1.053,474 0.808,475 0.793,476 0.848,477 0.88,478 0.861,479 0.87,480 1.353,481 0.932,482 1.085,483 0.933,484 1.46,485 0.962,486 0.995,487 0.856,488 1.104,489 0.998,490 0.874,491 1.056,492 0.746,493 0.955,494 1.016,495 1.085,496 0.745,497 1.099,498 7,499 0.14,500 3.333,501 2.118,502 1.708,503 0.861,504 0.581,505 0.346,506 0.258,507 0.214,508 14206,509 35474,510 2.177,511 46.4,513 18,514 1,516 1,518 2,519 4,520 1.722,521 2.081,522 3.677,523 -0.382,525 1,527 86.206,528 1.539,529 3.512,530 4.544,531 5.115,532 5.164,533 5.164,534 3.127,535 4.19,536 4.878,537 3.872,538 1684.38,539 8.474,540 24311.1,542 1,543 1,544 325.212,545 1.35,546 4.852,547 0.206,548 0.006,549 0.068,550 0.046,551 0.045,552 0.023,553 0.017,554 0.011,555 0.009,556 0.009,557 0.44,558 0.33,559 0.88,560 0.424,561 157.008,562 -0.018,563 -0.142,564 0.067,565 -0.048,566 -0.006,567 0.012,568 0.117,569 0.031,570 0.015,571 0.016,572 0.105,573 0.005,574 -0.11,575 -0.131,576 -0.164,577 -0.16,578 -0.048,579 -0.17,580 -0.068,581 -0.087,582 -0.081,583 -0.066,584 -0.05,585 -0.077,586 0.071,587 0.059,588 0.153,589 0.059,590 0.057,591 0.11,592 -0.128,593 0.027,594 -0.066,595 0.044,596 -0.13,597 0.006,598 -0.074,599 0.063,600 -0.132,601 -0.028,602 -0.067,603 -0.079,604 -0.034,605 -0.103,606 -0.066,607 -0.103,608 -0.047,609 -0.093,610 1.869,611 5.59,612 0.833,613 33.733,614 1.001,615 1.129,616 3.031,617 9.188,618 0.661,619 3.555,620 3.912,621 4.19,622 4.477,623 4.71,624 4.727,625 4.852,626 5.017,627 5.037,628 5.13,629 7.785,630 0.629,631 407.53,632 3.555,633 5.118,634 5.979,635 6.874,636 7.753,637 8.652,638 9.539,639 10.44,640 11.332,641 12.234,642 5.4,645 1,648 1,649 1,653 2,654 9,656 1,659 3,661 16,669 1,670 56,672 17,673 2,674 34,676 60,677 24,678 14,679 4,680 8,683 5,684 6,691 2,692 1,694 3,696 15,697 9,698 1,699 1,703 1,707 1,710 1,711 1,713 26,714 5,715 1,716 6,720 3,721 0.6,722 2,729 1,732 2,733 3,735 1,749 1,750 1,753 3,759 1,761 30,766 8,768 1,771 2,772 1,777 1,778 3.6,781 1,783 1,785 14.417,786 9.876,787 6.417,788 3.495,789 2.848,790 1.348,791 1.012,792 5.256,793 11.032,794 3.784,795 4.366,796 4.901,797 5.452,798 5.915,799 6.06,800 6.359,801 6.688,802 6.529,803 6.629,804 0.889,805 46,806 11.195,807 4.933,808 7.708,809 21.751,810 18.82,811 2.208,812 66.25,813 1,814 1,815 294.278,816 129.961,817 23.034,819 36.145,820 14.96,822 129.961,823 330.422,824 37.994,826 21.256,827 84.857,828 25.145,829 48.975,830 35.638,831 282.506,833 294.278,834 152.995,835 51.105,838 238.611,839 106.771,841 41.166,842 111.829,845 309.238,846 59.179,847 129.961,850 294.278,851 45.104,852 91.106,853 16.786,854 51.105,855 294.278,856 74.139,857 129.961,859 0.589,860 0.341,861 0.185,862 0.106,863 26,864 10,865 0.083,866 5,867 1,868 1.12,869 4.332,870 270.435,871 0.08,872 26,873 137.207,878 19.591,879 8.049,880 4.127,881 1.935,882 57.354,883 16.9,885 3.224,888 2.066,890 16.786,891 498.378,892 43,896 12.423,900 -0.201,902 56.076,903 63.236,904 0.265,905 0.605,906 0.782,907 0.881,908 0.889,909 0.889,910 5.05,911 1.512,912 5.989,913 5.681,914 4.595,915 5.053,916 2.458,917 6.838,918 4.512,919 6.25,920 1.27,921 7.571,922 3.743,923 4.29,924 4.868,925 1.905,926 8.023,927 4.142,928 7.566,929 1.196,930 9.261,931 3.448,932 6.267,933 7.214,934 3.555,935 11.062,936 6.098,937 8.916,938 1,939 11.02,940 2.942,941 6.804,942 7.869,943 3.668,944 13.129,945 6.566,946 10.299,947 1,948 12.827,949 2.372,950 8.268,951 9.714,952 4.963,953 15.771,954 8.006,955 11.706,956 0.901,957 14.668,958 2.136,959 9.179,960 10.782,961 5.376,962 18.156,963 8.851,964 13.132,965 0.56,966 16.537,967 2.077,968 10.462,969 12.423,970 6.463,971 20.711,972 10.1,973 3.438,974 0.082,975 18.425,976 1.355,977 11.541,978 13.707,979 7.034,980 23.205,981 11.115,982 3.088,983 12.975,984 20.33,985 0.216,986 12.766,987 15.262,988 8,989 25.749,990 12.295,991 2.679,992 10.345,993 22.248,994 4.502,995 13.919,996 16.656,997 8.661,998 28.28,999 13.386,1000 2.441,1001 8.391,1002 24.176,1003 3.55,1004 15.129,1005 18.176,1006 9.557,1007 30.828,1008 14.543,1009 2.293,1010 6.939,1011 26.113,1012 3.414,1013 16.316,1014 19.625,1015 10.271,1016 33.374,1017 15.669,1018 2.221,1019 6.644,1020 28.056,1021 3.065,1022 17.526,1023 21.132,1024 11.125,1025 35.927,1026 16.821,1027 1.901,1028 6.154,1029 30.006,1030 2.797,1031 18.73,1032 22.609,1033 11.871,1034 38.48,1035 17.962,1036 12972,1037 20628,1038 23.345,1039 37,1040 51.65,1041 52.459,1042 52.739,1043 51.283,1044 51.166,1045 64.097,1046 8.105,1047 150.836,1048 49.077,1049 5.548,1050 5.962,1051 7.072,1052 5.463,1053 5.438,1054 7.502,1055 3.913,1056 19.731,1057 5.233,1058 10.384,1059 1.519,1060 1.543,1061 1.551,1062 1.508,1063 1.505,1064 1.885,1065 0.238,1066 4.436,1067 1.443,1068 4.135,1069 4.169,1070 4.093,1071 4.046,1072 8.201,1073 4.054,1074 3.979,1075 4.018,1076 3.907,1077 3.868,1078 7.433,1079 3.867,1080 3.865,1081 3.905,1082 3.78,1083 3.747,1084 4.931,1085 3.751,1086 3.609,1087 3.664,1088 3.518,1089 3.425,1090 4.757,1091 3.433,1092 3.455,1093 3.507,1094 3.378,1095 3.271,1096 4.557,1097 3.292,1098 3.253,1099 3.332,1100 3.117,1101 3.057,1102 4.194,1103 3.061,1104 3.111,1105 3.206,1106 2.914,1107 2.941,1108 4.11,1109 2.91,1110 3.045,1111 3.106,1112 2.866,1113 2.874,1114 3.844,1115 2.875,1116 0.134,1117 0.117,1118 0.214,1119 0.129,1120 0.101,1121 4.548,1122 0.132,1123 3.962,1124 0.065,1125 7.27,1126 0.382,1127 4.38,1128 0.095,1129 3.438,1130 4.502,1131 2.209,1132 12.975,1133 3.233,1134 1.936,1135 1.914,1136 2.059,1137 2.046,1138 1.432,1139 2.053,1140 1.913,1141 1.882,1142 2.034,1143 2.01,1144 1.222,1145 2.017,1146 1.837,1147 1.786,1148 1.995,1149 1.991,1150 1.161,1151 1.997,1152 1.617,1153 1.564,1154 1.807,1155 1.791,1156 1.026,1157 1.8,1158 1.404,1159 1.343,1160 1.609,1161 1.667,1162 0.827,1163 1.644,1164 1.256,1165 1.193,1166 1.513,1167 1.526,1168 0.825,1169 1.51,1170 1.153,1171 1.064,1172 1.477,1173 1.376,1174 0.63,1175 1.429,1176 1.04,1177 0.984,1178 1.319,1179 1.308,1180 0.516,1181 1.298,1182 4.234,1183 5.58,1184 3.045,1185 7.112,1186 5.476,1187 8.727,1188 7.618,1189 10.387,1193 13.59,1197 6.571,1199 5.858,1202 4.239,1203 -0.355,1206 35.199,1207 86.206,1208 196.683,1209 254.457,1210 286.457,1211 289.212,1212 289.212,1213 51.266,1214 8.184,1215 48.57,1216 48.57,1217 28,1218 12.756,1219 4.17,1220 3.322,1221 41.937,1222 145,1223 125,1224 0.143,1225 210.174,1226 364.79,1227 504.585,1228 47102,1229 1.8,1230 20.554,1231 0.685,1232 0.565,1233 19.684,1234 16.942,1235 14.601,1236 0.429,1237 0.312,1238 10.455,1239 14.041,1240 10.262,1241 8.392,1242 14.207,1243 10.6,1244 13.586,1245 0.277,1246 0.173,1247 12.952,1248 8.488,1249 11.551,1250 0.178,1251 0.099,1252 11.209,1253 6.451,1254 9.718,1255 0.112,1256 0.054,1257 9.51,1258 4.699,1259 8.193,1260 0.074,1261 0.032,1262 7.843,1263 3.482,1264 0.231,1265 91.452,1266 0.207,1267 28.888,1268 0.374,1269 166,1270 483.205,1271 183.465,1272 439.451,1273 597.23,1274 412,1275 197,1276 438.144,1277 214.27,1278 436.818,1279 642.94,1280 411,1281 8.6}
{0 CHEMBL158318,1 1.649,2 9.68,3 3.557,4 12.654,5 98.548,6 9.309,7 0.586,8 3.771,9 3.861,10 3.594,11 3.457,12 4.959,13 3.43,14 4.244,15 4.355,16 3.998,17 3.836,18 5.419,19 3.807,20 4.436,21 4.597,22 4.025,23 3.895,24 5.604,25 3.857,26 4.446,27 4.609,28 4.094,29 3.871,30 5.738,31 3.832,32 4.346,33 4.501,34 3.961,35 3.854,36 5.512,37 3.773,38 4.28,39 4.437,40 3.764,41 3.728,42 5.501,43 3.645,44 4.133,45 4.299,46 3.519,47 3.511,48 5.356,49 3.425,50 3.9,51 4.087,52 3.161,53 3.251,54 5.013,55 3.154,56 0.047,57 0.545,58 4.561,59 2.833,60 4.104,61 3.029,62 0.163,63 0.928,64 9.742,65 4.718,66 8.043,67 4.934,68 0.154,69 1.09,70 13.246,71 6.277,72 16.345,73 6.927,74 0.405,75 1.15,76 15.89,77 6.385,78 34.441,79 6.35,80 0.18,81 1.015,82 15.69,83 6.526,84 19.908,85 6.418,86 0.186,87 0.922,88 15.215,89 6.286,90 24.733,91 5.967,92 0.211,93 0.791,94 14.251,95 5.559,96 30.04,97 5.05,98 0.179,99 0.637,100 10.929,101 4.203,102 21.935,103 3.956,104 2,105 42,106 0.289,107 0.542,108 0.662,109 0.772,110 0.827,111 0.836,112 3.269,113 0.9,114 -5.41,115 -5.29,116 -4.94,119 51.4,130 1,131 1,132 10,133 2,134 1,135 1,142 1,144 1,145 1,151 1,155 10,157 3,158 10,163 10,165 1,166 6,173 6,175 5,176 11,183 6,186 9,193 6,196 11,203 6,206 10,214 3,218 6,224 3,227 2,234 6,238 734,239 17.552,240 17.552,241 17.552,242 17.552,243 17.552,244 15.043,245 16.527,246 10.351,247 17.952,248 14.348,249 14.348,250 14.348,251 14.348,252 14.348,253 10.584,254 18.493,255 4.923,256 15.042,257 3.56,258 2.115,259 1.425,260 0.798,261 0.486,262 0.432,263 3.985,265 1,266 1,267 1,268 551,269 2.121,271 85.876,272 176.847,274 145.96,276 101.058,277 1.747,278 18.288,279 1,280 0.75,281 1,282 1,283 0.4,285 1,286 1,287 0.74,288 53,289 242,290 4.674,291 4.595,292 7.049,293 4.311,294 3.366,295 4.328,296 3.659,297 12.09,298 3.189,299 4.351,300 3.675,301 6.654,302 3.97,303 3.023,304 3.852,305 1.187,306 10.688,307 2.869,308 3.974,309 3.169,310 6.029,311 3.58,312 2.591,313 3.49,314 0.63,315 8.503,316 2.556,317 3.706,318 2.924,319 5.659,320 3.251,321 2.311,322 3.116,323 0.218,324 7.36,325 2.169,326 3.481,327 2.717,328 5.247,329 2.996,330 2.041,331 2.748,333 6.153,334 1.924,335 3.221,336 2.368,337 4.533,338 2.672,339 1.701,340 2.467,342 4.303,343 1.639,344 2.923,345 1.977,346 4.256,347 2.477,348 1.493,349 2.064,351 3.633,352 1.466,353 2.666,354 1.638,355 3.938,356 2.128,357 1.192,358 1.691,360 2.96,361 1.111,362 2.5,363 1.428,364 3.552,365 2,366 1,367 1.5,369 2.62,370 1,371 2.5,372 1.337,373 3.494,374 2,375 1,376 1.5,378 2.509,379 1,380 2.499,381 1.017,382 3.414,383 1.946,384 1,385 1.45,387 2.136,388 0.938,389 2.39,390 1,391 3.247,392 1.925,393 1,394 1.324,396 2.136,397 0.909,398 1.886,399 1,400 3.247,401 1.492,402 0.565,403 0.703,405 1.453,406 0.507,407 1.341,408 0.589,409 2.882,410 0.797,411 -0.173,412 -0.241,414 -0.463,415 -0.166,416 0.824,417 0.394,418 2.569,419 0.431,420 -0.519,421 -0.637,423 -1.286,424 -0.484,425 12.267,426 0.491,427 0.518,428 0.021,429 37.75,430 1.51,431 21,432 0.84,433 16.75,434 0.67,435 16.538,436 0.662,437 23.733,438 0.641,439 25.738,440 1.03,441 7.392,442 0.296,443 4.935,444 0.197,445 0.027,447 0.351,450 0.633,451 1.058,452 0.626,453 0.798,454 0.542,455 0.744,456 0.622,457 1.209,458 0.829,459 1.047,460 0.632,461 0.918,462 0.997,463 1.155,464 0.709,465 0.878,466 0.854,467 0.869,468 1.122,469 0.882,470 0.84,471 0.828,472 1.292,473 0.773,474 1.152,475 1.059,476 1.189,477 1.077,478 1.008,479 0.934,480 1.455,481 1.064,482 1.37,483 1.192,484 1.483,485 1.085,486 1.82,487 1.06,488 1.485,489 1.197,490 2.026,491 1.111,492 1.677,493 0.984,494 1.431,495 1.097,496 1.644,497 1.144,498 3,499 0.008,500 2.889,501 1.785,502 1.678,503 0.806,504 0.466,505 0.293,506 0.186,507 0.06,508 7315,509 19734,510 2.251,511 32.4,513 10,514 1,515 1,520 1.682,521 2.174,522 3.242,523 -0.751,525 1,527 61.02,528 1.649,529 3.095,530 3.784,531 4.412,532 4.723,533 4.777,534 2.739,535 4.004,536 4.611,537 3.358,538 1007.39,539 7.988,540 11518.5,541 1,542 1,543 1,544 192.75,545 1.159,546 4.603,547 0.103,548 0.001,549 0.069,550 0.042,551 0.04,552 0.022,553 0.015,554 0.012,555 0.011,556 0.005,557 0.32,558 0.33,559 0.88,560 0.372,561 118.138,562 0.058,563 -0.076,564 0.067,565 -0.003,566 -0.055,567 0.001,568 0.212,569 -0.181,570 -0.013,571 -0.193,572 -0.035,573 -0.14,574 0.001,575 -0.153,576 0.122,577 -0.009,578 0.047,579 0.029,580 0.252,581 0.197,582 0.167,583 0.133,584 0.124,585 0.118,586 -0.148,587 -0.033,588 -0.028,589 0.004,590 -0.03,591 0.011,592 -0.253,593 -0.066,594 -0.23,595 -0.12,596 -0.082,597 -0.133,598 -0.372,599 -0.058,600 -0.309,601 -0.105,602 -0.228,603 -0.137,604 -0.409,605 0.033,606 -0.356,607 -0.072,608 -0.269,609 -0.157,610 1.762,611 6.064,612 0.96,613 21.872,614 1.009,615 1.102,616 4.176,617 17.435,618 0.761,619 3.401,620 3.761,621 4.143,622 4.5,623 4.754,624 4.927,625 5.153,626 5.366,627 5.472,628 5.572,629 5.552,630 0.732,631 344.42,632 3.401,633 4.963,634 5.861,635 6.774,636 7.691,637 8.616,638 9.542,639 10.473,640 11.404,641 12.338,642 10.8,648 1,649 1,650 1,651 1,654 11,655 1,659 4,660 1,661 17,663 1,670 37,672 20,673 2,674 29,676 41,677 19,678 15,679 2,680 10,681 4,683 5,684 8,696 19,699 3,703 1,705 1,706 1,707 3,709 1,710 1,713 12,714 4,716 6,717 1,720 4,721 0.6,722 1,726 1,732 2,733 3,735 2,737 1,746 1,753 3,754 1,755 1,761 25,769 1,771 1,778 2.7,781 1,785 11.5,786 6.883,787 5.389,788 2.172,789 3.796,790 1.474,791 1.079,792 3.284,793 11.812,794 3.726,795 4.347,796 4.996,797 5.635,798 6.138,799 6.493,800 6.974,801 7.443,802 7.827,803 8.194,804 0.857,805 43,806 9.223,807 4.085,808 7.68,809 17.593,810 14.923,811 2.18,812 54.5,815 141.253,816 163.481,817 38.349,819 25.145,821 32.22,822 131.262,823 166.398,824 38.349,826 10.966,827 94.762,828 61.04,829 39.065,830 12.464,831 149.931,833 141.253,834 169.611,835 25.145,836 32.22,838 141.253,839 25.145,841 33.062,842 117.13,843 19.42,844 32.22,845 141.253,846 63.494,847 163.481,850 141.253,851 51.83,852 116.552,854 58.593,855 141.253,856 63.494,857 163.481,859 0.583,860 0.36,861 0.212,862 0.115,863 24,864 9,865 0.049,866 2,867 2,868 1.167,869 3.733,870 229.778,871 0.167,872 24,873 108.096,874 1,878 14.554,879 5.641,880 2.235,882 61.718,883 21.168,884 4.377,888 2.968,889 1.707,891 368.229,892 40.5,896 13.064,898 1.97,899 4.703,900 1.42,902 37.345,903 40.783,904 0.317,905 0.594,906 0.726,907 0.847,908 0.907,909 0.917,910 4.972,911 1.192,912 5.849,913 3.633,914 4.443,915 5.034,916 3.414,917 6.735,918 4.352,919 6.189,920 1,921 7.445,922 2.96,923 4.007,924 4.705,925 2.048,926 7.774,927 3.867,928 7.507,929 1,930 9.149,931 2.62,932 6.089,933 7.222,934 5.803,935 10.964,936 5.902,937 8.866,938 1,939 10.919,940 2.509,941 6.567,942 7.785,943 4.991,944 12.872,945 6.319,946 10.261,947 1,948 12.732,949 2.136,950 8.074,951 9.701,952 8.339,953 15.573,954 7.786,955 11.682,956 0.565,957 14.574,958 2.136,959 8.955,960 10.691,961 7.867,962 17.812,963 8.601,964 13.124,965 -0.173,966 16.437,967 1.453,968 10.251,969 12.348,970 10.891,971 20.358,972 9.853,973 3.366,974 -0.519,975 18.314,976 -0.463,977 11.308,978 13.557,979 10.665,980 22.73,981 10.847,982 3.023,983 12.09,984 20.202,985 -1.286,986 12.529,987 15.096,988 13.446,989 25.225,990 12.019,991 2.591,992 10.688,993 22.098,994 4.328,995 13.663,996 16.419,997 13.414,998 27.655,999 13.092,1000 2.311,1001 8.503,1002 24.002,1003 3.852,1004 14.861,1005 17.905,1006 16.004,1007 30.135,1008 14.238,1009 2.041,1010 7.36,1011 25.911,1012 3.49,1013 16.029,1014 19.288,1015 16.131,1016 32.59,1017 15.347,1018 1.701,1019 6.153,1020 27.825,1021 3.116,1022 17.223,1023 20.752,1024 18.564,1025 35.067,1026 16.487,1027 1.493,1028 4.303,1029 29.743,1030 2.748,1031 18.407,1032 22.168,1033 18.824,1034 37.535,1035 17.613,1036 6678,1037 11140,1038 20.285,1039 28.171,1040 45.234,1041 48.07,1042 45.326,1043 44.575,1044 44.569,1045 60.465,1046 11.389,1047 133.087,1048 42.554,1049 5.57,1050 6.595,1051 6.851,1052 5.447,1053 5.366,1054 7.328,1055 7.14,1056 19.849,1057 5.189,1058 5.832,1059 1.56,1060 1.658,1061 1.563,1062 1.537,1063 1.537,1064 2.085,1065 0.393,1066 4.589,1067 1.467,1068 4.082,1069 4.123,1070 4.153,1071 3.961,1072 7.428,1073 3.968,1074 3.918,1075 3.948,1076 3.914,1077 3.852,1078 5.014,1079 3.849,1080 3.787,1081 3.819,1082 3.757,1083 3.699,1084 4.779,1085 3.699,1086 3.508,1087 3.548,1088 3.631,1089 3.441,1090 4.674,1091 3.403,1092 3.047,1093 3.059,1094 3.121,1095 2.827,1096 4.46,1097 2.858,1098 2.913,1099 2.965,1100 2.887,1101 2.799,1102 3.992,1103 2.786,1104 2.854,1105 2.925,1106 2.687,1107 2.735,1108 3.674,1109 2.715,1110 2.854,1111 2.925,1112 2.687,1113 2.735,1114 3.674,1115 2.715,1116 0.161,1117 0.158,1118 0.243,1119 0.149,1120 0.116,1121 4.674,1122 0.149,1123 4.595,1124 0.126,1125 7.049,1126 0.417,1127 4.311,1128 0.11,1129 3.366,1130 4.328,1131 3.659,1132 12.09,1133 3.189,1134 1.916,1135 1.89,1136 2.025,1137 2.022,1138 1.112,1139 2.018,1140 1.899,1141 1.868,1142 2.014,1143 1.987,1144 1.083,1145 1.999,1146 1.654,1147 1.631,1148 1.685,1149 1.815,1150 0.802,1151 1.783,1152 1.321,1153 1.3,1154 1.394,1155 1.537,1156 0.57,1157 1.492,1158 1.234,1159 1.163,1160 1.342,1161 1.387,1162 0.332,1163 1.416,1164 0.94,1165 0.914,1166 1.181,1167 1.065,1168 0.218,1169 1.107,1170 0.886,1171 0.821,1172 1.181,1173 1.062,1174 0.218,1175 1.107,1176 0.886,1177 0.821,1178 1.022,1179 1.062,1180 0.186,1181 1.086,1182 4.078,1183 5.425,1184 3.045,1185 6.984,1186 5.416,1187 8.64,1188 7.554,1189 10.349,1200 1.456,1202 1.666,1206 27.095,1207 61.02,1208 114.511,1209 140.021,1210 163.24,1211 174.75,1212 176.75,1213 30.923,1214 8.016,1215 52.19,1216 80.43,1217 28,1218 12.838,1219 4.392,1220 3.644,1221 32.032,1222 86,1223 80,1224 0.196,1225 166.161,1226 285.02,1227 397.193,1228 32591,1230 16.803,1231 0.672,1232 0.554,1233 17.156,1234 13.85,1235 12.326,1236 0.425,1237 0.3,1238 7.805,1239 11.528,1240 7.591,1241 6.271,1242 12.781,1243 8.696,1244 11.039,1245 0.263,1246 0.154,1247 11.589,1248 6.488,1249 10.211,1250 0.165,1251 0.08,1252 10.866,1253 4.983,1254 9.263,1255 0.104,1256 0.043,1257 10.127,1258 3.85,1259 7.523,1260 0.065,1261 0.023,1262 8.371,1263 2.639,1264 0.298,1265 80.977,1266 0.222,1267 23.836,1268 0.565,1269 142,1270 401.176,1271 177.323,1272 416.505,1273 589.82,1274 392,1275 175,1276 444.597,1277 209.443,1278 463.572,1279 691.83,1280 438,1281 7.3}
{0 CHEMBL170542,1 1.579,2 13.938,3 2.51,4 6.302,5 119.617,6 7.571,7 0.471,8 4.12,9 4.246,10 3.68,11 3.662,12 5.31,13 3.645,14 4.632,15 4.8,16 4.023,17 4.037,18 5.78,19 3.993,20 4.935,21 5.146,22 4.099,23 4.156,24 6.128,25 4.094,26 4.986,27 5.201,28 4.037,29 4.112,30 6.23,31 4.059,32 4.937,33 5.152,34 4.047,35 4.069,36 6.342,37 4.008,38 4.93,39 5.17,40 3.968,41 4.069,42 6.133,43 3.986,44 4.939,45 5.19,46 3.918,47 3.99,48 6.186,49 3.922,50 4.752,51 4.965,52 3.845,53 3.887,54 6.15,55 3.827,56 0.061,57 0.843,58 10.979,59 4.83,60 14.622,61 6.323,62 0.251,63 1.317,64 20.115,65 8.138,66 39.167,67 11.142,68 0.51,69 1.632,70 30.367,71 10.489,72 80.428,73 14.406,74 0.579,75 1.62,76 33.348,77 10.163,78 115.805,79 13.628,80 0.79,81 1.539,82 31.889,83 10.225,84 172.239,85 14.071,86 0.474,87 1.58,88 31.439,89 10.406,90 84.388,91 14.782,92 0.571,93 1.486,94 33.473,95 9.981,96 118.629,97 14.098,98 0.597,99 1.273,100 26.379,101 8.455,102 133.384,103 11.47,104 38,105 46,106 0.256,107 0.595,108 0.734,109 0.828,110 0.873,111 0.89,112 3.502,113 0.909,114 -2.45,115 -2.48,116 -2.43,119 42.1,120 2,121 1,126 3,132 9,133 3,140 1,141 1,144 4,155 12,158 1,160 3,162 7,163 12,166 5,168 3,169 2,170 8,173 8,176 6,181 4,183 4,185 3,186 4,189 2,190 1,191 5,193 5,196 6,198 3,199 1,200 6,203 3,206 7,209 1,211 4,214 3,217 2,218 6,221 1,222 1,223 5,224 4,227 5,229 1,231 5,234 5,238 1878,239 21.353,240 21.353,241 21.353,242 21.353,243 21.353,244 18.962,245 15.842,246 12.663,247 21.524,248 16.672,249 16.672,250 16.672,251 16.672,252 16.672,253 12.909,254 13.454,255 5.915,256 16.908,257 4.254,258 2.163,259 1.305,260 0.721,261 0.448,262 0.342,263 4.179,266 1,267 1,268 945,269 5,271 87.718,272 239.663,274 162.323,277 2.195,278 41.24,280 1,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.9,288 69.5,289 446,290 4.528,291 4.139,292 6.535,293 4.063,294 3.076,295 4.474,296 2.439,297 10.31,298 3.034,299 4.17,300 3.8,301 6.11,302 3.888,303 2.898,304 3.676,305 1.983,306 8.829,307 2.865,308 4.016,309 3.653,310 5.977,311 3.766,312 2.771,313 3.199,314 1.922,315 8.389,316 2.747,317 3.831,318 3.507,319 5.743,320 3.551,321 2.555,322 2.985,323 1.058,324 7.623,325 2.537,326 3.645,327 3.148,328 5.371,329 3.291,330 2.306,331 2.804,332 0.338,333 6.798,334 2.266,335 3.373,336 2.557,337 4.952,338 2.854,339 1.871,340 2.522,341 0.134,342 5.494,343 1.836,344 3.262,345 2.203,346 4.385,347 2.789,348 1.78,349 2.448,351 4.32,352 1.787,353 3.046,354 2.072,355 4.166,356 2.518,357 1.546,358 2.318,360 3.729,361 1.501,362 2.774,363 2.01,364 3.974,365 2.338,366 1.354,367 1.698,369 3.299,370 1.321,371 2.662,372 1.93,373 3.589,374 2.149,375 1.159,376 1.673,378 2.751,379 1.146,380 2.575,381 1.546,382 3.547,383 2.051,384 1.044,385 1.5,387 2.509,388 1.042,389 2.5,390 1.323,391 3.277,392 2,393 1,394 1.365,396 2.136,397 1,398 2.395,399 1.207,400 3.247,401 1.801,402 0.77,403 0.999,405 1.788,406 0.783,407 2.169,408 1,409 3.137,410 1.614,411 0.658,412 0.954,414 1.468,415 0.628,416 2.042,417 0.729,418 2.729,419 1.266,420 0.318,421 0.547,423 0.472,424 0.3,425 15,426 0.469,427 0.788,428 0.025,429 41.5,430 1.297,431 21.5,432 0.672,433 20,434 0.625,435 26.755,436 0.836,437 34.2,438 0.6,439 34.774,440 1.087,441 8.379,442 0.262,443 7.005,444 0.219,445 0.16,447 0.333,450 0.725,451 1.23,452 0.795,453 1.022,454 0.536,455 0.925,456 0.565,457 1.245,458 0.852,459 1.127,460 0.525,461 1.052,462 0.985,463 1.003,464 1.011,465 1.029,466 0.95,467 1.023,468 1.643,469 1.013,470 1.209,471 0.969,472 1.559,473 1.002,474 1.113,475 1.038,476 1.019,477 0.979,478 1.106,479 0.991,480 0.92,481 1.031,482 0.993,483 1.043,484 0.967,485 1.028,486 1.336,487 0.899,488 0.977,489 0.839,490 1.457,491 0.84,492 1.27,493 1.009,494 1.083,495 0.99,496 1.304,497 1.009,498 6.5,499 0.218,500 4,501 2.229,502 1.528,503 1.07,504 0.629,505 0.596,506 0.387,507 0.244,508 15199,509 43239,510 1.993,511 43.9,513 12,514 1,516 4,518 8,520 1.742,521 1.846,522 3.76,523 1.57,525 1,527 89.975,528 1.579,529 3.67,530 4.528,531 5.111,532 5.385,533 5.491,534 3.23,535 4.563,536 4.974,537 3.937,538 1952.9,539 8.683,540 30102.7,542 1,544 332.475,545 1.477,546 4.918,547 0.191,548 0.008,549 0.087,550 0.047,551 0.036,552 0.025,553 0.016,554 0.016,555 0.011,556 0.008,557 0.444,558 0.17,559 1,560 0.765,561 171.535,562 -0.081,563 -0.031,564 0.011,565 0.03,566 -0.031,567 0.039,568 0.147,569 -0.133,570 0.017,571 -0.099,572 0.039,573 -0.074,574 0.021,575 0.03,576 -0.046,577 -0.058,578 -0.04,579 -0.065,580 -0.297,581 -0.016,582 -0.189,583 -0.03,584 -0.211,585 -0.076,586 0.162,587 -0.064,588 -0.002,589 -0.021,590 0.186,591 -0.042,592 0.023,593 -0.038,594 -0.002,595 -0.083,596 -0.016,597 -0.054,598 -0.117,599 0.038,600 0.075,601 0.1,602 -0.118,603 0.122,604 0.033,605 -0.031,606 -0.066,607 -0.034,608 0.075,609 -0.065,610 2.211,611 5.534,612 0.469,613 35.293,614 1.006,615 1.128,616 1.223,617 1.497,618 0.667,619 3.555,620 3.85,621 4.078,622 4.248,623 4.382,624 4.317,625 4.382,626 4.407,627 4.304,628 4.277,629 8.159,630 0.641,631 431.54,632 3.555,633 5.081,634 5.911,635 6.765,636 7.611,637 8.468,638 9.32,639 10.178,640 11.034,641 11.893,642 8.8,648 3,649 1,650 1,653 2,654 10,656 1,659 2,661 16,662 1,670 57,672 20,673 2,674 34,676 59,677 24,678 14,679 3,680 9,681 1,683 3,684 4,688 2,694 4,695 1,696 17,697 6,699 3,703 3,707 3,710 1,713 25,714 7,715 4,716 8,720 5,721 0.667,722 3,729 1,732 1,733 2,735 1,738 1,742 2,753 2,757 2,761 32,766 1,767 3,770 3,773 1,775 1,776 1,778 5.3,781 3,785 17.333,786 10.533,787 7.222,788 3.349,789 2.624,790 1.365,791 0.95,792 7.779,793 9.808,794 3.871,795 4.391,796 4.919,797 5.404,798 5.84,799 5.953,800 6.285,801 6.538,802 6.326,803 6.461,804 1,805 47,806 11.906,807 5.099,808 8.021,809 22.026,810 17.679,811 2.521,812 80.667,814 1,815 247.193,816 156.323,817 101.877,819 75.435,822 156.323,823 322.628,824 101.877,825 17.65,826 56.567,827 94.334,828 106.15,829 56.789,830 13.915,831 235.422,833 247.193,834 258.2,835 75.435,838 153.024,839 169.604,841 122.062,842 136.138,845 247.193,846 177.312,847 156.323,850 247.193,851 27.737,852 111.984,853 87.42,854 106.494,855 247.193,856 177.312,857 156.323,859 0.576,860 0.341,861 0.172,862 0.09,863 19,864 10,865 0.136,866 8,867 1,868 1.133,869 4.332,870 270.431,871 0.133,872 15,873 156,878 23.214,879 10.723,880 6.05,881 1.948,882 160.526,883 18.081,885 3.146,888 1.355,890 70.818,891 580.828,892 47,896 37.141,900 -1.359,902 57.327,903 64.272,904 0.271,905 0.629,906 0.776,907 0.876,908 0.923,909 0.941,910 5.1,911 1.546,912 5.889,913 4.32,914 4.533,915 5.078,916 3.342,917 6.663,918 4.506,919 6.297,920 1.354,921 7.435,922 3.729,923 4.111,924 4.808,925 2.179,926 7.506,927 4.095,928 7.588,929 1.159,930 9.082,931 3.299,932 6.098,933 7.212,934 4.73,935 10.572,936 6.044,937 8.912,938 1.044,939 10.785,940 2.751,941 6.494,942 7.82,943 3.785,944 12.231,945 6.449,946 10.267,947 1,948 12.525,949 2.509,950 7.946,951 9.691,952 6.32,953 14.802,954 7.869,955 11.646,956 0.77,957 14.288,958 2.136,959 8.708,960 10.737,961 5.254,962 16.805,963 8.633,964 13.043,965 0.658,966 16.069,967 1.788,968 9.944,969 12.388,970 7.997,971 19.201,972 9.845,973 3.076,974 0.318,975 17.862,976 1.468,977 10.877,978 13.66,979 6.673,980 21.362,981 10.775,982 2.898,983 10.31,984 19.665,985 0.472,986 12.024,987 15.216,988 9.716,989 23.696,990 11.902,991 2.771,992 8.829,993 21.475,994 4.474,995 13.039,996 16.601,997 8.073,998 25.935,999 12.908,1000 2.555,1001 8.389,1002 23.291,1003 3.676,1004 14.149,1005 18.118,1006 11.458,1007 28.249,1008 14.003,1009 2.306,1010 7.623,1011 25.113,1012 3.199,1013 15.204,1014 19.559,1015 9.475,1016 30.527,1017 15.046,1018 1.871,1019 6.798,1020 26.939,1021 2.985,1022 16.302,1023 21.061,1024 13.216,1025 32.839,1026 16.13,1027 1.78,1028 5.494,1029 28.769,1030 2.804,1031 17.378,1032 22.529,1033 10.895,1034 35.138,1035 17.192,1036 14715,1037 24942,1038 22.076,1039 38.006,1040 52.503,1041 55.099,1042 52.302,1043 50.145,1044 50.21,1045 66.324,1046 15.748,1047 139.827,1048 49.586,1049 5.495,1050 6.139,1051 6.337,1052 5.111,1053 5.076,1054 7.474,1055 4.876,1056 17.057,1057 5.034,1058 18.066,1059 1.544,1060 1.621,1061 1.538,1062 1.475,1063 1.477,1064 1.951,1065 0.463,1066 4.113,1067 1.458,1068 4.129,1069 4.164,1070 4.084,1071 4.047,1072 7.436,1073 4.052,1074 3.932,1075 3.962,1076 3.872,1077 3.853,1078 7.427,1079 3.851,1080 3.796,1081 3.843,1082 3.723,1083 3.602,1084 7.423,1085 3.624,1086 3.654,1087 3.708,1088 3.573,1089 3.486,1090 6.817,1091 3.496,1092 3.507,1093 3.566,1094 3.399,1095 3.35,1096 4.969,1097 3.353,1098 3.359,1099 3.426,1100 3.263,1101 3.195,1102 4.728,1103 3.204,1104 3.206,1105 3.23,1106 3.147,1107 2.995,1108 4.314,1109 3.022,1110 3,1111 3.067,1112 2.878,1113 2.831,1114 4.248,1115 2.831,1116 0.133,1117 0.122,1118 0.192,1119 0.119,1120 0.09,1121 4.528,1122 0.132,1123 4.139,1124 0.072,1125 6.535,1126 0.303,1127 4.063,1128 0.089,1129 3.076,1130 4.474,1131 2.439,1132 10.31,1133 3.034,1134 1.942,1135 1.918,1136 2.039,1137 2.022,1138 1.229,1139 2.028,1140 1.905,1141 1.879,1142 2.021,1143 2.009,1144 1.095,1145 2.011,1146 1.732,1147 1.682,1148 1.9,1149 1.942,1150 1.055,1151 1.931,1152 1.651,1153 1.599,1154 1.834,1155 1.847,1156 1.009,1157 1.845,1158 1.517,1159 1.46,1160 1.763,1161 1.732,1162 0.939,1163 1.741,1164 1.338,1165 1.271,1166 1.517,1167 1.574,1168 0.556,1169 1.566,1170 1.108,1171 1.079,1172 1.305,1173 1.365,1174 0.313,1175 1.342,1176 1.03,1177 0.972,1178 1.249,1179 1.247,1180 0.302,1181 1.259,1182 4.234,1183 5.533,1184 2.398,1185 7.015,1186 4.727,1187 8.573,1188 6.823,1189 10.17,1191 3.064,1197 0.33,1198 7.838,1201 -2.468,1204 9.495,1205 2.096,1206 36.519,1207 89.975,1208 209.163,1209 258.071,1210 291.355,1211 306.965,1212 312.965,1213 92.479,1214 7.184,1215 126.88,1216 126.88,1217 17,1218 12.445,1219 4.392,1220 3.807,1221 61.465,1222 158,1223 148,1224 0.184,1225 229.638,1226 403.67,1227 552.076,1228 13780,1230 23.087,1231 0.721,1232 0.559,1233 23.087,1234 17.885,1235 15.384,1236 0.452,1237 0.303,1238 10.179,1239 14.88,1240 9.909,1241 8.258,1242 15.384,1243 10.3,1244 13.547,1245 0.295,1246 0.164,1247 13.547,1248 7.545,1249 11.285,1250 0.195,1251 0.088,1252 11.285,1253 5.1,1254 8.531,1255 0.124,1256 0.048,1257 8.531,1258 3.285,1259 6.557,1260 0.083,1261 0.027,1262 6.557,1263 2.136,1264 0.298,1265 96.07,1266 0.213,1267 30.561,1268 0.479,1269 160,1270 496.183,1271 175.219,1272 484.278,1273 640.9,1274 448,1275 184,1276 451.205,1277 198.833,1278 457.735,1279 659.04,1280 431,1281 7.4}
{0 CHEMBL172938,1 1.52,2 13.935,3 2.915,4 8.498,5 119.151,6 7.128,7 0.485,8 4.147,9 4.279,10 3.657,11 3.675,12 5.261,13 3.646,14 4.674,15 4.853,16 4.007,17 4.054,18 5.77,19 3.998,20 4.971,21 5.192,22 4.064,23 4.172,24 6.087,25 4.095,26 5.04,27 5.271,28 4,29 4.138,30 6.179,31 4.061,32 4.988,33 5.207,34 3.976,35 4.099,36 6.265,37 4.01,38 5.014,39 5.27,40 3.869,41 4.113,42 6.033,43 3.989,44 5.037,45 5.315,46 3.852,47 4.039,48 6.098,49 3.925,50 4.824,51 5.052,52 3.774,53 3.92,54 6.06,55 3.829,56 0.038,57 0.858,58 12.536,59 5.232,60 10.626,61 7.164,62 0.229,63 1.349,64 22.714,65 8.71,66 35.457,67 12.388,68 0.456,69 1.654,70 32.83,71 10.908,72 69.428,73 15.606,74 0.491,75 1.648,76 36.397,77 11.127,78 93.716,79 15.756,80 0.739,81 1.566,82 34.481,83 10.981,84 149.502,85 15.455,86 0.415,87 1.636,88 35.2,89 11.486,90 69.271,91 16.916,92 0.49,93 1.539,94 37.557,95 11.748,96 91.546,97 17.188,98 0.551,99 1.304,100 29.465,101 9.419,102 110.469,103 13.168,104 37,105 45,106 0.246,107 0.565,108 0.713,109 0.827,110 0.87,111 0.887,112 3.471,113 0.942,114 -3.27,115 -3.26,116 -3.13,119 40.7,120 3,121 1,126 3,132 9,133 3,140 1,141 1,144 3,155 12,158 1,160 3,162 8,163 13,166 4,168 2,169 2,170 8,173 9,176 6,181 4,183 5,185 2,186 3,189 2,190 1,191 7,193 7,196 4,198 1,199 1,200 6,203 5,206 6,209 1,211 4,214 4,217 1,218 5,221 1,222 1,223 6,224 5,227 4,231 5,234 5,238 1739,239 20.482,240 20.482,241 20.482,242 20.482,243 20.482,244 18.222,245 17.29,246 12.157,247 20.652,248 16.244,249 16.244,250 16.244,251 16.244,252 16.244,253 12.762,254 17.909,255 5.761,256 16.46,257 4.363,258 2.395,259 1.482,260 0.778,261 0.513,262 0.411,263 4.148,266 1,267 1,268 918,269 4.899,271 84.74,272 230.857,274 156.788,277 2.264,278 35.304,280 1,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.9,288 67,289 432,290 4.527,291 3.806,292 6.534,293 4.06,294 3.074,295 4.474,296 1.985,297 10.302,298 3.032,299 4.17,300 3.662,301 6.11,302 3.888,303 2.897,304 3.676,305 1.925,306 8.826,307 2.864,308 4,309 3.508,310 5.971,311 3.761,312 2.764,313 3.19,314 1.058,315 8.35,316 2.743,317 3.777,318 3.153,319 5.732,320 3.538,321 2.538,322 2.957,323 0.343,324 7.531,325 2.528,326 3.475,327 2.469,328 5.269,329 3.234,330 2.25,331 2.784,332 0.14,333 6.514,334 2.21,335 3.264,336 2.203,337 4.813,338 2.825,339 1.84,340 2.515,342 5.216,343 1.811,344 3.06,345 2.07,346 4.379,347 2.772,348 1.767,349 2.319,351 4.297,352 1.764,353 3.043,354 1.959,355 4.16,356 2.518,357 1.546,358 2.117,360 3.723,361 1.501,362 2.664,363 1.905,364 3.94,365 2.327,366 1.339,367 1.69,369 3.253,370 1.312,371 2.61,372 1.546,373 3.589,374 2.142,375 1.152,376 1.639,378 2.744,379 1.139,380 2.5,381 1.323,382 3.526,383 2.031,384 1.021,385 1.5,387 2.47,388 1.022,389 2.424,390 1.2,391 3.272,392 2,393 1,394 1.316,396 2.136,397 1,398 2.172,399 1,400 3.247,401 1.793,402 0.76,403 0.961,405 1.775,406 0.774,407 2.06,408 0.728,409 3.102,410 1.576,411 0.611,412 0.857,414 1.407,415 0.588,416 1.047,417 0.518,418 2.688,419 0.757,420 -0.236,421 -0.284,423 -0.631,424 -0.233,425 14.6,426 0.471,427 0.826,428 0.027,429 37.75,430 1.218,431 18.5,432 0.597,433 19.25,434 0.621,435 27.983,436 0.903,437 34,438 0.576,439 30.688,440 0.99,441 7.602,442 0.245,443 7.245,444 0.234,445 0.171,447 0.342,450 0.731,451 1.276,452 0.851,453 1.071,454 0.575,455 0.981,456 0.564,457 1.26,458 0.857,459 1.116,460 0.537,461 1.042,462 1.034,463 1.023,464 1.035,465 1.02,466 0.982,467 1.019,468 1.565,469 1.009,470 1.145,471 0.963,472 1.545,473 0.981,474 1.262,475 1.063,476 1.134,477 1.035,478 1.358,479 1.068,480 0.941,481 1.024,482 1.063,483 1.058,484 0.839,485 1.067,486 1.134,487 0.856,488 0.866,489 0.831,490 1.191,491 0.812,492 1.373,493 0.993,494 1.114,495 0.987,496 1.483,497 1.016,498 6.5,499 0.202,500 4,501 2.229,502 1.448,503 1.014,504 0.573,505 0.549,506 0.342,507 0.244,508 14316,509 37254,510 1.993,511 47.5,513 12,514 1,516 4,518 11,520 1.732,521 1.842,522 3.752,523 1.568,525 1,527 89.676,528 1.52,529 3.487,530 4.401,531 5.105,532 5.37,533 5.471,534 3.216,535 4.696,536 4.928,537 3.941,538 1832.47,539 8.582,540 27814.3,542 1,544 347.076,545 1.492,546 4.869,547 0.197,548 0.007,549 0.089,550 0.05,551 0.035,552 0.026,553 0.016,554 0.016,555 0.011,556 0.009,557 0.456,558 0.17,559 1,560 0.618,561 165.074,562 -0.069,563 -0.035,564 0.018,565 0.024,566 -0.061,567 0.036,568 0.167,569 -0.119,570 0.053,571 -0.069,572 0.066,573 -0.037,574 0.004,575 0.036,576 -0.056,577 -0.05,578 -0.027,579 -0.06,580 -0.229,581 -0.018,582 -0.118,583 -0.021,584 -0.159,585 -0.044,586 0.091,587 -0.078,588 -0.112,589 -0.075,590 0.099,591 -0.123,592 -0.027,593 -0.033,594 -0.078,595 -0.103,596 -0.016,597 -0.096,598 -0.015,599 0.036,600 0.164,601 0.111,602 -0.017,603 0.159,604 -0.017,605 -0.032,606 -0.087,607 -0.028,608 -0.001,609 -0.067,610 2.105,611 5.526,612 0.484,613 34.235,614 1,615 1.129,616 2.044,617 4.179,618 0.653,619 3.526,620 3.829,621 4.043,622 4.22,623 4.331,624 4.248,625 4.317,626 4.317,627 4.22,628 4.205,629 8.167,630 0.62,631 420.56,632 3.526,633 5.056,634 5.883,635 6.739,636 7.582,637 8.439,638 9.289,639 10.146,640 10.999,641 11.858,642 6.8,648 3,649 1,653 2,654 10,656 1,659 2,661 16,662 1,670 59,672 19,673 2,674 33,676 61,677 24,678 14,679 3,680 9,681 1,683 3,684 4,688 3,694 4,696 17,697 7,699 3,703 3,707 3,710 1,713 28,714 6,715 4,716 7,720 4,721 0.667,722 3,729 1,732 1,733 2,735 1,742 2,753 2,757 3,761 31,766 1,767 3,770 3,778 5.1,781 3,785 16.833,786 11.083,787 6.889,788 3.549,789 2.615,790 1.366,791 0.952,792 7.613,793 9.755,794 3.807,795 4.353,796 4.874,797 5.376,798 5.786,799 5.882,800 6.201,801 6.407,802 6.135,803 6.215,804 1,805 45,806 11.545,807 4.902,808 7.892,809 21.693,810 17.485,811 2.392,812 74.167,814 1,815 282.506,816 148.546,817 70.818,819 75.435,822 148.546,823 357.941,824 70.818,825 26.476,826 56.567,827 94.334,828 89.549,829 25.73,830 13.915,831 270.735,833 282.506,834 219.364,835 75.435,838 153.024,839 204.917,841 99.828,842 119.536,845 282.506,846 146.253,847 148.546,850 282.506,851 27.737,852 120.809,853 70.818,854 75.435,855 282.506,856 146.253,857 148.546,859 0.581,860 0.337,861 0.171,862 0.087,863 19,864 10,865 0.131,866 8,867 1,868 1.133,869 4.28,870 257.492,871 0.133,872 15,873 149.58,878 22.731,879 10.383,880 6.032,881 2.191,882 129.467,883 18.631,885 3.231,888 1.594,890 70.818,891 577.305,892 44,896 37.126,900 -1.036,902 58.992,903 66.604,904 0.258,905 0.593,906 0.748,907 0.868,908 0.913,909 0.93,910 5.03,911 1.546,912 5.866,913 4.297,914 4.511,915 5.04,916 2.799,917 6.64,918 4.486,919 6.223,920 1.339,921 7.413,922 3.723,923 4.111,924 4.808,925 2.179,926 7.476,927 4.095,928 7.513,929 1.152,930 9.059,931 3.253,932 6.075,933 7.181,934 3.756,935 10.545,936 6.024,937 8.837,938 1.021,939 10.762,940 2.744,941 6.479,942 7.808,943 3.785,944 12.201,945 6.436,946 10.195,947 1,948 12.501,949 2.47,950 7.923,951 9.672,952 4.918,953 14.777,954 7.85,955 11.576,956 0.76,957 14.264,958 2.136,959 8.689,960 10.728,961 5.249,962 16.78,963 8.618,964 12.977,965 0.611,966 16.045,967 1.775,968 9.923,969 12.378,970 6.171,971 19.179,972 9.828,973 3.074,974 -0.236,975 17.839,976 1.407,977 10.858,978 13.654,979 6.657,980 21.342,981 10.76,982 2.897,983 10.302,984 19.642,985 -0.631,986 12.004,987 15.211,988 7.468,989 23.678,990 11.887,991 2.764,992 8.826,993 21.454,994 4.474,995 13.02,996 16.598,997 8.038,998 25.917,999 12.894,1000 2.538,1001 8.35,1002 23.271,1003 3.676,1004 14.13,1005 18.115,1006 8.789,1007 28.233,1008 13.989,1009 2.25,1010 7.531,1011 25.094,1012 3.19,1013 15.185,1014 19.557,1015 9.404,1016 30.511,1017 15.033,1018 1.84,1019 6.514,1020 26.921,1021 2.957,1022 16.284,1023 21.059,1024 10.121,1025 32.824,1026 16.116,1027 1.767,1028 5.216,1029 28.753,1030 2.784,1031 17.359,1032 22.528,1033 10.762,1034 35.123,1035 17.178,1036 13814,1037 22409,1038 21.383,1039 38.523,1040 50.16,1041 51.533,1042 50.921,1043 49.096,1044 49.12,1045 63.991,1046 10.902,1047 137.087,1048 48.574,1049 5.493,1050 5.806,1051 6.335,1052 5.108,1053 5.074,1054 7.474,1055 3.48,1056 17.044,1057 5.032,1058 17.624,1059 1.52,1060 1.562,1061 1.543,1062 1.488,1063 1.488,1064 1.939,1065 0.33,1066 4.154,1067 1.472,1068 4.129,1069 4.165,1070 4.083,1071 4.047,1072 7.436,1073 4.052,1074 3.932,1075 3.962,1076 3.872,1077 3.853,1078 7.427,1079 3.851,1080 3.796,1081 3.845,1082 3.717,1083 3.603,1084 7.423,1085 3.622,1086 3.654,1087 3.712,1088 3.55,1089 3.485,1090 4.971,1091 3.489,1092 3.506,1093 3.569,1094 3.38,1095 3.35,1096 4.728,1097 3.351,1098 3.358,1099 3.429,1100 3.232,1101 3.193,1102 4.334,1103 3.189,1104 3.206,1105 3.23,1106 3.133,1107 2.995,1108 4.264,1109 3.021,1110 3,1111 3.067,1112 2.858,1113 2.83,1114 4.173,1115 2.824,1116 0.137,1117 0.115,1118 0.198,1119 0.123,1120 0.093,1121 4.527,1122 0.136,1123 3.806,1124 0.06,1125 6.534,1126 0.312,1127 4.06,1128 0.092,1129 3.074,1130 4.474,1131 1.985,1132 10.302,1133 3.032,1134 1.943,1135 1.919,1136 2.045,1137 2.024,1138 1.266,1139 2.031,1140 1.905,1141 1.879,1142 2.021,1143 2.009,1144 1.097,1145 2.011,1146 1.741,1147 1.688,1148 1.928,1149 1.949,1150 1.079,1151 1.943,1152 1.656,1153 1.603,1154 1.861,1155 1.858,1156 1.03,1157 1.862,1158 1.517,1159 1.46,1160 1.767,1161 1.732,1162 0.941,1163 1.742,1164 1.37,1165 1.293,1166 1.608,1167 1.604,1168 0.694,1169 1.615,1170 1.108,1171 1.08,1172 1.322,1173 1.365,1174 0.394,1175 1.342,1176 1.044,1177 0.98,1178 1.305,1179 1.249,1180 0.311,1181 1.283,1182 4.205,1183 5.509,1184 2.398,1185 6.991,1186 4.727,1187 8.548,1188 6.823,1189 10.146,1191 5.134,1197 0.667,1198 8.238,1201 -1.609,1206 36.552,1207 89.676,1208 205.76,1209 259.653,1210 301.202,1211 316.811,1212 322.811,1213 81.443,1214 7.14,1215 103.09,1216 103.09,1217 17,1218 12.411,1219 4.322,1220 3.585,1221 58.58,1222 153,1223 139,1224 0.18,1225 228.698,1226 397.95,1227 549.784,1228 13287,1230 22.38,1231 0.722,1232 0.579,1233 22.38,1234 17.937,1235 14.846,1236 0.45,1237 0.314,1238 10.251,1239 14.381,1240 9.924,1241 8.311,1242 14.846,1243 10.365,1244 13.378,1245 0.297,1246 0.173,1247 13.378,1248 7.765,1249 10.845,1250 0.194,1251 0.091,1252 10.845,1253 5.119,1254 8.396,1255 0.125,1256 0.051,1257 8.396,1258 3.388,1259 6.233,1260 0.083,1261 0.029,1262 6.233,1263 2.202,1264 0.294,1265 92.488,1266 0.216,1267 29.889,1268 0.466,1269 156,1270 452.538,1271 170.525,1272 439.44,1273 588.08,1274 408,1275 179,1276 420.796,1277 192.973,1278 426.503,1279 616.51,1280 402,1281 7.4}
{0 CHEMBL173174,1 1.514,2 14.308,3 4.216,4 17.775,5 150.5,6 7.05,7 0.5,8 4.389,9 4.525,10 3.897,11 3.904,12 5.476,13 3.876,14 4.931,15 5.122,16 4.252,17 4.297,18 5.973,19 4.242,20 5.206,21 5.427,22 4.312,23 4.426,24 6.284,25 4.342,26 5.325,27 5.568,28 4.296,29 4.419,30 6.396,31 4.337,32 5.29,33 5.532,34 4.326,35 4.411,36 6.455,37 4.335,38 5.309,39 5.544,40 4.381,41 4.451,42 6.441,43 4.375,44 5.383,45 5.617,46 4.369,47 4.459,48 6.536,49 4.389,50 5.339,51 5.568,52 4.306,53 4.492,54 6.457,55 4.396,56 0.047,57 1.12,58 16.282,59 6.538,60 11.333,61 9.199,62 0.329,63 1.77,64 29.987,65 10.883,66 36.501,67 15.846,68 0.528,69 2.123,70 41.306,71 14.213,72 74.393,73 20.584,74 0.689,75 2.22,76 48.653,77 14.538,78 106.734,79 21.358,80 0.851,81 2.183,82 46.781,83 14.03,84 141.51,85 20.889,86 0.604,87 2.241,88 46.848,89 15.207,90 90.117,91 22.122,92 0.851,93 2.284,94 52.058,95 15.411,96 140.022,97 22.031,98 0.742,99 2.314,100 48.397,101 15.32,102 121.381,103 22.257,104 55,105 58,106 0.232,107 0.575,108 0.765,109 0.852,110 0.872,111 0.872,112 3.693,113 0.946,114 -3.53,115 -3.51,116 -3.35,119 40,120 3,121 2,122 1,124 1,125 1,126 2,132 9,133 3,136 1,140 2,141 1,144 3,147 1,155 15,157 1,158 2,160 3,162 6,163 15,165 1,166 6,168 4,169 1,170 7,173 8,176 9,179 1,180 1,181 4,183 3,185 3,186 7,189 1,190 1,191 5,193 3,195 1,196 9,198 5,200 7,203 3,206 9,209 2,210 1,211 6,214 6,217 2,218 9,222 1,223 6,224 8,226 2,227 7,231 7,234 10,238 3468,239 25.913,240 25.913,241 25.913,242 25.913,243 25.913,244 23.147,245 16.746,246 15.317,247 26.231,248 20.683,249 20.683,250 20.683,251 20.683,252 20.683,253 16.389,254 15.311,255 7.276,256 21.144,257 4.715,258 2.484,259 1.246,260 0.675,261 0.547,262 0.547,263 4.38,267 1,268 1190,269 5.385,271 241.708,272 287.101,274 199.679,277 2.146,278 43.748,280 0.75,281 0.5,282 0.67,283 0.7,284 0.5,285 0.67,286 0.5,287 0.61,288 84,289 558,290 4.53,291 3.868,292 6.551,293 4.087,294 3.101,295 4.474,296 2.003,297 10.36,298 3.056,299 4.351,300 3.707,301 6.337,302 3.961,303 2.992,304 4.007,305 1.938,306 9.484,307 2.897,308 4.118,309 3.518,310 6.259,311 3.891,312 2.915,313 3.437,314 1.058,315 9.414,316 2.837,317 3.987,318 3.135,319 5.989,320 3.705,321 2.721,322 3.292,323 0.603,324 8.434,325 2.672,326 3.802,327 2.854,328 5.778,329 3.503,330 2.505,331 3.013,332 0.255,333 7.67,334 2.495,335 3.423,336 2.434,337 5.237,338 3.239,339 2.25,340 2.751,341 0.033,342 6.325,343 2.228,344 3.346,345 2.262,346 4.938,347 3.042,348 2.061,349 2.654,351 5.465,352 2.019,353 3.226,354 2.134,355 4.619,356 2.858,357 1.882,358 2.318,360 4.96,361 1.827,362 3.046,363 2.017,364 4.56,365 2.723,366 1.758,367 2.239,369 4.692,370 1.688,371 2.915,372 1.989,373 4.175,374 2.518,375 1.546,376 2.002,378 3.738,379 1.501,380 2.835,381 1.824,382 4.107,383 2.405,384 1.414,385 1.887,387 3.503,388 1.393,389 2.619,390 1.586,391 3.688,392 2.159,393 1.167,394 1.665,396 2.771,397 1.156,398 2.5,399 1.546,400 3.594,401 2.104,402 1.112,403 1.5,405 2.704,406 1.092,407 2.458,408 1.199,409 3.465,410 2,411 1,412 1.403,414 2.136,415 1,416 2.279,417 1.019,418 3.362,419 1.835,420 0.837,421 1.117,423 2.126,424 0.827,425 18.4,426 0.472,427 1.035,428 0.027,429 47.5,430 1.218,431 22.5,432 0.577,433 25,434 0.641,435 39.851,436 1.022,437 42.8,438 0.571,439 42.349,440 1.086,441 9.338,442 0.239,443 9.385,444 0.241,445 0.163,447 0.348,450 0.758,451 1.394,452 0.854,453 1.128,454 0.577,455 1.014,456 0.65,457 1.18,458 0.862,459 1.04,460 0.546,461 0.983,462 0.895,463 1.115,464 0.998,465 1.112,466 0.921,467 1.077,468 1.485,469 1.013,470 1.063,471 0.924,472 1.557,473 0.933,474 1.172,475 0.965,476 0.984,477 0.891,478 1.115,479 0.9,480 1.053,481 1.059,482 0.938,483 1.052,484 1.099,485 0.988,486 1.742,487 0.963,488 1.087,489 0.89,490 1.964,491 0.904,492 1.319,493 1.019,494 1.183,495 1.042,496 1.278,497 1.08,498 8,499 0.348,500 5.111,501 2.479,502 1.868,503 1.511,504 1.071,505 0.817,506 0.645,507 0.47,508 24748,509 59859,510 2.022,511 48,512 7,513 16,514 2,516 4,518 7,520 1.797,521 1.872,522 3.767,523 1.427,527 113.573,528 1.514,529 3.744,530 4.983,531 5.554,532 5.682,533 5.682,534 3.219,535 5.029,536 5.255,537 3.988,538 2955.11,539 9.29,540 51614.3,544 467.161,545 1.479,546 5.204,547 0.19,548 0.007,549 0.088,550 0.043,551 0.033,552 0.026,553 0.018,554 0.014,555 0.012,556 0.009,557 0.439,558 0.17,559 0.75,560 1.258,561 219.623,562 -0.054,563 -0.136,564 0.035,565 -0.022,566 -0.049,567 0.014,568 0.141,569 -0.027,570 0.071,572 0.063,573 0.02,574 0.101,575 -0.059,576 -0.025,577 -0.11,578 0.032,579 -0.093,580 -0.142,581 -0.025,582 -0.031,583 0.02,584 -0.14,585 0.011,586 0.091,587 0.046,588 0.039,589 0.054,590 0.15,591 0.046,592 0.104,593 -0.047,594 0.066,595 -0.079,596 0.082,597 -0.021,598 -0.16,599 0.002,600 -0.032,601 0.053,602 -0.158,603 0.029,604 -0.097,605 0.01,606 -0.178,607 -0.073,608 -0.03,609 -0.124,610 2.214,611 6.457,612 0.513,613 48.584,614 0.998,615 1.131,616 2.301,617 5.294,618 0.651,619 3.761,620 4.078,621 4.317,622 4.522,623 4.682,624 4.745,625 4.836,626 4.92,627 4.934,628 4.934,629 8.607,630 0.616,631 528.72,632 3.761,633 5.303,634 6.142,635 7.008,636 7.866,637 8.736,638 9.602,639 10.475,640 11.345,641 12.22,642 8,648 3,649 2,651 1,653 2,654 11,655 1,656 2,659 4,661 21,662 1,670 75,672 24,673 2,674 42,676 78,677 30,678 17,679 3,680 9,681 1,683 4,684 5,688 3,694 4,696 20,697 10,698 1,699 3,703 3,707 3,713 36,714 7,715 4,716 9,719 1,720 6,721 0.75,722 3,729 1,732 2,733 2,735 1,742 1,743 1,753 3,757 4,761 39,766 3,767 2,770 3,771 1,778 4,781 3,785 20.833,786 14.317,787 8.611,788 4.561,789 3.433,790 1.438,791 0.963,792 9.469,793 11.264,794 4.034,795 4.595,796 5.146,797 5.671,798 6.088,799 6.346,800 6.682,801 7.002,802 7.025,803 7.176,804 1,805 58,806 14.563,807 6.22,808 7.795,809 27.574,810 22.426,811 2.295,812 89.5,815 376.675,816 175.715,817 89.502,819 75.435,822 175.715,823 452.11,824 89.502,825 34.872,826 46.321,827 103.381,828 108.662,829 45.272,830 25.686,831 353.133,833 376.675,834 265.217,835 75.435,838 294.278,839 157.832,841 111.452,842 136.98,843 16.786,845 376.675,846 164.937,847 175.715,850 376.675,851 37.462,852 141.377,853 69.593,854 92.22,855 376.675,856 164.937,857 175.715,859 0.582,860 0.334,861 0.169,862 0.091,863 25,864 13,865 0.141,866 11,867 1,868 1.1,869 4.83,870 371.863,871 0.1,872 20,873 198.131,878 28.437,879 12.987,880 7.299,881 1.969,882 131.366,883 20.684,884 4.355,885 6.23,888 2.519,890 69.593,891 717.327,892 55.5,896 39.487,900 -1.102,902 74.847,903 84.846,904 0.243,905 0.601,906 0.8,907 0.892,908 0.912,909 0.912,910 5.269,911 1.882,912 6.129,913 5.465,914 4.762,915 5.283,916 2.837,917 6.921,918 4.719,919 6.464,920 1.758,921 7.685,922 4.96,923 4.369,924 5.047,925 2.221,926 7.794,927 4.321,928 7.758,929 1.546,930 9.34,931 4.692,932 6.344,933 7.432,934 3.784,935 10.873,936 6.256,937 9.088,938 1.414,939 11.054,940 3.738,941 6.77,942 8.071,943 3.832,944 12.565,945 6.674,946 10.452,947 1.167,948 12.804,949 3.503,950 8.213,951 9.921,952 4.958,953 15.15,954 8.083,955 11.84,956 1.112,957 14.578,958 2.771,959 8.999,960 10.979,961 5.31,962 17.174,963 8.855,964 13.247,965 1,966 16.371,967 2.704,968 10.235,969 12.611,970 6.229,971 19.581,972 10.063,973 3.101,974 0.837,975 18.175,976 2.136,977 11.188,978 13.881,979 6.732,980 21.751,981 10.998,982 2.992,983 10.36,984 19.99,985 2.126,986 12.339,987 15.42,988 7.543,989 24.09,990 12.125,991 2.915,992 9.484,993 21.811,994 4.474,995 13.37,996 16.796,997 8.127,998 26.328,999 13.135,1000 2.721,1001 9.414,1002 23.638,1003 4.007,1004 14.489,1005 18.297,1006 8.88,1007 28.642,1008 14.231,1009 2.505,1010 8.434,1011 25.47,1012 3.437,1013 15.557,1014 19.727,1015 9.508,1016 30.914,1017 15.278,1018 2.25,1019 7.67,1020 27.306,1021 3.292,1022 16.663,1023 21.214,1024 10.23,1025 33.221,1026 16.364,1027 2.061,1028 6.325,1029 29.144,1030 3.013,1031 17.749,1032 22.671,1033 10.882,1034 35.511,1035 17.43,1036 23707,1037 37136,1038 27.452,1039 48.819,1040 64.03,1041 65.53,1042 65.086,1043 62.85,1044 62.879,1045 81.422,1046 11.781,1047 177.928,1048 61.572,1049 5.496,1050 5.868,1051 6.353,1052 5.148,1053 5.101,1054 7.474,1055 3.499,1056 17.267,1057 5.056,1058 22.36,1059 1.525,1060 1.56,1061 1.55,1062 1.496,1063 1.497,1064 1.939,1065 0.281,1066 4.236,1067 1.466,1068 4.134,1069 4.169,1070 4.088,1071 4.049,1072 7.436,1073 4.054,1074 4.015,1075 4.059,1076 3.974,1077 3.899,1078 7.426,1079 3.908,1080 3.832,1081 3.886,1082 3.751,1083 3.664,1084 7.422,1085 3.674,1086 3.772,1087 3.818,1088 3.693,1089 3.623,1090 4.987,1091 3.634,1092 3.695,1093 3.75,1094 3.579,1095 3.534,1096 4.959,1097 3.539,1098 3.58,1099 3.64,1100 3.463,1101 3.403,1102 4.656,1103 3.41,1104 3.43,1105 3.498,1106 3.309,1107 3.27,1108 4.322,1109 3.275,1110 3.292,1111 3.375,1112 3.169,1113 3.069,1114 4.294,1115 3.071,1116 0.108,1117 0.092,1118 0.156,1119 0.097,1120 0.074,1121 4.53,1122 0.107,1123 3.868,1124 0.048,1125 6.551,1126 0.247,1127 4.087,1128 0.073,1129 3.101,1130 4.474,1131 2.003,1132 10.36,1133 3.056,1134 1.943,1135 1.919,1136 2.042,1137 2.028,1138 1.318,1139 2.033,1140 1.904,1141 1.876,1142 2.02,1143 1.993,1144 1.24,1145 2.003,1146 1.787,1147 1.73,1148 2.017,1149 1.98,1150 1.088,1151 1.985,1152 1.715,1153 1.661,1154 1.891,1155 1.916,1156 1.064,1157 1.917,1158 1.625,1159 1.578,1160 1.812,1161 1.829,1162 0.993,1163 1.825,1164 1.467,1165 1.415,1166 1.71,1167 1.7,1168 0.867,1169 1.706,1170 1.443,1171 1.38,1172 1.603,1173 1.673,1174 0.624,1175 1.658,1176 1.291,1177 1.23,1178 1.495,1179 1.554,1180 0.606,1181 1.531,1182 4.443,1183 5.759,1184 3.045,1185 7.248,1186 5.352,1187 8.812,1188 7.413,1189 10.419,1191 7.561,1197 1.768,1198 5.587,1201 -1.224,1202 1.665,1206 46.175,1207 113.573,1208 280.83,1209 373.738,1210 416.532,1211 426.142,1212 426.142,1213 103.981,1214 7.832,1215 122.98,1216 122.98,1217 22,1218 12.761,1219 4.644,1220 3.858,1221 70.173,1222 196,1223 222,1224 0.164,1225 286.593,1226 495.21,1227 691.047,1228 29955,1230 27.941,1231 0.716,1232 0.585,1233 27.941,1234 22.823,1235 18.723,1236 0.446,1237 0.315,1238 13.084,1239 18.103,1240 12.653,1241 10.621,1242 18.723,1243 13.246,1244 16.984,1245 0.293,1246 0.177,1247 16.984,1248 10.263,1249 13.952,1250 0.189,1251 0.091,1252 13.952,1253 6.73,1254 10.713,1255 0.118,1256 0.048,1257 10.713,1258 4.363,1259 8.314,1260 0.078,1261 0.027,1262 8.314,1263 2.94,1264 0.261,1265 116.864,1266 0.191,1267 35.44,1268 0.441,1269 200,1270 559.828,1271 218.383,1272 545.373,1273 739.3,1274 508,1275 232,1276 539.078,1277 251.578,1278 547.907,1279 797,1280 515,1281 7.9}
{0 CHEMBL174356,1 1.528,2 15.667,3 3.337,4 11.134,5 170.856,6 6.931,7 0.333,8 4.553,9 4.689,10 4.036,11 4.051,12 5.622,13 4.02,14 5.123,15 5.315,16 4.384,17 4.459,18 6.153,19 4.394,20 5.448,21 5.674,22 4.477,23 4.616,24 6.517,25 4.524,26 5.54,27 5.78,28 4.448,29 4.59,30 6.633,31 4.508,32 5.489,33 5.721,34 4.544,35 4.57,36 6.774,37 4.502,38 5.545,39 5.79,40 4.586,41 4.624,42 6.685,43 4.559,44 5.563,45 5.776,46 4.612,47 4.67,48 6.77,49 4.619,50 5.604,51 5.825,52 4.629,53 4.731,54 6.846,55 4.652,56 0.049,57 1.304,58 19.787,59 7.975,60 14.126,61 11.255,62 0.435,63 2.074,64 37.137,65 13.435,66 54.563,67 19.685,68 0.775,69 2.549,70 53.916,71 18.061,72 115.02,73 26.192,74 0.894,75 2.589,76 61.184,77 17.527,78 161.05,79 25.986,80 1.224,81 2.543,82 57.749,83 16.743,84 234.835,85 25.273,86 0.99,87 2.68,88 61.159,89 17.923,90 145.652,91 26.731,92 0.941,93 2.728,94 61.992,95 17.952,96 174.319,97 25.914,98 1.203,99 2.896,100 64.08,101 19.722,102 232.106,103 28.913,104 67,105 65,106 0.228,107 0.516,108 0.714,109 0.817,110 0.864,111 0.867,112 3.832,113 0.975,114 -2.29,115 -2.32,116 -2.29,119 38.2,120 1,121 7,122 1,124 2,125 1,126 3,132 9,133 3,140 1,141 1,144 5,155 19,157 1,158 1,160 4,162 7,163 20,166 6,168 5,169 3,170 9,173 13,176 8,181 7,183 4,185 5,186 9,189 3,190 1,191 9,193 3,196 13,198 5,199 3,200 9,203 3,206 14,209 1,211 8,214 6,217 4,218 10,221 2,222 1,223 10,224 10,227 10,229 5,230 1,231 8,234 13,238 5579,239 29.896,240 29.896,241 29.896,242 29.896,243 29.896,244 27.338,245 26.128,246 17.858,247 30.161,248 23.646,249 23.646,250 23.646,251 23.646,252 23.646,253 19.551,254 23,255 8.49,256 23.967,257 4.947,258 3.009,259 1.68,260 0.99,261 0.677,262 0.655,263 4.519,268 1491,269 6.042,271 129.257,272 552.363,274 239.16,277 2.207,278 63.758,280 0.5,281 0.5,282 0.5,283 0.8,284 1,285 0.33,287 0.52,288 98,289 705,290 4.53,291 3.873,292 6.543,293 4.08,294 3.094,295 4.474,296 2.01,297 10.339,298 3.051,299 4.147,300 3.784,301 6.332,302 3.947,303 2.965,304 3.482,305 1.989,306 9.469,307 2.904,308 4.014,309 3.717,310 6.086,311 3.816,312 2.827,313 3.268,314 1.954,315 8.748,316 2.805,317 3.951,318 3.64,319 6.019,320 3.785,321 2.782,322 3.163,323 1.915,324 8.544,325 2.765,326 3.849,327 3.509,328 5.82,329 3.587,330 2.592,331 3.109,332 1.886,333 7.835,334 2.569,335 3.796,336 3.13,337 5.376,338 3.46,339 2.468,340 2.973,341 0.605,342 6.961,343 2.447,344 3.534,345 2.747,346 5.115,347 3.227,348 2.209,349 2.724,350 0.389,351 5.952,352 2.233,353 3.382,354 2.327,355 5.006,356 2.983,357 1.999,358 2.685,359 0.286,360 5.91,361 1.967,362 3.046,363 2.217,364 4.786,365 2.801,366 1.821,367 2.318,368 0.157,369 4.967,370 1.796,371 2.996,372 2.121,373 4.288,374 2.765,375 1.782,376 2.131,377 0.045,378 4.17,379 1.726,380 2.942,381 2.019,382 4.219,383 2.518,384 1.546,385 1.937,387 3.776,388 1.501,389 2.768,390 1.899,391 4.068,392 2.427,393 1.437,394 1.815,396 3.43,397 1.418,398 2.645,399 1.835,400 3.679,401 2.284,402 1.296,403 1.691,405 2.995,406 1.271,407 2.501,408 1.546,409 3.595,410 2.182,411 1.191,412 1.5,414 2.82,415 1.176,416 2.5,417 1.491,418 3.562,419 2.112,420 1.117,421 1.446,423 2.632,424 1.105,425 21.067,426 0.468,427 1.141,428 0.025,429 50,430 1.111,431 21.5,432 0.478,433 28.5,434 0.633,435 51.301,436 1.14,437 50.933,438 0.572,439 50.097,440 1.113,441 9.803,442 0.218,443 11.814,444 0.263,445 0.15,447 0.328,450 0.707,451 1.416,452 0.87,453 1.178,454 0.536,455 1.059,456 0.595,457 1.214,458 0.918,459 1.121,460 0.527,461 1.072,462 0.924,463 1.064,464 1.025,465 1.103,466 0.982,467 1.086,468 1.541,469 1.03,470 1.122,471 0.942,472 1.558,473 0.959,474 1.023,475 1.086,476 0.954,477 0.982,478 1.004,479 0.955,480 1.161,481 0.925,482 0.909,483 0.88,484 1.167,485 0.852,486 1.693,487 1.068,488 1.142,489 0.967,490 1.743,491 0.964,492 1.164,493 1.082,494 1.082,495 1.04,496 1.167,497 1.045,498 9,499 0.5,500 5.333,501 2.917,502 2.159,503 1.663,504 1.295,505 1.001,506 0.862,507 0.645,508 35439,509 87051,510 2.006,511 49.4,512 10,513 20,514 1,516 5,517 1,518 7,520 1.834,521 1.862,522 3.848,523 2.066,527 136.032,528 1.528,529 3.466,530 4.796,531 5.485,532 5.799,533 5.821,534 3.299,535 5.136,536 5.461,537 4.086,538 4044.84,539 9.72,540 78506.3,544 576.34,545 1.462,546 5.412,547 0.188,548 0.007,549 0.082,550 0.044,551 0.034,552 0.024,553 0.017,554 0.013,555 0.011,556 0.009,557 0.427,558 0.17,559 0.63,560 0.809,561 263.762,562 -0.055,563 -0.106,564 0.028,565 -0.01,566 -0.024,567 0.019,568 0.133,569 -0.031,570 0.014,571 -0.042,572 0.054,573 -0.037,574 0.058,575 -0.01,576 -0.045,577 -0.09,578 -0.027,579 -0.09,580 -0.222,581 -0.046,582 -0.085,583 0.004,584 -0.18,585 -0.014,586 0.208,587 -0.065,588 0.071,589 -0.028,590 0.226,591 -0.004,592 0.032,593 0.087,594 0.115,595 0.065,596 -0.002,597 0.098,598 -0.234,599 -0.039,600 -0.096,601 -0.002,602 -0.181,603 -0.021,604 0.046,605 -0.044,606 -0.069,607 -0.055,608 0.077,609 -0.077,610 2.379,611 6.8,612 0.467,613 61.399,614 1,615 1.134,616 1.057,617 1.118,618 0.638,619 3.892,620 4.19,621 4.407,622 4.585,623 4.754,624 4.754,625 4.86,626 4.956,627 4.977,628 5.03,629 9.3,630 0.604,631 616.84,632 3.892,633 5.425,634 6.252,635 7.106,636 7.951,637 8.808,638 9.66,639 10.52,640 11.377,641 12.24,642 6.7,648 5,649 1,653 2,654 10,656 1,659 2,661 16,670 89,672 21,673 2,674 48,676 92,677 34,678 14,679 3,680 9,683 4,684 5,688 1,691 5,692 1,694 10,696 19,697 15,698 1,699 5,703 5,707 5,713 44,714 10,715 5,716 11,720 6,721 0.75,722 5,729 1,732 1,733 3,735 1,742 4,743 1,753 3,757 3,761 45,766 8,767 4,770 4,771 1,778 5.6,781 5,785 24.167,786 16.2,787 10.028,788 5.457,789 2.268,790 1.29,791 0.945,792 12.603,793 10.086,794 4.127,795 4.623,796 5.074,797 5.51,798 5.937,799 6.053,800 6.383,801 6.707,802 6.614,803 6.8,804 1,805 67,806 16.962,807 7.347,808 7.896,809 31.919,810 26.195,811 2.396,812 107.833,815 459.073,816 174.411,817 91.953,819 125.725,822 174.411,823 584.798,824 91.953,825 25.618,826 95.015,827 94.334,828 149.248,829 25.73,830 13.915,831 447.302,833 459.073,834 266.363,835 125.725,838 376.675,839 208.122,841 120.625,842 145.738,845 459.073,846 217.677,847 174.411,850 459.073,851 54.459,852 123.076,853 88.829,854 125.725,855 459.073,856 217.677,857 174.411,859 0.578,860 0.333,861 0.166,862 0.089,863 26,864 14,865 0.141,866 13,867 1,868 1.095,869 5.238,870 448.768,871 0.095,872 21,873 237.133,878 34.203,879 16.582,880 9.906,881 1.795,882 200.892,883 18.813,885 3.191,888 1.689,890 88.829,891 851.161,892 61,896 65.244,900 -2.016,902 89.036,903 100.926,904 0.236,905 0.535,906 0.741,907 0.847,908 0.895,909 0.899,910 5.366,911 1.999,912 6.229,913 5.952,914 4.875,915 5.311,916 3.528,917 6.997,918 4.85,919 6.535,920 1.821,921 7.77,922 5.91,923 4.443,924 5.066,925 3.043,926 7.825,927 4.423,928 7.816,929 1.782,930 9.412,931 4.967,932 6.435,933 7.367,934 4.585,935 10.896,936 6.383,937 9.128,938 1.546,939 11.112,940 4.17,941 6.815,942 7.971,943 4.691,944 12.547,945 6.767,946 10.473,947 1.437,948 12.849,949 3.776,950 8.273,951 9.779,952 5.794,953 15.122,954 8.197,955 11.841,956 1.296,957 14.612,958 3.43,959 9.021,960 10.806,961 6.161,962 17.117,963 8.943,964 13.226,965 1.191,966 16.392,967 2.995,968 10.263,969 12.424,970 7.065,971 19.514,972 10.161,973 3.094,974 1.117,975 18.185,976 2.82,977 11.186,978 13.679,979 7.569,980 21.666,981 11.077,982 2.965,983 10.339,984 19.989,985 2.632,986 12.336,987 15.22,988 8.37,989 23.996,990 12.207,991 2.827,992 9.469,993 21.8,994 4.474,995 13.345,996 16.596,997 8.949,998 26.224,999 13.204,1000 2.782,1001 8.748,1002 23.617,1003 3.482,1004 14.457,1005 18.107,1006 9.695,1007 28.532,1008 14.299,1009 2.592,1010 8.544,1011 25.44,1012 3.268,1013 15.508,1014 19.545,1015 10.316,1016 30.798,1017 15.336,1018 2.468,1019 7.835,1020 27.268,1021 3.163,1022 16.606,1023 21.045,1024 11.031,1025 33.102,1026 16.418,1027 2.209,1028 6.961,1029 29.099,1030 3.109,1031 17.68,1032 22.513,1033 11.677,1034 35.39,1035 17.476,1036 34117,1037 53688,1038 31.323,1039 56.773,1040 72.309,1041 74.948,1042 73.361,1043 71.05,1044 71.033,1045 87.943,1046 22.473,1047 196.968,1048 70.221,1049 5.53,1050 5.873,1051 6.345,1052 5.134,1053 5.094,1054 7.474,1055 3.517,1056 17.152,1057 5.051,1058 26.158,1059 1.506,1060 1.561,1061 1.528,1062 1.48,1063 1.48,1064 1.832,1065 0.468,1066 4.104,1067 1.463,1068 4.134,1069 4.169,1070 4.088,1071 4.05,1072 7.441,1073 4.055,1074 3.953,1075 3.992,1076 3.876,1077 3.873,1078 7.429,1079 3.867,1080 3.896,1081 3.942,1082 3.79,1083 3.778,1084 7.426,1085 3.769,1086 3.796,1087 3.843,1088 3.719,1089 3.605,1090 7.423,1091 3.627,1092 3.714,1093 3.766,1094 3.634,1095 3.504,1096 7.421,1097 3.528,1098 3.616,1099 3.672,1100 3.523,1101 3.425,1102 4.97,1103 3.436,1104 3.496,1105 3.555,1106 3.386,1107 3.295,1108 4.751,1109 3.31,1110 3.403,1111 3.472,1112 3.29,1113 3.21,1114 4.318,1115 3.224,1116 0.094,1117 0.081,1118 0.136,1119 0.085,1120 0.064,1121 4.53,1122 0.093,1123 3.873,1124 0.042,1125 6.543,1126 0.215,1127 4.08,1128 0.064,1129 3.094,1130 4.474,1131 2.01,1132 10.339,1133 3.051,1134 1.943,1135 1.92,1136 2.099,1137 2.041,1138 1.484,1139 2.058,1140 1.925,1141 1.896,1142 2.058,1143 2.035,1144 1.259,1145 2.043,1146 1.886,1147 1.836,1148 2.038,1149 2.014,1150 1.225,1151 2.024,1152 1.739,1153 1.693,1154 1.897,1155 1.949,1156 1.063,1157 1.936,1158 1.641,1159 1.59,1160 1.835,1161 1.875,1162 1.001,1163 1.864,1164 1.6,1165 1.545,1166 1.8,1167 1.824,1168 0.928,1169 1.818,1170 1.456,1171 1.4,1172 1.675,1173 1.706,1174 0.873,1175 1.699,1176 1.39,1177 1.316,1178 1.648,1179 1.65,1180 0.825,1181 1.649,1182 4.575,1183 5.878,1184 2.398,1185 7.357,1186 4.727,1187 8.911,1188 6.823,1189 10.505,1191 4.768,1197 4.952,1198 10.943,1201 -2.968,1202 1.422,1206 53.712,1207 136.032,1208 308.517,1209 426.843,1210 488.201,1211 516.076,1212 518.076,1213 161.925,1214 7.818,1215 152.5,1216 152.5,1217 23,1218 12.789,1219 4.459,1220 3.807,1221 87.712,1222 235,1223 306,1224 0.164,1225 332.955,1226 592.89,1227 804.169,1228 27758,1230 32.346,1231 0.719,1232 0.583,1233 32.346,1234 26.228,1235 21.617,1236 0.45,1237 0.325,1238 15.4,1239 20.848,1240 14.994,1241 12.484,1242 21.617,1243 15.599,1244 19.341,1245 0.298,1246 0.184,1247 19.341,1248 11.95,1249 15.712,1250 0.194,1251 0.102,1252 15.712,1253 8.24,1254 11.872,1255 0.122,1256 0.059,1257 11.872,1258 5.695,1259 9.372,1260 0.081,1261 0.033,1262 9.372,1263 3.833,1264 0.26,1265 135.466,1266 0.179,1267 39.651,1268 0.443,1269 226,1270 663.987,1271 248.423,1272 636.41,1273 839.26,1274 590,1275 259,1276 585.872,1277 281.455,1278 592.471,1279 854.51,1280 556,1281 9.3}
{0 CHEMBL182976,1 1.552,2 14.513,3 4.698,4 22.073,5 157.445,6 7.684,7 0.429,8 4.372,9 4.49,10 3.955,11 3.948,12 5.434,13 3.901,14 4.931,15 5.107,16 4.351,17 4.363,18 5.962,19 4.292,20 5.262,21 5.46,22 4.528,23 4.572,24 6.306,25 4.466,26 5.401,27 5.637,28 4.365,29 4.588,30 6.361,31 4.451,32 5.42,33 5.675,34 4.36,35 4.595,36 6.32,37 4.448,38 5.428,39 5.683,40 4.379,41 4.587,42 6.332,43 4.437,44 5.374,45 5.62,46 4.407,47 4.555,48 6.383,49 4.414,50 5.325,51 5.56,52 4.447,53 4.564,54 6.3,55 4.424,56 0.031,57 1.005,58 14.978,59 6.991,60 12.85,61 9.261,62 0.254,63 1.666,64 29.859,65 11.809,66 29.573,67 16.08,68 0.446,69 2.144,70 50.505,71 17.005,72 76.52,73 22.451,74 0.562,75 2.372,76 55.589,77 19.722,78 98.863,79 26.655,80 0.533,81 2.457,82 56.31,83 20.251,84 84.009,85 28.077,86 0.544,87 2.41,88 61.093,89 20.414,90 88.817,91 28.125,92 0.835,93 2.279,94 59.893,95 18.74,96 114.902,97 25.811,98 0.546,99 2.152,100 56.787,101 18.965,102 84.714,103 25.588,104 52,105 59,106 0.24,107 0.545,108 0.72,109 0.836,110 0.87,111 0.87,112 3.693,113 0.999,114 -5.73,115 -5.6,116 -5.22,119 41.9,120 1,121 3,122 1,124 1,125 4,127 1,132 12,133 3,134 3,144 2,155 15,157 1,158 7,160 1,162 6,163 20,166 7,170 4,173 18,176 9,179 1,181 3,183 13,185 1,186 11,189 2,191 1,193 12,196 7,200 1,203 12,205 3,206 9,211 2,214 15,218 4,223 3,224 14,227 6,229 1,231 4,234 18,238 3675,239 25.731,240 25.731,241 25.731,242 25.731,243 25.731,244 23.216,245 33.006,246 15.053,247 26.218,248 20.663,249 20.663,250 20.663,251 20.663,252 20.663,253 16.935,254 43.267,255 7.12,256 21.573,257 4.657,258 2.69,259 1.561,260 0.808,261 0.588,262 0.588,263 4.381,264 2,268 1201,269 4.743,272 631.677,277 2.142,278 41.808,280 0.5,281 0.67,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.8,288 83.167,289 566,290 4.529,291 3.8,292 7.471,293 4.408,294 3.441,295 3.9,296 1.907,297 13.186,298 3.322,299 4.297,300 3.686,301 6.376,302 3.995,303 3.016,304 3.83,305 1.2,306 9.648,307 2.957,308 4.248,309 3.531,310 6.191,311 3.866,312 2.897,313 3.818,314 0.8,315 9.157,316 2.823,317 3.854,318 3.344,319 5.806,320 3.53,321 2.603,322 3.138,323 0.765,324 7.778,325 2.45,326 3.738,327 2.989,328 5.476,329 3.44,330 2.495,331 3.005,332 0.293,333 7.256,334 2.282,335 3.547,336 2.753,337 5.354,338 3.322,339 2.393,340 2.815,341 0.149,342 6.922,343 2.16,344 3.422,345 2.577,346 4.992,347 3.049,348 2.053,349 2.609,351 5.601,352 2.024,353 3.321,354 2.162,355 4.975,356 3.005,357 2.024,358 2.392,360 5.47,361 1.967,362 3.047,363 2.1,364 4.422,365 2.712,366 1.727,367 2.171,369 4.463,370 1.673,371 2.821,372 2.092,373 4.306,374 2.403,375 1.424,376 1.95,378 3.926,379 1.367,380 2.73,381 1.793,382 4.032,383 2.304,384 1.414,385 1.789,387 3.503,388 1.223,389 2.65,390 1.478,391 3.802,392 2.225,393 1.229,394 1.706,396 2.812,397 1.197,398 2.58,399 1.284,400 3.666,401 2.179,402 1.187,403 1.594,405 2.645,406 1.171,407 2.5,408 1.182,409 3.561,410 2,411 1,412 1.5,414 2.372,415 1,416 2.159,417 1.077,418 3.412,419 1.984,420 1,421 1,423 2.136,424 0.983,425 19.129,426 0.49,427 1.116,428 0.029,429 45.75,430 1.173,431 21.5,432 0.551,433 24.25,434 0.622,435 43.199,436 1.108,437 42.671,438 0.577,439 39.179,440 1.005,441 8.9,442 0.228,443 9.742,444 0.25,445 0.179,446 0.026,447 0.277,450 0.703,451 1.307,452 0.658,453 0.992,454 0.645,455 0.958,456 0.727,457 1.089,458 0.709,459 0.903,460 0.559,461 0.92,462 1.081,463 1.121,464 0.892,465 1.032,466 1.006,467 1.062,468 1.026,469 1.084,470 0.863,471 1.009,472 1.079,473 1.044,474 0.734,475 1.006,476 0.746,477 0.955,478 0.759,479 0.986,480 0.879,481 1.059,482 0.893,483 0.996,484 0.867,485 0.995,486 0.918,487 0.923,488 1.003,489 0.947,490 0.871,491 0.973,492 0.869,493 0.977,494 0.993,495 1.012,496 0.86,497 1.002,498 9.5,499 0.376,500 5.333,501 2.563,502 2.018,503 1.604,504 1.052,505 0.674,506 0.608,507 0.477,508 24546,509 69271,510 2.016,511 47.3,513 23,516 2,517 3,518 3,519 4,520 1.797,521 1.865,522 3.789,523 0.111,527 114.885,528 1.552,529 3.52,530 4.648,531 5.402,532 5.621,533 5.621,534 3.252,535 4.753,536 5.255,537 3.994,538 2959.52,539 9.288,540 51662.3,544 459.5,545 1.589,546 5.198,547 0.226,548 0.007,549 0.09,550 0.041,551 0.036,552 0.029,553 0.019,554 0.012,555 0.011,556 0.009,557 0.481,558 0.17,559 0.75,560 0.851,561 219.654,562 -0.04,563 -0.105,564 0.014,565 -0.003,566 -0.06,567 0.016,568 0.039,569 0.064,570 0.043,571 0.052,572 0.069,573 0.039,574 -0.086,575 -0.064,576 -0.015,577 -0.06,578 -0.032,579 -0.096,580 -0.07,581 -0.094,582 -0.054,583 -0.055,584 -0.064,585 -0.071,586 0.035,587 -0.009,588 0.029,589 -0.01,590 0.007,591 -0.004,592 -0.023,593 -0.083,594 0.004,595 -0.032,596 -0.027,597 -0.007,598 0.054,599 0.081,600 -0.026,601 0.016,602 0.048,604 0.017,605 0.004,606 0.015,607 -0.013,609 -0.001,610 2.042,611 6.311,612 0.615,613 49.696,614 0.999,615 1.123,616 4.5,617 20.25,618 0.676,619 3.761,620 4.094,621 4.317,622 4.5,623 4.727,624 4.745,625 4.812,626 4.868,627 4.942,628 5.05,629 8.619,630 0.633,631 568.59,632 3.761,633 5.313,634 6.151,635 7.022,636 7.877,637 8.751,638 9.613,639 10.487,640 11.353,641 12.228,642 4.1,645 1,648 2,654 12,659 6,661 18,663 1,669 2,670 74,672 20,673 3,674 42,676 77,677 31,678 18,679 6,680 12,681 1,683 4,684 4,685 2,688 1,691 2,692 1,694 3,696 20,697 11,698 2,699 2,703 2,707 2,713 35,714 6,715 2,716 8,717 2,720 3,721 1,722 3,725 1,733 4,742 1,749 1,751 1,753 4,757 2,758 2,761 39,765 1,766 7,767 1,770 1,771 2,772 1,777 2,778 4.1,779 1,781 2,785 20.917,786 13.552,787 8.528,788 4.445,789 2.102,790 1.27,791 0.938,792 9.946,793 9.899,794 3.989,795 4.527,796 4.992,797 5.441,798 5.916,799 5.927,800 6.12,801 6.162,802 6.275,803 6.49,804 0.9,805 62,806 14.52,807 6.2,808 7.786,809 27.769,810 23.015,811 2.286,812 89.139,815 388.446,816 175.687,817 24.259,818 78.297,819 92.973,822 175.687,823 559.717,824 24.259,825 17.222,826 37.161,827 156.398,828 59.699,829 22.439,831 388.446,832 78.297,833 388.446,834 199.946,835 92.973,836 78.297,838 306.049,839 132.688,840 42.683,841 49.111,842 150.835,843 78.297,845 388.446,846 117.233,847 253.984,850 388.446,851 44.75,852 137.185,853 18.011,854 171.27,855 388.446,856 117.233,857 253.984,859 0.587,860 0.335,861 0.167,862 0.093,863 26,864 13,865 0.117,866 9,868 1,869 4.799,870 373.598,872 24,873 198.131,878 29.412,879 13.188,880 7.76,882 117.233,883 22.5,888 4.072,890 60.694,891 759.663,892 53,896 24.758,900 -0.314,902 73.956,903 83.07,904 0.25,905 0.567,906 0.749,907 0.87,908 0.905,909 0.905,910 5.244,911 2.024,912 6.163,913 5.601,914 4.779,915 5.215,916 2.49,917 6.987,918 4.699,919 6.442,920 1.727,921 7.745,922 5.47,923 4.511,924 4.997,925 1.738,926 8.139,927 4.348,928 7.747,929 1.424,930 9.437,931 4.463,932 6.428,933 7.294,934 3.132,935 11.169,936 6.28,937 9.083,938 1.414,939 11.2,940 3.926,941 6.967,942 7.827,943 3.09,944 13.207,945 6.749,946 10.45,947 1.229,948 13.013,949 3.503,950 8.402,951 9.657,952 4.128,953 15.858,954 8.189,955 11.839,956 1.187,957 14.862,958 2.812,959 9.3,960 10.543,961 4.432,962 18.236,963 9.034,964 13.246,965 1,966 16.74,967 2.645,968 10.565,969 12.165,970 5.285,971 20.807,972 10.29,973 3.441,974 1,975 18.64,976 2.372,977 11.627,978 13.241,979 5.759,980 23.311,981 11.312,982 3.016,983 13.186,984 20.56,985 2.136,986 12.838,987 14.752,988 6.514,989 25.874,990 12.502,991 2.897,992 9.648,993 22.495,994 3.9,995 13.977,996 15.937,997 7.072,998 28.422,999 13.605,1000 2.603,1001 9.157,1002 24.443,1003 3.83,1004 15.176,1005 17.384,1006 7.776,1007 30.99,1008 14.777,1009 2.495,1010 7.778,1011 26.402,1012 3.818,1013 16.352,1014 18.633,1015 8.376,1016 33.555,1017 15.919,1018 2.393,1019 7.256,1020 28.37,1021 3.138,1022 17.554,1023 20.041,1024 9.053,1025 36.128,1026 17.089,1027 2.053,1028 6.922,1029 30.345,1030 3.005,1031 18.751,1032 21.33,1033 9.674,1034 38.701,1035 18.251,1036 23622,1037 39879,1038 27.334,1039 50.04,1040 63.358,1041 65.125,1042 64.967,1043 62.804,1044 62.48,1045 77.656,1046 10.227,1047 180.21,1048 59.775,1049 5.529,1050 5.8,1051 7.273,1052 5.443,1053 5.441,1054 6.9,1055 3.306,1056 20.477,1057 5.322,1058 22.893,1059 1.509,1060 1.551,1061 1.547,1062 1.495,1063 1.488,1064 1.849,1065 0.244,1066 4.291,1067 1.423,1068 4.028,1069 4.064,1070 4.124,1071 3.948,1072 7.431,1073 3.943,1074 3.949,1075 3.979,1076 3.925,1077 3.883,1078 7.426,1079 3.877,1080 3.915,1081 3.938,1082 3.885,1083 3.853,1084 6.447,1085 3.852,1086 3.747,1087 3.8,1088 3.675,1089 3.615,1090 5.04,1091 3.612,1092 3.626,1093 3.68,1094 3.573,1095 3.47,1096 4.74,1097 3.467,1098 3.518,1099 3.563,1100 3.45,1101 3.306,1102 4.716,1103 3.328,1104 3.403,1105 3.468,1106 3.399,1107 3.2,1108 4.491,1109 3.21,1110 3.139,1111 3.206,1112 3.307,1113 2.973,1114 4.353,1115 2.975,1116 0.108,1117 0.09,1118 0.178,1119 0.105,1120 0.082,1121 4.529,1122 0.093,1123 3.8,1124 0.045,1125 7.471,1126 0.314,1127 4.408,1128 0.079,1129 3.441,1130 3.9,1131 1.907,1132 13.186,1133 3.322,1134 1.964,1135 1.935,1136 2.1,1137 2.084,1138 1.434,1139 2.093,1140 1.938,1141 1.914,1142 2.044,1143 2.038,1144 1.338,1145 2.042,1146 1.904,1147 1.881,1148 2.002,1149 1.987,1150 1.101,1151 1.998,1152 1.735,1153 1.681,1154 1.912,1155 1.882,1156 1.049,1157 1.898,1158 1.585,1159 1.533,1160 1.769,1161 1.78,1162 0.961,1163 1.78,1164 1.455,1165 1.404,1166 1.706,1167 1.687,1168 0.842,1169 1.694,1170 1.37,1171 1.3,1172 1.655,1173 1.601,1174 0.825,1175 1.623,1176 1.153,1177 1.064,1178 1.513,1179 1.376,1180 0.715,1181 1.429,1182 4.443,1183 5.771,1185 7.29,1187 8.89,1189 10.532,1191 3.228,1192 12.555,1196 11.207,1197 5.077,1198 2.73,1201 0.03,1202 4.088,1203 -0.792,1206 46.819,1207 114.885,1208 260.467,1209 343.951,1210 399.725,1211 415.99,1212 415.99,1213 104.801,1214 7.796,1215 72.88,1216 72.88,1217 24,1218 12.769,1219 4.392,1220 3.585,1221 70.16,1222 191,1223 216,1224 0.165,1225 295.395,1226 523.47,1227 712.525,1228 26694,1229 2.7,1230 27.993,1231 0.718,1232 0.612,1233 28.993,1234 23.881,1235 18.642,1236 0.444,1237 0.333,1238 13.163,1239 17.593,1240 12.709,1241 10.503,1242 19.219,1243 13.984,1244 17.292,1245 0.293,1246 0.189,1247 18.033,1248 11.16,1249 14.033,1250 0.19,1251 0.111,1252 14.948,1253 8.213,1254 10.694,1255 0.12,1256 0.062,1257 11.08,1258 5.525,1259 8.752,1260 0.078,1261 0.036,1262 9.15,1263 4.061,1264 0.262,1265 121.536,1266 0.191,1267 35.408,1268 0.443,1269 202,1270 549.651,1271 246.453,1272 596.365,1273 780.16,1274 552,1275 234,1276 510.86,1277 274.37,1278 542.103,1279 785.63,1280 508,1281 8}
{0 CHEMBL184214,1 1.622,2 13.921,3 6.337,4 40.16,5 159.412,6 8.241,7 0.439,8 4.305,9 4.415,10 3.955,11 3.925,12 5.389,13 3.87,14 4.855,15 5.023,16 4.333,17 4.328,18 5.869,19 4.256,20 5.196,21 5.392,22 4.531,23 4.548,24 6.219,25 4.439,26 5.35,27 5.579,28 4.401,29 4.572,30 6.347,31 4.432,32 5.37,33 5.625,34 4.404,35 4.585,36 6.273,37 4.428,38 5.36,39 5.605,40 4.417,41 4.573,42 6.298,43 4.412,44 5.318,45 5.566,46 4.395,47 4.545,48 6.231,49 4.386,50 5.244,51 5.465,52 4.449,53 4.553,54 6.23,55 4.398,56 0.023,57 0.914,58 12.472,59 6.3,60 14.526,61 8.202,62 0.205,63 1.558,64 25.789,65 10.582,66 24.924,67 14.196,68 0.338,69 2.044,70 45.644,71 16.344,72 59.118,73 21.196,74 0.601,75 2.35,76 52.689,77 19.39,78 101.313,79 25.056,80 0.446,81 2.457,82 56.239,83 20.528,84 80.717,85 27.004,86 0.549,87 2.403,88 60.662,89 20.263,90 94.785,91 26.268,92 0.626,93 2.247,94 59.078,95 19.441,96 82.566,97 25.449,98 0.463,99 2.099,100 56.301,101 19.088,102 76.174,103 24.191,104 39,105 57,106 0.254,107 0.548,108 0.696,109 0.823,110 0.868,111 0.868,112 3.668,113 1.013,114 -7.42,115 -7.2,116 -6.65,119 43.5,121 3,122 1,124 1,125 4,127 1,132 12,133 3,134 3,144 2,155 15,157 1,158 8,162 3,163 20,166 7,170 2,173 18,175 2,176 10,179 1,181 2,183 11,185 1,186 9,191 1,193 9,196 7,200 1,203 10,205 1,206 9,211 1,214 15,218 5,223 1,224 15,226 1,227 7,229 1,231 2,234 17,238 3356,239 25.499,240 25.499,241 25.499,242 25.499,243 25.499,244 22.688,245 31.997,246 15.067,247 26.128,248 20.122,249 20.122,250 20.122,251 20.122,252 20.122,253 16.234,254 41.465,255 7.003,256 21.222,257 4.486,258 2.607,259 1.658,260 0.85,261 0.562,262 0.562,263 4.358,264 2,268 1125,269 4.528,272 607.754,277 1.929,278 36.858,280 0.5,281 0.67,282 0.5,283 0.6,284 0.5,285 0.67,286 1,287 0.63,288 80.167,289 529,290 4.529,291 3.8,292 7.471,293 4.408,294 3.441,295 3.993,296 1.697,297 13.186,298 3.322,299 4.392,300 3.708,301 6.59,302 4.062,303 3.077,304 3.898,305 1.2,306 10.346,307 3.028,308 4.265,309 3.346,310 6.219,311 3.895,312 2.93,313 3.818,314 0.8,315 9.309,316 2.845,317 3.816,318 3.32,319 5.82,320 3.5,321 2.599,322 3.061,323 0.765,324 7.821,325 2.308,326 3.638,327 2.992,328 5.576,329 3.357,330 2.426,331 2.901,332 0.293,333 7.049,334 2.265,335 3.546,336 2.754,337 5.354,338 3.256,339 2.312,340 2.815,342 6.909,343 2.102,344 3.321,345 2.642,346 4.991,347 3.005,348 2.024,349 2.439,351 5.471,352 1.968,353 3.209,354 2.156,355 4.584,356 2.593,357 1.642,358 2.392,360 4.554,361 1.544,362 2.878,363 2.093,364 4.275,365 2.493,366 1.512,367 1.98,369 3.78,370 1.471,371 2.82,372 2.076,373 4.031,374 2.33,375 1.414,376 1.945,378 3.499,379 1.308,380 2.732,381 1.58,382 3.802,383 2.302,384 1.35,385 1.738,387 3.075,388 1.21,389 2.658,390 1.478,391 3.681,392 2.21,393 1.219,394 1.706,396 2.808,397 1.188,398 2.586,399 1.314,400 3.66,401 2,402 1,403 1.597,405 2.372,406 1,407 2.5,408 1.284,409 3.41,410 1.984,411 1,412 1.5,414 2.136,415 0.983,416 2.174,417 1.077,418 3.247,419 1.887,420 1,421 1,423 1.894,424 0.871,425 19.129,426 0.503,427 0.955,428 0.025,429 46,430 1.211,431 22.5,432 0.592,433 23.5,434 0.618,435 41.215,436 1.085,437 40.271,438 0.584,439 38.173,440 1.005,441 8.897,442 0.234,443 9.406,444 0.248,445 0.179,446 0.026,447 0.251,450 0.71,451 1.224,452 0.593,453 0.87,454 0.651,455 0.898,456 0.801,457 1.044,458 0.643,459 0.814,460 0.589,461 0.888,462 0.989,463 1.092,464 0.746,465 0.929,466 0.891,467 1.015,468 1.116,469 1.013,470 0.787,471 0.904,472 1.262,473 1.021,474 0.823,475 0.97,476 0.706,477 0.862,478 0.821,479 0.925,480 0.953,481 1.052,482 0.917,483 1.007,484 0.931,485 1.026,486 0.945,487 0.877,488 0.92,489 0.877,490 0.962,491 0.939,492 0.848,493 1.036,494 1.075,495 1.103,496 0.871,497 1.055,498 8,499 0.355,500 5.556,501 2.438,502 2.098,503 1.521,504 0.971,505 0.642,506 0.558,507 0.507,508 22533,509 67389,510 2.031,511 44.9,513 23,516 1,518 3,519 4,520 1.792,521 1.892,522 3.73,523 -0.4,527 111.946,528 1.622,529 3.502,530 4.451,531 5.259,532 5.547,533 5.547,534 3.177,535 4.827,536 5.219,537 3.92,538 2755.76,539 9.218,540 46819.9,544 421.488,545 1.538,546 5.168,547 0.195,548 0.007,549 0.097,550 0.039,551 0.037,552 0.027,553 0.018,554 0.012,555 0.01,556 0.009,557 0.453,558 0.17,559 0.75,560 0.835,561 211.595,562 -0.032,563 -0.128,564 0.011,565 -0.015,566 -0.03,567 0.005,568 -0.003,569 0.043,570 0.024,571 0.024,572 0.052,573 0.021,574 -0.021,575 -0.099,576 0.033,577 -0.055,578 0.038,579 -0.071,580 -0.037,581 -0.043,582 -0.034,583 -0.018,584 -0.056,585 -0.068,586 -0.003,587 0.012,588 0.066,589 0.06,590 0.023,591 0.057,592 -0.035,593 -0.065,594 -0.022,595 -0.056,596 -0.021,597 -0.043,598 -0.001,599 0.091,600 0.006,601 0.057,602 -0.057,603 0.048,604 0.036,605 -0.06,606 -0.053,607 -0.098,608 -0.007,609 -0.053,610 2.036,611 6.359,612 0.632,613 45.296,614 0.999,615 1.115,616 6.191,617 38.333,618 0.706,619 3.738,620 4.06,621 4.317,622 4.5,623 4.727,624 4.71,625 4.762,626 4.82,627 4.934,628 5.043,629 8.268,630 0.656,631 568.61,632 3.738,633 5.283,634 6.129,635 7,636 7.864,637 8.739,638 9.608,639 10.484,640 11.356,641 12.232,642 4.3,645 1,648 1,650 1,654 12,659 6,661 18,663 1,664 1,669 2,670 69,672 21,673 3,674 41,676 72,677 30,678 18,679 6,680 12,681 1,683 4,684 4,685 2,691 2,692 1,694 3,695 1,696 19,697 10,698 2,699 3,700 1,703 1,704 1,706 1,707 1,713 31,714 5,715 1,716 8,717 3,720 3,721 1,722 2,725 1,733 4,749 1,751 1,753 4,755 1,757 1,758 2,761 38,765 1,766 7,770 1,771 2,772 1,777 2,778 2.9,779 1,781 1,785 20.083,786 12.502,787 8.472,788 4.177,789 2.356,790 1.304,791 0.941,792 9.861,793 10.097,794 3.989,795 4.527,796 5.029,797 5.495,798 5.969,799 5.977,800 6.128,801 6.184,802 6.352,803 6.639,804 1,805 62,806 14.102,807 5.993,808 7.74,809 27.009,810 22.342,811 2.24,812 85.139,815 353.133,816 221.295,817 23.034,818 78.297,819 67.828,821 45.192,822 176.103,823 499.259,824 23.034,825 8.396,826 19.151,827 156.398,828 43.795,829 39.225,831 353.133,832 123.489,833 353.133,834 199.137,835 67.828,836 123.489,838 270.735,839 107.543,840 42.683,841 39.061,842 160.076,843 78.297,844 45.192,845 353.133,846 90.862,847 299.592,850 353.133,851 40.046,852 128.36,853 13.946,854 208.103,855 353.133,856 90.862,857 299.592,859 0.58,860 0.346,861 0.177,862 0.099,863 25,864 12,865 0.125,866 9,868 1,869 4.706,870 363.357,872 24,873 191.421,875 1,878 28.602,879 13.101,880 7.178,882 90.862,883 22.716,888 3.992,890 42.683,891 743.588,892 53,893 2.356,896 13.359,897 4.756,899 4.058,900 -0.134,902 68.938,903 76.95,904 0.266,905 0.573,906 0.729,907 0.861,908 0.908,909 0.908,910 5.234,911 1.642,912 6.133,913 5.471,914 4.745,915 5.215,916 2.466,917 6.971,918 4.652,919 6.428,920 1.512,921 7.722,922 4.554,923 4.443,924 4.913,925 0.57,926 8.155,927 4.26,928 7.73,929 1.414,930 9.426,931 3.78,932 6.402,933 7.313,934 3.103,935 11.202,936 6.241,937 9.068,938 1.35,939 11.203,940 3.499,941 6.948,942 7.815,943 0.801,944 13.261,945 6.719,946 10.441,947 1.219,948 13.029,949 3.075,950 8.399,951 9.702,952 3.992,953 15.916,954 8.178,955 11.838,956 1,957 14.89,958 2.808,959 9.311,960 10.593,961 1.074,962 18.295,963 9.043,964 13.254,965 1,966 16.778,967 2.372,968 10.584,969 12.244,970 4.979,971 20.864,972 10.308,973 3.441,974 1,975 18.687,976 2.136,977 11.657,978 13.342,979 1.404,980 23.36,981 11.345,982 3.077,983 13.186,984 20.612,985 1.894,986 12.872,987 14.869,988 6.007,989 25.918,990 12.541,991 2.93,992 10.346,993 22.55,994 3.993,995 14.017,996 16.082,997 1.768,998 28.459,999 13.653,1000 2.599,1001 9.309,1002 24.5,1003 3.898,1004 15.218,1005 17.541,1006 7.051,1007 31.022,1008 14.829,1009 2.426,1010 7.821,1011 26.458,1012 3.818,1013 16.397,1014 18.819,1015 2.15,1016 33.582,1017 15.975,1018 2.312,1019 7.049,1020 28.425,1021 3.061,1022 17.599,1023 20.239,1024 8.103,1025 36.15,1026 17.147,1027 2.024,1028 6.909,1029 30.398,1030 2.901,1031 18.796,1032 21.555,1033 2.538,1034 38.719,1035 18.31,1036 21641,1037 37665,1038 26.929,1039 48.711,1040 61.703,1041 64.401,1042 63.443,1043 60.99,1044 60.623,1045 76.868,1046 9.509,1047 174.556,1048 57.428,1049 5.529,1050 5.8,1051 7.273,1052 5.443,1053 5.441,1054 6.993,1055 3.394,1056 20.477,1057 5.322,1058 20.606,1059 1.505,1060 1.571,1061 1.547,1062 1.488,1063 1.479,1064 1.875,1065 0.232,1066 4.257,1067 1.401,1068 4.026,1069 4.062,1070 4.124,1071 3.948,1072 7.428,1073 3.943,1074 3.948,1075 3.976,1076 3.972,1077 3.883,1078 6.447,1079 3.877,1080 3.912,1081 3.933,1082 3.903,1083 3.857,1084 5.183,1085 3.854,1086 3.747,1087 3.8,1088 3.746,1089 3.615,1090 5.04,1091 3.612,1092 3.609,1093 3.664,1094 3.665,1095 3.468,1096 4.733,1097 3.462,1098 3.415,1099 3.479,1100 3.557,1101 3.274,1102 4.656,1103 3.229,1104 3.255,1105 3.279,1106 3.4,1107 3.216,1108 4.491,1109 3.168,1110 3.139,1111 3.206,1112 3.334,1113 2.974,1114 4.353,1115 2.975,1116 0.11,1117 0.093,1118 0.182,1119 0.108,1120 0.084,1121 4.529,1122 0.097,1123 3.8,1124 0.041,1125 7.471,1126 0.322,1127 4.408,1128 0.081,1129 3.441,1130 3.993,1131 1.697,1132 13.186,1133 3.322,1134 1.964,1135 1.935,1136 2.1,1137 2.084,1138 1.434,1139 2.092,1140 1.937,1141 1.914,1142 2.042,1143 2.032,1144 1.338,1145 2.038,1146 1.901,1147 1.88,1148 1.993,1149 1.977,1150 1.087,1151 1.988,1152 1.734,1153 1.681,1154 1.912,1155 1.882,1156 1.049,1157 1.898,1158 1.581,1159 1.53,1160 1.767,1161 1.757,1162 0.96,1163 1.769,1164 1.381,1165 1.312,1166 1.659,1167 1.607,1168 0.839,1169 1.63,1170 1.166,1171 1.154,1172 1.513,1173 1.376,1174 0.825,1175 1.429,1176 1.153,1177 1.064,1178 1.392,1179 1.325,1180 0.589,1181 1.346,1182 4.419,1183 5.74,1185 7.263,1187 8.874,1189 10.528,1191 1.797,1192 12.559,1196 11.205,1197 5.124,1201 0.037,1202 4.1,1203 -0.786,1206 45.238,1207 111.946,1208 241.636,1209 307.085,1210 362.859,1211 382.733,1212 382.733,1213 96.301,1214 7.741,1215 56.14,1216 88.23,1217 24,1218 12.771,1219 4.459,1220 3.7,1221 67.318,1222 179,1223 206,1224 0.169,1225 290.01,1226 513.25,1227 699.385,1228 24774,1229 2.9,1230 27.123,1231 0.714,1232 0.622,1233 28.623,1234 23.645,1235 18.303,1236 0.446,1237 0.338,1238 12.668,1239 17.036,1240 12.233,1241 10.093,1242 19.234,1243 13.845,1244 16.367,1245 0.287,1246 0.189,1247 17.358,1248 10.801,1249 13.964,1250 0.189,1251 0.11,1252 15.023,1253 8.175,1254 10.619,1255 0.119,1256 0.062,1257 11.19,1258 5.477,1259 8.819,1260 0.079,1261 0.036,1262 9.396,1263 4.082,1264 0.268,1265 122.506,1266 0.193,1267 34.547,1268 0.458,1269 196,1270 530.088,1271 247.932,1272 605.876,1273 790.37,1274 560,1275 229,1276 506.158,1277 273.051,1278 548.481,1279 792.89,1280 513,1281 8.5}
{0 CHEMBL184278,1 1.641,2 14.525,3 5.589,4 31.234,5 165.332,6 8.75,7 0.419,8 4.375,9 4.488,10 4.074,11 3.973,12 5.436,13 3.922,14 4.936,15 5.104,16 4.445,17 4.393,18 5.964,19 4.314,20 5.265,21 5.458,22 4.7,23 4.588,24 6.33,25 4.487,26 5.406,27 5.635,28 4.483,29 4.616,30 6.39,31 4.481,32 5.443,33 5.693,34 4.551,35 4.639,36 6.362,37 4.499,38 5.457,39 5.696,40 4.633,41 4.66,42 6.455,43 4.506,44 5.435,45 5.686,46 4.658,47 4.624,48 6.382,49 4.472,50 5.339,51 5.562,52 4.6,53 4.617,54 6.322,55 4.469,56 0.042,57 0.991,58 12.664,59 6.911,60 13.347,61 8.954,62 0.287,63 1.657,64 33.675,65 12.245,66 30.186,67 15.922,68 0.531,69 2.147,70 51.743,71 17.178,72 78.241,73 22.089,74 0.668,75 2.41,76 58.729,77 20.423,78 101.932,79 26.669,80 0.549,81 2.526,82 60.241,83 21.206,84 86.517,85 28.306,86 0.77,87 2.503,88 68.898,89 21.853,90 123.206,91 28.596,92 0.88,93 2.393,94 78.91,95 21.511,96 105.331,97 28.032,98 0.598,99 2.192,100 61.25,101 20.083,102 92.77,103 25.973,104 53,105 60,106 0.254,107 0.557,108 0.718,109 0.834,110 0.876,111 0.876,112 3.717,113 1.063,114 -6,115 -5.86,116 -5.45,117 1,119 41.9,121 3,122 1,124 1,125 5,127 1,132 12,133 3,134 3,144 2,155 15,157 1,158 6,160 1,162 5,163 20,166 6,170 5,173 18,176 11,179 3,181 3,183 11,185 1,186 11,191 1,193 11,195 2,196 7,200 2,203 12,205 1,206 9,211 3,214 16,218 4,223 3,224 15,227 8,229 2,231 3,234 18,238 3864,239 26.653,240 26.653,241 26.653,242 26.653,243 26.653,244 24.163,245 34.105,246 15.59,247 27.222,248 21.067,249 21.067,250 21.067,251 21.067,252 21.067,253 17.324,254 44.627,255 7.275,256 22.151,257 4.568,258 2.611,259 1.573,260 0.819,261 0.551,262 0.551,263 4.406,264 2,268 1230,269 4.848,272 641.774,277 2.101,278 44.281,280 0.5,281 0.67,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.8,288 84.917,289 581,290 4.529,291 3.8,292 7.471,293 4.408,294 3.441,295 3.966,296 2.083,297 13.186,298 3.322,299 4.388,300 3.718,301 6.595,302 4.069,303 3.084,304 3.898,305 1.2,306 10.376,307 3.035,308 4.265,309 3.609,310 6.22,311 3.898,312 2.934,313 3.818,314 0.8,315 9.313,316 2.847,317 3.822,318 3.344,319 5.822,320 3.517,321 2.609,322 3.058,323 0.765,324 7.835,325 2.377,326 3.688,327 2.992,328 5.613,329 3.402,330 2.455,331 2.909,332 0.456,333 7.22,334 2.28,335 3.548,336 2.754,337 5.354,338 3.313,339 2.376,340 2.815,341 0.293,342 6.918,343 2.158,344 3.48,345 2.646,346 4.992,347 3.11,348 2.135,349 2.697,351 5.723,352 2.039,353 3.321,354 2.156,355 4.98,356 3.005,357 2.024,358 2.392,360 5.471,361 1.966,362 2.882,363 2.093,364 4.495,365 2.538,366 1.559,367 2.02,369 4.351,370 1.496,371 2.843,372 2.075,373 4.229,374 2.4,375 1.414,376 1.955,378 3.644,379 1.387,380 2.818,381 1.845,382 4.03,383 2.325,384 1.414,385 1.925,387 3.488,388 1.303,389 2.66,390 1.538,391 3.802,392 2.301,393 1.345,394 1.715,396 3.02,397 1.21,398 2.586,399 1.478,400 3.668,401 2.209,402 1.219,403 1.598,405 2.808,406 1.188,407 2.5,408 1.311,409 3.649,410 2,411 1,412 1.5,414 2.372,415 1,416 2.176,417 1.284,418 3.41,419 1.984,420 1,421 1,423 2.136,424 0.983,425 20.462,426 0.512,427 1.061,428 0.027,429 46.25,430 1.156,431 21.5,432 0.538,433 24.75,434 0.619,435 47.564,436 1.189,437 43.138,438 0.583,439 38.34,440 0.959,441 8.41,442 0.21,443 10.787,444 0.27,445 0.208,446 0.024,447 0.259,450 0.695,451 1.287,452 0.524,453 0.878,454 0.636,455 0.908,456 0.751,457 1.095,458 0.812,459 0.918,460 0.592,461 0.939,462 0.986,463 1.149,464 0.557,465 0.963,466 0.962,467 1.02,468 0.973,469 1.077,470 0.572,471 0.929,472 1.058,473 1.029,474 0.82,475 1.017,476 0.482,477 0.827,478 0.838,479 0.917,480 0.887,481 1.065,482 0.75,483 0.95,484 0.875,485 1.019,486 0.931,487 0.891,488 0.862,489 0.913,490 0.952,491 0.924,492 0.892,493 1.028,494 0.745,495 0.977,496 0.934,497 1.032,498 9,499 0.372,500 5.778,501 2.563,502 2.258,503 1.604,504 1.154,505 0.701,506 0.583,507 0.567,508 25703,509 78798,510 2.015,511 45.9,513 25,516 2,518 3,519 4,520 1.804,521 1.868,522 3.789,523 0.124,527 121.436,528 1.641,529 3.598,530 4.636,531 5.39,532 5.659,533 5.659,534 3.237,535 4.922,536 5.293,537 3.982,538 3106.03,539 9.368,540 54819.5,544 459.5,545 1.573,546 5.237,547 0.209,548 0.007,549 0.096,550 0.039,551 0.038,552 0.026,553 0.02,554 0.012,555 0.01,556 0.01,557 0.468,558 0.17,559 0.75,560 0.972,561 226.333,562 -0.044,563 -0.102,564 0.002,566 -0.053,567 0.015,568 0.012,569 0.049,570 -0.052,571 -0.007,572 0.037,573 -0.005,574 -0.016,575 -0.096,576 0.038,577 -0.076,578 0.008,579 -0.081,580 -0.029,581 -0.073,582 -0.022,583 -0.052,584 -0.046,585 -0.077,586 -0.014,587 -0.012,588 0.054,589 0.045,590 -0.001,591 0.046,592 0.018,593 -0.065,594 0.001,595 -0.028,596 0.036,597 -0.049,598 0.012,599 0.092,600 0.021,601 0.04,602 -0.032,603 0.058,604 -0.008,605 -0.044,606 -0.007,607 -0.036,608 -0.038,609 -0.047,610 2.05,611 6.513,612 0.6,613 50.06,614 1.003,615 1.12,616 4.774,617 22.792,618 0.694,619 3.784,620 4.111,621 4.357,622 4.533,623 4.771,624 4.771,625 4.828,626 4.875,627 4.977,628 5.094,629 8.59,630 0.647,631 647.48,632 3.784,633 5.333,634 6.176,635 7.047,636 7.909,637 8.783,638 9.651,639 10.527,640 11.398,641 12.275,642 4.1,645 1,648 2,654 12,659 6,661 18,663 1,669 2,670 74,672 20,673 3,674 43,675 1,676 77,677 31,678 18,679 6,680 12,681 1,682 1,683 4,684 4,685 2,688 1,691 2,692 1,694 3,696 20,697 11,698 2,699 2,703 2,707 2,713 34,714 6,715 2,716 9,717 3,720 3,721 1,722 3,725 1,733 4,742 1,749 1,751 1,753 4,756 1,757 1,758 2,761 40,765 1,766 8,767 1,770 1,771 2,772 1,777 3,778 4.1,779 1,781 2,785 21.417,786 13.195,787 8.889,788 4.398,789 2.185,790 1.278,791 0.942,792 10.949,793 10.034,794 4.007,795 4.538,796 5.022,797 5.461,798 5.932,799 5.93,800 6.087,801 6.154,802 6.312,803 6.583,804 0.9,805 65,806 14.91,807 6.376,808 7.785,809 28.482,810 23.597,811 2.285,812 91.389,815 376.675,816 169.266,817 70.213,818 78.297,819 92.973,822 215.22,823 547.946,824 24.259,825 8.396,826 39.566,827 156.398,828 59.699,829 22.439,831 376.675,832 124.251,833 376.675,834 193.525,835 92.973,836 78.297,837 45.954,838 294.278,839 132.688,840 42.683,841 42.69,842 150.835,843 78.297,844 45.954,845 376.675,846 117.233,847 293.517,850 376.675,851 47.154,852 128.36,853 63.965,854 171.27,855 376.675,856 117.233,857 293.517,859 0.584,860 0.345,861 0.169,862 0.097,863 26,864 13,865 0.117,866 9,868 1,869 4.832,870 389.307,872 24,873 204.877,878 30.858,879 14.192,880 8.022,882 117.233,883 22.533,888 3.856,890 60.694,891 787.425,892 54,896 25.491,900 -0.404,902 74.185,903 82.911,904 0.264,905 0.579,906 0.747,907 0.868,908 0.911,909 0.911,910 5.26,911 2.024,912 6.184,913 5.723,914 4.796,915 5.226,916 2.644,917 7.017,918 4.705,919 6.453,920 1.559,921 7.771,922 5.471,923 4.511,924 4.997,925 1.738,926 8.186,927 4.348,928 7.758,929 1.414,930 9.471,931 4.351,932 6.45,933 7.309,934 3.485,935 11.227,936 6.292,937 9.097,938 1.414,939 11.242,940 3.644,941 6.995,942 7.861,943 3.351,944 13.273,945 6.774,946 10.47,947 1.345,948 13.062,949 3.488,950 8.436,951 9.69,952 4.69,953 15.928,954 8.216,955 11.865,956 1.219,957 14.917,958 3.02,959 9.342,960 10.607,961 4.932,962 18.301,963 9.077,964 13.279,965 1,966 16.8,967 2.808,968 10.61,969 12.225,970 6.035,971 20.87,972 10.335,973 3.441,974 1,975 18.704,976 2.372,977 11.679,978 13.334,979 6.475,980 23.364,981 11.367,982 3.084,983 13.186,984 20.625,985 2.136,986 12.89,987 14.844,988 7.437,989 25.921,990 12.56,991 2.934,992 10.376,993 22.561,994 3.966,995 14.033,996 16.059,997 7.99,998 28.462,999 13.669,1000 2.609,1001 9.313,1002 24.508,1003 3.898,1004 15.232,1005 17.508,1006 8.866,1007 31.024,1008 14.842,1009 2.455,1010 7.835,1011 26.465,1012 3.818,1013 16.409,1014 18.785,1015 9.487,1016 33.583,1017 15.987,1018 2.376,1019 7.22,1020 28.43,1021 3.058,1022 17.61,1023 20.199,1024 10.31,1025 36.151,1026 17.158,1027 2.135,1028 6.918,1029 30.402,1030 2.909,1031 18.805,1032 21.511,1033 10.973,1034 38.72,1035 18.32,1036 24790,1037 43647,1038 28.027,1039 51.392,1040 64.253,1041 67.032,1042 66.692,1043 63.776,1044 63.553,1045 78.684,1046 11.191,1047 183.413,1048 60.194,1049 5.529,1050 5.8,1051 7.273,1052 5.443,1053 5.441,1054 6.966,1055 3.736,1056 20.477,1057 5.322,1058 23.131,1059 1.494,1060 1.559,1061 1.551,1062 1.483,1063 1.478,1064 1.83,1065 0.26,1066 4.265,1067 1.4,1068 4.029,1069 4.065,1070 6.88,1071 3.948,1072 7.431,1073 3.944,1074 3.95,1075 3.98,1076 4.124,1077 3.883,1078 7.425,1079 3.877,1080 3.916,1081 3.938,1082 3.925,1083 3.855,1084 6.447,1085 3.854,1086 3.747,1087 3.8,1088 3.886,1089 3.615,1090 5.04,1091 3.612,1092 3.614,1093 3.669,1094 3.673,1095 3.468,1096 4.74,1097 3.463,1098 3.526,1099 3.555,1100 3.564,1101 3.396,1102 4.716,1103 3.365,1104 3.413,1105 3.477,1106 3.401,1107 3.216,1108 4.491,1109 3.227,1110 3.14,1111 3.206,1112 3.354,1113 2.974,1114 4.353,1115 2.976,1116 0.105,1117 0.088,1118 0.174,1119 0.103,1120 0.08,1121 4.529,1122 0.092,1123 3.8,1124 0.048,1125 7.471,1126 0.307,1127 4.408,1128 0.077,1129 3.441,1130 3.966,1131 2.083,1132 13.186,1133 3.322,1134 1.964,1135 1.935,1136 2.1,1137 2.084,1138 1.434,1139 2.093,1140 1.938,1141 1.915,1142 2.044,1143 2.039,1144 1.338,1145 2.042,1146 1.904,1147 1.882,1148 2,1149 1.986,1150 1.104,1151 1.997,1152 1.734,1153 1.681,1154 1.912,1155 1.882,1156 1.049,1157 1.898,1158 1.582,1159 1.53,1160 1.767,1161 1.764,1162 0.961,1163 1.772,1164 1.433,1165 1.402,1166 1.659,1167 1.647,1168 0.841,1169 1.645,1170 1.381,1171 1.312,1172 1.536,1173 1.604,1174 0.825,1175 1.625,1176 1.153,1177 1.064,1178 1.513,1179 1.376,1180 0.774,1181 1.429,1182 4.466,1183 5.79,1185 7.311,1187 8.917,1189 10.566,1190 3.155,1191 1.775,1192 12.582,1196 11.227,1197 5.123,1198 2.789,1201 0.003,1202 4.061,1203 -0.8,1206 47.844,1207 121.436,1208 266.267,1209 343.096,1210 398.87,1211 418.745,1212 418.745,1213 113.018,1214 7.849,1215 72.88,1216 72.88,1217 24,1218 12.814,1219 4.392,1220 3.585,1221 72.942,1222 196,1223 226,1224 0.167,1225 307.309,1226 542.75,1227 741.595,1228 28745,1229 4.1,1230 28.7,1231 0.718,1232 0.639,1233 30.7,1234 25.552,1235 19.197,1236 0.446,1237 0.354,1238 13.359,1239 17.632,1240 12.872,1241 10.592,1242 20.481,1243 15.232,1244 17.327,1245 0.289,1246 0.195,1247 18.477,1248 11.687,1249 14.707,1250 0.191,1251 0.115,1252 16.318,1253 8.845,1254 10.865,1255 0.118,1256 0.062,1257 11.418,1258 5.68,1259 9.112,1260 0.078,1261 0.037,1262 9.724,1263 4.289,1264 0.265,1265 135.118,1266 0.189,1267 36.011,1268 0.453,1269 206,1270 572.305,1271 305.018,1272 651.393,1273 841.22,1274 604,1275 240,1276 524.726,1277 306.465,1278 562.97,1279 820.79,1280 527,1281 8}
{0 CHEMBL184391,1 1.627,2 13.526,3 5.472,4 29.945,5 151.688,6 8.066,7 0.439,8 4.316,9 4.426,10 3.941,11 3.89,12 5.432,13 3.852,14 4.872,15 5.034,16 4.337,17 4.316,18 6.01,19 4.256,20 5.209,21 5.401,22 4.538,23 4.529,24 6.276,25 4.435,26 5.37,27 5.594,28 4.398,29 4.534,30 6.431,31 4.42,32 5.392,33 5.641,34 4.378,35 4.524,36 6.478,37 4.397,38 5.356,39 5.601,40 4.337,41 4.521,42 6.294,43 4.38,44 5.348,45 5.593,46 4.354,47 4.5,48 6.329,49 4.364,50 5.238,51 5.457,52 4.446,53 4.499,54 6.264,55 4.376,56 0.151,57 0.942,58 12.92,59 6.446,60 16.825,61 8.292,62 0.36,63 1.56,64 26.316,65 10.991,66 55.215,67 14.435,68 0.456,69 2.03,70 46.335,71 16.29,72 69.695,73 21.151,74 0.791,75 2.279,76 53.243,77 18.638,78 119.579,79 24.488,80 0.975,81 2.334,82 55.756,83 18.974,84 160.707,85 25.916,86 0.694,87 2.248,88 56.67,89 18.688,90 101.893,91 25.365,92 0.962,93 2.151,94 59.811,95 18.317,96 134.426,97 24.386,98 0.602,99 1.975,100 51.231,101 17.293,102 88.93,103 22.849,104 51,105 58,106 0.255,107 0.543,108 0.692,109 0.818,110 0.863,111 0.863,112 3.668,113 0.979,114 -6.36,115 -6.2,116 -5.75,119 42,121 3,122 1,124 1,125 4,127 1,132 12,133 3,134 3,144 1,151 2,155 15,157 2,158 8,162 3,163 20,166 11,170 2,173 18,175 2,176 14,179 1,181 2,183 11,185 5,186 11,191 1,193 9,196 7,200 1,203 10,205 1,206 11,211 1,214 15,218 9,223 1,224 15,226 1,227 11,229 1,231 2,234 17,238 3324,239 25.128,240 25.128,241 25.128,242 25.128,243 25.128,244 22.489,245 31.12,246 14.617,247 25.647,248 20.13,249 20.13,250 20.13,251 20.13,252 20.13,253 16.271,254 39.596,255 6.846,256 21.081,257 4.481,258 2.636,259 1.687,260 0.879,261 0.591,262 0.591,263 4.356,264 2,268 1092,269 4.637,272 607.194,277 1.92,278 49.758,280 0.5,281 0.67,282 0.5,283 0.6,284 0.5,285 0.67,286 1,287 0.63,288 82.167,289 514,290 4.529,291 3.846,292 7.471,293 4.408,294 3.441,295 4.169,296 2.612,297 13.186,298 3.322,299 4.482,300 3.8,301 6.691,302 4.105,303 3.121,304 3.898,305 1.2,306 10.684,307 3.07,308 4.268,309 3.627,310 6.228,311 3.907,312 2.943,313 3.818,314 0.8,315 9.336,316 2.854,317 3.914,318 3.344,319 5.874,320 3.537,321 2.626,322 3.257,323 0.765,324 7.918,325 2.409,326 3.742,327 2.988,328 5.758,329 3.407,330 2.467,331 3.021,332 0.293,333 7.481,334 2.279,335 3.547,336 2.753,337 5.354,338 3.305,339 2.373,340 2.815,342 6.92,343 2.13,344 3.355,345 2.385,346 4.992,347 3.005,348 2.024,349 2.642,351 5.471,352 1.97,353 3.321,354 2.152,355 4.868,356 2.821,357 1.851,358 2.392,360 5.05,361 1.786,362 2.877,363 2.093,364 4.351,365 2.518,366 1.532,367 1.979,369 3.981,370 1.486,371 2.82,372 2.059,373 4.034,374 2.332,375 1.414,376 1.945,378 3.508,379 1.311,380 2.668,381 1.478,382 3.818,383 2.302,384 1.351,385 1.719,387 3.166,388 1.21,389 2.622,390 1.355,391 3.802,392 2.211,393 1.219,394 1.62,396 2.808,397 1.189,398 2.578,399 1.285,400 3.664,401 2,402 1,403 1.582,405 2.372,406 1,407 2.5,408 1.268,409 3.466,410 2,411 1,412 1.5,414 2.305,415 1,416 2.168,417 1.077,418 3.41,419 1.984,420 1,421 1,423 2.136,424 0.983,425 18.462,426 0.486,427 1.083,428 0.028,429 46.25,430 1.217,431 22.5,432 0.592,433 23.75,434 0.625,435 40.244,436 1.059,437 41.538,438 0.602,439 40.225,440 1.059,441 8.975,442 0.236,443 9.2,444 0.242,445 0.177,446 0.027,447 0.282,450 0.531,451 1.235,452 0.616,453 0.951,454 0.573,455 0.935,456 0.651,457 1.068,458 0.694,459 0.898,460 0.472,461 0.921,462 0.821,463 1.179,464 0.814,465 1.071,466 0.688,467 1.063,468 1.001,469 1.094,470 0.858,471 1.031,472 1.046,473 1.064,474 0.739,475 0.969,476 0.728,477 0.894,478 0.74,479 0.942,480 0.83,481 1.059,482 0.932,483 1.025,484 0.744,485 1.047,486 1.038,487 0.859,488 1.012,489 0.889,490 1.076,491 0.941,492 0.778,493 1.035,494 0.995,495 1.062,496 0.736,497 1.035,498 8.5,499 0.413,500 5.778,501 2.688,502 2.218,503 1.611,504 0.891,505 0.674,506 0.632,507 0.527,508 22377,509 68951,510 2.016,511 44.9,513 23,516 1,518 3,519 4,520 1.792,521 1.861,522 3.69,523 -0.374,527 112.272,528 1.627,529 3.473,530 4.422,531 5.23,532 5.518,533 5.518,534 3.091,535 4.774,536 5.22,537 3.902,538 2743.2,539 9.219,540 46499,544 421.488,545 1.605,546 5.159,547 0.207,548 0.008,549 0.1,550 0.043,551 0.039,552 0.029,553 0.017,554 0.013,555 0.011,556 0.01,557 0.476,558 0.17,559 0.75,560 0.726,561 211.355,562 0.098,563 -0.036,564 0.02,565 0.023,566 -0.019,567 0.012,568 0.058,569 0.08,570 0.028,571 0.056,572 0.138,573 0.03,574 -0.017,575 -0.134,576 0.039,577 -0.091,578 0.036,579 -0.082,580 -0.045,581 -0.103,582 -0.052,583 -0.085,584 -0.05,585 -0.093,586 0.111,587 0.017,588 0.061,589 0.042,590 0.132,591 0.041,592 -0.045,593 -0.071,594 -0.035,595 -0.061,596 -0.028,597 -0.049,598 -0.082,599 0.108,600 -0.031,601 0.081,602 -0.121,603 0.05,604 0.024,605 -0.05,606 0.013,607 -0.054,608 0.001,609 -0.023,610 2.537,611 6.206,612 0.632,613 44.366,614 1.007,615 1.122,616 5.132,617 26.339,618 0.681,619 3.738,620 4.078,621 4.331,622 4.511,623 4.736,624 4.71,625 4.754,626 4.82,627 4.949,628 5.043,629 8.209,630 0.645,631 556.53,632 3.738,633 5.293,634 6.142,635 7.018,636 7.885,637 8.762,638 9.634,639 10.512,640 11.386,641 12.264,642 4.3,645 1,648 1,652 1,654 12,659 6,661 18,663 1,666 1,669 2,670 69,672 21,673 3,674 41,676 72,677 29,678 18,679 6,680 12,681 1,683 4,684 4,685 2,691 2,692 1,694 3,696 19,697 10,698 2,699 3,701 1,703 3,707 1,713 31,714 6,715 1,716 9,717 2,720 3,721 1,722 4,725 1,733 4,749 1,751 1,753 4,757 1,758 2,761 38,765 1,766 7,770 1,771 2,772 1,777 2,778 5.8,779 1,781 1,784 2,785 20.417,786 12.419,787 8.333,788 4.152,789 2.226,790 1.288,791 0.933,792 9.318,793 9.967,794 3.989,795 4.549,796 5.042,797 5.495,798 5.965,799 5.929,800 6.086,801 6.085,802 6.378,803 6.545,804 0.889,805 63,806 14.176,807 6.167,808 7.92,809 26.74,810 22.282,811 2.42,812 91.972,815 353.133,816 162.157,817 11.919,818 78.297,819 118.575,822 162.157,823 550.006,824 11.919,825 14.066,826 19.151,827 156.398,828 29.85,829 22.439,831 353.133,832 129.044,833 353.133,834 174.076,835 118.575,836 78.297,838 270.735,839 107.543,840 93.43,841 22.275,842 146.131,843 83.967,845 353.133,846 130.494,847 240.454,850 353.133,851 40.046,852 134.03,854 196.872,855 353.133,856 130.494,857 240.454,859 0.59,860 0.349,861 0.174,862 0.097,863 26,864 13,865 0.125,866 9,868 1,869 4.668,870 365.692,872 24,873 189.421,878 28.374,879 12.479,880 6.88,882 124.824,883 21.251,888 2.629,890 42.683,891 724.081,892 53,894 -0.537,896 36.126,900 -0.409,902 69.516,903 77.449,904 0.266,905 0.569,906 0.724,907 0.856,908 0.903,909 0.903,910 5.244,911 1.851,912 6.159,913 5.471,914 4.762,915 5.236,916 2.845,917 7.006,918 4.677,919 6.452,920 1.532,921 7.757,922 5.05,923 4.511,924 5.075,925 2.431,926 8.202,927 4.334,928 7.767,929 1.414,930 9.468,931 3.981,932 6.431,933 7.365,934 4.225,935 11.248,936 6.277,937 9.118,938 1.351,939 11.25,940 3.508,941 7.004,942 7.994,943 4.52,944 13.306,945 6.778,946 10.502,947 1.219,948 13.079,949 3.166,950 8.438,951 9.799,952 5.962,953 15.962,954 8.221,955 11.908,956 1,957 14.942,958 2.808,959 9.362,960 10.788,961 6.559,962 18.337,963 9.095,964 13.333,965 1,966 16.83,967 2.372,968 10.627,969 12.391,970 7.797,971 20.904,972 10.354,973 3.441,974 1,975 18.738,976 2.305,977 11.705,978 13.564,979 8.549,980 23.396,981 11.395,982 3.121,983 13.186,984 20.662,985 2.136,986 12.917,987 15.069,988 9.67,989 25.95,990 12.589,991 2.943,992 10.684,993 22.599,994 4.169,995 14.064,996 16.341,997 10.509,998 28.488,999 13.702,1000 2.626,1001 9.336,1002 24.547,1003 3.898,1004 15.263,1005 17.796,1006 11.563,1007 31.047,1008 14.877,1009 2.467,1010 7.918,1011 26.504,1012 3.818,1013 16.442,1014 19.124,1015 12.452,1016 33.603,1017 16.024,1018 2.373,1019 7.481,1020 28.468,1021 3.257,1022 17.642,1023 20.554,1024 13.468,1025 36.169,1026 17.195,1027 2.024,1028 6.92,1029 30.439,1030 3.021,1031 18.838,1032 21.914,1033 14.386,1034 38.735,1035 18.358,1036 21496,1037 38009,1038 26.641,1039 46.972,1040 62.144,1041 64.444,1042 64.125,1043 61.778,1044 61.417,1045 77.975,1046 11.34,1047 179.061,1048 58.587,1049 5.529,1050 5.846,1051 7.273,1052 5.443,1053 5.441,1054 7.169,1055 4.612,1056 20.477,1057 5.322,1058 22.223,1059 1.516,1060 1.572,1061 1.564,1062 1.507,1063 1.498,1064 1.902,1065 0.277,1066 4.367,1067 1.429,1068 4.044,1069 4.075,1070 4.125,1071 3.949,1072 7.815,1073 3.947,1074 3.975,1075 4.004,1076 3.98,1077 3.883,1078 7.427,1079 3.88,1080 3.93,1081 3.952,1082 3.903,1083 3.865,1084 6.999,1085 3.867,1086 3.747,1087 3.8,1088 3.679,1089 3.615,1090 6.447,1091 3.613,1092 3.623,1093 3.676,1094 3.578,1095 3.467,1096 5.04,1097 3.463,1098 3.482,1099 3.51,1100 3.455,1101 3.216,1102 4.734,1103 3.229,1104 3.408,1105 3.468,1106 3.399,1107 3.035,1108 4.671,1109 3.133,1110 3.139,1111 3.206,1112 3.324,1113 2.97,1114 4.491,1115 2.975,1116 0.11,1117 0.094,1118 0.182,1119 0.108,1120 0.084,1121 4.529,1122 0.102,1123 3.846,1124 0.064,1125 7.471,1126 0.322,1127 4.408,1128 0.081,1129 3.441,1130 4.169,1131 2.612,1132 13.186,1133 3.322,1134 1.965,1135 1.936,1136 2.101,1137 2.101,1138 1.434,1139 2.094,1140 1.943,1141 1.919,1142 2.045,1143 2.078,1144 1.338,1145 2.061,1146 1.914,1147 1.894,1148 2.006,1149 2.003,1150 1.101,1151 2.013,1152 1.735,1153 1.681,1154 1.912,1155 1.882,1156 1.049,1157 1.898,1158 1.582,1159 1.53,1160 1.768,1161 1.778,1162 0.96,1163 1.774,1164 1.382,1165 1.313,1166 1.659,1167 1.655,1168 0.84,1169 1.632,1170 1.195,1171 1.165,1172 1.513,1173 1.601,1174 0.825,1175 1.55,1176 1.153,1177 1.064,1178 1.392,1179 1.376,1180 0.589,1181 1.429,1182 4.419,1183 5.753,1185 7.284,1187 8.9,1189 10.558,1191 1.657,1192 12.474,1196 11.176,1197 4.647,1201 -0.073,1202 3.853,1203 -0.822,1206 44.48,1207 112.272,1208 239.636,1209 305.085,1210 360.859,1211 380.733,1212 380.733,1213 112.545,1214 7.741,1215 89.6,1216 89.6,1217 24,1218 12.802,1219 4.459,1220 3.7,1221 67.324,1222 178,1223 206,1224 0.17,1225 280.207,1226 497.66,1227 675.465,1228 24647,1229 2.9,1230 27.286,1231 0.718,1232 0.598,1233 28.286,1234 22.737,1235 18.175,1236 0.443,1237 0.326,1238 12.541,1239 17.028,1240 12.176,1241 10.028,1242 18.753,1243 13.374,1244 16.726,1245 0.288,1246 0.184,1247 17.467,1248 10.673,1249 14.068,1250 0.188,1251 0.108,1252 14.982,1253 8.114,1254 10.63,1255 0.118,1256 0.06,1257 11.016,1258 5.391,1259 8.843,1260 0.078,1261 0.035,1262 9.241,1263 4.003,1264 0.269,1265 119.651,1266 0.194,1267 34.497,1268 0.462,1269 198,1270 590.698,1271 244.361,1272 630.761,1273 817.82,1274 580,1275 232,1276 541.335,1277 275.361,1278 565.58,1279 820.63,1280 529,1281 8.5}
{0 CHEMBL184545,1 1.527,2 13.778,3 4.831,4 23.34,5 149.064,6 7.631,7 0.462,8 4.304,9 4.426,10 3.883,11 3.888,12 5.356,13 3.837,14 4.859,15 5.034,16 4.28,17 4.313,18 5.852,19 4.237,20 5.2,21 5.401,22 4.472,23 4.524,24 6.22,25 4.409,26 5.353,27 5.595,28 4.259,29 4.521,30 6.289,31 4.37,32 5.349,33 5.619,34 4.233,35 4.506,36 6.165,37 4.345,38 5.324,39 5.58,40 4.281,41 4.501,42 6.22,43 4.34,44 5.296,45 5.551,46 4.309,47 4.478,48 6.208,49 4.33,50 5.217,51 5.445,52 4.358,53 4.489,54 6.189,55 4.341,56 0.051,57 0.941,58 14.275,59 6.488,60 14.377,61 8.72,62 0.209,63 1.559,64 27.918,65 11.108,66 22.952,67 15.216,68 0.359,69 2.026,70 47.844,71 16.398,72 62.234,73 21.92,74 0.563,75 2.25,76 53.684,77 18.839,78 94.622,79 25.516,80 0.446,81 2.272,82 53.634,83 19.079,84 67.018,85 26.644,86 0.526,87 2.188,88 55.435,89 18.784,90 81.636,91 25.966,92 0.665,93 2.092,94 56.63,95 17.689,96 79.94,97 24.301,98 0.467,99 1.961,100 51.033,101 17.177,102 70.768,103 23.272,104 37,105 55,106 0.24,107 0.546,108 0.702,109 0.82,110 0.85,111 0.85,112 3.615,113 1.005,114 -5.8,115 -5.66,116 -5.27,119 42,121 3,122 1,124 1,125 4,127 1,132 12,133 3,134 3,144 1,148 1,149 1,150 1,155 15,157 1,158 6,162 5,163 20,164 2,166 7,170 4,173 18,174 2,176 9,179 1,181 3,183 11,184 1,185 1,186 7,191 1,193 10,196 6,197 2,198 2,200 1,203 12,205 1,206 7,211 1,214 16,218 4,223 2,224 14,225 1,227 6,229 1,231 4,234 16,236 2,238 2912,239 23.869,240 23.869,241 23.869,242 23.869,243 23.869,244 21.509,245 29.329,246 13.864,247 24.354,248 19.146,249 19.146,250 19.146,251 19.146,252 19.146,253 15.706,254 36.008,255 6.54,256 20.06,257 4.581,258 2.636,259 1.646,260 0.895,261 0.707,262 0.707,263 4.305,264 2,268 1061,269 4.301,272 578.843,277 1.901,278 35.398,280 0.5,281 0.67,282 0.83,283 0.9,284 1,285 0.83,286 1,287 0.82,288 76.167,289 496,290 4.529,291 3.8,292 7.471,293 4.408,294 3.441,295 3.899,296 1.2,297 13.186,298 3.322,299 4.286,300 3.683,301 6.365,302 3.985,303 3.008,304 3.818,305 0.8,306 9.602,307 2.944,308 4.229,309 3.344,310 6.186,311 3.852,312 2.881,313 3.783,314 0.765,315 9.109,316 2.812,317 3.807,318 2.989,319 5.804,320 3.483,321 2.576,322 3.117,323 0.293,324 7.758,325 2.321,326 3.692,327 2.753,328 5.354,329 3.358,330 2.418,331 2.999,333 6.924,334 2.277,335 3.547,336 2.537,337 5.189,338 3.295,339 2.342,340 2.815,342 6.324,343 2.137,344 3.321,345 2.165,346 4.992,347 3.006,348 2.024,349 2.393,351 5.471,352 1.971,353 3.129,354 2.107,355 4.866,356 2.823,357 1.87,358 2.266,360 5.376,361 1.761,362 2.821,363 2.092,364 4.343,365 2.406,366 1.429,367 1.95,369 3.976,370 1.367,371 2.699,372 1.83,373 4.032,374 2.304,375 1.414,376 1.74,378 3.504,379 1.216,380 2.625,381 1.478,382 3.802,383 2.218,384 1.224,385 1.649,387 2.811,388 1.192,389 2.5,390 1.284,391 3.666,392 2,393 1,394 1.5,396 2.372,397 1,398 2.5,399 1.077,400 3.509,401 2,402 1,403 1.5,405 2.275,406 1,407 2.192,408 1,409 3.414,410 1.984,411 1,412 1.018,414 2.136,415 0.983,416 2,417 1,418 3.247,419 1.844,420 0.825,421 1,423 2.009,424 0.83,425 17.795,426 0.494,427 1.01,428 0.028,429 42.25,430 1.174,431 20,432 0.556,433 22.25,434 0.618,435 38.778,436 1.077,437 39.205,438 0.568,439 34.522,440 0.959,441 8.155,442 0.227,443 9.092,444 0.253,445 0.168,446 0.028,447 0.27,450 0.765,451 1.237,452 0.663,453 0.945,454 0.77,455 0.932,456 0.794,457 1.068,458 0.716,459 0.895,460 0.599,461 0.921,462 0.995,463 1.17,464 0.858,465 1.077,466 0.921,467 1.086,468 1.154,469 1.076,470 0.88,471 1.013,472 1.311,473 1.063,474 0.765,475 0.975,476 0.718,477 0.907,478 0.765,479 0.937,480 0.819,481 1.045,482 0.9,483 1.02,484 0.8,485 1.02,486 1.062,487 0.876,488 0.989,489 0.899,490 1.086,491 0.919,492 0.875,493 1.032,494 1.051,495 1.088,496 0.898,497 1.08,498 8.5,499 0.301,500 5.556,501 2.188,502 1.898,503 1.431,504 0.931,505 0.573,506 0.574,507 0.497,508 19955,509 54057,510 2.033,511 47.8,513 23,516 3,518 3,519 4,520 1.778,521 1.886,522 3.71,523 0.745,527 105.387,528 1.527,529 3.473,530 4.463,531 5.213,532 5.402,533 5.402,534 3.174,535 4.725,536 5.14,537 3.895,538 2453.81,539 9.056,540 40243.5,544 421.488,545 1.574,546 5.086,547 0.218,548 0.007,549 0.101,550 0.038,551 0.039,552 0.029,553 0.019,554 0.011,555 0.011,556 0.01,557 0.484,558 0.17,559 0.75,560 0.574,561 197.579,562 -0.058,563 -0.037,564 0.01,565 0.031,566 -0.094,567 0.036,568 -0.008,569 0.08,570 0.028,571 0.058,572 0.046,573 0.038,574 -0.027,575 -0.126,576 0.009,577 -0.103,578 0.033,579 -0.113,580 -0.094,581 -0.097,582 -0.077,583 -0.068,584 -0.11,585 -0.1,586 0.006,588 0.054,589 0.036,590 -0.004,591 0.044,592 0.045,593 -0.071,594 -0.004,595 -0.053,596 0.033,597 -0.034,598 -0.027,599 0.106,600 -0.005,601 0.067,602 -0.065,603 0.054,604 0.025,605 -0.037,606 -0.035,607 -0.087,608 -0.018,609 -0.083,610 2.021,611 6.056,612 0.667,613 42.432,614 0.996,615 1.122,616 4.565,617 20.842,618 0.679,619 3.689,620 4.025,621 4.263,622 4.419,623 4.663,624 4.663,625 4.71,626 4.745,627 4.868,628 4.977,629 8.092,630 0.632,631 526.55,632 3.689,633 5.242,634 6.084,635 6.954,636 7.813,637 8.684,638 9.549,639 10.421,640 11.289,641 12.161,642 4.3,645 1,646 1,648 1,654 12,659 6,661 18,663 1,665 1,669 2,670 69,672 19,673 3,674 39,676 72,677 29,678 18,679 6,680 12,681 1,683 4,684 4,685 2,691 2,692 1,694 3,696 19,697 10,698 2,699 1,703 1,707 1,713 33,714 5,715 3,716 7,717 2,720 3,721 1,722 2,725 1,733 4,749 1,751 1,753 4,757 1,758 2,761 36,762 1,765 1,766 7,770 1,771 2,772 1,777 2,778 2.9,779 1,781 1,785 19.083,786 12.219,787 7.861,788 4.112,789 1.996,790 1.262,791 0.947,792 8.836,793 9.618,794 3.912,795 4.46,796 4.951,797 5.37,798 5.853,799 5.835,800 5.929,801 5.927,802 6.139,803 6.405,804 1,805 58,806 13.389,807 5.734,808 7.721,809 25.777,810 21.582,811 2.221,812 79.972,815 353.133,816 162.157,817 39.146,818 78.297,819 67.828,822 162.157,823 499.259,824 39.146,825 8.396,826 19.151,827 189.296,828 29.85,829 22.439,831 353.133,832 78.297,833 353.133,834 201.303,835 67.828,836 78.297,838 270.735,839 107.543,840 42.683,841 22.275,842 179.028,843 78.297,845 353.133,846 106.974,847 240.454,850 353.133,851 40.046,852 128.36,854 179.023,855 353.133,856 106.974,857 240.454,859 0.591,860 0.344,861 0.164,862 0.094,863 25,864 12,865 0.111,866 8,868 1,869 4.594,870 336.156,872 24,873 174.117,878 26.806,879 11.867,880 6.755,882 106.974,883 22.629,888 4.305,890 75.581,891 700.562,892 49,896 13.056,900 -0.05,902 68.745,903 77.445,904 0.25,905 0.569,906 0.731,907 0.853,908 0.884,909 0.884,910 5.168,911 1.87,912 6.098,913 5.471,914 4.71,915 5.147,916 1.793,917 6.927,918 4.624,919 6.366,920 1.429,921 7.685,922 5.376,923 4.443,924 4.913,925 0.57,926 8.102,927 4.26,928 7.672,929 1.414,930 9.384,931 3.976,932 6.368,933 7.24,934 1.737,935 11.127,936 6.214,937 9.012,938 1.224,939 11.153,940 3.504,941 6.919,942 7.768,943 0.801,944 13.185,945 6.688,946 10.383,947 1,948 12.972,949 2.811,950 8.355,951 9.614,952 1.851,953 15.835,954 8.138,955 11.777,956 1,957 14.827,958 2.372,959 9.262,960 10.495,961 1.074,962 18.224,963 8.989,964 13.188,965 1,966 16.71,967 2.275,968 10.529,969 12.126,970 2.046,971 20.797,972 10.251,973 3.441,974 0.825,975 18.616,976 2.136,977 11.597,978 13.195,979 1.404,980 23.304,981 11.277,982 3.008,983 13.186,984 20.54,985 2.009,986 12.81,987 14.712,988 2.289,989 25.868,990 12.472,991 2.881,992 9.602,993 22.478,994 3.899,995 13.953,996 15.889,997 1.768,998 28.418,999 13.578,1000 2.576,1001 9.109,1002 24.429,1003 3.818,1004 15.154,1005 17.339,1006 2.562,1007 30.987,1008 14.753,1009 2.418,1010 7.758,1011 26.391,1012 3.783,1013 16.334,1014 18.582,1015 2.15,1016 33.553,1017 15.897,1018 2.342,1019 6.924,1020 28.36,1021 3.117,1022 17.537,1023 19.991,1024 2.856,1025 36.126,1026 17.07,1027 2.024,1028 6.324,1029 30.337,1030 2.999,1031 18.736,1032 21.274,1033 2.538,1034 38.7,1035 18.233,1036 19065,1037 31562,1038 25.542,1039 46.824,1040 58.936,1041 59.996,1042 60.529,1043 58.489,1044 58.137,1045 72.252,1046 6.115,1047 168.541,1048 55.377,1049 5.529,1050 5.8,1051 7.273,1052 5.443,1053 5.441,1054 6.899,1055 2.293,1056 20.477,1057 5.322,1058 19.97,1059 1.511,1060 1.538,1061 1.552,1062 1.5,1063 1.491,1064 1.853,1065 0.157,1066 4.322,1067 1.42,1068 4.025,1069 4.061,1070 4.124,1071 3.946,1072 7.428,1073 3.941,1074 3.946,1075 3.975,1076 3.919,1077 3.883,1078 6.447,1079 3.876,1080 3.908,1081 3.932,1082 3.876,1083 3.847,1084 5.11,1085 3.845,1086 3.747,1087 3.8,1088 3.673,1089 3.615,1090 5.039,1091 3.612,1092 3.612,1093 3.669,1094 3.565,1095 3.468,1096 4.733,1097 3.463,1098 3.422,1099 3.485,1100 3.401,1101 3.223,1102 4.491,1103 3.238,1104 3.157,1105 3.213,1106 3.354,1107 2.982,1108 4.468,1109 2.987,1110 3.111,1111 3.206,1112 3.17,1113 2.941,1114 4.348,1115 2.91,1116 0.116,1117 0.097,1118 0.192,1119 0.113,1120 0.088,1121 4.529,1122 0.1,1123 3.8,1124 0.031,1125 7.471,1126 0.338,1127 4.408,1128 0.085,1129 3.441,1130 3.899,1131 1.2,1132 13.186,1133 3.322,1134 1.964,1135 1.935,1136 2.1,1137 2.084,1138 1.434,1139 2.092,1140 1.937,1141 1.914,1142 2.044,1143 2.034,1144 1.338,1145 2.04,1146 1.899,1147 1.876,1148 2,1149 1.981,1150 1.082,1151 1.993,1152 1.734,1153 1.681,1154 1.912,1155 1.882,1156 1.049,1157 1.898,1158 1.582,1159 1.53,1160 1.767,1161 1.763,1162 0.96,1163 1.772,1164 1.385,1165 1.317,1166 1.659,1167 1.612,1168 0.839,1169 1.632,1170 1.153,1171 1.064,1172 1.513,1173 1.376,1174 0.825,1175 1.429,1176 1.104,1177 1.051,1178 1.392,1179 1.345,1180 0.589,1181 1.348,1182 4.369,1183 5.7,1185 7.226,1187 8.832,1189 10.478,1191 1.823,1192 12.515,1195 5.778,1196 11.172,1197 5.289,1201 0.081,1202 4.146,1203 -0.771,1206 43.578,1207 105.387,1208 239.636,1209 307.939,1210 359.714,1211 372.733,1212 372.733,1213 88.198,1214 7.622,1215 69.8,1216 69.8,1217 24,1218 12.704,1219 4.322,1220 3.459,1221 61.942,1222 166,1223 186,1224 0.168,1225 275.142,1226 482.72,1227 663.106,1228 21067,1229 2.9,1230 25.709,1231 0.714,1232 0.613,1233 26.709,1234 22.05,1235 17.248,1236 0.442,1237 0.335,1238 12.269,1239 16.31,1240 11.874,1241 9.796,1242 17.825,1243 13.068,1244 15.89,1245 0.289,1246 0.191,1247 16.631,1248 10.52,1249 13.465,1250 0.192,1251 0.113,1252 14.38,1253 7.941,1254 9.815,1255 0.12,1256 0.064,1257 10.201,1258 5.218,1259 8.223,1260 0.078,1261 0.037,1262 8.62,1263 3.916,1264 0.266,1265 112.476,1266 0.198,1267 33.166,1268 0.453,1269 188,1270 476.894,1271 229.211,1272 531.369,1273 698.74,1274 492,1275 219,1276 457.815,1277 257.208,1278 490.686,1279 713.03,1280 460,1281 9.1}
{0 CHEMBL185396,1 1.622,2 14.868,3 6.337,4 40.16,5 159.412,6 8.241,7 0.439,8 4.305,9 4.415,10 3.955,11 3.925,12 5.389,13 3.87,14 4.855,15 5.023,16 4.333,17 4.328,18 5.872,19 4.256,20 5.196,21 5.392,22 4.521,23 4.547,24 6.224,25 4.435,26 5.347,27 5.579,28 4.356,29 4.563,30 6.314,31 4.414,32 5.356,33 5.616,34 4.326,35 4.56,36 6.21,37 4.392,38 5.335,39 5.587,40 4.334,41 4.535,42 6.23,43 4.37,44 5.29,45 5.54,46 4.371,47 4.499,48 6.222,49 4.354,50 5.222,51 5.443,52 4.46,53 4.514,54 6.245,55 4.375,56 0.023,57 0.914,58 12.472,59 6.3,60 14.435,61 8.202,62 0.205,63 1.558,64 25.789,65 10.582,66 24.914,67 14.196,68 0.344,69 2.042,70 45.609,71 16.336,72 61.568,73 21.182,74 0.551,75 2.325,76 52.916,77 19.48,78 99.043,79 25.119,80 0.444,81 2.404,82 56.569,83 20.611,84 75.893,85 27.187,86 0.532,87 2.301,88 58.407,89 20.155,90 83.361,91 26.55,92 0.616,93 2.163,94 56.645,95 18.47,96 81.06,97 24.433,98 0.497,99 2.032,100 51.608,101 17.402,102 81.32,103 22.775,104 39,105 57,106 0.254,107 0.548,108 0.703,109 0.82,110 0.85,111 0.85,112 3.668,113 1.013,114 -7.42,115 -7.2,116 -6.65,119 43.5,121 3,122 1,124 1,125 4,127 1,132 12,133 3,134 3,144 2,155 15,157 1,158 8,162 3,163 20,166 9,170 2,173 18,176 10,179 1,181 2,183 11,185 1,186 7,191 1,193 10,195 2,196 6,200 1,203 12,205 1,206 7,211 1,214 16,218 5,223 1,224 14,227 8,229 1,231 2,234 16,238 3476,239 25.446,240 25.446,241 25.446,242 25.446,243 25.446,244 22.663,245 31.997,246 14.967,247 26.079,248 20.111,249 20.111,250 20.111,251 20.111,252 20.111,253 16.242,254 40.52,255 6.974,256 21.217,257 4.486,258 2.607,259 1.617,260 0.866,261 0.678,262 0.678,263 4.358,264 2,268 1203,269 4.528,272 619.341,277 2.237,278 36.055,280 0.5,281 0.67,282 0.5,283 0.6,284 0.5,285 0.67,286 1,287 0.63,288 80.167,289 565,290 4.529,291 3.8,292 7.471,293 4.408,294 3.441,295 3.899,296 1.697,297 13.186,298 3.322,299 4.288,300 3.683,301 6.366,302 3.986,303 3.009,304 3.818,305 1.2,306 9.604,307 2.946,308 4.236,309 3.344,310 6.187,311 3.854,312 2.884,313 3.814,314 0.8,315 9.112,316 2.814,317 3.876,318 3.325,319 5.804,320 3.497,321 2.585,322 3.255,323 0.765,324 7.76,325 2.383,326 3.75,327 2.989,328 5.368,329 3.411,330 2.461,331 3.02,332 0.293,333 6.979,334 2.281,335 3.547,336 2.753,337 5.354,338 3.317,339 2.388,340 2.815,342 6.919,343 2.146,344 3.321,345 2.572,346 4.996,347 3.006,348 2.024,349 2.439,351 5.614,352 1.972,353 3.258,354 2.169,355 4.991,356 2.868,357 1.922,358 2.391,360 5.47,361 1.796,362 2.942,363 2.115,364 4.349,365 2.415,366 1.44,367 1.988,369 3.997,370 1.374,371 2.821,372 2.092,373 4.033,374 2.304,375 1.414,376 1.948,378 3.504,379 1.217,380 2.691,381 1.876,382 3.802,383 2.219,384 1.227,385 1.73,387 2.811,388 1.193,389 2.622,390 1.478,391 3.667,392 2.01,393 1.122,394 1.637,396 2.372,397 1,398 2.5,399 1.284,400 3.553,401 2,402 1,403 1.5,405 2.275,406 1,407 2.5,408 1.077,409 3.414,410 2,411 1,412 1.5,414 2.21,415 0.983,416 2.19,417 1,418 3.247,419 1.984,420 1,421 1.003,423 2.136,424 0.982,425 19.129,426 0.503,427 0.972,428 0.026,429 46,430 1.211,431 22.5,432 0.592,433 23.5,434 0.618,435 40.789,436 1.073,437 40.271,438 0.584,439 37.652,440 0.991,441 8.881,442 0.234,443 9.405,444 0.247,445 0.179,446 0.026,447 0.251,450 0.71,451 1.224,452 0.593,453 0.87,454 0.652,455 0.898,456 0.801,457 1.044,458 0.643,459 0.814,460 0.583,461 0.888,462 0.998,463 1.083,464 0.758,465 0.937,466 0.888,467 1.031,468 1.167,469 1.022,470 0.806,471 0.913,472 1.306,473 1.039,474 0.776,475 0.96,476 0.731,477 0.89,478 0.8,479 0.95,480 0.822,481 1.004,482 0.866,483 0.962,484 0.835,485 1.007,486 0.988,487 0.865,488 0.864,489 0.822,490 0.97,491 0.897,492 0.894,493 0.995,494 0.932,495 0.993,496 0.858,497 1.028,498 8.5,499 0.301,500 5.556,501 2.188,502 1.938,503 1.521,504 1.012,505 0.635,506 0.599,507 0.497,508 23301,509 70653,510 2.031,511 44.9,513 23,516 1,518 3,519 4,520 1.79,521 1.892,522 3.808,523 -0.4,527 111.946,528 1.622,529 3.502,530 4.492,531 5.242,532 5.431,533 5.431,534 3.34,535 4.682,536 5.215,537 4.003,538 2813.95,539 9.207,540 48366.4,544 421.488,545 1.538,546 5.168,547 0.207,548 0.006,549 0.097,550 0.036,551 0.037,552 0.029,553 0.02,554 0.012,555 0.011,556 0.01,557 0.465,558 0.17,559 0.75,560 0.835,561 212.789,562 -0.032,563 -0.128,564 0.011,565 -0.015,566 -0.031,567 0.005,568 -0.003,569 0.043,570 0.024,571 0.024,572 0.058,573 0.021,574 -0.03,575 -0.091,576 0.021,577 -0.063,578 0.043,579 -0.086,580 -0.102,581 -0.062,582 -0.05,583 -0.023,584 -0.105,585 -0.08,586 0.001,587 0.009,588 0.047,589 0.04,590 -0.009,591 0.043,592 0.044,593 -0.049,594 -0.001,595 -0.033,596 0.007,597 -0.014,598 0.01,599 0.092,600 0.035,601 0.077,602 -0.009,603 0.082,604 0.052,605 -0.031,606 0.01,607 -0.067,608 0.054,609 -0.048,610 2.03,611 6.188,612 0.632,613 49.18,614 0.999,615 1.115,616 6.191,617 38.333,618 0.706,619 3.738,620 4.06,621 4.304,622 4.466,623 4.7,624 4.718,625 4.796,626 4.828,627 4.913,628 5.017,629 8.607,630 0.656,631 568.61,632 3.738,633 5.283,634 6.125,635 6.991,636 7.85,637 8.719,638 9.584,639 10.455,640 11.322,641 12.195,642 4.3,645 1,648 1,650 1,654 12,659 6,661 18,663 1,664 1,669 2,670 69,672 21,673 3,674 41,676 72,677 30,678 18,679 6,680 12,681 1,683 4,684 4,685 2,691 2,692 1,694 3,695 1,696 19,697 10,698 2,699 3,700 1,703 1,704 1,706 1,707 1,713 31,714 5,715 1,716 8,717 3,720 3,721 1,722 2,725 1,733 4,749 1,751 1,753 4,755 1,757 1,758 2,761 38,765 1,766 7,770 1,771 2,772 1,777 2,778 2.9,779 1,781 1,785 20.083,786 12.502,787 8.444,788 4.17,789 2.243,790 1.29,791 0.941,792 9.861,793 9.984,794 3.989,795 4.527,796 5.019,797 5.463,798 5.94,799 5.998,800 6.242,801 6.298,802 6.275,803 6.491,804 1,805 61,806 14.092,807 5.978,808 7.74,809 27.009,810 22.337,811 2.24,812 85.139,815 353.133,816 221.295,817 23.034,818 78.297,819 67.828,821 45.192,822 176.103,823 499.259,824 23.034,825 8.396,826 19.151,827 156.398,828 43.795,829 39.225,831 353.133,832 123.489,833 353.133,834 199.137,835 67.828,836 123.489,838 270.735,839 107.543,840 42.683,841 39.061,842 160.076,843 78.297,844 45.192,845 353.133,846 90.862,847 299.592,850 353.133,851 40.046,852 128.36,853 13.946,854 208.103,855 353.133,856 90.862,857 299.592,859 0.582,860 0.343,861 0.168,862 0.093,863 25,864 12,865 0.125,866 9,868 1,869 4.771,870 358.698,872 24,873 187.421,875 1,878 28.602,879 13.101,880 7.383,882 90.862,883 22.621,888 4.282,890 42.683,891 743.588,892 53,893 2.337,896 13.188,897 4.651,899 3.947,900 -0.071,902 68.938,903 76.95,904 0.266,905 0.573,906 0.735,907 0.858,908 0.889,909 0.889,910 5.234,911 1.922,912 6.129,913 5.614,914 4.745,915 5.215,916 2.466,917 6.954,918 4.652,919 6.428,920 1.44,921 7.711,922 5.47,923 4.443,924 4.913,925 0.57,926 8.118,927 4.26,928 7.728,929 1.414,930 9.406,931 3.997,932 6.395,933 7.307,934 3.103,935 11.146,936 6.234,937 9.063,938 1.227,939 11.174,940 3.504,941 6.929,942 7.787,943 0.801,944 13.197,945 6.697,946 10.431,947 1.122,948 12.99,949 2.811,950 8.375,951 9.674,952 3.992,953 15.844,954 8.153,955 11.821,956 1,957 14.843,958 2.372,959 9.274,960 10.527,961 1.074,962 18.229,963 9,964 13.229,965 1,966 16.724,967 2.275,968 10.543,969 12.18,970 4.979,971 20.8,972 10.262,973 3.441,974 1,975 18.628,976 2.21,977 11.608,978 13.235,979 1.404,980 23.306,981 11.286,982 3.009,983 13.186,984 20.549,985 2.136,986 12.82,987 14.761,988 6.007,989 25.869,990 12.48,991 2.884,992 9.604,993 22.486,994 3.899,995 13.961,996 15.933,997 1.768,998 28.419,999 13.585,1000 2.585,1001 9.112,1002 24.436,1003 3.818,1004 15.161,1005 17.386,1006 7.051,1007 30.987,1008 14.759,1009 2.461,1010 7.76,1011 26.396,1012 3.814,1013 16.339,1014 18.627,1015 2.15,1016 33.554,1017 15.902,1018 2.388,1019 6.979,1020 28.364,1021 3.255,1022 17.542,1023 20.038,1024 8.103,1025 36.127,1026 17.074,1027 2.024,1028 6.919,1029 30.34,1030 3.02,1031 18.74,1032 21.321,1033 2.538,1034 38.7,1035 18.237,1036 22372,1037 39204,1038 26.929,1039 48.711,1040 61.723,1041 64.408,1042 63.274,1043 61,1044 60.629,1045 76.871,1046 9.509,1047 174.087,1048 57.435,1049 5.529,1050 5.8,1051 7.273,1052 5.443,1053 5.441,1054 6.899,1055 3.394,1056 20.477,1057 5.322,1058 20.807,1059 1.505,1060 1.571,1061 1.543,1062 1.488,1063 1.479,1064 1.875,1065 0.232,1066 4.246,1067 1.401,1068 4.025,1069 4.061,1070 4.124,1071 3.947,1072 7.428,1073 3.942,1074 3.947,1075 3.975,1076 3.964,1077 3.883,1078 6.447,1079 3.877,1080 3.911,1081 3.933,1082 3.903,1083 3.856,1084 5.187,1085 3.852,1086 3.747,1087 3.8,1088 3.767,1089 3.615,1090 5.04,1091 3.613,1092 3.616,1093 3.67,1094 3.664,1095 3.473,1096 4.733,1097 3.468,1098 3.433,1099 3.488,1100 3.553,1101 3.315,1102 4.643,1103 3.278,1104 3.245,1105 3.278,1106 3.4,1107 3.168,1108 4.491,1109 3.117,1110 3.119,1111 3.206,1112 3.328,1113 2.963,1114 4.353,1115 2.955,1116 0.11,1117 0.093,1118 0.182,1119 0.108,1120 0.084,1121 4.529,1122 0.095,1123 3.8,1124 0.041,1125 7.471,1126 0.322,1127 4.408,1128 0.081,1129 3.441,1130 3.899,1131 1.697,1132 13.186,1133 3.322,1134 1.964,1135 1.935,1136 2.1,1137 2.084,1138 1.434,1139 2.092,1140 1.937,1141 1.914,1142 2.043,1143 2.032,1144 1.338,1145 2.038,1146 1.901,1147 1.88,1148 1.993,1149 1.977,1150 1.086,1151 1.988,1152 1.734,1153 1.681,1154 1.912,1155 1.882,1156 1.049,1157 1.898,1158 1.583,1159 1.532,1160 1.766,1161 1.76,1162 0.96,1163 1.77,1164 1.39,1165 1.331,1166 1.658,1167 1.61,1168 0.839,1169 1.631,1170 1.169,1171 1.144,1172 1.513,1173 1.376,1174 0.825,1175 1.429,1176 1.153,1177 1.064,1178 1.392,1179 1.332,1180 0.589,1181 1.347,1182 4.419,1183 5.74,1185 7.259,1187 8.861,1189 10.505,1191 1.816,1192 12.546,1196 11.195,1197 5.212,1201 0.062,1202 4.133,1203 -0.78,1206 45.238,1207 111.946,1208 241.636,1209 309.939,1210 361.714,1211 374.733,1212 374.733,1213 94.35,1214 7.741,1215 56.14,1216 88.23,1217 24,1218 12.737,1219 4.459,1220 3.7,1221 67.419,1222 185,1223 238,1224 0.163,1225 290.01,1226 513.25,1227 699.385,1228 24774,1229 2.9,1230 27.123,1231 0.714,1232 0.622,1233 28.623,1234 23.645,1235 18.286,1236 0.446,1237 0.338,1238 12.662,1239 17.017,1240 12.224,1241 10.084,1242 19.217,1243 13.839,1244 16.439,1245 0.288,1246 0.19,1247 17.431,1248 10.831,1249 13.993,1250 0.192,1251 0.112,1252 15.052,1253 8.163,1254 10.414,1255 0.121,1256 0.063,1257 11.005,1258 5.429,1259 8.553,1260 0.078,1261 0.037,1262 9.095,1263 4.021,1264 0.26,1265 122.405,1266 0.193,1267 34.78,1268 0.437,1269 196,1270 530.088,1271 247.932,1272 606.03,1273 789.79,1274 560,1275 228,1276 505.158,1277 271.885,1278 547.687,1279 789.65,1280 512,1281 8}
{0 CHEMBL185568,1 1.627,2 14.447,3 5.472,4 29.945,5 151.688,6 8.066,7 0.439,8 4.316,9 4.426,10 3.941,11 3.89,12 5.432,13 3.852,14 4.872,15 5.034,16 4.337,17 4.316,18 6.011,19 4.256,20 5.209,21 5.401,22 4.528,23 4.527,24 6.289,25 4.431,26 5.367,27 5.595,28 4.333,29 4.525,30 6.402,31 4.399,32 5.359,33 5.619,34 4.274,35 4.509,36 6.247,37 4.363,38 5.328,39 5.58,40 4.315,41 4.503,42 6.224,43 4.352,44 5.305,45 5.551,46 4.39,47 4.48,48 6.393,49 4.347,50 5.225,51 5.445,52 4.42,53 4.493,54 6.247,55 4.364,56 0.151,57 0.942,58 12.92,59 6.446,60 16.814,61 8.292,62 0.36,63 1.56,64 26.316,65 10.991,66 55.09,67 14.435,68 0.461,69 2.027,70 46.311,71 16.295,72 70.953,73 21.145,74 0.788,75 2.251,76 53.692,77 18.698,78 129.781,79 24.54,80 0.666,81 2.273,82 54.314,83 18.997,84 103.465,85 26.087,86 0.659,87 2.188,88 55.655,89 18.784,90 89.18,91 25.819,92 1.044,93 2.093,94 57.077,95 17.695,96 145.822,97 24.197,98 0.576,99 1.961,100 50.352,101 17.093,102 80.918,103 22.68,104 51,105 58,106 0.255,107 0.543,108 0.698,109 0.816,110 0.845,111 0.845,112 3.668,113 0.978,114 -6.36,115 -6.2,116 -5.75,119 42,121 3,122 1,124 1,125 4,127 1,132 12,133 3,134 3,144 1,151 2,155 15,157 2,158 8,162 3,163 20,166 13,170 2,173 18,176 14,179 1,181 2,183 11,185 1,186 9,191 1,193 10,195 2,196 6,200 1,203 12,205 5,206 7,211 1,214 16,218 5,223 1,224 14,227 10,229 1,231 2,234 16,238 3444,239 25.076,240 25.076,241 25.076,242 25.076,243 25.076,244 22.464,245 31.12,246 14.499,247 25.598,248 20.114,249 20.114,250 20.114,251 20.114,252 20.114,253 16.276,254 38.651,255 6.799,256 21.069,257 4.481,258 2.636,259 1.646,260 0.895,261 0.707,262 0.707,263 4.356,264 2,268 1168,269 4.637,272 618.982,277 2.126,278 47.562,280 0.5,281 0.67,282 0.5,283 0.6,284 0.5,285 0.67,286 1,287 0.63,288 82.167,289 549,290 4.529,291 3.8,292 7.471,293 4.408,294 3.441,295 3.986,296 2.612,297 13.186,298 3.322,299 4.322,300 3.78,301 6.368,302 3.991,303 3.013,304 3.899,305 1.2,306 9.609,307 2.951,308 4.265,309 3.68,310 6.188,311 3.866,312 2.896,313 3.818,314 0.8,315 9.122,316 2.823,317 4.098,318 3.344,319 5.908,320 3.647,321 2.69,322 3.544,323 0.765,324 8.117,325 2.582,326 3.77,327 2.988,328 5.802,329 3.463,330 2.551,331 3.03,332 0.293,333 7.746,334 2.283,335 3.548,336 2.752,337 5.354,338 3.325,339 2.4,340 2.815,342 6.923,343 2.158,344 3.356,345 2.33,346 5.055,347 3.006,348 2.025,349 2.593,351 5.732,352 1.974,353 3.321,354 2.153,355 4.991,356 2.942,357 1.99,358 2.392,360 5.471,361 1.871,362 2.906,363 2.093,364 4.358,365 2.445,366 1.463,367 1.983,369 4.029,370 1.406,371 2.82,372 2.071,373 4.034,374 2.305,375 1.414,376 1.946,378 3.507,379 1.25,380 2.677,381 1.683,382 3.842,383 2.254,384 1.262,385 1.723,387 2.985,388 1.205,389 2.613,390 1.478,391 3.802,392 2.2,393 1.211,394 1.621,396 2.807,397 1.183,398 2.5,399 1.284,400 3.665,401 2,402 1,403 1.5,405 2.372,406 1,407 2.5,408 1.077,409 3.437,410 2,411 1,412 1.5,414 2.275,415 1,416 2.177,417 1,418 3.414,419 1.984,420 1,421 1,423 2.136,424 0.983,425 18.462,426 0.486,427 1.099,428 0.029,429 46.25,430 1.217,431 22.5,432 0.592,433 23.75,434 0.625,435 39.905,436 1.05,437 41.538,438 0.602,439 39.476,440 1.039,441 8.959,442 0.236,443 9.199,444 0.242,445 0.177,446 0.027,447 0.282,450 0.531,451 1.235,452 0.616,453 0.951,454 0.574,455 0.935,456 0.651,457 1.068,458 0.694,459 0.898,460 0.469,461 0.921,462 0.828,463 1.17,464 0.828,465 1.08,466 0.675,467 1.079,468 1.055,469 1.076,470 0.891,471 1.017,472 1.08,473 1.077,474 0.726,475 0.974,476 0.739,477 0.914,478 0.71,479 0.964,480 0.64,481 1.044,482 0.882,483 1.028,484 0.581,485 1.034,486 0.695,487 0.875,488 0.944,489 0.908,490 0.629,491 0.931,492 0.737,493 1.032,494 1.02,495 1.092,496 0.643,497 1.074,498 9,499 0.351,500 6,501 2.438,502 1.978,503 1.556,504 1.013,505 0.667,506 0.574,507 0.517,508 23145,509 72623,510 2.016,511 44.9,513 23,516 1,518 3,519 4,520 1.79,521 1.861,522 3.773,523 -0.374,527 112.272,528 1.627,529 3.473,530 4.463,531 5.213,532 5.402,533 5.402,534 3.247,535 4.629,536 5.217,537 3.983,538 2800.39,539 9.209,540 48051.5,544 421.488,545 1.605,546 5.159,547 0.22,548 0.007,549 0.103,550 0.039,551 0.037,552 0.031,553 0.02,554 0.012,555 0.011,556 0.01,557 0.49,558 0.17,559 0.75,560 0.726,561 212.566,562 0.098,563 -0.036,564 0.02,565 0.023,566 -0.02,567 0.012,568 0.058,569 0.08,570 0.028,571 0.056,572 0.14,573 0.03,574 -0.024,575 -0.126,576 0.025,577 -0.1,578 0.05,579 -0.098,580 -0.106,581 -0.097,582 -0.082,583 -0.067,584 -0.082,585 -0.1,586 -0.01,588 0.047,589 0.036,590 -0.019,591 0.042,592 0.053,593 -0.071,594 0.019,595 -0.05,596 0.015,597 -0.016,598 0.16,599 0.106,600 0.04,601 0.067,602 0.148,603 0.069,604 0.025,605 -0.038,606 -0.012,607 -0.083,608 0.024,609 -0.06,610 2.487,611 6.097,612 0.632,613 48.205,614 1.007,615 1.122,616 5.132,617 26.339,618 0.681,619 3.738,620 4.078,621 4.317,622 4.466,623 4.7,624 4.736,625 4.812,626 4.812,627 4.898,628 5.03,629 8.54,630 0.645,631 556.53,632 3.738,633 5.293,634 6.138,635 7.008,636 7.868,637 8.74,638 9.606,639 10.478,640 11.346,641 12.22,642 4.3,645 1,648 1,652 1,654 12,659 6,661 18,663 1,666 1,669 2,670 69,672 21,673 3,674 41,676 72,677 29,678 18,679 6,680 12,681 1,683 4,684 4,685 2,691 2,692 1,694 3,696 19,697 10,698 2,699 3,701 1,703 3,707 1,713 31,714 6,715 1,716 9,717 2,720 3,721 1,722 4,725 1,733 4,749 1,751 1,753 4,757 1,758 2,761 38,765 1,766 7,770 1,771 2,772 1,777 2,778 5.8,779 1,781 1,784 2,785 20.417,786 12.419,787 8.306,788 4.145,789 2.135,790 1.276,791 0.933,792 9.318,793 9.876,794 3.989,795 4.549,796 5.032,797 5.451,798 5.928,799 6.015,800 6.249,801 6.061,802 6.196,803 6.491,804 0.9,805 62,806 14.143,807 6.122,808 7.92,809 26.74,810 22.277,811 2.42,812 91.972,815 353.133,816 162.157,817 11.919,818 78.297,819 118.575,822 162.157,823 550.006,824 11.919,825 14.066,826 19.151,827 156.398,828 29.85,829 22.439,831 353.133,832 129.044,833 353.133,834 174.076,835 118.575,836 78.297,838 270.735,839 107.543,840 93.43,841 22.275,842 146.131,843 83.967,845 353.133,846 130.494,847 240.454,850 353.133,851 40.046,852 134.03,854 196.872,855 353.133,856 130.494,857 240.454,859 0.592,860 0.347,861 0.163,862 0.09,863 26,864 13,865 0.125,866 9,868 1,869 4.732,870 360.697,872 24,873 185.421,878 28.374,879 12.479,880 7.074,882 124.824,883 21.012,888 3.214,890 42.683,891 724.081,892 53,894 -0.487,896 35.001,900 -0.212,902 69.516,903 77.449,904 0.266,905 0.569,906 0.731,907 0.853,908 0.884,909 0.884,910 5.244,911 1.99,912 6.155,913 5.732,914 4.762,915 5.236,916 2.845,917 6.987,918 4.677,919 6.452,920 1.463,921 7.746,922 5.471,923 4.511,924 5.075,925 2.431,926 8.162,927 4.334,928 7.766,929 1.414,930 9.449,931 4.029,932 6.425,933 7.359,934 4.225,935 11.183,936 6.27,937 9.113,938 1.262,939 11.221,940 3.507,941 6.986,942 7.971,943 4.52,944 13.227,945 6.758,946 10.492,947 1.211,948 13.039,949 2.985,950 8.414,951 9.772,952 5.962,953 15.87,954 8.195,955 11.892,956 1,957 14.892,958 2.807,959 9.323,960 10.728,961 6.559,962 18.247,963 9.05,964 13.308,965 1,966 16.771,967 2.372,968 10.583,969 12.324,970 7.797,971 20.814,972 10.303,973 3.441,974 1,975 18.671,976 2.275,977 11.648,978 13.455,979 8.549,980 23.315,981 11.328,982 3.013,983 13.186,984 20.589,985 2.136,986 12.855,987 14.949,988 9.67,989 25.876,990 12.516,991 2.896,992 9.609,993 22.522,994 3.986,995 13.994,996 16.175,997 10.509,998 28.423,999 13.618,1000 2.69,1001 9.122,1002 24.467,1003 3.899,1004 15.19,1005 17.613,1006 11.563,1007 30.99,1008 14.788,1009 2.551,1010 8.117,1011 26.423,1012 3.818,1013 16.365,1014 18.894,1015 12.452,1016 33.555,1017 15.928,1018 2.4,1019 7.746,1020 28.388,1021 3.544,1022 17.564,1023 20.3,1024 13.468,1025 36.128,1026 17.097,1027 2.025,1028 6.923,1029 30.36,1030 3.03,1031 18.759,1032 21.615,1033 14.386,1034 38.701,1035 18.257,1036 22227,1037 39664,1038 26.641,1039 46.972,1040 62.165,1041 64.457,1042 63.947,1043 61.791,1044 61.428,1045 77.986,1046 11.34,1047 178.58,1048 58.598,1049 5.529,1050 5.8,1051 7.273,1052 5.443,1053 5.441,1054 6.986,1055 4.612,1056 20.477,1057 5.322,1058 22.551,1059 1.516,1060 1.572,1061 1.56,1062 1.507,1063 1.498,1064 1.902,1065 0.277,1066 4.356,1067 1.429,1068 4.039,1069 4.072,1070 4.124,1071 3.948,1072 7.815,1073 3.945,1074 3.972,1075 4.001,1076 3.967,1077 3.883,1078 7.428,1079 3.879,1080 3.931,1081 3.953,1082 3.902,1083 3.863,1084 6.999,1085 3.865,1086 3.747,1087 3.8,1088 3.69,1089 3.616,1090 6.447,1091 3.613,1092 3.658,1093 3.703,1094 3.609,1095 3.471,1096 5.04,1097 3.473,1098 3.503,1099 3.538,1100 3.49,1101 3.252,1102 4.734,1103 3.288,1104 3.352,1105 3.415,1106 3.398,1107 3.036,1108 4.66,1109 3.082,1110 3.124,1111 3.206,1112 3.246,1113 2.941,1114 4.491,1115 2.937,1116 0.11,1117 0.093,1118 0.182,1119 0.108,1120 0.084,1121 4.529,1122 0.097,1123 3.8,1124 0.064,1125 7.471,1126 0.322,1127 4.408,1128 0.081,1129 3.441,1130 3.986,1131 2.612,1132 13.186,1133 3.322,1134 1.965,1135 1.936,1136 2.101,1137 2.096,1138 1.434,1139 2.093,1140 1.942,1141 1.918,1142 2.045,1143 2.078,1144 1.338,1145 2.059,1146 1.914,1147 1.893,1148 2.006,1149 2.006,1150 1.098,1151 2.014,1152 1.735,1153 1.681,1154 1.912,1155 1.882,1156 1.049,1157 1.898,1158 1.586,1159 1.536,1160 1.768,1161 1.808,1162 0.961,1163 1.786,1164 1.4,1165 1.346,1166 1.66,1167 1.658,1168 0.841,1169 1.648,1170 1.19,1171 1.147,1172 1.513,1173 1.564,1174 0.825,1175 1.518,1176 1.153,1177 1.064,1178 1.392,1179 1.376,1180 0.59,1181 1.429,1182 4.419,1183 5.753,1185 7.28,1187 8.887,1189 10.533,1191 1.731,1192 12.482,1196 11.173,1197 4.888,1201 -0.008,1202 3.985,1203 -0.807,1206 44.48,1207 112.272,1208 239.636,1209 307.939,1210 359.714,1211 372.733,1212 372.733,1213 108.06,1214 7.741,1215 89.6,1216 89.6,1217 24,1218 12.761,1219 4.459,1220 3.7,1221 67.412,1222 184,1223 206,1224 0.164,1225 280.207,1226 497.66,1227 675.465,1228 24647,1229 2.9,1230 27.286,1231 0.718,1232 0.598,1233 28.286,1234 22.737,1235 18.159,1236 0.443,1237 0.326,1238 12.535,1239 17.009,1240 12.167,1241 10.019,1242 18.736,1243 13.368,1244 16.788,1245 0.289,1246 0.185,1247 17.53,1248 10.702,1249 14.164,1250 0.191,1251 0.11,1252 15.079,1253 8.108,1254 10.341,1255 0.12,1256 0.062,1257 10.727,1258 5.318,1259 8.427,1260 0.077,1261 0.036,1262 8.824,1263 3.954,1264 0.261,1265 119.55,1266 0.194,1267 34.727,1268 0.44,1269 198,1270 590.698,1271 244.361,1272 630.915,1273 817.24,1274 580,1275 231,1276 540.335,1277 274.194,1278 564.786,1279 817.31,1280 528,1281 8.55}
{0 CHEMBL186354,1 1.527,2 13.333,3 4.831,4 23.34,5 149.064,6 7.631,7 0.462,8 4.304,9 4.426,10 3.883,11 3.888,12 5.357,13 3.837,14 4.859,15 5.034,16 4.28,17 4.313,18 5.849,19 4.237,20 5.2,21 5.401,22 4.484,23 4.526,24 6.216,25 4.413,26 5.356,27 5.594,28 4.299,29 4.529,30 6.34,31 4.384,32 5.373,33 5.641,34 4.256,35 4.519,36 6.222,37 4.363,38 5.345,39 5.601,40 4.267,41 4.518,42 6.215,43 4.354,44 5.327,45 5.593,46 4.308,47 4.495,48 6.201,49 4.337,50 5.225,51 5.457,52 4.383,53 4.495,54 6.195,55 4.35,56 0.051,57 0.941,58 14.275,59 6.488,60 14.489,61 8.72,62 0.209,63 1.559,64 27.918,65 11.108,66 22.579,67 15.216,68 0.353,69 2.029,70 47.848,71 16.392,72 58.741,73 21.92,74 0.611,75 2.278,76 53.454,77 18.785,78 103.932,79 25.466,80 0.506,81 2.333,82 54.969,83 19.093,84 77.397,85 26.621,86 0.508,87 2.248,88 56.407,89 18.779,90 79.09,91 26.025,92 0.647,93 2.149,94 58.706,95 18.53,96 78.066,97 25.684,98 0.455,99 1.974,100 51.66,101 17.416,102 67.988,103 23.632,104 37,105 55,106 0.24,107 0.546,108 0.695,109 0.823,110 0.868,111 0.868,112 3.616,113 1.006,114 -6.31,115 -6.14,116 -5.7,119 42,121 3,122 1,124 1,125 4,127 1,132 12,133 3,134 3,144 1,148 1,149 1,150 1,155 15,157 1,158 6,162 5,163 20,164 2,166 5,170 4,173 18,174 2,176 9,178 2,179 3,181 3,183 11,184 1,185 1,186 9,191 1,193 9,196 6,200 2,203 10,204 1,205 1,206 7,211 3,214 15,216 2,218 3,223 3,224 15,225 2,227 6,228 1,229 2,231 3,234 17,236 1,238 2868,239 23.921,240 23.921,241 23.921,242 23.921,243 23.921,244 21.533,245 29.329,246 13.936,247 24.403,248 19.146,249 19.146,250 19.146,251 19.146,252 19.146,253 15.691,254 36.953,255 6.547,256 20.056,257 4.581,258 2.636,259 1.687,260 0.879,261 0.591,262 0.591,263 4.305,264 2,268 1026,269 4.301,272 574.763,277 1.833,278 36.08,280 0.5,281 0.67,282 0.67,283 0.8,284 1,285 0.67,286 1,287 0.76,288 76.167,289 480,290 4.529,291 3.8,292 7.471,293 4.408,294 3.441,295 3.939,296 1.2,297 13.186,298 3.322,299 4.362,300 3.702,301 6.553,302 4.046,303 3.061,304 3.897,305 0.8,306 10.147,307 3.015,308 4.263,309 3.344,310 6.216,311 3.89,312 2.924,313 3.818,314 0.765,315 9.288,316 2.841,317 3.802,318 2.992,319 5.815,320 3.493,321 2.591,322 3.049,323 0.293,324 7.797,325 2.295,326 3.579,327 2.754,328 5.485,329 3.348,330 2.418,331 2.826,333 6.931,334 2.25,335 3.543,336 2.62,337 5.354,338 3.224,339 2.273,340 2.814,342 6.701,343 2.09,344 3.321,345 2.155,346 4.991,347 3.005,348 2.024,349 2.392,351 5.471,352 1.968,353 2.883,354 2.093,355 4.485,356 2.54,357 1.562,358 2.032,360 4.332,361 1.498,362 2.845,363 2.072,364 4.191,365 2.403,366 1.414,367 1.956,369 3.591,370 1.397,371 2.818,372 1.478,373 4.029,374 2.325,375 1.414,376 1.929,378 3.473,379 1.304,380 2.66,381 1.467,382 3.802,383 2.301,384 1.345,385 1.715,387 2.981,388 1.21,389 2.586,390 1.306,391 3.666,392 2.209,393 1.219,394 1.598,396 2.808,397 1.188,398 2.5,399 1.284,400 3.623,401 2,402 1,403 1.5,405 2.372,406 1,407 2.175,408 1.077,409 3.41,410 1.984,411 1,412 1,414 2.136,415 0.983,416 2,417 1,418 3.247,419 1.787,420 0.77,421 0.981,423 1.853,424 0.775,425 17.795,426 0.494,427 0.993,428 0.028,429 42.25,430 1.174,431 20,432 0.556,433 22.25,434 0.618,435 38.991,436 1.083,437 39.205,438 0.568,439 34.772,440 0.966,441 8.171,442 0.227,443 9.094,444 0.253,445 0.168,446 0.028,447 0.27,450 0.765,451 1.237,452 0.663,453 0.945,454 0.769,455 0.932,456 0.794,457 1.068,458 0.716,459 0.895,460 0.607,461 0.921,462 0.987,463 1.179,464 0.844,465 1.069,466 0.918,467 1.07,468 1.106,469 1.094,470 0.874,471 1.031,472 1.26,473 1.074,474 0.884,475 0.969,476 0.739,477 0.889,478 0.907,479 0.931,480 0.932,481 1.059,482 0.941,483 1.021,484 0.937,485 1.042,486 0.919,487 0.859,488 0.935,489 0.882,490 0.922,491 0.892,492 0.832,493 1.036,494 1.004,495 1.059,496 0.834,497 1.033,498 8,499 0.33,500 5.556,501 2.438,502 1.978,503 1.319,504 0.891,505 0.642,506 0.558,507 0.507,508 19699,509 53241,510 2.033,511 47.8,513 23,516 3,518 3,519 4,520 1.778,521 1.886,522 3.669,523 0.745,527 105.387,528 1.527,529 3.473,530 4.422,531 5.23,532 5.518,533 5.518,534 3.06,535 4.705,536 5.142,537 3.861,538 2432.66,539 9.059,540 39732.8,544 421.488,545 1.574,546 5.086,547 0.205,548 0.007,549 0.101,550 0.041,551 0.039,552 0.026,553 0.019,554 0.013,555 0.011,556 0.01,557 0.472,558 0.17,559 0.75,560 0.574,561 197.14,562 -0.058,563 -0.037,564 0.01,565 0.031,566 -0.092,567 0.036,568 -0.008,569 0.08,570 0.028,571 0.058,572 0.038,573 0.038,574 -0.018,575 -0.134,576 0.023,577 -0.094,578 0.035,579 -0.098,580 -0.033,581 -0.102,582 -0.073,583 -0.089,584 -0.04,585 -0.116,586 -0.031,587 0.016,588 0.034,589 0.044,590 -0.027,591 0.038,592 -0.053,593 -0.071,594 -0.049,595 -0.063,596 -0.075,597 -0.064,598 0.018,599 0.108,600 0.037,601 0.087,602 -0.031,603 0.092,604 0.054,605 -0.05,606 0.01,607 -0.055,608 0.027,609 -0.034,610 2.025,611 6.126,612 0.667,613 41.074,614 0.996,615 1.122,616 5.076,617 25.768,618 0.679,619 3.689,620 4.025,621 4.277,622 4.443,623 4.663,624 4.635,625 4.7,626 4.771,627 4.875,628 4.977,629 7.971,630 0.632,631 526.55,632 3.689,633 5.242,634 6.089,635 6.961,636 7.824,637 8.698,638 9.566,639 10.441,640 11.312,641 12.187,642 4.3,645 1,646 1,648 1,654 12,659 6,661 18,663 1,665 1,669 2,670 69,672 19,673 3,674 39,676 72,677 29,678 18,679 6,680 12,681 1,683 4,684 4,685 2,691 2,692 1,694 3,696 19,697 10,698 2,699 1,703 1,707 1,713 33,714 5,715 3,716 7,717 2,720 3,721 1,722 2,725 1,733 4,749 1,751 1,753 4,757 1,758 2,761 36,762 1,765 1,766 7,770 1,771 2,772 1,777 2,778 2.9,779 1,781 1,785 19.083,786 12.219,787 7.889,788 4.119,789 2.02,790 1.265,791 0.947,792 8.836,793 9.642,794 3.912,795 4.46,796 4.961,797 5.391,798 5.843,799 5.778,800 5.921,801 5.984,802 6.16,803 6.4,804 0.889,805 59,806 13.397,807 5.748,808 7.721,809 25.777,810 21.587,811 2.221,812 79.972,815 353.133,816 162.157,817 39.146,818 78.297,819 67.828,822 162.157,823 499.259,824 39.146,825 8.396,826 19.151,827 189.296,828 29.85,829 22.439,831 353.133,832 78.297,833 353.133,834 201.303,835 67.828,836 78.297,838 270.735,839 107.543,840 42.683,841 22.275,842 179.028,843 78.297,845 353.133,846 106.974,847 240.454,850 353.133,851 40.046,852 128.36,854 179.023,855 353.133,856 106.974,857 240.454,859 0.589,860 0.349,861 0.171,862 0.094,863 25,864 12,865 0.111,866 8,868 1,869 4.566,870 338.191,872 24,873 178.117,878 26.806,879 11.867,880 6.56,882 106.974,883 22.752,888 4.022,890 75.581,891 700.562,892 49,896 13.126,900 -0.107,902 68.745,903 77.445,904 0.25,905 0.569,906 0.724,907 0.856,908 0.903,909 0.903,910 5.168,911 1.562,912 6.103,913 5.471,914 4.71,915 5.147,916 1.793,917 6.942,918 4.624,919 6.366,920 1.414,921 7.696,922 4.332,923 4.443,924 4.913,925 0.57,926 8.134,927 4.26,928 7.674,929 1.414,930 9.403,931 3.591,932 6.375,933 7.247,934 1.737,935 11.174,936 6.222,937 9.017,938 1.345,939 11.182,940 3.473,941 6.938,942 7.797,943 0.801,944 13.236,945 6.71,946 10.394,947 1.219,948 13.009,949 2.981,950 8.377,951 9.642,952 1.851,953 15.891,954 8.162,955 11.794,956 1,957 14.872,958 2.808,959 9.297,960 10.558,961 1.074,962 18.273,963 9.031,964 13.212,965 1,966 16.76,967 2.372,968 10.565,969 12.187,970 2.046,971 20.844,972 10.294,973 3.441,974 0.77,975 18.669,976 2.136,977 11.642,978 13.292,979 1.404,980 23.343,981 11.331,982 3.061,983 13.186,984 20.595,985 1.853,986 12.855,987 14.808,988 2.289,989 25.903,990 12.527,991 2.924,992 10.147,993 22.534,994 3.939,995 14.002,996 16.019,997 1.768,998 28.446,999 13.639,1000 2.591,1001 9.288,1002 24.484,1003 3.897,1004 15.202,1005 17.471,1006 2.562,1007 31.01,1008 14.815,1009 2.418,1010 7.797,1011 26.444,1012 3.818,1013 16.382,1014 18.743,1015 2.15,1016 33.572,1017 15.961,1018 2.273,1019 6.931,1020 28.411,1021 3.049,1022 17.585,1023 20.157,1024 2.856,1025 36.142,1026 17.133,1027 2.024,1028 6.701,1029 30.385,1030 2.826,1031 18.782,1032 21.465,1033 2.538,1034 38.712,1035 18.297,1036 18822,1037 31127,1038 25.542,1039 46.824,1040 58.911,1041 60.005,1042 60.707,1043 58.476,1044 58.128,1045 72.247,1046 6.115,1047 168.956,1048 55.368,1049 5.529,1050 5.8,1051 7.273,1052 5.443,1053 5.441,1054 6.939,1055 2.293,1056 20.477,1057 5.322,1058 19.779,1059 1.511,1060 1.539,1061 1.557,1062 1.499,1063 1.49,1064 1.852,1065 0.157,1066 4.332,1067 1.42,1068 4.025,1069 4.061,1070 4.124,1071 3.946,1072 7.428,1073 3.941,1074 3.947,1075 3.976,1076 3.92,1077 3.883,1078 6.447,1079 3.877,1080 3.909,1081 3.932,1082 3.879,1083 3.847,1084 5.098,1085 3.846,1086 3.747,1087 3.8,1088 3.672,1089 3.615,1090 5.039,1091 3.612,1092 3.607,1093 3.664,1094 3.562,1095 3.467,1096 4.733,1097 3.461,1098 3.414,1099 3.478,1100 3.4,1101 3.216,1102 4.506,1103 3.228,1104 3.14,1105 3.206,1106 3.336,1107 2.975,1108 4.491,1109 2.977,1110 3.111,1111 3.192,1112 3.17,1113 2.941,1114 4.352,1115 2.91,1116 0.116,1117 0.097,1118 0.192,1119 0.113,1120 0.088,1121 4.529,1122 0.101,1123 3.8,1124 0.031,1125 7.471,1126 0.338,1127 4.408,1128 0.085,1129 3.441,1130 3.939,1131 1.2,1132 13.186,1133 3.322,1134 1.964,1135 1.935,1136 2.1,1137 2.084,1138 1.434,1139 2.092,1140 1.937,1141 1.914,1142 2.044,1143 2.035,1144 1.338,1145 2.04,1146 1.899,1147 1.876,1148 2,1149 1.981,1150 1.082,1151 1.993,1152 1.734,1153 1.681,1154 1.912,1155 1.882,1156 1.049,1157 1.898,1158 1.581,1159 1.529,1160 1.767,1161 1.758,1162 0.96,1163 1.769,1164 1.381,1165 1.312,1166 1.659,1167 1.608,1168 0.839,1169 1.63,1170 1.153,1171 1.064,1172 1.513,1173 1.376,1174 0.825,1175 1.429,1176 1.097,1177 1.043,1178 1.392,1179 1.326,1180 0.589,1181 1.346,1182 4.369,1183 5.7,1185 7.231,1187 8.844,1189 10.498,1191 1.806,1192 12.518,1195 6.051,1196 11.175,1197 5.228,1201 0.064,1202 4.113,1203 -0.775,1206 43.578,1207 105.387,1208 239.636,1209 305.085,1210 360.859,1211 380.733,1212 380.733,1213 89.878,1214 7.622,1215 69.8,1216 69.8,1217 24,1218 12.727,1219 4.322,1220 3.459,1221 61.919,1222 164,1223 186,1224 0.17,1225 275.142,1226 482.72,1227 663.106,1228 21067,1229 2.9,1230 25.709,1231 0.714,1232 0.613,1233 26.709,1234 22.05,1235 17.265,1236 0.443,1237 0.335,1238 12.275,1239 16.329,1240 11.883,1241 9.803,1242 17.842,1243 13.074,1244 15.795,1245 0.287,1246 0.191,1247 16.537,1248 10.486,1249 13.515,1250 0.19,1251 0.112,1252 14.429,1253 7.974,1254 10.087,1255 0.12,1256 0.063,1257 10.473,1258 5.269,1259 8.255,1260 0.079,1261 0.037,1262 8.653,1263 3.925,1264 0.269,1265 112.577,1266 0.198,1267 33.079,1268 0.461,1269 188,1270 476.894,1271 229.211,1272 531.166,1273 699.28,1274 492,1275 220,1276 458.815,1277 258.375,1278 491.374,1279 715.75,1280 461,1281 9.4}
{0 CHEMBL187164,1 1.527,2 13.361,3 4.831,4 23.34,5 149.064,6 7.631,7 0.462,8 4.304,9 4.426,10 3.883,11 3.888,12 5.356,13 3.837,14 4.859,15 5.034,16 4.28,17 4.313,18 5.853,19 4.237,20 5.2,21 5.401,22 4.472,23 4.524,24 6.217,25 4.409,26 5.353,27 5.595,28 4.273,29 4.523,30 6.288,31 4.375,32 5.352,33 5.618,34 4.26,35 4.513,36 6.223,37 4.355,38 5.346,39 5.604,40 4.277,41 4.507,42 6.218,43 4.349,44 5.295,45 5.548,46 4.299,47 4.489,48 6.204,49 4.335,50 5.251,51 5.495,52 4.366,53 4.496,54 6.185,55 4.343,56 0.051,57 0.941,58 14.275,59 6.488,60 14.377,61 8.72,62 0.209,63 1.559,64 27.918,65 11.108,66 23.063,67 15.216,68 0.359,69 2.026,70 47.844,71 16.398,72 61.75,73 21.92,74 0.557,75 2.253,76 53.688,77 18.833,78 91.612,79 25.516,80 0.5,81 2.297,82 53.399,83 19.03,84 79.338,85 26.594,86 0.532,87 2.224,88 57.005,89 18.847,90 79.695,91 25.992,92 0.641,93 2.116,94 56.031,95 17.621,96 79.335,97 24.333,98 0.472,99 1.994,100 53.708,101 18.086,102 69.5,103 24.623,104 37,105 55,106 0.24,107 0.546,108 0.704,109 0.831,110 0.868,111 0.868,112 3.615,113 1.005,114 -5.8,115 -5.66,116 -5.27,119 42,121 3,122 1,124 1,125 4,127 1,132 12,133 3,134 3,144 1,148 1,149 1,150 1,155 15,157 1,158 6,162 5,163 20,164 2,166 7,170 4,173 18,174 2,176 7,179 1,181 3,183 11,184 1,185 1,186 9,188 2,189 2,191 1,193 10,196 6,200 1,203 11,205 1,206 7,211 2,214 15,216 1,218 4,223 3,224 14,225 2,227 5,229 1,231 4,234 17,236 2,238 2890,239 23.869,240 23.869,241 23.869,242 23.869,243 23.869,244 21.509,245 29.329,246 13.9,247 24.354,248 19.163,249 19.163,250 19.163,251 19.163,252 19.163,253 15.712,254 36.008,255 6.559,256 20.076,257 4.581,258 2.636,259 1.635,260 0.826,261 0.591,262 0.591,263 4.305,264 2,268 1028,269 4.301,272 576.666,277 1.861,278 35.662,280 0.5,281 0.67,282 0.83,283 0.9,284 1,285 0.83,286 1,287 0.82,288 76.167,289 481,290 4.529,291 3.8,292 7.471,293 4.408,294 3.441,295 3.899,296 1.2,297 13.186,298 3.322,299 4.292,300 3.684,301 6.373,302 3.991,303 3.013,304 3.818,305 0.8,306 9.634,307 2.952,308 4.241,309 3.344,310 6.189,311 3.86,312 2.89,313 3.813,314 0.765,315 9.142,316 2.818,317 3.805,318 2.989,319 5.805,320 3.486,321 2.58,322 3.08,323 0.293,324 7.764,325 2.31,326 3.662,327 2.753,328 5.355,329 3.354,330 2.418,331 2.966,333 6.925,334 2.272,335 3.547,336 2.553,337 5.254,338 3.278,339 2.323,340 2.815,342 6.475,343 2.126,344 3.321,345 2.16,346 4.991,347 3.005,348 2.024,349 2.393,351 5.471,352 1.97,353 3.073,354 2.095,355 4.762,356 2.761,357 1.804,358 2.211,360 5.095,361 1.707,362 2.821,363 2.092,364 4.331,365 2.406,366 1.428,367 1.95,369 3.944,370 1.369,371 2.731,372 1.75,373 4.032,374 2.304,375 1.414,376 1.794,378 3.503,379 1.223,380 2.65,381 1.478,382 3.802,383 2.226,384 1.23,385 1.707,387 2.812,388 1.198,389 2.58,390 1.284,391 3.666,392 2.18,393 1.189,394 1.594,396 2.633,397 1.172,398 2.5,399 1.17,400 3.55,401 2,402 1,403 1.5,405 2.372,406 1,407 2.159,408 1.077,409 3.412,410 1.984,411 1,412 1,414 2.136,415 0.983,416 2,417 1,418 3.247,419 1.77,420 0.752,421 0.946,423 1.855,424 0.756,425 17.795,426 0.494,427 1.01,428 0.028,429 42.25,430 1.174,431 20,432 0.556,433 22.25,434 0.618,435 38.87,436 1.08,437 39.205,438 0.568,439 34.63,440 0.962,441 8.155,442 0.227,443 9.092,444 0.253,445 0.168,446 0.028,447 0.27,450 0.765,451 1.237,452 0.663,453 0.945,454 0.77,455 0.932,456 0.794,457 1.068,458 0.716,459 0.895,460 0.598,461 0.921,462 0.995,463 1.17,464 0.858,465 1.077,466 0.927,467 1.086,468 1.147,469 1.084,470 0.868,471 1.006,472 1.303,473 1.049,474 0.726,475 0.985,476 0.723,477 0.931,478 0.723,479 0.961,480 0.98,481 1.028,482 0.913,483 0.974,484 0.988,485 0.988,486 1.011,487 0.909,488 1.018,489 0.949,490 1.031,491 0.976,492 0.782,493 0.973,494 0.959,495 1.01,496 0.786,497 0.984,498 8.5,499 0.326,500 5.333,501 2.313,502 1.898,503 1.431,504 0.85,505 0.58,506 0.608,507 0.457,508 19827,509 53649,510 2.033,511 47.8,513 23,516 3,518 3,519 4,520 1.778,521 1.886,522 3.681,523 0.745,527 105.387,528 1.527,529 3.473,530 4.474,531 5.282,532 5.518,533 5.518,534 3.084,535 4.705,536 5.141,537 3.876,538 2441.67,539 9.058,540 39990.3,544 421.488,545 1.574,546 5.086,547 0.218,548 0.007,549 0.097,550 0.04,551 0.038,552 0.029,553 0.017,554 0.012,555 0.012,556 0.009,557 0.479,558 0.17,559 0.75,560 0.574,561 197.364,562 -0.058,563 -0.037,564 0.01,565 0.031,566 -0.094,567 0.036,568 -0.008,569 0.08,570 0.028,571 0.058,572 0.046,573 0.038,574 -0.027,575 -0.126,576 0.009,577 -0.103,578 0.026,579 -0.113,580 -0.087,581 -0.104,582 -0.065,583 -0.06,584 -0.103,585 -0.086,586 0.059,587 0.001,588 0.046,589 0.008,590 0.058,591 0.015,592 -0.049,593 -0.054,594 -0.014,595 -0.015,596 -0.055,597 -0.01,598 -0.032,599 0.088,600 -0.042,601 0.016,602 -0.087,603 -0.003,604 0.075,605 -0.01,606 0.05,607 -0.006,608 0.039,609 0.022,610 2.023,611 6.082,612 0.667,613 41.753,614 0.996,615 1.122,616 4.565,617 20.842,618 0.679,619 3.689,620 4.025,621 4.263,622 4.431,623 4.663,624 4.654,625 4.7,626 4.762,627 4.868,628 4.97,629 8.029,630 0.632,631 526.55,632 3.689,633 5.242,634 6.084,635 6.956,636 7.815,637 8.687,638 9.552,639 10.426,640 11.293,641 12.167,642 4.3,645 1,646 1,648 1,654 12,659 6,661 18,663 1,665 1,669 2,670 69,672 19,673 3,674 39,676 72,677 29,678 18,679 6,680 12,681 1,683 4,684 4,685 2,691 2,692 1,694 3,696 19,697 10,698 2,699 1,703 1,707 1,713 33,714 5,715 3,716 7,717 2,720 3,721 1,722 2,725 1,733 4,749 1,751 1,753 4,757 1,758 2,761 36,762 1,765 1,766 7,770 1,771 2,772 1,777 2,778 2.9,779 1,781 1,785 19.083,786 12.219,787 7.861,788 4.112,789 2.002,790 1.263,791 0.947,792 8.836,793 9.624,794 3.912,795 4.46,796 4.951,797 5.38,798 5.853,799 5.803,800 5.939,801 5.948,802 6.14,803 6.398,804 0.889,805 58,806 13.392,807 5.739,808 7.721,809 25.777,810 21.582,811 2.221,812 79.972,815 353.133,816 162.157,817 39.146,818 78.297,819 67.828,822 162.157,823 499.259,824 39.146,825 8.396,826 19.151,827 189.296,828 29.85,829 22.439,831 353.133,832 78.297,833 353.133,834 201.303,835 67.828,836 78.297,838 270.735,839 107.543,840 42.683,841 22.275,842 179.028,843 78.297,845 353.133,846 106.974,847 240.454,850 353.133,851 40.046,852 128.36,854 179.023,855 353.133,856 106.974,857 240.454,859 0.59,860 0.344,861 0.168,862 0.094,863 25,864 12,865 0.111,866 8,868 1,869 4.581,870 336.986,872 24,873 178.117,878 26.806,879 11.867,880 6.755,882 106.974,883 22.678,888 4.196,890 75.581,891 700.562,892 49,896 13.082,900 -0.071,902 68.745,903 77.445,904 0.25,905 0.569,906 0.732,907 0.865,908 0.903,909 0.903,910 5.168,911 1.804,912 6.098,913 5.471,914 4.71,915 5.147,916 1.793,917 6.929,918 4.624,919 6.366,920 1.428,921 7.685,922 5.095,923 4.443,924 4.913,925 0.57,926 8.102,927 4.26,928 7.672,929 1.414,930 9.384,931 3.944,932 6.368,933 7.24,934 1.737,935 11.133,936 6.214,937 9.012,938 1.23,939 11.154,940 3.503,941 6.919,942 7.768,943 0.801,944 13.188,945 6.688,946 10.383,947 1.189,948 12.974,949 2.812,950 8.356,951 9.616,952 1.851,953 15.841,954 8.139,955 11.778,956 1,957 14.829,958 2.633,959 9.265,960 10.501,961 1.074,962 18.227,963 8.993,964 13.189,965 1,966 16.713,967 2.372,968 10.532,969 12.133,970 2.046,971 20.8,972 10.255,973 3.441,974 0.752,975 18.618,976 2.136,977 11.602,978 13.208,979 1.404,980 23.307,981 11.283,982 3.013,983 13.186,984 20.542,985 1.855,986 12.814,987 14.725,988 2.289,989 25.871,990 12.477,991 2.89,992 9.634,993 22.481,994 3.899,995 13.958,996 15.908,997 1.768,998 28.42,999 13.585,1000 2.58,1001 9.142,1002 24.432,1003 3.818,1004 15.159,1005 17.358,1006 2.562,1007 30.988,1008 14.76,1009 2.418,1010 7.764,1011 26.393,1012 3.813,1013 16.339,1014 18.606,1015 2.15,1016 33.555,1017 15.904,1018 2.323,1019 6.925,1020 28.363,1021 3.08,1022 17.542,1023 20.016,1024 2.856,1025 36.127,1026 17.077,1027 2.024,1028 6.475,1029 30.339,1030 2.966,1031 18.741,1032 21.303,1033 2.538,1034 38.7,1035 18.24,1036 18943,1037 31344,1038 25.542,1039 46.824,1040 59.003,1041 60.178,1042 60.513,1043 58.547,1044 58.181,1045 72.303,1046 6.115,1047 168.633,1048 55.42,1049 5.529,1050 5.8,1051 7.273,1052 5.443,1053 5.441,1054 6.899,1055 2.293,1056 20.477,1057 5.322,1058 19.881,1059 1.513,1060 1.543,1061 1.552,1062 1.501,1063 1.492,1064 1.854,1065 0.157,1066 4.324,1067 1.421,1068 4.025,1069 4.061,1070 4.124,1071 3.946,1072 7.428,1073 3.941,1074 3.947,1075 3.975,1076 3.919,1077 3.883,1078 6.447,1079 3.876,1080 3.909,1081 3.932,1082 3.876,1083 3.847,1084 5.108,1085 3.845,1086 3.747,1087 3.8,1088 3.672,1089 3.615,1090 5.039,1091 3.612,1092 3.61,1093 3.667,1094 3.564,1095 3.467,1096 4.733,1097 3.462,1098 3.419,1099 3.482,1100 3.401,1101 3.22,1102 4.491,1103 3.233,1104 3.148,1105 3.206,1106 3.347,1107 2.978,1108 4.48,1109 2.981,1110 3.111,1111 3.203,1112 3.17,1113 2.941,1114 4.35,1115 2.91,1116 0.116,1117 0.097,1118 0.192,1119 0.113,1120 0.088,1121 4.529,1122 0.1,1123 3.8,1124 0.031,1125 7.471,1126 0.338,1127 4.408,1128 0.085,1129 3.441,1130 3.899,1131 1.2,1132 13.186,1133 3.322,1134 1.964,1135 1.935,1136 2.1,1137 2.084,1138 1.434,1139 2.092,1140 1.937,1141 1.914,1142 2.044,1143 2.034,1144 1.338,1145 2.04,1146 1.899,1147 1.876,1148 2,1149 1.981,1150 1.082,1151 1.993,1152 1.734,1153 1.681,1154 1.912,1155 1.882,1156 1.049,1157 1.898,1158 1.581,1159 1.53,1160 1.767,1161 1.762,1162 0.96,1163 1.771,1164 1.383,1165 1.315,1166 1.659,1167 1.61,1168 0.839,1169 1.632,1170 1.153,1171 1.064,1172 1.513,1173 1.376,1174 0.825,1175 1.429,1176 1.1,1177 1.046,1178 1.392,1179 1.337,1180 0.589,1181 1.347,1182 4.369,1183 5.7,1185 7.226,1187 8.833,1189 10.481,1191 1.816,1192 12.516,1195 5.885,1196 11.173,1197 5.263,1201 0.074,1202 4.133,1203 -0.773,1206 43.578,1207 105.387,1208 239.636,1209 308.694,1210 364.469,1211 380.733,1212 380.733,1213 88.633,1214 7.622,1215 69.8,1216 69.8,1217 24,1218 12.709,1219 4.322,1220 3.459,1221 61.926,1222 165,1223 186,1224 0.169,1225 275.142,1226 482.72,1227 663.106,1228 21067,1229 2.9,1230 25.709,1231 0.714,1232 0.613,1233 26.709,1234 22.05,1235 17.248,1236 0.442,1237 0.335,1238 12.269,1239 16.31,1240 11.873,1241 9.797,1242 17.825,1243 13.068,1244 15.901,1245 0.289,1246 0.191,1247 16.643,1248 10.524,1249 13.382,1250 0.191,1251 0.113,1252 14.296,1253 7.917,1254 9.962,1255 0.12,1256 0.063,1257 10.348,1258 5.264,1259 8.249,1260 0.079,1261 0.037,1262 8.646,1263 3.901,1264 0.268,1265 112.476,1266 0.198,1267 33.121,1268 0.457,1269 188,1270 476.894,1271 229.211,1272 531.434,1273 698.76,1274 492,1275 219,1276 457.815,1277 257.208,1278 490.822,1279 713.28,1280 460,1281 9.4}
{0 CHEMBL2110370,1 1.585,2 12.483,3 3.5,4 12.249,5 117.391,6 7.403,7 0.5,8 4.112,9 4.224,10 3.767,11 3.702,12 5.121,13 3.641,14 4.689,15 4.859,16 4.089,17 4.116,18 5.66,19 4.035,20 4.989,21 5.188,22 4.198,23 4.292,24 5.935,25 4.17,26 5.112,27 5.342,28 4.096,29 4.314,30 6.025,31 4.135,32 5.144,33 5.43,34 3.953,35 4.191,36 6.014,37 4.017,38 4.944,39 5.187,40 3.841,41 4.074,42 5.9,43 3.953,44 4.886,45 5.121,46 3.779,47 4.101,48 5.731,49 3.942,50 4.929,51 5.216,52 3.638,53 4.02,54 5.691,55 3.828,56 0.039,57 0.863,58 13.711,59 5.997,60 9.87,61 7.367,62 0.169,63 1.438,64 26.186,65 10.224,66 23.72,67 12.679,68 0.368,69 1.836,70 37.982,71 13.995,72 51.03,73 17.086,74 0.476,75 1.958,76 45.898,77 16.601,78 60.184,79 20.625,80 0.531,81 1.926,82 50.45,83 16.314,84 74.229,85 21.274,86 0.535,87 1.619,88 34.309,89 11.987,90 73.98,91 15.592,92 0.333,93 1.595,94 32.405,95 12.216,96 40.54,97 16.284,98 0.286,99 1.544,100 35.744,101 12.848,102 42.874,103 17.56,104 11,105 45,106 0.26,107 0.576,108 0.757,109 0.832,110 0.84,111 0.84,112 3.408,113 1.066,114 -4.3,115 -4.23,116 -4,119 41.1,121 3,124 1,125 4,127 1,132 8,133 2,134 2,140 1,141 1,155 8,158 5,162 3,163 9,166 3,170 3,173 6,175 2,176 5,183 4,186 4,189 1,193 7,195 1,196 4,203 6,206 5,211 2,214 4,218 4,224 2,227 3,229 1,234 4,238 1299,239 19.784,240 19.784,241 19.784,242 19.784,243 19.784,244 17.759,245 19.098,246 11.498,247 20.46,248 15.671,249 15.671,250 15.671,251 15.671,252 15.671,253 12.653,254 22.346,255 5.348,256 16.655,257 4.222,258 2.299,259 1.197,260 0.741,261 0.692,262 0.692,263 4.104,266 1,267 1,268 791,269 3.606,271 72.694,272 296.114,274 134.796,277 2.088,278 29.735,280 1,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.9,288 62.5,289 362,290 4.547,291 4.798,292 7.217,293 4.306,294 3.366,295 4.502,296 2.95,297 12.703,298 3.159,299 4.397,300 3.591,301 6.544,302 4.072,303 3.088,304 3.698,305 0.86,306 10.345,307 3.037,308 4.066,309 3.201,310 5.997,311 3.617,312 2.725,313 3.316,314 0.8,315 8.461,316 2.422,317 3.646,318 2.821,319 5.337,320 3.348,321 2.421,322 3.065,324 6.925,325 2.247,326 3.435,327 2.723,328 5.132,329 3.173,330 2.236,331 2.674,333 6.157,334 2.08,335 3.285,336 2.595,337 4.948,338 2.867,339 1.904,340 2.498,342 5.681,343 1.818,344 3.217,345 2.101,346 4.32,347 2.694,348 1.752,349 2.357,351 4.07,352 1.619,353 2.72,354 1.699,355 4.132,356 2.251,357 1.271,358 1.818,360 3.448,361 1.243,362 2.557,363 1.336,364 3.802,365 2.014,366 1.064,367 1.511,369 2.546,370 1,371 2.5,372 1.224,373 3.581,374 2,375 1,376 1.5,378 2.372,379 0.994,380 2.237,381 1.077,382 3.502,383 1.984,384 1,385 1.15,387 2.136,388 0.983,389 2,390 1,391 3.303,392 1.858,393 0.908,394 1,396 2.07,397 0.858,398 1.799,399 0.985,400 3.247,401 1.553,402 0.628,403 0.717,405 1.373,406 0.573,407 1.493,408 0.657,409 3.108,410 1.299,411 0.413,412 0.445,414 0.681,415 0.364,416 1.144,417 0.549,418 3.011,419 0.911,420 -0.044,421 -0.049,423 -0.101,424 -0.041,425 14.086,426 0.486,427 0.675,428 0.023,429 33.75,430 1.164,431 15.5,432 0.534,433 18.25,434 0.629,435 27.716,436 0.956,437 32.114,438 0.573,439 24.197,440 0.834,441 6.534,442 0.225,443 7.549,444 0.26,445 0.079,446 0.035,447 0.265,449 1,450 0.622,451 1.138,452 0.812,453 1.103,454 0.548,455 0.995,456 0.942,457 1.009,458 1.001,459 1.01,460 0.584,461 0.957,462 1.16,463 1.024,464 1.124,465 1.083,466 0.932,467 1.079,468 0.829,469 1.057,470 1.258,471 1.256,472 0.789,473 1.194,474 0.773,475 0.816,476 1.032,477 1.003,478 0.882,479 0.857,480 1.379,481 0.862,482 0.903,483 0.766,484 1.444,485 0.927,486 0.786,487 0.979,488 1.04,489 1.091,490 0.613,491 1.188,492 0.622,493 0.861,494 0.856,495 0.931,496 0.572,497 0.983,498 6.5,499 0.169,500 3.556,501 1.729,502 1.738,503 0.927,504 0.394,505 0.405,506 0.296,507 0.172,508 12063,509 31599,510 2.103,511 48.2,513 19,514 1,516 1,518 2,519 4,520 1.715,521 1.989,522 3.602,523 -0.371,525 1,527 88.788,528 1.585,529 3.508,530 4.611,531 5.066,532 5.115,533 5.115,534 3.112,535 4.513,536 4.831,537 3.795,538 1540.76,539 8.387,540 21621.6,542 1,543 1,544 325.212,545 1.428,546 4.792,547 0.203,548 0.008,549 0.079,550 0.038,551 0.046,552 0.026,553 0.012,554 0.013,555 0.011,556 0.007,557 0.444,558 0.17,559 1,560 0.674,561 149.688,562 0.028,563 -0.07,564 0.134,565 -0.006,566 -0.032,567 0.029,568 -0.088,569 0.002,570 -0.015,571 0.028,572 0.018,573 0.031,574 -0.13,575 -0.03,576 -0.086,577 -0.045,578 -0.053,579 -0.097,580 0.037,581 -0.158,582 -0.141,583 -0.18,584 0.029,585 -0.191,586 0.077,587 0.014,588 0.076,589 0.014,590 0.06,591 0.138,592 -0.158,593 0.085,594 -0.071,595 0.087,596 -0.176,597 0.008,598 -0.029,599 -0.06,600 -0.174,601 -0.16,602 -0.05,603 -0.205,604 0.013,605 -0.054,606 0.029,607 -0.021,609 0.008,610 2.283,611 5.775,612 0.724,613 29.924,614 0.999,615 1.126,616 3.065,617 9.397,618 0.668,619 3.497,620 3.829,621 4.094,622 4.317,623 4.533,624 4.522,625 4.575,626 4.673,627 4.7,628 4.779,629 7.443,630 0.623,631 414.59,632 3.497,633 5.043,634 5.894,635 6.774,636 7.642,637 8.524,638 9.397,639 10.28,640 11.156,641 12.04,642 3.6,645 1,649 1,653 2,654 9,656 1,659 3,661 16,669 1,670 56,672 17,673 2,674 32,676 59,677 23,678 14,679 4,680 8,683 4,684 5,691 2,692 1,694 3,696 14,697 9,698 1,699 1,703 1,708 1,710 1,711 1,713 27,714 4,715 1,716 6,717 1,720 2,721 0.75,722 2,729 1,732 1,733 3,735 1,749 1,752 1,753 3,755 1,757 1,759 1,761 29,763 1,766 7,768 1,771 1,772 1,777 1,778 3.6,781 1,782 1,785 14.583,786 10.093,787 6.417,788 3.357,789 2.776,790 1.364,791 0.99,792 6.261,793 10.402,794 3.738,795 4.314,796 4.87,797 5.413,798 5.874,799 6.022,800 6.311,801 6.569,802 6.372,803 6.45,804 1,805 45,806 10.85,807 4.701,808 7.717,809 21.064,810 17.938,811 2.217,812 64.306,813 1,814 1,815 306.049,816 148.268,817 19.91,819 33.156,820 14.96,821 19.133,822 129.135,823 339.205,824 34.87,825 10.883,826 14.82,827 103.99,828 33.156,829 36.34,830 28.875,831 294.278,833 306.049,834 149.045,835 48.116,836 19.133,838 250.382,839 92.783,840 11,841 34.73,842 114.315,844 19.133,845 321.009,846 53.066,847 148.268,850 325.181,851 33.395,852 98.865,853 16.786,854 48.116,855 306.049,856 68.026,857 148.268,859 0.582,860 0.346,861 0.18,862 0.099,863 22,864 9,865 0.119,866 7,867 1,868 1.095,869 4.147,870 250.167,871 0.095,872 21,873 132.881,876 1,878 20.43,879 8.887,880 4.672,881 1.938,882 51.241,883 16.469,885 3.223,888 1.804,890 16.786,891 522.343,892 41,896 12.775,901 -1.061,902 55.934,903 63.073,904 0.273,905 0.604,906 0.794,907 0.872,908 0.881,909 0.881,910 4.984,911 1.271,912 5.9,913 4.07,914 4.511,915 5.001,916 3.037,917 6.739,918 4.396,919 6.186,920 1.064,921 7.483,922 3.448,923 4.205,924 4.82,925 0.325,926 7.968,927 3.998,928 7.503,929 1,930 9.176,931 2.546,932 6.18,933 7.187,934 5.037,935 10.968,936 5.958,937 8.857,938 1,939 10.941,940 2.372,941 6.723,942 7.859,943 0.268,944 13.052,945 6.418,946 10.244,947 0.908,948 12.753,949 2.136,950 8.177,951 9.711,952 7.186,953 15.665,954 7.856,955 11.654,956 0.628,957 14.6,958 2.07,959 9.083,960 10.793,961 0.188,962 18.039,963 8.692,964 13.082,965 0.413,966 16.471,967 1.373,968 10.354,969 12.437,970 9.348,971 20.569,972 9.937,973 3.366,974 -0.044,975 18.361,976 0.681,977 11.419,978 13.727,979 0.125,980 23.042,981 10.941,982 3.088,983 12.703,984 20.266,985 -0.101,986 12.627,987 15.282,988 11.511,989 25.561,990 12.113,991 2.725,992 10.345,993 22.182,994 4.502,995 13.761,996 16.678,997 0.082,998 28.069,999 13.191,1000 2.421,1001 8.461,1002 24.106,1003 3.698,1004 14.951,1005 18.196,1006 13.675,1007 30.593,1008 14.337,1009 2.236,1010 6.925,1011 26.038,1012 3.316,1013 16.116,1014 19.645,1015 0.054,1016 33.115,1017 15.447,1018 1.904,1019 6.157,1020 27.976,1021 3.065,1022 17.304,1023 21.15,1024 15.838,1025 35.644,1026 16.585,1027 1.752,1028 5.681,1029 29.919,1030 2.674,1031 18.485,1032 22.625,1033 0.035,1034 38.175,1035 17.709,1036 11343,1037 18481,1038 21.553,1039 37.404,1040 47.924,1041 50.392,1042 49.985,1043 47.645,1044 47.55,1045 60.503,1046 9.22,1047 137.932,1048 44.793,1049 5.547,1050 6.798,1051 7.019,1052 5.41,1053 5.366,1054 7.502,1055 5.9,1056 19.445,1057 5.159,1058 12.309,1059 1.498,1060 1.575,1061 1.562,1062 1.489,1063 1.486,1064 1.891,1065 0.288,1066 4.31,1067 1.4,1068 4.134,1069 4.168,1070 4.357,1071 4.048,1072 8.201,1073 4.054,1074 3.97,1075 3.991,1076 4.09,1077 3.951,1078 7.396,1079 3.894,1080 3.843,1081 3.887,1082 3.748,1083 3.719,1084 4.931,1085 3.718,1086 3.548,1087 3.595,1088 3.61,1089 3.435,1090 4.727,1091 3.412,1092 3.409,1093 3.454,1094 3.418,1095 3.319,1096 4.646,1097 3.258,1098 3.258,1099 3.285,1100 3.224,1101 3.081,1102 4.229,1103 3.067,1104 3.174,1105 3.261,1106 2.975,1107 2.941,1108 4.128,1109 2.91,1110 3.111,1111 3.206,1112 2.866,1113 2.91,1114 3.816,1115 2.909,1116 0.142,1117 0.15,1118 0.226,1119 0.135,1120 0.105,1121 4.547,1122 0.141,1123 4.798,1124 0.092,1125 7.217,1126 0.397,1127 4.306,1128 0.099,1129 3.366,1130 4.502,1131 2.95,1132 12.703,1133 3.159,1134 1.94,1135 1.919,1136 2.057,1137 2.055,1138 1.448,1139 2.068,1140 1.922,1141 1.907,1142 2.003,1143 2.01,1144 1.228,1145 2.013,1146 1.831,1147 1.785,1148 1.982,1149 1.952,1150 1.118,1151 1.975,1152 1.623,1153 1.573,1154 1.809,1155 1.798,1156 1.02,1157 1.807,1158 1.363,1159 1.325,1160 1.587,1161 1.597,1162 0.825,1163 1.602,1164 1.183,1165 1.139,1166 1.513,1167 1.442,1168 0.808,1169 1.477,1170 1.153,1171 1.064,1172 1.486,1173 1.376,1174 0.575,1175 1.429,1176 1.149,1177 1.063,1178 1.372,1179 1.366,1180 0.555,1181 1.417,1182 4.174,1183 5.501,1184 2.398,1185 7.027,1186 4.727,1187 8.637,1188 6.823,1189 10.29,1191 1.734,1193 13.577,1197 5.885,1199 5.874,1202 2.417,1203 -0.332,1206 34.891,1207 88.788,1208 196.441,1209 258.192,1210 283.702,1211 286.457,1212 286.457,1213 59.559,1214 7.626,1215 45.33,1216 64.54,1217 23,1218 12.575,1219 4.17,1220 3.322,1221 44.984,1222 133,1223 113,1224 0.166,1225 215.239,1226 370,1227 516.944,1228 23297,1229 1.8,1230 20.269,1231 0.699,1232 0.604,1233 19.688,1234 17.512,1235 14.083,1236 0.44,1237 0.355,1238 10.035,1239 12.947,1240 9.665,1241 7.951,1242 14.349,1243 11.369,1244 12.633,1245 0.281,1246 0.205,1247 12.826,1248 9.237,1249 10.895,1250 0.185,1251 0.129,1252 11.499,1253 7.614,1254 8.707,1255 0.118,1256 0.076,1257 9.501,1258 5.634,1259 7.136,1260 0.078,1261 0.045,1262 7.64,1263 4.147,1264 0.267,1265 94.665,1266 0.215,1267 27.992,1268 0.437,1269 154,1270 454.421,1271 195.693,1272 432.721,1273 580.29,1274 404,1275 181,1276 395.026,1277 224.336,1278 419.992,1279 605.96,1280 393,1281 9.7}
{0 CHEMBL2111522,1 1.538,2 12.485,3 5.522,4 30.489,5 136.103,6 7.432,7 0.343,8 4.247,9 4.372,10 3.801,11 3.805,12 5.296,13 3.746,14 4.813,15 5.01,16 4.152,17 4.22,18 5.721,19 4.126,20 5.133,21 5.357,22 4.371,23 4.426,24 6.053,25 4.296,26 5.274,27 5.52,28 4.189,29 4.425,30 6.186,31 4.279,32 5.318,33 5.586,34 4.163,35 4.433,36 6.167,37 4.272,38 5.32,39 5.594,40 4.193,41 4.443,42 6.152,43 4.268,44 5.244,45 5.51,46 4.238,47 4.416,48 6.11,49 4.258,50 5.154,51 5.383,52 4.293,53 4.422,54 6.106,55 4.268,56 0.087,57 0.901,58 14.293,59 6.371,60 15.723,61 8.733,62 0.224,63 1.476,64 28.252,65 10.659,66 21.652,67 15.072,68 0.316,69 1.875,70 46.792,71 15.301,72 46.899,73 21.24,74 0.496,75 2.05,76 50.169,77 16.485,78 78.444,79 22.996,80 0.569,81 2.109,82 52.58,83 17.511,84 75.534,85 24.562,86 0.573,87 2.057,88 56.713,89 18.21,90 74.128,91 25.626,92 0.617,93 1.926,94 54.494,95 16.572,96 65.626,97 23.403,98 0.447,99 1.787,100 49.063,101 16.329,102 63.334,103 22.266,104 42,105 47,106 0.246,107 0.539,108 0.732,109 0.812,110 0.844,111 0.857,112 3.532,113 1.06,114 -5.91,115 -5.77,116 -5.37,119 39.4,120 1,121 4,122 2,124 1,125 4,132 8,133 2,134 2,143 1,144 1,153 1,155 14,157 1,158 8,163 15,166 11,170 2,173 15,176 8,181 3,183 9,185 2,186 8,193 9,196 5,198 1,203 12,205 1,206 7,214 16,218 6,223 1,224 15,227 6,231 1,234 14,238 2367,239 22.223,240 22.223,241 22.223,242 22.223,243 22.223,244 20.177,245 26.591,246 13.074,247 22.724,248 17.066,249 17.066,250 17.066,251 17.066,252 17.066,253 14.232,254 31.296,255 5.985,256 17.926,257 4.507,258 2.679,259 1.474,260 0.97,261 0.773,262 0.69,263 4.211,264 2,267 1,268 857,269 4.472,272 399.753,277 1.772,278 28.822,280 0.75,281 0.67,282 0.83,283 1,284 1,285 1,286 1,287 0.89,288 70.167,289 412,290 4.282,291 3.809,292 6.364,293 3.981,294 3.005,295 3.899,296 2.16,297 9.597,298 2.938,299 4.21,300 3.682,301 6.186,302 3.847,303 2.875,304 3.711,305 1.2,306 9.103,307 2.809,308 4.034,309 3.344,310 6.126,311 3.824,312 2.848,313 3.249,314 0.8,315 8.949,316 2.786,317 3.777,318 3.019,319 5.804,320 3.467,321 2.56,322 3.036,323 0.466,324 7.755,325 2.26,326 3.467,327 2.96,328 5.321,329 3.305,330 2.38,331 2.711,332 0.293,333 6.882,334 2.16,335 3.433,336 2.711,337 5.076,338 3.057,339 2.096,340 2.49,342 5.824,343 1.983,344 2.885,345 2.267,346 4.384,347 2.575,348 1.597,349 1.984,351 4.153,352 1.545,353 2.819,354 2.147,355 4.306,356 2.492,357 1.509,358 1.945,360 3.897,361 1.471,362 2.753,363 2.033,364 4.033,365 2.311,366 1.414,367 1.75,369 3.508,370 1.27,371 2.579,372 1.7,373 3.755,374 2.284,375 1.317,376 1.569,378 3.086,379 1.192,380 2.5,381 1.445,382 3.414,383 2,384 1,385 1.5,387 2.275,388 1,389 2.149,390 1.323,391 3.306,392 1.984,393 1,394 1,396 2.136,397 0.983,398 2,399 1.077,400 3.247,401 1.75,402 0.726,403 0.928,405 1.751,406 0.735,407 1.752,408 1,409 3.064,410 1.604,411 0.618,412 0.664,414 1.076,415 0.609,416 1.589,417 0.801,418 2.618,419 1.447,420 0.465,421 0.518,423 0.791,424 0.445,425 16.295,426 0.494,427 0.75,428 0.023,429 35.25,430 1.068,431 15,432 0.455,433 20.25,434 0.614,435 37.667,436 1.141,437 37.105,438 0.562,439 27.074,440 0.82,441 6.722,442 0.204,443 9.201,444 0.279,445 0.19,447 0.295,450 0.627,451 1.355,452 0.668,453 1.034,454 0.6,455 1.02,456 0.707,457 1.086,458 0.725,459 0.897,460 0.48,461 0.948,462 0.739,463 1.172,464 0.794,465 1.041,466 0.614,467 1.041,468 1.17,469 1.11,470 0.881,471 1.006,472 1.276,473 1.051,474 1,475 0.947,476 0.765,477 0.892,478 1.06,479 0.952,480 0.842,481 0.972,482 0.854,483 0.934,484 0.882,485 0.944,486 0.884,487 0.837,488 0.947,489 0.879,490 0.864,491 0.892,492 0.833,493 1.054,494 1.037,495 1.102,496 0.857,497 1.086,498 6.5,499 0.223,500 4.444,501 1.875,502 1.587,503 1.243,504 0.811,505 0.502,506 0.476,507 0.372,508 14825,509 41323,510 1.994,511 50,512 3,513 19,516 1,517 3,518 7,520 1.757,521 1.85,522 3.588,523 -0.382,527 101.499,528 1.538,529 3.366,530 4.57,531 5.074,532 5.271,533 5.355,534 3.037,535 4.681,536 5.013,537 3.792,538 2001.93,539 8.808,540 30917.2,544 398.93,545 1.462,546 4.964,547 0.186,548 0.006,549 0.095,550 0.037,551 0.035,552 0.028,553 0.018,554 0.011,555 0.01,556 0.009,557 0.435,558 0.33,559 0.75,560 0.998,561 176.167,562 0.067,563 -0.101,564 0.018,565 -0.007,566 0.041,568 -0.01,569 0.089,570 0.026,571 0.074,572 0.043,573 0.038,574 0.034,575 -0.106,576 0.074,577 -0.055,578 0.087,579 -0.046,580 -0.136,581 -0.093,582 -0.083,583 -0.075,584 -0.106,585 -0.099,586 -0.057,587 0.038,588 -0.001,589 0.029,590 -0.075,591 0.002,592 0.02,593 -0.021,594 0.029,595 0.023,596 -0.019,597 0.035,598 0.013,599 0.148,600 0.024,601 0.087,602 -0.017,603 0.086,604 0.037,605 -0.054,606 -0.021,607 -0.077,608 0.007,609 -0.072,610 1.656,611 5.932,612 0.545,613 37.036,614 0.996,615 1.128,616 4.68,617 21.906,618 0.664,619 3.584,620 3.871,621 4.111,622 4.248,623 4.431,624 4.431,625 4.511,626 4.533,627 4.605,628 4.71,629 7.598,630 0.615,631 490.52,632 3.584,633 5.106,634 5.938,635 6.786,636 7.631,637 8.482,638 9.332,639 10.184,640 11.036,641 11.89,642 4.5,645 1,648 1,650 1,654 8,659 4,661 12,663 1,669 2,670 66,672 14,673 2,674 35,676 68,677 26,678 12,679 4,680 8,681 1,683 3,684 3,685 2,688 1,691 2,692 1,694 4,696 14,697 12,698 2,699 2,703 1,706 1,707 2,713 33,714 5,715 1,716 7,717 2,720 3,721 1,722 2,733 3,739 1,749 1,751 1,753 3,757 2,758 2,761 33,765 1,766 8,770 2,771 2,777 2,778 3,781 1,783 1,785 17.833,786 12.086,787 7.556,788 4.242,789 1.54,790 1.214,791 0.926,792 9.904,793 8.732,794 3.784,795 4.277,796 4.736,797 5.097,798 5.516,799 5.482,800 5.616,801 5.637,802 5.833,803 6.096,804 1,805 51,806 12.234,807 5.067,808 7.709,809 23.747,810 19.463,811 2.209,812 72.889,815 376.675,816 132.426,817 19.496,818 78.297,819 67.951,822 132.426,823 522.923,824 19.496,825 17.222,826 21.685,827 75.81,828 32.606,829 72.55,831 376.675,832 78.297,833 376.675,834 151.922,835 67.951,836 78.297,838 294.278,839 150.348,841 46.882,842 105.04,843 78.297,845 376.675,846 87.447,847 210.724,850 376.675,851 39.395,852 99.28,854 159.495,855 376.675,856 87.447,857 210.724,859 0.574,860 0.346,861 0.169,862 0.087,863 19,864 10,865 0.132,866 9,868 1,869 4.326,870 288.046,872 18,873 156.465,878 25.862,879 12.637,880 7.113,882 87.447,883 15.129,888 2.847,890 42.806,891 674.846,892 43,896 12.932,899 3.496,900 0.918,902 65.745,903 74.445,904 0.254,905 0.557,906 0.756,907 0.839,908 0.872,909 0.886,910 5.017,911 1.509,912 5.911,913 4.153,914 4.554,915 4.963,916 2.637,917 6.681,918 4.465,919 6.181,920 1.414,921 7.458,922 3.897,923 4.111,924 4.635,925 1.45,926 7.532,927 3.921,928 7.46,929 1.317,930 9.103,931 3.508,932 6.12,933 6.991,934 3.723,935 10.572,936 5.963,937 8.769,938 1,939 10.806,940 3.086,941 6.494,942 7.467,943 3.056,944 12.209,945 6.26,946 10.11,947 1,948 12.543,949 2.275,950 7.955,951 9.309,952 5.088,953 14.754,954 7.742,955 11.471,956 0.726,957 14.303,958 2.136,959 8.691,960 10.157,961 4.759,962 16.708,963 8.428,964 12.847,965 0.618,966 16.078,967 1.751,968 9.929,969 11.777,970 6.533,971 19.071,972 9.67,973 3.005,974 0.465,975 17.865,976 1.076,977 10.837,978 12.823,979 6.442,980 21.167,981 10.545,982 2.875,983 9.597,984 19.66,985 0.791,986 11.977,987 14.329,988 8.007,989 23.455,990 11.681,991 2.848,992 9.103,993 21.461,994 3.899,995 12.968,996 15.489,997 8.092,998 25.619,999 12.648,1000 2.56,1001 8.949,1002 23.267,1003 3.711,1004 14.067,1005 16.93,1006 9.495,1007 27.875,1008 13.737,1009 2.38,1010 7.755,1011 25.077,1012 3.249,1013 15.099,1014 18.16,1015 9.715,1016 30.073,1017 14.749,1018 2.096,1019 6.882,1020 26.891,1021 3.036,1022 16.181,1023 19.563,1024 10.991,1025 32.317,1026 15.818,1027 1.597,1028 5.824,1029 28.707,1030 2.711,1031 17.234,1032 20.836,1033 11.319,1034 34.533,1035 16.851,1036 14632,1037 24620,1038 22.77,1039 43.824,1040 51.734,1041 54.978,1042 53.572,1043 51.315,1044 50.974,1045 62.086,1046 9.838,1047 141.894,1048 48.466,1049 5.282,1050 5.809,1051 6.166,1052 5.016,1053 5.005,1054 6.899,1055 4.106,1056 16.398,1057 4.938,1058 19.057,1059 1.478,1060 1.571,1061 1.531,1062 1.466,1063 1.456,1064 1.774,1065 0.281,1066 4.054,1067 1.385,1068 4.003,1069 4.041,1070 4.123,1071 3.93,1072 7.428,1073 3.923,1074 3.902,1075 3.939,1076 3.876,1077 3.842,1078 6.543,1079 3.837,1080 3.882,1081 3.916,1082 3.796,1083 3.761,1084 5.04,1085 3.758,1086 3.641,1087 3.697,1088 3.611,1089 3.505,1090 4.728,1091 3.498,1092 3.553,1093 3.625,1094 3.435,1095 3.361,1096 4.491,1097 3.361,1098 3.385,1099 3.457,1100 3.4,1101 3.198,1102 4.416,1103 3.201,1104 3.131,1105 3.206,1106 3.317,1107 2.953,1108 4.313,1109 2.945,1110 3.111,1111 3.205,1112 3.101,1113 2.941,1114 4.147,1115 2.91,1116 0.122,1117 0.109,1118 0.182,1119 0.114,1120 0.086,1121 4.282,1122 0.111,1123 3.809,1124 0.062,1125 6.364,1126 0.274,1127 3.981,1128 0.084,1129 3.005,1130 3.899,1131 2.16,1132 9.597,1133 2.938,1134 1.948,1135 1.922,1136 2.087,1137 2.068,1138 1.456,1139 2.079,1140 1.898,1141 1.873,1142 2.034,1143 2.016,1144 1.349,1145 2.024,1146 1.865,1147 1.815,1148 2.002,1149 1.966,1150 1.081,1151 1.983,1152 1.62,1153 1.567,1154 1.836,1155 1.791,1156 1.039,1157 1.809,1158 1.524,1159 1.453,1160 1.766,1161 1.742,1162 0.965,1163 1.756,1164 1.372,1165 1.298,1166 1.664,1167 1.595,1168 0.848,1169 1.627,1170 1.153,1171 1.064,1172 1.513,1173 1.376,1174 0.825,1175 1.429,1176 1.102,1177 1.033,1178 1.409,1179 1.358,1180 0.613,1181 1.371,1182 4.263,1183 5.557,1185 7.048,1187 8.62,1189 10.229,1191 3.891,1192 12.472,1196 9.221,1197 7.218,1201 0.511,1202 4.255,1206 40.578,1207 101.499,1208 222.136,1209 301.646,1210 334.891,1211 347.91,1212 353.42,1213 83.276,1214 7.191,1215 56.14,1216 56.14,1217 18,1218 12.445,1219 3.907,1220 3.17,1221 63.935,1222 141,1223 161,1224 0.204,1225 259.613,1226 459.36,1227 625.216,1228 11739,1229 3,1230 23.794,1231 0.721,1232 0.633,1233 24.794,1234 20.895,1235 15.922,1236 0.455,1237 0.353,1238 11.565,1239 14.919,1240 11.166,1241 9.269,1242 16.5,1243 12.367,1244 13.693,1245 0.291,1246 0.204,1247 14.434,1248 9.586,1249 11.823,1250 0.197,1251 0.123,1252 12.738,1253 7.359,1254 8.734,1255 0.127,1256 0.071,1257 9.12,1258 4.92,1259 6.715,1260 0.081,1261 0.042,1262 7.113,1263 3.514,1264 0.322,1265 104.998,1266 0.21,1267 30.847,1268 0.555,1269 164,1270 441.227,1271 204.243,1272 491.204,1273 637.33,1274 454,1275 189,1276 410.163,1277 226.656,1278 437.441,1279 627.96,1280 409,1281 8.8}
{0 CHEMBL2113292,1 1.513,2 14.714,3 4.307,4 18.549,5 168.42,6 6.94,7 0.348,8 4.511,9 4.644,10 4.04,11 4.066,12 5.494,13 4.006,14 5.103,15 5.294,16 4.434,17 4.502,18 6.043,19 4.406,20 5.445,21 5.686,22 4.498,23 4.643,24 6.368,25 4.514,26 5.524,27 5.789,28 4.426,29 4.614,30 6.463,31 4.488,32 5.449,33 5.683,34 4.471,35 4.596,36 6.58,37 4.479,38 5.517,39 5.772,40 4.537,41 4.64,42 6.52,43 4.518,44 5.503,45 5.743,46 4.474,47 4.651,48 6.511,49 4.539,50 5.499,51 5.735,52 4.479,53 4.686,54 6.542,55 4.567,56 0.073,57 1.258,58 20.094,59 8.331,60 12.17,61 11.398,62 0.363,63 2.112,64 38.675,65 14.408,66 41.062,67 20.145,68 0.694,69 2.7,70 58.652,71 19.025,72 72.565,73 27.001,74 0.728,75 2.696,76 63.6,77 19.877,78 91.095,79 28.003,80 0.858,81 2.536,82 57.499,83 19.078,84 156.536,85 26.426,86 0.8,87 2.719,88 65.88,89 20.499,90 110.512,91 28.325,92 0.717,93 2.701,94 62.454,95 20.165,96 100.362,97 27.66,98 0.795,99 2.706,100 59.279,101 20.131,102 133.153,103 28.144,104 26,105 64,106 0.228,107 0.521,108 0.716,109 0.828,110 0.845,111 0.845,112 3.765,113 1.047,114 -3.9,115 -3.85,116 -3.66,119 38.8,120 2,121 6,125 4,126 3,127 1,132 10,133 2,141 2,144 3,155 15,158 1,160 3,162 6,163 19,166 7,168 3,169 2,170 8,173 11,176 8,179 1,181 6,183 4,185 2,186 7,189 2,191 9,193 9,195 1,196 10,198 1,199 1,200 10,203 11,206 9,209 1,210 1,211 8,214 14,217 1,218 5,221 1,223 5,224 22,226 1,227 10,229 1,231 5,234 16,238 4372,239 28.299,240 28.299,241 28.299,242 28.299,243 28.299,244 26.073,245 30.577,246 16.851,247 28.736,248 22.725,249 22.725,250 22.725,251 22.725,252 22.725,253 19.276,254 42.028,255 8.027,256 23.44,257 4.896,258 2.946,259 1.651,260 0.907,261 0.794,262 0.794,263 4.464,267 1,268 1342,269 5.05,271 256.882,272 505.556,274 224.66,277 2.32,278 46.649,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 89.5,289 618,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.72,301 6.335,302 3.969,303 3.026,304 3.69,305 1.925,306 9.735,307 2.849,308 4.026,309 3.532,310 6.074,311 3.814,312 2.824,313 3.467,314 1.058,315 8.815,316 2.79,317 3.83,318 3.032,319 5.792,320 3.708,321 2.768,322 3.214,323 0.8,324 7.92,325 2.6,326 3.78,327 2.891,328 5.663,329 3.435,330 2.442,331 3.044,332 0.4,333 7.733,334 2.412,335 3.765,336 2.764,337 5.294,338 3.403,339 2.404,340 2.769,341 0.343,342 6.768,343 2.393,344 3.108,345 2.693,346 4.898,347 2.993,348 2.059,349 2.298,350 0.14,351 5.626,352 1.923,353 3.049,354 2.346,355 4.866,356 2.856,357 1.879,358 2.226,360 4.963,361 1.833,362 3.032,363 2.008,364 4.618,365 2.81,366 1.817,367 2.123,369 4.88,370 1.793,371 2.982,372 1.982,373 4.414,374 2.555,375 1.567,376 2.053,378 4.312,379 1.544,380 2.92,381 1.782,382 4.206,383 2.515,384 1.532,385 2.044,387 3.625,388 1.51,389 2.879,390 1.677,391 4.135,392 2.457,393 1.511,394 1.879,396 3.556,397 1.399,398 2.585,399 1.532,400 3.626,401 2.385,402 1.402,403 1.561,405 3.009,406 1.373,407 2.536,408 1.491,409 3.618,410 2.24,411 1.259,412 1.521,414 2.865,415 1.227,416 2.5,417 1.418,418 3.592,419 2.014,420 1.033,421 1.5,423 2.523,424 1,425 20.333,426 0.484,427 1.035,428 0.025,429 45,430 1.071,431 18.5,432 0.44,433 26.5,434 0.631,435 50.919,436 1.212,437 46.867,438 0.551,439 38.341,440 0.913,441 8.189,442 0.195,443 12.12,444 0.289,445 0.098,446 0.025,447 0.266,450 0.742,451 1.302,452 0.851,453 1.054,454 0.552,455 1.023,456 0.694,457 1.203,458 0.909,459 1.033,460 0.512,461 1.042,462 0.981,463 1.064,464 1.03,465 1.056,466 0.88,467 1.047,468 1.423,469 0.89,470 0.981,471 0.86,472 1.406,473 0.866,474 1.292,475 1.07,476 0.962,477 0.981,478 1.401,479 1.002,480 1.296,481 0.967,482 0.993,483 0.949,484 1.384,485 0.871,486 1.511,487 0.979,488 1.095,489 0.983,490 1.602,491 0.953,492 1.36,493 0.94,494 0.982,495 0.898,496 1.415,497 0.974,498 9.5,499 0.296,500 4.444,501 3.042,502 2.757,503 1.191,504 1.082,505 0.825,506 0.416,507 0.435,508 31386,509 68800,510 2.082,511 50.6,512 4,513 21,516 4,518 12,519 2,520 1.816,521 1.961,522 3.808,523 1.368,527 128.639,528 1.513,529 3.463,530 4.759,531 5.502,532 5.615,533 5.615,534 3.255,535 4.726,536 5.361,537 4.055,538 3491.2,539 9.507,540 64308,544 544.798,545 1.446,546 5.325,547 0.207,548 0.005,549 0.069,550 0.048,551 0.045,552 0.019,553 0.016,554 0.012,555 0.006,556 0.007,557 0.436,558 0.17,559 0.63,560 0.494,561 241.626,562 -0.039,563 -0.053,564 0.06,565 0.039,566 -0.024,567 0.041,568 0.106,569 -0.042,570 0.049,571 0.005,572 0.071,573 -0.021,574 0.049,575 -0.001,576 -0.022,577 -0.073,578 -0.001,579 -0.074,580 -0.117,581 0.088,582 0.018,583 0.069,584 -0.079,585 0.077,586 0.104,587 -0.081,588 0.011,589 -0.032,590 0.164,591 -0.042,592 0.015,593 0.023,594 0.091,595 0.048,596 -0.002,597 0.091,598 -0.129,599 0.028,600 -0.068,601 -0.011,602 -0.109,603 0.005,604 -0.077,605 0.062,606 -0.057,607 0.038,608 -0.018,609 -0.01,610 2.28,611 6.894,612 0.619,613 57.057,614 0.992,615 1.129,616 2.667,617 7.113,618 0.653,619 3.85,620 4.174,621 4.419,622 4.663,623 4.812,624 4.836,625 4.883,626 5.024,627 5.043,628 5.069,629 9.009,630 0.605,631 589.88,632 3.85,633 5.398,634 6.24,635 7.117,636 7.977,637 8.858,638 9.726,639 10.61,640 11.484,641 12.371,642 5.9,644 1,645 1,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 85,672 19,673 2,674 46,676 89,677 33,678 14,679 3,680 9,681 1,683 5,684 6,688 2,691 6,692 1,694 9,696 17,697 16,698 1,699 3,703 3,707 3,713 43,714 8,715 4,716 9,717 1,720 5,721 0.8,722 3,732 2,733 3,735 1,742 2,748 1,749 1,753 4,755 1,757 2,761 42,766 10,767 4,770 3,771 1,772 1,774 1,778 3.5,781 3,785 21.417,786 15.2,787 9.208,788 5.474,789 2.19,790 1.278,791 0.961,792 10.433,793 10.079,794 4.06,795 4.572,796 5.054,797 5.545,798 5.983,799 6.153,800 6.418,801 6.786,802 6.72,803 6.797,804 0.9,805 63,806 15.807,807 6.891,808 7.661,809 30.674,810 26.072,811 2.161,812 90.75,815 459.073,816 189.297,817 75.167,819 75.435,821 31.278,822 158.02,823 534.508,824 75.167,825 17.65,826 77.662,827 112.773,828 89.549,829 8.883,830 2.104,831 490.351,833 459.073,834 233.187,835 75.435,836 31.278,838 294.278,839 240.23,841 116.448,842 116.739,844 31.278,845 459.073,846 150.602,847 189.297,850 459.073,851 76.884,852 115.537,853 72.043,854 75.435,855 459.073,856 150.602,857 189.297,859 0.58,860 0.335,861 0.182,862 0.094,863 29,864 13,865 0.124,866 11,867 1,868 1.077,869 5.127,870 420.298,871 0.077,872 26,873 212.477,874 1,878 30.809,879 14.223,880 8.06,881 2.047,882 150.602,883 19.501,887 1.426,888 1.554,890 72.043,891 798.972,892 57,896 40.728,900 -0.721,902 84.356,903 95.929,904 0.236,905 0.54,906 0.742,907 0.858,908 0.876,909 0.876,910 5.318,911 1.879,912 6.236,913 5.626,914 4.86,915 5.26,916 2.874,917 7.06,918 4.799,919 6.494,920 1.817,921 7.807,922 4.963,923 4.511,924 5.027,925 2.221,926 8.215,927 4.426,928 7.791,929 1.567,930 9.491,931 4.88,932 6.494,933 7.336,934 3.768,935 11.286,936 6.371,937 9.122,938 1.532,939 11.252,940 4.312,941 7.004,942 7.958,943 3.792,944 13.396,945 6.859,946 10.491,947 1.511,948 13.068,949 3.625,950 8.469,951 9.773,952 4.92,953 16.088,954 8.292,955 11.887,956 1.402,957 14.927,958 3.556,959 9.371,960 10.806,961 5.25,962 18.547,963 9.174,964 13.304,965 1.259,966 16.82,967 3.009,968 10.655,969 12.423,970 6.171,971 21.171,972 10.432,973 3.503,974 1.033,975 18.741,976 2.865,977 11.734,978 13.669,979 6.658,980 23.745,981 11.494,982 3.026,983 13.895,984 20.683,985 2.523,986 12.962,987 15.201,988 7.469,989 26.364,990 12.701,991 2.824,992 9.735,993 22.642,994 4.425,995 14.122,996 16.558,997 8.038,998 28.975,999 13.845,1000 2.768,1001 8.815,1002 24.616,1003 3.69,1004 15.339,1005 18.054,1006 8.789,1007 31.6,1008 15.045,1009 2.442,1010 7.92,1011 26.601,1012 3.467,1013 16.537,1014 19.47,1015 9.404,1016 34.223,1017 16.228,1018 2.404,1019 7.733,1020 28.596,1021 3.214,1022 17.759,1023 20.954,1024 10.121,1025 36.851,1026 17.435,1027 2.059,1028 6.768,1029 30.598,1030 3.044,1031 18.977,1032 22.402,1033 10.762,1034 39.479,1035 18.638,1036 29414,1037 43882,1038 30.8,1039 55.506,1040 69.342,1041 70.834,1042 70.728,1043 68.327,1044 68.325,1045 83.124,1046 13.302,1047 195.026,1048 66.331,1049 5.588,1050 6.089,1051 7.429,1052 5.604,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 20.036,1059 1.507,1060 1.54,1061 1.538,1062 1.485,1063 1.485,1064 1.807,1065 0.289,1066 4.24,1067 1.442,1068 4.092,1069 4.105,1070 4.335,1071 4.109,1072 7.436,1073 4.056,1074 3.968,1075 4.006,1076 3.898,1077 3.88,1078 7.427,1079 3.875,1080 3.889,1081 3.949,1082 3.803,1083 3.789,1084 7.422,1085 3.785,1086 3.879,1087 3.927,1088 3.765,1089 3.701,1090 4.859,1091 3.707,1092 3.688,1093 3.747,1094 3.594,1095 3.497,1096 4.751,1097 3.51,1098 3.517,1099 3.587,1100 3.499,1101 3.396,1102 4.482,1103 3.373,1104 3.483,1105 3.509,1106 3.365,1107 3.348,1108 4.325,1109 3.342,1110 3.367,1111 3.452,1112 3.183,1113 3.217,1114 4.191,1115 3.19,1116 0.1,1117 0.089,1118 0.166,1119 0.098,1120 0.076,1121 4.588,1122 0.096,1123 4.089,1124 0.043,1125 7.627,1126 0.302,1127 4.486,1128 0.075,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.902,1136 2.058,1137 2.051,1138 1.356,1139 2.055,1140 1.919,1141 1.897,1142 2.04,1143 2.025,1144 1.253,1145 2.033,1146 1.834,1147 1.765,1148 2.007,1149 1.972,1150 1.211,1151 1.991,1152 1.729,1153 1.695,1154 1.878,1155 1.913,1156 1.192,1157 1.903,1158 1.627,1159 1.572,1160 1.86,1161 1.842,1162 1.152,1163 1.847,1164 1.577,1165 1.507,1166 1.847,1167 1.751,1168 1.135,1169 1.793,1170 1.505,1171 1.483,1172 1.733,1173 1.688,1174 0.97,1175 1.694,1176 1.44,1177 1.399,1178 1.691,1179 1.606,1180 0.891,1181 1.655,1182 4.533,1183 5.855,1184 3.045,1185 7.358,1186 5.352,1187 8.946,1188 7.424,1189 10.579,1191 4.396,1197 7.476,1198 12.766,1201 0.171,1202 2.435,1203 -1.03,1206 51.448,1207 128.639,1208 294.359,1209 404.485,1210 467.679,1211 477.288,1212 477.288,1213 109.811,1214 7.889,1215 102.57,1216 130.81,1217 28,1218 12.905,1219 4.322,1220 3.585,1221 68.59,1222 218,1223 230,1224 0.142,1225 318.168,1226 558.44,1227 768.09,1228 30520,1230 29.529,1231 0.703,1232 0.607,1233 29.882,1234 25.473,1235 20.309,1236 0.442,1237 0.349,1238 15.157,1239 19.299,1240 14.702,1241 12.181,1242 20.718,1243 16.05,1244 18.469,1245 0.289,1246 0.204,1247 19.111,1248 13.064,1249 15.075,1250 0.184,1251 0.116,1252 15.931,1253 9.497,1254 12.629,1255 0.12,1256 0.07,1257 13.471,1258 7.334,1259 9.495,1260 0.078,1261 0.038,1262 10.257,1263 4.579,1264 0.226,1265 129.934,1266 0.18,1267 37.6,1268 0.382,1269 220,1270 551.044,1271 262.563,1272 556.289,1273 754.18,1274 520,1275 256,1276 528.37,1277 297.742,1278 552.098,1279 808.47,1280 521,1281 7.6}
{0 CHEMBL2114963,1 1.653,2 14.6,3 4.548,4 20.685,5 178.641,6 8.117,7 0.36,8 4.52,9 4.613,10 4.219,11 4.091,12 5.55,13 4.05,14 5.119,15 5.273,16 4.624,17 4.538,18 6.088,19 4.478,20 5.399,21 5.553,22 4.855,23 4.778,24 6.436,25 4.692,26 5.58,27 5.762,28 4.755,29 4.841,30 6.57,31 4.729,32 5.691,33 5.92,34 4.713,35 4.82,36 6.672,37 4.701,38 5.632,39 5.864,40 4.695,41 4.791,42 6.557,43 4.661,44 5.615,45 5.844,46 4.653,47 4.757,48 6.552,49 4.632,50 5.529,51 5.742,52 4.699,53 4.748,54 6.475,55 4.619,56 0.081,57 1.124,58 17.388,59 8.631,60 12.912,61 10.272,62 0.554,63 1.93,64 39.042,65 15.104,66 40.867,67 17.808,68 0.862,69 2.482,70 58.375,71 20.955,72 68.781,73 24.838,74 0.888,75 2.919,76 67.408,77 24.938,78 97.419,79 30.413,80 1.545,81 3.12,82 75.8,83 26.243,84 142.869,85 33.917,86 1.131,87 2.949,88 75.275,89 25.266,90 108.669,91 32.952,92 1.34,93 2.805,94 79.763,95 24.215,96 125.841,97 30.611,98 1.147,99 2.599,100 69.77,101 23.469,102 107.572,103 29.774,104 59,105 74,106 0.249,107 0.53,108 0.706,109 0.799,110 0.83,111 0.848,112 3.832,113 1.031,114 -4.36,115 -4.29,116 -4.05,119 41,121 3,124 3,125 7,127 2,132 9,133 4,134 5,144 1,155 11,157 1,158 9,163 15,165 3,166 16,173 15,175 2,176 10,183 9,185 7,186 11,193 5,195 2,196 11,203 10,205 1,206 8,214 11,217 2,218 9,224 8,226 2,227 13,234 12,238 4984,239 30.581,240 30.581,241 30.581,242 30.581,243 30.581,244 28.17,245 40.151,246 17.237,247 31.915,248 24.341,249 24.341,250 24.341,251 24.341,252 24.341,253 20.443,254 49.136,255 7.726,256 26.298,257 4.722,258 2.859,259 1.696,260 1.079,261 0.874,262 0.75,263 4.539,264 2,267 1,268 1436,269 4.472,271 117.564,272 778.376,274 220.02,277 2.213,278 55.538,280 0.75,281 0.67,282 0.83,283 0.9,284 1,285 0.83,286 1,287 0.85,288 97.667,289 657,290 4.8,291 5.161,292 8,293 4.599,294 3.668,295 4.173,296 3.52,297 15.268,298 3.412,299 4.615,300 3.932,301 7.657,302 4.477,303 3.521,304 4.148,305 1.2,306 14.083,307 3.362,308 4.462,309 3.664,310 6.578,311 4.075,312 3.113,313 4.01,314 1.151,315 10.438,316 3.001,317 4.097,318 3.332,319 6.306,320 3.742,321 2.795,322 3.466,323 0.86,324 9.359,325 2.639,326 3.996,327 3.307,328 5.939,329 3.582,330 2.698,331 3.323,332 0.86,333 8.107,334 2.434,335 3.786,336 3.277,337 5.913,338 3.482,339 2.522,340 3.141,341 0.86,342 8.005,343 2.3,344 3.428,345 2.77,346 5.342,347 3.242,348 2.308,349 2.604,350 0.8,351 6.863,352 2.13,353 3.355,354 2.758,355 5.26,356 2.972,357 2.061,358 2.468,359 0.57,360 6.251,361 1.884,362 3.244,363 2.555,364 5.19,365 2.961,366 2.015,367 2.401,368 0.293,369 6.118,370 1.867,371 3.125,372 2.326,373 5.126,374 2.711,375 1.804,376 2.228,378 5.307,379 1.615,380 2.971,381 2.154,382 4.963,383 2.592,384 1.648,385 2.086,387 5.072,388 1.504,389 2.839,390 2.079,391 4.148,392 2.338,393 1.414,394 1.97,396 3.518,397 1.32,398 2.819,399 1.896,400 4.045,401 2.305,402 1.354,403 1.945,405 3.022,406 1.199,407 2.524,408 1.765,409 4.003,410 2.225,411 1.294,412 1.496,414 2.958,415 1.189,416 2.462,417 1.602,418 3.821,419 2.094,420 1.138,421 1.403,423 2.871,424 1.08,425 22.062,426 0.49,427 1.201,428 0.027,429 52,430 1.156,431 22.5,432 0.5,433 29.5,434 0.656,435 55.59,436 1.235,437 49.938,438 0.602,439 47.489,440 1.055,441 10.016,442 0.223,443 11.714,444 0.26,445 0.163,446 0.045,447 0.301,450 0.707,451 1.344,452 0.653,453 1.089,454 0.577,455 0.971,456 1.11,457 0.919,458 0.801,459 0.801,460 0.692,461 0.773,462 0.946,463 1.107,464 0.933,465 1.057,466 0.884,467 1.015,468 0.986,469 1.275,470 1.001,471 1.217,472 1.217,473 1.182,474 0.883,475 0.996,476 0.738,477 0.883,478 0.99,479 0.973,480 0.831,481 1.079,482 0.855,483 0.971,484 0.818,485 1.018,486 1.212,487 0.874,488 1.058,489 0.874,490 1.314,491 0.95,492 0.899,493 0.975,494 0.963,495 0.975,496 0.976,497 1.033,498 11,499 0.473,500 7.556,501 4.424,502 3.214,503 2.444,504 1.149,505 0.832,506 0.937,507 0.668,508 35195,509 100838,510 2.082,511 45.8,513 32,519 6,520 1.832,521 1.929,522 3.775,523 -0.751,527 137.224,528 1.653,529 3.516,530 4.679,531 5.296,532 5.501,533 5.625,534 3.228,535 5.014,536 5.464,537 3.998,538 3957.7,539 9.711,540 73145.3,544 529.128,545 1.63,546 5.406,547 0.22,548 0.007,549 0.102,550 0.051,551 0.04,552 0.032,553 0.016,554 0.012,555 0.014,556 0.009,557 0.503,558 0.17,559 0.75,560 0.8,561 260.713,562 0.008,563 -0.168,564 0.077,565 -0.065,566 -0.023,567 -0.003,568 -0.127,569 0.212,570 0.047,571 0.202,572 -0.018,573 0.175,574 0.019,575 -0.019,576 -0.008,577 -0.028,578 0.039,579 -0.047,580 -0.055,581 -0.229,582 -0.146,583 -0.214,584 -0.084,585 -0.208,586 0.088,587 -0.012,588 0.021,589 0.007,590 0.047,591 -0.014,592 0.032,593 -0.09,594 0.008,595 -0.056,596 0.024,597 -0.039,598 -0.147,599 0.109,600 -0.083,601 0.046,602 -0.152,603 0.013,604 0.033,606 -0.01,607 -0.026,608 -0.039,609 -0.045,610 2.137,611 6.989,612 0.711,613 57.561,614 1.008,615 1.12,616 3.13,617 9.796,618 0.682,619 3.932,620 4.317,621 4.673,622 4.949,623 5.22,624 5.333,625 5.46,626 5.565,627 5.697,628 5.838,629 8.716,630 0.641,631 673.71,632 3.932,633 5.517,634 6.412,635 7.328,636 8.241,637 9.163,638 10.082,639 11.006,640 11.928,641 12.853,642 2.4,645 1,648 1,654 9,659 9,661 18,663 1,668 3,669 2,670 83,672 20,673 3,674 50,676 88,677 34,678 18,679 9,680 9,681 1,683 6,684 7,685 2,691 2,692 2,694 3,696 19,697 15,698 2,699 2,703 2,707 1,708 1,713 38,714 8,716 11,717 3,720 2,721 0.667,722 6,732 1,733 5,735 1,749 1,752 1,753 4,755 1,757 3,758 2,761 45,763 1,766 10,768 4,771 2,772 2,777 2,778 7.2,781 2,782 1,783 3,785 23.333,786 15.852,787 9.958,788 4.906,789 2.265,790 1.253,791 0.963,792 9.84,793 11.23,794 4.127,795 4.705,796 5.274,797 5.773,798 6.271,799 6.447,800 6.673,801 6.78,802 6.897,803 7.145,804 0.9,805 86,806 16.853,807 7.419,808 7.714,809 32.384,810 27.754,811 2.214,812 99.611,815 447.302,816 200.871,817 6.249,818 78.297,819 91.301,821 19.133,822 181.738,823 616.9,824 6.249,825 32.649,826 26.749,827 104.419,828 63.006,829 71.598,831 447.302,832 78.297,833 447.302,834 187.987,835 91.301,836 97.43,838 376.675,839 150.928,840 11,841 29.873,842 158.114,843 78.297,844 19.133,845 447.302,846 97.55,847 279.168,850 466.435,851 63.803,852 124.184,854 169.598,855 447.302,856 97.55,857 279.168,859 0.591,860 0.376,861 0.203,862 0.113,863 37,864 17,865 0.091,866 8,867 1,868 1.094,869 5.066,870 501.936,871 0.063,872 33,873 235.133,876 1,878 32.76,879 13.516,880 6.156,882 97.55,883 17.276,888 5.935,891 824.02,892 61,896 27.327,900 -0.163,901 -0.914,902 83.68,903 92.95,904 0.259,905 0.551,906 0.734,907 0.831,908 0.863,909 0.882,910 5.427,911 2.061,912 6.454,913 6.863,914 5.004,915 5.394,916 3.62,917 7.392,918 4.866,919 6.647,920 2.015,921 8.105,922 6.251,923 4.844,924 5.33,925 0.57,926 8.825,927 4.619,928 7.995,929 1.804,930 9.875,931 6.118,932 6.772,933 7.556,934 5.765,935 11.938,936 6.524,937 9.381,938 1.648,939 11.721,940 5.307,941 7.462,942 8.287,943 0.801,944 14.239,945 7.133,946 10.803,947 1.414,948 13.619,949 5.072,950 8.912,951 10.037,952 8.247,953 17.008,954 8.555,955 12.25,956 1.354,957 15.556,958 3.518,959 9.951,960 11.114,961 1.074,962 19.588,963 9.52,964 13.717,965 1.294,966 17.521,967 3.022,968 11.257,969 12.682,970 10.761,971 22.292,972 10.785,973 3.668,974 1.138,975 19.508,976 2.958,977 12.435,978 13.921,979 1.404,980 24.955,981 11.895,982 3.521,983 15.268,984 21.512,985 2.871,986 13.705,987 15.41,988 13.278,989 27.652,990 13.113,991 3.113,992 14.083,993 23.529,994 4.173,995 14.939,996 16.731,997 1.768,998 30.342,999 14.281,1000 2.795,1001 10.438,1002 25.556,1003 4.148,1004 16.204,1005 18.181,1006 15.794,1007 33.042,1008 15.488,1009 2.698,1010 9.359,1011 27.591,1012 4.01,1013 17.461,1014 19.545,1015 2.15,1016 35.741,1017 16.68,1018 2.522,1019 8.107,1020 29.633,1021 3.466,1022 18.731,1023 20.978,1024 18.311,1025 38.445,1026 17.888,1027 2.308,1028 8.005,1029 31.679,1030 3.323,1031 20,1032 22.366,1033 2.538,1034 41.15,1035 19.091,1036 32905,1037 55878,1038 32.997,1039 56.568,1040 76.11,1041 80.512,1042 81.786,1043 75.694,1044 75.534,1045 91.244,1046 20.227,1047 233.805,1048 69.909,1049 5.8,1050 7.161,1051 7.68,1052 5.711,1053 5.668,1054 7.173,1055 7.04,1056 23.343,1057 5.412,1058 25.075,1059 1.522,1060 1.61,1061 1.636,1062 1.514,1063 1.511,1064 1.825,1065 0.405,1066 4.676,1067 1.398,1068 4.1,1069 4.119,1070 4.41,1071 4.082,1072 7.428,1073 4.035,1074 4.003,1075 4.019,1076 4.128,1077 3.928,1078 7.395,1079 3.925,1080 3.923,1081 3.93,1082 3.936,1083 3.843,1084 5.048,1085 3.852,1086 3.75,1087 3.801,1088 3.744,1089 3.624,1090 4.963,1091 3.619,1092 3.689,1093 3.731,1094 3.685,1095 3.541,1096 4.732,1097 3.538,1098 3.466,1099 3.501,1100 3.581,1101 3.37,1102 4.635,1103 3.32,1104 3.34,1105 3.363,1106 3.403,1107 3.202,1108 4.58,1109 3.176,1110 3.303,1111 3.355,1112 3.364,1113 3.055,1114 4.489,1115 3.069,1116 0.096,1117 0.103,1118 0.16,1119 0.092,1120 0.073,1121 4.8,1122 0.083,1123 5.161,1124 0.07,1125 8,1126 0.305,1127 4.599,1128 0.068,1129 3.668,1130 4.173,1131 3.52,1132 15.268,1133 3.412,1134 1.959,1135 1.936,1136 2.079,1137 2.085,1138 1.463,1139 2.085,1140 1.932,1141 1.911,1142 2.03,1143 2.031,1144 1.341,1145 2.036,1146 1.881,1147 1.874,1148 1.95,1149 1.984,1150 1.142,1151 1.976,1152 1.785,1153 1.753,1154 1.923,1155 1.903,1156 1.097,1157 1.926,1158 1.65,1159 1.614,1160 1.805,1161 1.822,1162 1.017,1163 1.825,1164 1.453,1165 1.41,1166 1.673,1167 1.621,1168 0.995,1169 1.661,1170 1.282,1171 1.248,1172 1.59,1173 1.558,1174 0.825,1175 1.565,1176 1.227,1177 1.173,1178 1.573,1179 1.523,1180 0.801,1181 1.537,1182 4.615,1183 5.984,1184 2.398,1185 7.569,1186 4.949,1187 9.249,1188 7.222,1189 10.977,1191 4.589,1192 12.819,1197 6.512,1199 23.062,1202 4.239,1203 -1.069,1206 53.183,1207 137.224,1208 291.804,1209 388.321,1210 439.579,1211 456.599,1212 466.864,1213 111.658,1214 8.965,1215 77.54,1216 96.75,1217 35,1218 13.359,1219 4.392,1220 3.585,1221 68.129,1222 224,1223 247,1224 0.138,1225 328.638,1226 587.17,1227 793.638,1228 111404,1229 2.4,1230 31.769,1231 0.706,1232 0.625,1233 33.058,1234 28.104,1235 21.729,1236 0.435,1237 0.344,1238 15.043,1239 19.628,1240 14.428,1241 11.805,1242 22.944,1243 17.189,1244 19.686,1245 0.266,1246 0.195,1247 21.283,1248 14.421,1249 18.184,1250 0.172,1251 0.117,1252 20.168,1253 12.369,1254 14.985,1255 0.107,1256 0.066,1257 16.47,1258 9.252,1259 12.683,1260 0.069,1261 0.039,1262 14.107,1263 7.103,1264 0.217,1265 149.641,1266 0.174,1267 39.07,1268 0.379,1269 248,1270 732.971,1271 332.449,1272 765.495,1273 1019.81,1274 716,1275 304,1276 669.445,1277 388.895,1278 720.264,1279 1063.28,1280 672,1281 7.229}
{0 CHEMBL2114965,1 1.653,2 14.6,3 4.548,4 20.685,5 178.641,6 8.117,7 0.36,8 4.52,9 4.613,10 4.219,11 4.091,12 5.55,13 4.05,14 5.119,15 5.273,16 4.624,17 4.538,18 6.088,19 4.478,20 5.399,21 5.553,22 4.855,23 4.778,24 6.436,25 4.692,26 5.58,27 5.762,28 4.755,29 4.841,30 6.57,31 4.729,32 5.691,33 5.92,34 4.713,35 4.82,36 6.672,37 4.701,38 5.632,39 5.864,40 4.695,41 4.791,42 6.557,43 4.661,44 5.615,45 5.844,46 4.653,47 4.757,48 6.552,49 4.632,50 5.529,51 5.742,52 4.699,53 4.748,54 6.475,55 4.619,56 0.081,57 1.124,58 17.388,59 8.631,60 12.912,61 10.272,62 0.554,63 1.93,64 39.042,65 15.104,66 40.867,67 17.808,68 0.862,69 2.482,70 58.375,71 20.955,72 68.781,73 24.838,74 0.888,75 2.919,76 67.408,77 24.938,78 97.419,79 30.413,80 1.545,81 3.12,82 75.8,83 26.243,84 142.869,85 33.917,86 1.131,87 2.949,88 75.275,89 25.266,90 108.669,91 32.952,92 1.34,93 2.805,94 79.763,95 24.215,96 125.841,97 30.611,98 1.147,99 2.599,100 69.77,101 23.469,102 107.572,103 29.774,104 59,105 74,106 0.249,107 0.53,108 0.706,109 0.799,110 0.83,111 0.848,112 3.832,113 1.031,114 -4.36,115 -4.29,116 -4.05,119 41,121 3,124 3,125 7,127 2,132 9,133 4,134 5,144 1,155 11,157 1,158 9,163 15,165 3,166 16,173 15,175 2,176 10,183 9,185 7,186 11,193 5,195 2,196 11,203 10,205 1,206 8,214 11,217 2,218 9,224 8,226 2,227 13,234 12,238 4984,239 30.581,240 30.581,241 30.581,242 30.581,243 30.581,244 28.17,245 40.151,246 17.237,247 31.915,248 24.341,249 24.341,250 24.341,251 24.341,252 24.341,253 20.443,254 49.136,255 7.726,256 26.298,257 4.722,258 2.859,259 1.696,260 1.079,261 0.874,262 0.75,263 4.539,264 2,267 1,268 1436,269 4.472,271 117.564,272 778.376,274 220.02,277 2.213,278 55.538,280 0.75,281 0.67,282 0.83,283 0.9,284 1,285 0.83,286 1,287 0.85,288 97.667,289 657,290 4.8,291 5.161,292 8,293 4.599,294 3.668,295 4.173,296 3.52,297 15.268,298 3.412,299 4.615,300 3.932,301 7.657,302 4.477,303 3.521,304 4.148,305 1.2,306 14.083,307 3.362,308 4.462,309 3.664,310 6.578,311 4.075,312 3.113,313 4.01,314 1.151,315 10.438,316 3.001,317 4.097,318 3.332,319 6.306,320 3.742,321 2.795,322 3.466,323 0.86,324 9.359,325 2.639,326 3.996,327 3.307,328 5.939,329 3.582,330 2.698,331 3.323,332 0.86,333 8.107,334 2.434,335 3.786,336 3.277,337 5.913,338 3.482,339 2.522,340 3.141,341 0.86,342 8.005,343 2.3,344 3.428,345 2.77,346 5.342,347 3.242,348 2.308,349 2.604,350 0.8,351 6.863,352 2.13,353 3.355,354 2.758,355 5.26,356 2.972,357 2.061,358 2.468,359 0.57,360 6.251,361 1.884,362 3.244,363 2.555,364 5.19,365 2.961,366 2.015,367 2.401,368 0.293,369 6.118,370 1.867,371 3.125,372 2.326,373 5.126,374 2.711,375 1.804,376 2.228,378 5.307,379 1.615,380 2.971,381 2.154,382 4.963,383 2.592,384 1.648,385 2.086,387 5.072,388 1.504,389 2.839,390 2.079,391 4.148,392 2.338,393 1.414,394 1.97,396 3.518,397 1.32,398 2.819,399 1.896,400 4.045,401 2.305,402 1.354,403 1.945,405 3.022,406 1.199,407 2.524,408 1.765,409 4.003,410 2.225,411 1.294,412 1.496,414 2.958,415 1.189,416 2.462,417 1.602,418 3.821,419 2.094,420 1.138,421 1.403,423 2.871,424 1.08,425 22.062,426 0.49,427 1.201,428 0.027,429 52,430 1.156,431 22.5,432 0.5,433 29.5,434 0.656,435 55.59,436 1.235,437 49.938,438 0.602,439 47.489,440 1.055,441 10.016,442 0.223,443 11.714,444 0.26,445 0.163,446 0.045,447 0.301,450 0.707,451 1.344,452 0.653,453 1.089,454 0.577,455 0.971,456 1.11,457 0.919,458 0.801,459 0.801,460 0.692,461 0.773,462 0.946,463 1.107,464 0.933,465 1.057,466 0.884,467 1.015,468 0.986,469 1.275,470 1.001,471 1.217,472 1.217,473 1.182,474 0.883,475 0.996,476 0.738,477 0.883,478 0.99,479 0.973,480 0.831,481 1.079,482 0.855,483 0.971,484 0.818,485 1.018,486 1.212,487 0.874,488 1.058,489 0.874,490 1.314,491 0.95,492 0.899,493 0.975,494 0.963,495 0.975,496 0.976,497 1.033,498 11,499 0.473,500 7.556,501 4.424,502 3.214,503 2.444,504 1.149,505 0.832,506 0.937,507 0.668,508 35195,509 100838,510 2.082,511 45.8,513 32,519 6,520 1.832,521 1.929,522 3.775,523 -0.751,527 137.224,528 1.653,529 3.516,530 4.679,531 5.296,532 5.501,533 5.625,534 3.228,535 5.014,536 5.464,537 3.998,538 3957.7,539 9.711,540 73145.3,544 529.128,545 1.63,546 5.406,547 0.22,548 0.007,549 0.102,550 0.051,551 0.04,552 0.032,553 0.016,554 0.012,555 0.014,556 0.009,557 0.503,558 0.17,559 0.75,560 0.8,561 260.713,562 0.008,563 -0.168,564 0.077,565 -0.065,566 -0.023,567 -0.003,568 -0.127,569 0.212,570 0.047,571 0.202,572 -0.018,573 0.175,574 0.019,575 -0.019,576 -0.008,577 -0.028,578 0.039,579 -0.047,580 -0.055,581 -0.229,582 -0.146,583 -0.214,584 -0.084,585 -0.208,586 0.088,587 -0.012,588 0.021,589 0.007,590 0.047,591 -0.014,592 0.032,593 -0.09,594 0.008,595 -0.056,596 0.024,597 -0.039,598 -0.147,599 0.109,600 -0.083,601 0.046,602 -0.152,603 0.013,604 0.033,606 -0.01,607 -0.026,608 -0.039,609 -0.045,610 2.137,611 6.989,612 0.711,613 57.561,614 1.008,615 1.12,616 3.13,617 9.796,618 0.682,619 3.932,620 4.317,621 4.673,622 4.949,623 5.22,624 5.333,625 5.46,626 5.565,627 5.697,628 5.838,629 8.716,630 0.641,631 673.71,632 3.932,633 5.517,634 6.412,635 7.328,636 8.241,637 9.163,638 10.082,639 11.006,640 11.928,641 12.853,642 2.4,645 1,648 1,654 9,659 9,661 18,663 1,668 3,669 2,670 83,672 20,673 3,674 50,676 88,677 34,678 18,679 9,680 9,681 1,683 6,684 7,685 2,691 2,692 2,694 3,696 19,697 15,698 2,699 2,703 2,707 1,708 1,713 38,714 8,716 11,717 3,720 2,721 0.667,722 6,732 1,733 5,735 1,749 1,752 1,753 4,755 1,757 3,758 2,761 45,763 1,766 10,768 4,771 2,772 2,777 2,778 7.2,781 2,782 1,783 3,785 23.333,786 15.852,787 9.958,788 4.906,789 2.265,790 1.253,791 0.963,792 9.84,793 11.23,794 4.127,795 4.705,796 5.274,797 5.773,798 6.271,799 6.447,800 6.673,801 6.78,802 6.897,803 7.145,804 0.9,805 86,806 16.853,807 7.419,808 7.714,809 32.384,810 27.754,811 2.214,812 99.611,815 447.302,816 200.871,817 6.249,818 78.297,819 91.301,821 19.133,822 181.738,823 616.9,824 6.249,825 32.649,826 26.749,827 104.419,828 63.006,829 71.598,831 447.302,832 78.297,833 447.302,834 187.987,835 91.301,836 97.43,838 376.675,839 150.928,840 11,841 29.873,842 158.114,843 78.297,844 19.133,845 447.302,846 97.55,847 279.168,850 466.435,851 63.803,852 124.184,854 169.598,855 447.302,856 97.55,857 279.168,859 0.591,860 0.376,861 0.203,862 0.113,863 37,864 17,865 0.091,866 8,867 1,868 1.094,869 5.066,870 501.936,871 0.063,872 33,873 235.133,876 1,878 32.76,879 13.516,880 6.156,882 97.55,883 17.276,888 5.935,891 824.02,892 61,896 27.327,900 -0.163,901 -0.914,902 83.68,903 92.95,904 0.259,905 0.551,906 0.734,907 0.831,908 0.863,909 0.882,910 5.427,911 2.061,912 6.454,913 6.863,914 5.004,915 5.394,916 3.62,917 7.392,918 4.866,919 6.647,920 2.015,921 8.105,922 6.251,923 4.844,924 5.33,925 0.57,926 8.825,927 4.619,928 7.995,929 1.804,930 9.875,931 6.118,932 6.772,933 7.556,934 5.765,935 11.938,936 6.524,937 9.381,938 1.648,939 11.721,940 5.307,941 7.462,942 8.287,943 0.801,944 14.239,945 7.133,946 10.803,947 1.414,948 13.619,949 5.072,950 8.912,951 10.037,952 8.247,953 17.008,954 8.555,955 12.25,956 1.354,957 15.556,958 3.518,959 9.951,960 11.114,961 1.074,962 19.588,963 9.52,964 13.717,965 1.294,966 17.521,967 3.022,968 11.257,969 12.682,970 10.761,971 22.292,972 10.785,973 3.668,974 1.138,975 19.508,976 2.958,977 12.435,978 13.921,979 1.404,980 24.955,981 11.895,982 3.521,983 15.268,984 21.512,985 2.871,986 13.705,987 15.41,988 13.278,989 27.652,990 13.113,991 3.113,992 14.083,993 23.529,994 4.173,995 14.939,996 16.731,997 1.768,998 30.342,999 14.281,1000 2.795,1001 10.438,1002 25.556,1003 4.148,1004 16.204,1005 18.181,1006 15.794,1007 33.042,1008 15.488,1009 2.698,1010 9.359,1011 27.591,1012 4.01,1013 17.461,1014 19.545,1015 2.15,1016 35.741,1017 16.68,1018 2.522,1019 8.107,1020 29.633,1021 3.466,1022 18.731,1023 20.978,1024 18.311,1025 38.445,1026 17.888,1027 2.308,1028 8.005,1029 31.679,1030 3.323,1031 20,1032 22.366,1033 2.538,1034 41.15,1035 19.091,1036 32905,1037 55878,1038 32.997,1039 56.568,1040 76.11,1041 80.512,1042 81.786,1043 75.694,1044 75.534,1045 91.244,1046 20.227,1047 233.805,1048 69.909,1049 5.8,1050 7.161,1051 7.68,1052 5.711,1053 5.668,1054 7.173,1055 7.04,1056 23.343,1057 5.412,1058 25.075,1059 1.522,1060 1.61,1061 1.636,1062 1.514,1063 1.511,1064 1.825,1065 0.405,1066 4.676,1067 1.398,1068 4.1,1069 4.119,1070 4.41,1071 4.082,1072 7.428,1073 4.035,1074 4.003,1075 4.019,1076 4.128,1077 3.928,1078 7.395,1079 3.925,1080 3.923,1081 3.93,1082 3.936,1083 3.843,1084 5.048,1085 3.852,1086 3.75,1087 3.801,1088 3.744,1089 3.624,1090 4.963,1091 3.619,1092 3.689,1093 3.731,1094 3.685,1095 3.541,1096 4.732,1097 3.538,1098 3.466,1099 3.501,1100 3.581,1101 3.37,1102 4.635,1103 3.32,1104 3.34,1105 3.363,1106 3.403,1107 3.202,1108 4.58,1109 3.176,1110 3.303,1111 3.355,1112 3.364,1113 3.055,1114 4.489,1115 3.069,1116 0.096,1117 0.103,1118 0.16,1119 0.092,1120 0.073,1121 4.8,1122 0.083,1123 5.161,1124 0.07,1125 8,1126 0.305,1127 4.599,1128 0.068,1129 3.668,1130 4.173,1131 3.52,1132 15.268,1133 3.412,1134 1.959,1135 1.936,1136 2.079,1137 2.085,1138 1.463,1139 2.085,1140 1.932,1141 1.911,1142 2.03,1143 2.031,1144 1.341,1145 2.036,1146 1.881,1147 1.874,1148 1.95,1149 1.984,1150 1.142,1151 1.976,1152 1.785,1153 1.753,1154 1.923,1155 1.903,1156 1.097,1157 1.926,1158 1.65,1159 1.614,1160 1.805,1161 1.822,1162 1.017,1163 1.825,1164 1.453,1165 1.41,1166 1.673,1167 1.621,1168 0.995,1169 1.661,1170 1.282,1171 1.248,1172 1.59,1173 1.558,1174 0.825,1175 1.565,1176 1.227,1177 1.173,1178 1.573,1179 1.523,1180 0.801,1181 1.537,1182 4.615,1183 5.984,1184 2.398,1185 7.569,1186 4.949,1187 9.249,1188 7.222,1189 10.977,1191 4.589,1192 12.819,1197 6.512,1199 23.062,1202 4.239,1203 -1.069,1206 53.183,1207 137.224,1208 291.804,1209 388.321,1210 439.579,1211 456.599,1212 466.864,1213 111.658,1214 8.965,1215 77.54,1216 96.75,1217 35,1218 13.359,1219 4.392,1220 3.585,1221 68.129,1222 224,1223 247,1224 0.138,1225 328.638,1226 587.17,1227 793.638,1228 111404,1229 2.4,1230 31.769,1231 0.706,1232 0.625,1233 33.058,1234 28.104,1235 21.729,1236 0.435,1237 0.344,1238 15.043,1239 19.628,1240 14.428,1241 11.805,1242 22.944,1243 17.189,1244 19.686,1245 0.266,1246 0.195,1247 21.283,1248 14.421,1249 18.184,1250 0.172,1251 0.117,1252 20.168,1253 12.369,1254 14.985,1255 0.107,1256 0.066,1257 16.47,1258 9.252,1259 12.683,1260 0.069,1261 0.039,1262 14.107,1263 7.103,1264 0.217,1265 149.641,1266 0.174,1267 39.07,1268 0.379,1269 248,1270 732.971,1271 332.449,1272 765.495,1273 1019.81,1274 716,1275 304,1276 669.445,1277 388.895,1278 720.264,1279 1063.28,1280 672,1281 6}
{0 CHEMBL2115072,1 1.538,2 12.485,3 5.522,4 30.489,5 136.103,6 7.432,7 0.343,8 4.247,9 4.372,10 3.801,11 3.805,12 5.296,13 3.746,14 4.813,15 5.01,16 4.152,17 4.22,18 5.721,19 4.126,20 5.133,21 5.357,22 4.371,23 4.426,24 6.053,25 4.296,26 5.274,27 5.52,28 4.189,29 4.425,30 6.186,31 4.279,32 5.318,33 5.586,34 4.163,35 4.433,36 6.167,37 4.272,38 5.32,39 5.594,40 4.193,41 4.443,42 6.152,43 4.268,44 5.244,45 5.51,46 4.238,47 4.416,48 6.11,49 4.258,50 5.154,51 5.383,52 4.293,53 4.422,54 6.106,55 4.268,56 0.087,57 0.901,58 14.293,59 6.371,60 15.723,61 8.733,62 0.224,63 1.476,64 28.252,65 10.659,66 21.652,67 15.072,68 0.316,69 1.875,70 46.792,71 15.301,72 46.899,73 21.24,74 0.496,75 2.05,76 50.169,77 16.485,78 78.444,79 22.996,80 0.569,81 2.109,82 52.58,83 17.511,84 75.534,85 24.562,86 0.573,87 2.057,88 56.713,89 18.21,90 74.128,91 25.626,92 0.617,93 1.926,94 54.494,95 16.572,96 65.626,97 23.403,98 0.447,99 1.787,100 49.063,101 16.329,102 63.334,103 22.266,104 42,105 47,106 0.246,107 0.539,108 0.732,109 0.812,110 0.844,111 0.857,112 3.532,113 1.06,114 -5.91,115 -5.77,116 -5.37,119 39.4,120 1,121 4,122 2,124 1,125 4,132 8,133 2,134 2,143 1,144 1,153 1,155 14,157 1,158 8,163 15,166 11,170 2,173 15,176 8,181 3,183 9,185 2,186 8,193 9,196 5,198 1,203 12,205 1,206 7,214 16,218 6,223 1,224 15,227 6,231 1,234 14,238 2367,239 22.223,240 22.223,241 22.223,242 22.223,243 22.223,244 20.177,245 26.591,246 13.074,247 22.724,248 17.066,249 17.066,250 17.066,251 17.066,252 17.066,253 14.232,254 31.296,255 5.985,256 17.926,257 4.507,258 2.679,259 1.474,260 0.97,261 0.773,262 0.69,263 4.211,264 2,267 1,268 857,269 4.472,272 399.753,277 1.772,278 28.822,280 0.75,281 0.67,282 0.83,283 1,284 1,285 1,286 1,287 0.89,288 70.167,289 412,290 4.282,291 3.809,292 6.364,293 3.981,294 3.005,295 3.899,296 2.16,297 9.597,298 2.938,299 4.21,300 3.682,301 6.186,302 3.847,303 2.875,304 3.711,305 1.2,306 9.103,307 2.809,308 4.034,309 3.344,310 6.126,311 3.824,312 2.848,313 3.249,314 0.8,315 8.949,316 2.786,317 3.777,318 3.019,319 5.804,320 3.467,321 2.56,322 3.036,323 0.466,324 7.755,325 2.26,326 3.467,327 2.96,328 5.321,329 3.305,330 2.38,331 2.711,332 0.293,333 6.882,334 2.16,335 3.433,336 2.711,337 5.076,338 3.057,339 2.096,340 2.49,342 5.824,343 1.983,344 2.885,345 2.267,346 4.384,347 2.575,348 1.597,349 1.984,351 4.153,352 1.545,353 2.819,354 2.147,355 4.306,356 2.492,357 1.509,358 1.945,360 3.897,361 1.471,362 2.753,363 2.033,364 4.033,365 2.311,366 1.414,367 1.75,369 3.508,370 1.27,371 2.579,372 1.7,373 3.755,374 2.284,375 1.317,376 1.569,378 3.086,379 1.192,380 2.5,381 1.445,382 3.414,383 2,384 1,385 1.5,387 2.275,388 1,389 2.149,390 1.323,391 3.306,392 1.984,393 1,394 1,396 2.136,397 0.983,398 2,399 1.077,400 3.247,401 1.75,402 0.726,403 0.928,405 1.751,406 0.735,407 1.752,408 1,409 3.064,410 1.604,411 0.618,412 0.664,414 1.076,415 0.609,416 1.589,417 0.801,418 2.618,419 1.447,420 0.465,421 0.518,423 0.791,424 0.445,425 16.295,426 0.494,427 0.75,428 0.023,429 35.25,430 1.068,431 15,432 0.455,433 20.25,434 0.614,435 37.667,436 1.141,437 37.105,438 0.562,439 27.074,440 0.82,441 6.722,442 0.204,443 9.201,444 0.279,445 0.19,447 0.295,450 0.627,451 1.355,452 0.668,453 1.034,454 0.6,455 1.02,456 0.707,457 1.086,458 0.725,459 0.897,460 0.48,461 0.948,462 0.739,463 1.172,464 0.794,465 1.041,466 0.614,467 1.041,468 1.17,469 1.11,470 0.881,471 1.006,472 1.276,473 1.051,474 1,475 0.947,476 0.765,477 0.892,478 1.06,479 0.952,480 0.842,481 0.972,482 0.854,483 0.934,484 0.882,485 0.944,486 0.884,487 0.837,488 0.947,489 0.879,490 0.864,491 0.892,492 0.833,493 1.054,494 1.037,495 1.102,496 0.857,497 1.086,498 6.5,499 0.223,500 4.444,501 1.875,502 1.587,503 1.243,504 0.811,505 0.502,506 0.476,507 0.372,508 14825,509 41323,510 1.994,511 50,512 3,513 19,516 1,517 3,518 7,520 1.757,521 1.85,522 3.588,523 -0.382,527 101.499,528 1.538,529 3.366,530 4.57,531 5.074,532 5.271,533 5.355,534 3.037,535 4.681,536 5.013,537 3.792,538 2001.93,539 8.808,540 30917.2,544 398.93,545 1.462,546 4.964,547 0.186,548 0.006,549 0.095,550 0.037,551 0.035,552 0.028,553 0.018,554 0.011,555 0.01,556 0.009,557 0.435,558 0.33,559 0.75,560 0.998,561 176.167,562 0.067,563 -0.101,564 0.018,565 -0.007,566 0.041,568 -0.01,569 0.089,570 0.026,571 0.074,572 0.043,573 0.038,574 0.034,575 -0.106,576 0.074,577 -0.055,578 0.087,579 -0.046,580 -0.136,581 -0.093,582 -0.083,583 -0.075,584 -0.106,585 -0.099,586 -0.057,587 0.038,588 -0.001,589 0.029,590 -0.075,591 0.002,592 0.02,593 -0.021,594 0.029,595 0.023,596 -0.019,597 0.035,598 0.013,599 0.148,600 0.024,601 0.087,602 -0.017,603 0.086,604 0.037,605 -0.054,606 -0.021,607 -0.077,608 0.007,609 -0.072,610 1.656,611 5.932,612 0.545,613 37.036,614 0.996,615 1.128,616 4.68,617 21.906,618 0.664,619 3.584,620 3.871,621 4.111,622 4.248,623 4.431,624 4.431,625 4.511,626 4.533,627 4.605,628 4.71,629 7.598,630 0.615,631 490.52,632 3.584,633 5.106,634 5.938,635 6.786,636 7.631,637 8.482,638 9.332,639 10.184,640 11.036,641 11.89,642 4.5,645 1,648 1,650 1,654 8,659 4,661 12,663 1,669 2,670 66,672 14,673 2,674 35,676 68,677 26,678 12,679 4,680 8,681 1,683 3,684 3,685 2,688 1,691 2,692 1,694 4,696 14,697 12,698 2,699 2,703 1,706 1,707 2,713 33,714 5,715 1,716 7,717 2,720 3,721 1,722 2,733 3,739 1,749 1,751 1,753 3,757 2,758 2,761 33,765 1,766 8,770 2,771 2,777 2,778 3,781 1,783 1,785 17.833,786 12.086,787 7.556,788 4.242,789 1.54,790 1.214,791 0.926,792 9.904,793 8.732,794 3.784,795 4.277,796 4.736,797 5.097,798 5.516,799 5.482,800 5.616,801 5.637,802 5.833,803 6.096,804 1,805 51,806 12.234,807 5.067,808 7.709,809 23.747,810 19.463,811 2.209,812 72.889,815 376.675,816 132.426,817 19.496,818 78.297,819 67.951,822 132.426,823 522.923,824 19.496,825 17.222,826 21.685,827 75.81,828 32.606,829 72.55,831 376.675,832 78.297,833 376.675,834 151.922,835 67.951,836 78.297,838 294.278,839 150.348,841 46.882,842 105.04,843 78.297,845 376.675,846 87.447,847 210.724,850 376.675,851 39.395,852 99.28,854 159.495,855 376.675,856 87.447,857 210.724,859 0.574,860 0.346,861 0.169,862 0.087,863 19,864 10,865 0.132,866 9,868 1,869 4.326,870 288.046,872 18,873 156.465,878 25.862,879 12.637,880 7.113,882 87.447,883 15.129,888 2.847,890 42.806,891 674.846,892 43,896 12.932,899 3.496,900 0.918,902 65.745,903 74.445,904 0.254,905 0.557,906 0.756,907 0.839,908 0.872,909 0.886,910 5.017,911 1.509,912 5.911,913 4.153,914 4.554,915 4.963,916 2.637,917 6.681,918 4.465,919 6.181,920 1.414,921 7.458,922 3.897,923 4.111,924 4.635,925 1.45,926 7.532,927 3.921,928 7.46,929 1.317,930 9.103,931 3.508,932 6.12,933 6.991,934 3.723,935 10.572,936 5.963,937 8.769,938 1,939 10.806,940 3.086,941 6.494,942 7.467,943 3.056,944 12.209,945 6.26,946 10.11,947 1,948 12.543,949 2.275,950 7.955,951 9.309,952 5.088,953 14.754,954 7.742,955 11.471,956 0.726,957 14.303,958 2.136,959 8.691,960 10.157,961 4.759,962 16.708,963 8.428,964 12.847,965 0.618,966 16.078,967 1.751,968 9.929,969 11.777,970 6.533,971 19.071,972 9.67,973 3.005,974 0.465,975 17.865,976 1.076,977 10.837,978 12.823,979 6.442,980 21.167,981 10.545,982 2.875,983 9.597,984 19.66,985 0.791,986 11.977,987 14.329,988 8.007,989 23.455,990 11.681,991 2.848,992 9.103,993 21.461,994 3.899,995 12.968,996 15.489,997 8.092,998 25.619,999 12.648,1000 2.56,1001 8.949,1002 23.267,1003 3.711,1004 14.067,1005 16.93,1006 9.495,1007 27.875,1008 13.737,1009 2.38,1010 7.755,1011 25.077,1012 3.249,1013 15.099,1014 18.16,1015 9.715,1016 30.073,1017 14.749,1018 2.096,1019 6.882,1020 26.891,1021 3.036,1022 16.181,1023 19.563,1024 10.991,1025 32.317,1026 15.818,1027 1.597,1028 5.824,1029 28.707,1030 2.711,1031 17.234,1032 20.836,1033 11.319,1034 34.533,1035 16.851,1036 14632,1037 24620,1038 22.77,1039 43.824,1040 51.734,1041 54.978,1042 53.572,1043 51.315,1044 50.974,1045 62.086,1046 9.838,1047 141.894,1048 48.466,1049 5.282,1050 5.809,1051 6.166,1052 5.016,1053 5.005,1054 6.899,1055 4.106,1056 16.398,1057 4.938,1058 19.057,1059 1.478,1060 1.571,1061 1.531,1062 1.466,1063 1.456,1064 1.774,1065 0.281,1066 4.054,1067 1.385,1068 4.003,1069 4.041,1070 4.123,1071 3.93,1072 7.428,1073 3.923,1074 3.902,1075 3.939,1076 3.876,1077 3.842,1078 6.543,1079 3.837,1080 3.882,1081 3.916,1082 3.796,1083 3.761,1084 5.04,1085 3.758,1086 3.641,1087 3.697,1088 3.611,1089 3.505,1090 4.728,1091 3.498,1092 3.553,1093 3.625,1094 3.435,1095 3.361,1096 4.491,1097 3.361,1098 3.385,1099 3.457,1100 3.4,1101 3.198,1102 4.416,1103 3.201,1104 3.131,1105 3.206,1106 3.317,1107 2.953,1108 4.313,1109 2.945,1110 3.111,1111 3.205,1112 3.101,1113 2.941,1114 4.147,1115 2.91,1116 0.122,1117 0.109,1118 0.182,1119 0.114,1120 0.086,1121 4.282,1122 0.111,1123 3.809,1124 0.062,1125 6.364,1126 0.274,1127 3.981,1128 0.084,1129 3.005,1130 3.899,1131 2.16,1132 9.597,1133 2.938,1134 1.948,1135 1.922,1136 2.087,1137 2.068,1138 1.456,1139 2.079,1140 1.898,1141 1.873,1142 2.034,1143 2.016,1144 1.349,1145 2.024,1146 1.865,1147 1.815,1148 2.002,1149 1.966,1150 1.081,1151 1.983,1152 1.62,1153 1.567,1154 1.836,1155 1.791,1156 1.039,1157 1.809,1158 1.524,1159 1.453,1160 1.766,1161 1.742,1162 0.965,1163 1.756,1164 1.372,1165 1.298,1166 1.664,1167 1.595,1168 0.848,1169 1.627,1170 1.153,1171 1.064,1172 1.513,1173 1.376,1174 0.825,1175 1.429,1176 1.102,1177 1.033,1178 1.409,1179 1.358,1180 0.613,1181 1.371,1182 4.263,1183 5.557,1185 7.048,1187 8.62,1189 10.229,1191 3.891,1192 12.472,1196 9.221,1197 7.218,1201 0.511,1202 4.255,1206 40.578,1207 101.499,1208 222.136,1209 301.646,1210 334.891,1211 347.91,1212 353.42,1213 83.276,1214 7.191,1215 56.14,1216 56.14,1217 18,1218 12.445,1219 3.907,1220 3.17,1221 63.935,1222 141,1223 161,1224 0.204,1225 259.613,1226 459.36,1227 625.216,1228 11739,1229 3,1230 23.794,1231 0.721,1232 0.633,1233 24.794,1234 20.895,1235 15.922,1236 0.455,1237 0.353,1238 11.565,1239 14.919,1240 11.166,1241 9.269,1242 16.5,1243 12.367,1244 13.693,1245 0.291,1246 0.204,1247 14.434,1248 9.586,1249 11.823,1250 0.197,1251 0.123,1252 12.738,1253 7.359,1254 8.734,1255 0.127,1256 0.071,1257 9.12,1258 4.92,1259 6.715,1260 0.081,1261 0.042,1262 7.113,1263 3.514,1264 0.322,1265 104.998,1266 0.21,1267 30.847,1268 0.555,1269 164,1270 441.227,1271 204.243,1272 491.204,1273 637.33,1274 454,1275 189,1276 410.163,1277 226.656,1278 437.441,1279 627.96,1280 409,1281 9.1}
{0 CHEMBL2115073,1 1.447,2 12.559,3 6.346,4 40.273,5 142.782,6 7.022,7 0.333,8 4.321,9 4.45,10 3.824,11 3.879,12 5.282,13 3.809,14 4.915,15 5.116,16 4.212,17 4.306,18 5.798,19 4.205,20 5.264,21 5.487,22 4.438,23 4.535,24 6.19,25 4.4,26 5.438,27 5.688,28 4.241,29 4.575,30 6.306,31 4.406,32 5.5,33 5.794,34 4.195,35 4.579,36 6.239,37 4.379,38 5.456,39 5.756,40 4.215,41 4.533,42 6.192,43 4.335,44 5.321,45 5.593,46 4.26,47 4.472,48 6.164,49 4.306,50 5.224,51 5.459,52 4.312,53 4.483,54 6.134,55 4.318,56 0.058,57 0.96,58 16.588,59 7.266,60 11.85,61 10.066,62 0.253,63 1.598,64 32.592,65 12.271,66 24.146,67 17.383,68 0.421,69 2.07,70 53.525,71 17.807,72 60.74,73 24.48,74 0.58,75 2.352,76 58.721,77 20.205,78 86.256,79 28.051,80 0.578,81 2.486,82 62.261,83 21.588,84 69.068,85 30.872,86 0.531,87 2.335,88 63.547,89 20.598,90 65.262,91 29.584,92 0.655,93 2.055,94 57.923,95 17.766,96 67.144,97 25.228,98 0.461,99 1.904,100 52.502,101 17.781,102 60.898,103 24.42,104 55,105 50,106 0.228,107 0.503,108 0.704,109 0.806,110 0.828,111 0.828,112 3.56,113 1.102,114 -6.35,115 -6.19,116 -5.74,119 38.9,120 2,121 5,122 2,124 1,125 4,127 1,132 8,133 2,134 2,144 1,155 15,157 1,158 6,162 3,163 17,166 8,170 4,173 20,176 8,183 12,185 1,186 9,189 1,193 9,196 6,203 12,205 1,206 6,211 1,214 17,218 5,223 1,224 17,227 5,231 1,234 16,238 2504,239 22.593,240 22.593,241 22.593,242 22.593,243 22.593,244 20.97,245 23.074,246 12.964,247 23.058,248 17.472,249 17.472,250 17.472,251 17.472,252 17.472,253 15.086,254 24.713,255 5.894,256 18.357,257 4.723,258 2.979,259 1.708,260 1.063,261 0.92,262 0.92,263 4.237,264 2,268 886,269 4.796,272 414.343,277 1.794,278 31.741,280 0.5,281 0.5,282 0.5,283 0.8,284 1,285 0.67,286 1,287 0.71,288 71.667,289 427,290 4.421,291 3.682,292 7.456,293 4.389,294 3.421,295 3.899,296 1.2,297 13.05,298 3.303,299 4.282,300 3.598,301 6.364,302 3.981,303 3.005,304 3.711,305 0.8,306 9.597,307 2.938,308 4.21,309 3.344,310 6.185,311 3.843,312 2.873,313 3.421,314 0.293,315 9.102,316 2.804,317 3.779,318 2.991,319 5.804,320 3.488,321 2.58,322 3.036,324 7.756,325 2.328,326 3.494,327 2.794,328 5.381,329 3.378,330 2.455,331 2.711,333 7.029,334 2.183,335 3.434,336 2.267,337 5.076,338 3.058,339 2.097,340 2.503,342 5.824,343 1.987,344 2.886,345 2.147,346 4.915,347 2.713,348 1.736,349 1.985,351 5.061,352 1.684,353 2.819,354 2.033,355 4.362,356 2.51,357 1.525,358 1.945,360 4.048,361 1.481,362 2.748,363 1.823,364 4.034,365 2.313,366 1.414,367 1.763,369 3.509,370 1.277,371 2.573,372 1.447,373 3.757,374 2.29,375 1.324,376 1.571,378 3.089,379 1.193,380 2.5,381 1.323,382 3.414,383 2,384 1,385 1.5,387 2.275,388 1,389 2.147,390 1.077,391 3.414,392 1.984,393 1,394 1,396 2.136,397 0.983,398 2,399 1,400 3.331,401 1.75,402 0.726,403 0.927,405 1.758,406 0.735,407 1.618,408 0.788,409 3.247,410 1.618,411 0.618,412 0.618,414 1.08,415 0.618,416 1.589,417 0.618,418 3.165,419 1.448,420 0.466,421 0.518,423 0.828,424 0.446,425 16.895,426 0.497,427 0.904,428 0.027,429 34,430 1,431 13.5,432 0.397,433 20.5,434 0.603,435 43.28,436 1.273,437 38.905,438 0.54,439 25.591,440 0.753,441 5.998,442 0.176,443 10.27,444 0.302,445 0.213,446 0.03,447 0.255,450 0.711,451 1.398,452 0.712,453 1.086,454 0.7,455 1.068,456 0.782,457 1.099,458 0.731,459 0.926,460 0.598,461 0.957,462 0.997,463 1.145,464 0.82,465 1.029,466 0.917,467 1.036,468 1.286,469 1.123,470 0.896,471 1.023,472 1.445,473 1.08,474 0.723,475 0.978,476 0.697,477 0.887,478 0.756,479 0.929,480 0.717,481 0.945,482 0.785,483 0.873,484 0.656,485 0.872,486 1.01,487 0.831,488 0.954,489 0.852,490 0.966,491 0.871,492 0.833,493 1.084,494 1.033,495 1.102,496 0.854,497 1.082,498 8,499 0.289,500 5.333,501 2.125,502 1.627,503 1.361,504 0.851,505 0.533,506 0.526,507 0.432,508 15910,509 38995,510 1.97,511 52.8,512 6,513 19,516 1,518 12,520 1.764,521 1.813,522 3.592,523 -0.421,527 104.207,528 1.447,529 3.191,530 4.462,531 5.107,532 5.25,533 5.25,534 3.033,535 4.455,536 5.058,537 3.807,538 2135.8,539 8.894,540 33665.5,544 444.235,545 1.627,546 4.992,547 0.222,548 0.007,549 0.107,550 0.039,551 0.035,552 0.03,553 0.019,554 0.011,555 0.011,556 0.01,557 0.491,558 0.33,559 0.75,560 1.009,561 183.098,562 -0.017,563 -0.126,564 0.016,565 -0.018,566 -0.054,567 0.003,568 0.018,569 0.082,570 0.048,571 0.064,572 0.047,573 0.049,574 0.004,575 -0.081,576 0.059,577 -0.038,578 0.075,579 -0.04,580 -0.15,581 -0.116,582 -0.103,583 -0.082,584 -0.134,585 -0.123,586 0.036,587 -0.003,588 0.046,589 0.029,590 0.001,591 0.025,592 0.038,593 0.016,594 0.078,595 0.06,596 0.03,597 0.089,598 0.002,599 0.172,600 0.025,601 0.102,602 -0.024,603 0.091,604 0.058,605 -0.065,606 -0.007,607 -0.074,608 0.024,609 -0.065,610 1.783,611 5.97,612 0.529,613 38.076,614 0.99,615 1.128,616 5.122,617 26.233,618 0.654,619 3.611,620 3.932,621 4.174,622 4.277,623 4.454,624 4.477,625 4.554,626 4.554,627 4.644,628 4.762,629 7.714,630 0.599,631 505.58,632 3.611,633 5.153,634 5.994,635 6.855,636 7.71,637 8.574,638 9.432,639 10.297,640 11.157,641 12.023,642 2.8,645 1,648 1,654 8,659 4,661 12,663 1,669 2,670 72,672 13,673 2,674 36,676 74,677 28,678 12,679 4,680 8,681 1,683 3,684 3,685 2,688 2,691 2,692 1,694 5,696 13,697 15,698 3,699 1,703 1,707 1,713 38,714 4,715 1,716 6,717 2,720 2,721 1,722 2,725 1,733 3,749 1,751 1,753 3,757 3,758 2,761 34,765 1,766 9,770 2,771 2,772 1,777 2,778 2.8,779 1,781 1,785 18.75,786 13.386,787 7.694,788 4.827,789 1.442,790 1.199,791 0.909,792 9.993,793 8.696,794 3.784,795 4.277,796 4.727,797 5.078,798 5.508,799 5.474,800 5.602,801 5.623,802 5.827,803 6.087,804 1,805 55,806 12.691,807 5.317,808 7.646,809 24.813,810 20.655,811 2.146,812 72.972,815 435.531,816 141.029,817 6.249,818 78.297,819 67.828,822 141.029,823 581.656,824 6.249,825 26.047,826 24.22,827 118.493,828 29.85,829 16.497,831 435.531,832 78.297,833 435.531,834 147.278,835 67.828,836 78.297,838 294.278,839 166.398,840 42.683,841 44.995,842 102.283,843 78.297,845 435.531,846 74.077,847 219.327,850 435.531,851 39.172,852 108.105,854 146.126,855 435.531,856 74.077,857 219.327,859 0.584,860 0.355,861 0.164,862 0.082,863 21,864 11,865 0.135,866 10,868 1,869 4.341,870 303.136,872 18,873 160.974,878 27.164,879 12.507,880 7.059,882 74.077,883 15.195,888 2.877,890 42.683,891 728.934,892 43,896 12.97,900 0.018,902 71.294,903 81.192,904 0.235,905 0.517,906 0.723,907 0.828,908 0.851,909 0.851,910 5.043,911 1.525,912 6.009,913 5.061,914 4.615,915 4.963,916 1.577,917 6.843,918 4.525,919 6.224,920 1.414,921 7.605,922 4.048,923 4.369,924 4.745,925 0.57,926 8.069,927 4.181,928 7.527,929 1.324,930 9.315,931 3.509,932 6.286,933 6.998,934 1.608,935 11.069,936 6.125,937 8.863,938 1,939 11.096,940 3.089,941 6.868,942 7.554,943 0.801,944 13.145,945 6.633,946 10.233,947 1,948 12.924,949 2.275,950 8.29,951 9.336,952 1.786,953 15.778,954 8.064,955 11.625,956 0.726,957 14.787,958 2.136,959 9.217,960 10.232,961 1.074,962 18.163,963 8.94,964 13.032,965 0.618,966 16.677,967 1.758,968 10.474,969 11.819,970 2.015,971 20.722,972 10.189,973 3.421,974 0.466,975 18.587,976 1.08,977 11.55,978 12.891,979 1.404,980 23.219,981 11.227,982 3.005,983 13.05,984 20.513,985 0.828,986 12.756,987 14.378,988 2.275,989 25.771,990 12.413,991 2.873,992 9.597,993 22.453,994 3.899,995 13.899,996 15.55,997 1.768,998 28.31,999 13.522,1000 2.58,1001 9.102,1002 24.405,1003 3.711,1004 15.094,1005 16.98,1006 2.556,1007 30.867,1008 14.69,1009 2.455,1010 7.756,1011 26.365,1012 3.421,1013 16.27,1014 18.215,1015 2.15,1016 33.422,1017 15.833,1018 2.097,1019 7.029,1020 28.334,1021 3.036,1022 17.468,1023 19.611,1024 2.853,1025 35.984,1026 16.999,1027 1.736,1028 5.824,1029 30.31,1030 2.711,1031 18.661,1032 20.885,1033 2.538,1034 38.546,1035 18.158,1036 15738,1037 24932,1038 23.057,1039 47.103,1040 53.368,1041 54.793,1042 56.736,1043 53.341,1044 52.901,1045 62.662,1046 4.586,1047 152.966,1048 50.271,1049 5.421,1050 5.682,1051 7.258,1052 5.424,1053 5.421,1054 6.899,1055 2.293,1056 20.241,1057 5.303,1058 20.94,1059 1.482,1060 1.522,1061 1.576,1062 1.482,1063 1.469,1064 1.741,1065 0.127,1066 4.249,1067 1.396,1068 4.009,1069 4.049,1070 4.123,1071 3.933,1072 7.428,1073 3.925,1074 3.91,1075 3.95,1076 3.879,1077 3.842,1078 6.446,1079 3.837,1080 3.897,1081 3.92,1082 3.814,1083 3.797,1084 5.04,1085 3.792,1086 3.673,1087 3.732,1088 3.621,1089 3.53,1090 4.728,1091 3.523,1092 3.584,1093 3.648,1094 3.473,1095 3.416,1096 4.491,1097 3.411,1098 3.391,1099 3.461,1100 3.4,1101 3.202,1102 4.377,1103 3.208,1104 3.306,1105 3.407,1106 3.322,1107 3.123,1108 4.274,1109 3.089,1110 3.111,1111 3.206,1112 3.106,1113 2.941,1114 4.089,1115 2.931,1116 0.123,1117 0.102,1118 0.207,1119 0.122,1120 0.095,1121 4.421,1122 0.108,1123 3.682,1124 0.033,1125 7.456,1126 0.362,1127 4.389,1128 0.092,1129 3.421,1130 3.899,1131 1.2,1132 13.05,1133 3.303,1134 1.95,1135 1.923,1136 2.107,1137 2.078,1138 1.5,1139 2.091,1140 1.903,1141 1.874,1142 2.044,1143 2.025,1144 1.365,1145 2.035,1146 1.889,1147 1.85,1148 2.006,1149 1.97,1150 1.156,1151 1.986,1152 1.658,1153 1.601,1154 1.889,1155 1.84,1156 1.08,1157 1.861,1158 1.559,1159 1.497,1160 1.768,1161 1.752,1162 0.974,1163 1.765,1164 1.373,1165 1.301,1166 1.725,1167 1.596,1168 0.869,1169 1.638,1170 1.351,1171 1.256,1172 1.663,1173 1.584,1174 0.848,1175 1.627,1176 1.153,1177 1.064,1178 1.513,1179 1.376,1180 0.825,1181 1.429,1182 4.29,1183 5.609,1185 7.13,1187 8.729,1189 10.364,1191 6.039,1192 12.511,1196 10.921,1197 8.157,1201 0.521,1202 4.295,1203 -0.533,1206 43.137,1207 104.207,1208 229.744,1209 321.241,1210 367.705,1211 377.97,1212 377.97,1213 96.692,1214 7.253,1215 43.78,1216 43.78,1217 18,1218 12.57,1219 3.807,1220 3,1221 67.066,1222 149,1223 156,1224 0.204,1225 274.931,1226 485.6,1227 662.591,1228 12636,1229 2.8,1230 24.717,1231 0.727,1232 0.652,1233 25.717,1234 22.155,1235 16.268,1236 0.452,1237 0.367,1238 12.438,1239 15.368,1240 11.966,1241 9.943,1242 16.846,1243 13.228,1244 14.414,1245 0.288,1246 0.209,1247 15.156,1248 10.452,1249 12.664,1250 0.198,1251 0.131,1252 13.579,1253 8.382,1254 8.805,1255 0.124,1256 0.078,1257 9.191,1258 5.51,1259 6.746,1260 0.079,1261 0.044,1262 7.143,1263 3.752,1264 0.322,1265 106.309,1266 0.208,1267 31.556,1268 0.554,1269 172,1270 417.582,1271 212.184,1272 468.483,1273 611.16,1274 434,1275 200,1276 390.97,1277 237.375,1278 420.017,1279 611.35,1280 394,1281 8.1}
{0 CHEMBL2115415,1 1.653,2 14.6,3 4.548,4 20.685,5 178.641,6 8.117,7 0.36,8 4.52,9 4.613,10 4.219,11 4.091,12 5.55,13 4.05,14 5.119,15 5.273,16 4.624,17 4.538,18 6.088,19 4.478,20 5.399,21 5.553,22 4.855,23 4.778,24 6.436,25 4.692,26 5.58,27 5.762,28 4.755,29 4.841,30 6.57,31 4.729,32 5.691,33 5.92,34 4.713,35 4.82,36 6.672,37 4.701,38 5.632,39 5.864,40 4.695,41 4.791,42 6.557,43 4.661,44 5.615,45 5.844,46 4.653,47 4.757,48 6.552,49 4.632,50 5.529,51 5.742,52 4.699,53 4.748,54 6.475,55 4.619,56 0.081,57 1.124,58 17.388,59 8.631,60 12.912,61 10.272,62 0.554,63 1.93,64 39.042,65 15.104,66 40.867,67 17.808,68 0.862,69 2.482,70 58.375,71 20.955,72 68.781,73 24.838,74 0.888,75 2.919,76 67.408,77 24.938,78 97.419,79 30.413,80 1.545,81 3.12,82 75.8,83 26.243,84 142.869,85 33.917,86 1.131,87 2.949,88 75.275,89 25.266,90 108.669,91 32.952,92 1.34,93 2.805,94 79.763,95 24.215,96 125.841,97 30.611,98 1.147,99 2.599,100 69.77,101 23.469,102 107.572,103 29.774,104 59,105 74,106 0.249,107 0.53,108 0.706,109 0.799,110 0.83,111 0.848,112 3.832,113 1.031,114 -4.36,115 -4.29,116 -4.05,119 41,121 3,124 3,125 7,127 2,132 9,133 4,134 5,144 1,155 11,157 1,158 9,163 15,165 3,166 16,173 15,175 2,176 10,183 9,185 7,186 11,193 5,195 2,196 11,203 10,205 1,206 8,214 11,217 2,218 9,224 8,226 2,227 13,234 12,238 4984,239 30.581,240 30.581,241 30.581,242 30.581,243 30.581,244 28.17,245 40.151,246 17.237,247 31.915,248 24.341,249 24.341,250 24.341,251 24.341,252 24.341,253 20.443,254 49.136,255 7.726,256 26.298,257 4.722,258 2.859,259 1.696,260 1.079,261 0.874,262 0.75,263 4.539,264 2,267 1,268 1436,269 4.472,271 117.564,272 778.376,274 220.02,277 2.213,278 55.538,280 0.75,281 0.67,282 0.83,283 0.9,284 1,285 0.83,286 1,287 0.85,288 97.667,289 657,290 4.8,291 5.161,292 8,293 4.599,294 3.668,295 4.173,296 3.52,297 15.268,298 3.412,299 4.615,300 3.932,301 7.657,302 4.477,303 3.521,304 4.148,305 1.2,306 14.083,307 3.362,308 4.462,309 3.664,310 6.578,311 4.075,312 3.113,313 4.01,314 1.151,315 10.438,316 3.001,317 4.097,318 3.332,319 6.306,320 3.742,321 2.795,322 3.466,323 0.86,324 9.359,325 2.639,326 3.996,327 3.307,328 5.939,329 3.582,330 2.698,331 3.323,332 0.86,333 8.107,334 2.434,335 3.786,336 3.277,337 5.913,338 3.482,339 2.522,340 3.141,341 0.86,342 8.005,343 2.3,344 3.428,345 2.77,346 5.342,347 3.242,348 2.308,349 2.604,350 0.8,351 6.863,352 2.13,353 3.355,354 2.758,355 5.26,356 2.972,357 2.061,358 2.468,359 0.57,360 6.251,361 1.884,362 3.244,363 2.555,364 5.19,365 2.961,366 2.015,367 2.401,368 0.293,369 6.118,370 1.867,371 3.125,372 2.326,373 5.126,374 2.711,375 1.804,376 2.228,378 5.307,379 1.615,380 2.971,381 2.154,382 4.963,383 2.592,384 1.648,385 2.086,387 5.072,388 1.504,389 2.839,390 2.079,391 4.148,392 2.338,393 1.414,394 1.97,396 3.518,397 1.32,398 2.819,399 1.896,400 4.045,401 2.305,402 1.354,403 1.945,405 3.022,406 1.199,407 2.524,408 1.765,409 4.003,410 2.225,411 1.294,412 1.496,414 2.958,415 1.189,416 2.462,417 1.602,418 3.821,419 2.094,420 1.138,421 1.403,423 2.871,424 1.08,425 22.062,426 0.49,427 1.201,428 0.027,429 52,430 1.156,431 22.5,432 0.5,433 29.5,434 0.656,435 55.59,436 1.235,437 49.938,438 0.602,439 47.489,440 1.055,441 10.016,442 0.223,443 11.714,444 0.26,445 0.163,446 0.045,447 0.301,450 0.707,451 1.344,452 0.653,453 1.089,454 0.577,455 0.971,456 1.11,457 0.919,458 0.801,459 0.801,460 0.692,461 0.773,462 0.946,463 1.107,464 0.933,465 1.057,466 0.884,467 1.015,468 0.986,469 1.275,470 1.001,471 1.217,472 1.217,473 1.182,474 0.883,475 0.996,476 0.738,477 0.883,478 0.99,479 0.973,480 0.831,481 1.079,482 0.855,483 0.971,484 0.818,485 1.018,486 1.212,487 0.874,488 1.058,489 0.874,490 1.314,491 0.95,492 0.899,493 0.975,494 0.963,495 0.975,496 0.976,497 1.033,498 11,499 0.473,500 7.556,501 4.424,502 3.214,503 2.444,504 1.149,505 0.832,506 0.937,507 0.668,508 35195,509 100838,510 2.082,511 45.8,513 32,519 6,520 1.832,521 1.929,522 3.775,523 -0.751,527 137.224,528 1.653,529 3.516,530 4.679,531 5.296,532 5.501,533 5.625,534 3.228,535 5.014,536 5.464,537 3.998,538 3957.7,539 9.711,540 73145.3,544 529.128,545 1.63,546 5.406,547 0.22,548 0.007,549 0.102,550 0.051,551 0.04,552 0.032,553 0.016,554 0.012,555 0.014,556 0.009,557 0.503,558 0.17,559 0.75,560 0.8,561 260.713,562 0.008,563 -0.168,564 0.077,565 -0.065,566 -0.023,567 -0.003,568 -0.127,569 0.212,570 0.047,571 0.202,572 -0.018,573 0.175,574 0.019,575 -0.019,576 -0.008,577 -0.028,578 0.039,579 -0.047,580 -0.055,581 -0.229,582 -0.146,583 -0.214,584 -0.084,585 -0.208,586 0.088,587 -0.012,588 0.021,589 0.007,590 0.047,591 -0.014,592 0.032,593 -0.09,594 0.008,595 -0.056,596 0.024,597 -0.039,598 -0.147,599 0.109,600 -0.083,601 0.046,602 -0.152,603 0.013,604 0.033,606 -0.01,607 -0.026,608 -0.039,609 -0.045,610 2.137,611 6.989,612 0.711,613 57.561,614 1.008,615 1.12,616 3.13,617 9.796,618 0.682,619 3.932,620 4.317,621 4.673,622 4.949,623 5.22,624 5.333,625 5.46,626 5.565,627 5.697,628 5.838,629 8.716,630 0.641,631 673.71,632 3.932,633 5.517,634 6.412,635 7.328,636 8.241,637 9.163,638 10.082,639 11.006,640 11.928,641 12.853,642 2.4,645 1,648 1,654 9,659 9,661 18,663 1,668 3,669 2,670 83,672 20,673 3,674 50,676 88,677 34,678 18,679 9,680 9,681 1,683 6,684 7,685 2,691 2,692 2,694 3,696 19,697 15,698 2,699 2,703 2,707 1,708 1,713 38,714 8,716 11,717 3,720 2,721 0.667,722 6,732 1,733 5,735 1,749 1,752 1,753 4,755 1,757 3,758 2,761 45,763 1,766 10,768 4,771 2,772 2,777 2,778 7.2,781 2,782 1,783 3,785 23.333,786 15.852,787 9.958,788 4.906,789 2.265,790 1.253,791 0.963,792 9.84,793 11.23,794 4.127,795 4.705,796 5.274,797 5.773,798 6.271,799 6.447,800 6.673,801 6.78,802 6.897,803 7.145,804 0.9,805 86,806 16.853,807 7.419,808 7.714,809 32.384,810 27.754,811 2.214,812 99.611,815 447.302,816 200.871,817 6.249,818 78.297,819 91.301,821 19.133,822 181.738,823 616.9,824 6.249,825 32.649,826 26.749,827 104.419,828 63.006,829 71.598,831 447.302,832 78.297,833 447.302,834 187.987,835 91.301,836 97.43,838 376.675,839 150.928,840 11,841 29.873,842 158.114,843 78.297,844 19.133,845 447.302,846 97.55,847 279.168,850 466.435,851 63.803,852 124.184,854 169.598,855 447.302,856 97.55,857 279.168,859 0.591,860 0.376,861 0.203,862 0.113,863 37,864 17,865 0.091,866 8,867 1,868 1.094,869 5.066,870 501.936,871 0.063,872 33,873 235.133,876 1,878 32.76,879 13.516,880 6.156,882 97.55,883 17.276,888 5.935,891 824.02,892 61,896 27.327,900 -0.163,901 -0.914,902 83.68,903 92.95,904 0.259,905 0.551,906 0.734,907 0.831,908 0.863,909 0.882,910 5.427,911 2.061,912 6.454,913 6.863,914 5.004,915 5.394,916 3.62,917 7.392,918 4.866,919 6.647,920 2.015,921 8.105,922 6.251,923 4.844,924 5.33,925 0.57,926 8.825,927 4.619,928 7.995,929 1.804,930 9.875,931 6.118,932 6.772,933 7.556,934 5.765,935 11.938,936 6.524,937 9.381,938 1.648,939 11.721,940 5.307,941 7.462,942 8.287,943 0.801,944 14.239,945 7.133,946 10.803,947 1.414,948 13.619,949 5.072,950 8.912,951 10.037,952 8.247,953 17.008,954 8.555,955 12.25,956 1.354,957 15.556,958 3.518,959 9.951,960 11.114,961 1.074,962 19.588,963 9.52,964 13.717,965 1.294,966 17.521,967 3.022,968 11.257,969 12.682,970 10.761,971 22.292,972 10.785,973 3.668,974 1.138,975 19.508,976 2.958,977 12.435,978 13.921,979 1.404,980 24.955,981 11.895,982 3.521,983 15.268,984 21.512,985 2.871,986 13.705,987 15.41,988 13.278,989 27.652,990 13.113,991 3.113,992 14.083,993 23.529,994 4.173,995 14.939,996 16.731,997 1.768,998 30.342,999 14.281,1000 2.795,1001 10.438,1002 25.556,1003 4.148,1004 16.204,1005 18.181,1006 15.794,1007 33.042,1008 15.488,1009 2.698,1010 9.359,1011 27.591,1012 4.01,1013 17.461,1014 19.545,1015 2.15,1016 35.741,1017 16.68,1018 2.522,1019 8.107,1020 29.633,1021 3.466,1022 18.731,1023 20.978,1024 18.311,1025 38.445,1026 17.888,1027 2.308,1028 8.005,1029 31.679,1030 3.323,1031 20,1032 22.366,1033 2.538,1034 41.15,1035 19.091,1036 32905,1037 55878,1038 32.997,1039 56.568,1040 76.11,1041 80.512,1042 81.786,1043 75.694,1044 75.534,1045 91.244,1046 20.227,1047 233.805,1048 69.909,1049 5.8,1050 7.161,1051 7.68,1052 5.711,1053 5.668,1054 7.173,1055 7.04,1056 23.343,1057 5.412,1058 25.075,1059 1.522,1060 1.61,1061 1.636,1062 1.514,1063 1.511,1064 1.825,1065 0.405,1066 4.676,1067 1.398,1068 4.1,1069 4.119,1070 4.41,1071 4.082,1072 7.428,1073 4.035,1074 4.003,1075 4.019,1076 4.128,1077 3.928,1078 7.395,1079 3.925,1080 3.923,1081 3.93,1082 3.936,1083 3.843,1084 5.048,1085 3.852,1086 3.75,1087 3.801,1088 3.744,1089 3.624,1090 4.963,1091 3.619,1092 3.689,1093 3.731,1094 3.685,1095 3.541,1096 4.732,1097 3.538,1098 3.466,1099 3.501,1100 3.581,1101 3.37,1102 4.635,1103 3.32,1104 3.34,1105 3.363,1106 3.403,1107 3.202,1108 4.58,1109 3.176,1110 3.303,1111 3.355,1112 3.364,1113 3.055,1114 4.489,1115 3.069,1116 0.096,1117 0.103,1118 0.16,1119 0.092,1120 0.073,1121 4.8,1122 0.083,1123 5.161,1124 0.07,1125 8,1126 0.305,1127 4.599,1128 0.068,1129 3.668,1130 4.173,1131 3.52,1132 15.268,1133 3.412,1134 1.959,1135 1.936,1136 2.079,1137 2.085,1138 1.463,1139 2.085,1140 1.932,1141 1.911,1142 2.03,1143 2.031,1144 1.341,1145 2.036,1146 1.881,1147 1.874,1148 1.95,1149 1.984,1150 1.142,1151 1.976,1152 1.785,1153 1.753,1154 1.923,1155 1.903,1156 1.097,1157 1.926,1158 1.65,1159 1.614,1160 1.805,1161 1.822,1162 1.017,1163 1.825,1164 1.453,1165 1.41,1166 1.673,1167 1.621,1168 0.995,1169 1.661,1170 1.282,1171 1.248,1172 1.59,1173 1.558,1174 0.825,1175 1.565,1176 1.227,1177 1.173,1178 1.573,1179 1.523,1180 0.801,1181 1.537,1182 4.615,1183 5.984,1184 2.398,1185 7.569,1186 4.949,1187 9.249,1188 7.222,1189 10.977,1191 4.589,1192 12.819,1197 6.512,1199 23.062,1202 4.239,1203 -1.069,1206 53.183,1207 137.224,1208 291.804,1209 388.321,1210 439.579,1211 456.599,1212 466.864,1213 111.658,1214 8.965,1215 77.54,1216 96.75,1217 35,1218 13.359,1219 4.392,1220 3.585,1221 68.129,1222 224,1223 247,1224 0.138,1225 328.638,1226 587.17,1227 793.638,1228 111404,1229 2.4,1230 31.769,1231 0.706,1232 0.625,1233 33.058,1234 28.104,1235 21.729,1236 0.435,1237 0.344,1238 15.043,1239 19.628,1240 14.428,1241 11.805,1242 22.944,1243 17.189,1244 19.686,1245 0.266,1246 0.195,1247 21.283,1248 14.421,1249 18.184,1250 0.172,1251 0.117,1252 20.168,1253 12.369,1254 14.985,1255 0.107,1256 0.066,1257 16.47,1258 9.252,1259 12.683,1260 0.069,1261 0.039,1262 14.107,1263 7.103,1264 0.217,1265 149.641,1266 0.174,1267 39.07,1268 0.379,1269 248,1270 732.971,1271 332.449,1272 765.495,1273 1019.81,1274 716,1275 304,1276 669.445,1277 388.895,1278 720.264,1279 1063.28,1280 672,1281 8.509}
{0 CHEMBL2115416,1 1.653,2 14.6,3 4.548,4 20.685,5 178.641,6 8.117,7 0.36,8 4.52,9 4.613,10 4.219,11 4.091,12 5.55,13 4.05,14 5.119,15 5.273,16 4.624,17 4.538,18 6.088,19 4.478,20 5.399,21 5.553,22 4.855,23 4.778,24 6.436,25 4.692,26 5.58,27 5.762,28 4.755,29 4.841,30 6.57,31 4.729,32 5.691,33 5.92,34 4.713,35 4.82,36 6.672,37 4.701,38 5.632,39 5.864,40 4.695,41 4.791,42 6.557,43 4.661,44 5.615,45 5.844,46 4.653,47 4.757,48 6.552,49 4.632,50 5.529,51 5.742,52 4.699,53 4.748,54 6.475,55 4.619,56 0.081,57 1.124,58 17.388,59 8.631,60 12.912,61 10.272,62 0.554,63 1.93,64 39.042,65 15.104,66 40.867,67 17.808,68 0.862,69 2.482,70 58.375,71 20.955,72 68.781,73 24.838,74 0.888,75 2.919,76 67.408,77 24.938,78 97.419,79 30.413,80 1.545,81 3.12,82 75.8,83 26.243,84 142.869,85 33.917,86 1.131,87 2.949,88 75.275,89 25.266,90 108.669,91 32.952,92 1.34,93 2.805,94 79.763,95 24.215,96 125.841,97 30.611,98 1.147,99 2.599,100 69.77,101 23.469,102 107.572,103 29.774,104 59,105 74,106 0.249,107 0.53,108 0.706,109 0.799,110 0.83,111 0.848,112 3.832,113 1.031,114 -4.36,115 -4.29,116 -4.05,119 41,121 3,124 3,125 7,127 2,132 9,133 4,134 5,144 1,155 11,157 1,158 9,163 15,165 3,166 16,173 15,175 2,176 10,183 9,185 7,186 11,193 5,195 2,196 11,203 10,205 1,206 8,214 11,217 2,218 9,224 8,226 2,227 13,234 12,238 4984,239 30.581,240 30.581,241 30.581,242 30.581,243 30.581,244 28.17,245 40.151,246 17.237,247 31.915,248 24.341,249 24.341,250 24.341,251 24.341,252 24.341,253 20.443,254 49.136,255 7.726,256 26.298,257 4.722,258 2.859,259 1.696,260 1.079,261 0.874,262 0.75,263 4.539,264 2,267 1,268 1436,269 4.472,271 117.564,272 778.376,274 220.02,277 2.213,278 55.538,280 0.75,281 0.67,282 0.83,283 0.9,284 1,285 0.83,286 1,287 0.85,288 97.667,289 657,290 4.8,291 5.161,292 8,293 4.599,294 3.668,295 4.173,296 3.52,297 15.268,298 3.412,299 4.615,300 3.932,301 7.657,302 4.477,303 3.521,304 4.148,305 1.2,306 14.083,307 3.362,308 4.462,309 3.664,310 6.578,311 4.075,312 3.113,313 4.01,314 1.151,315 10.438,316 3.001,317 4.097,318 3.332,319 6.306,320 3.742,321 2.795,322 3.466,323 0.86,324 9.359,325 2.639,326 3.996,327 3.307,328 5.939,329 3.582,330 2.698,331 3.323,332 0.86,333 8.107,334 2.434,335 3.786,336 3.277,337 5.913,338 3.482,339 2.522,340 3.141,341 0.86,342 8.005,343 2.3,344 3.428,345 2.77,346 5.342,347 3.242,348 2.308,349 2.604,350 0.8,351 6.863,352 2.13,353 3.355,354 2.758,355 5.26,356 2.972,357 2.061,358 2.468,359 0.57,360 6.251,361 1.884,362 3.244,363 2.555,364 5.19,365 2.961,366 2.015,367 2.401,368 0.293,369 6.118,370 1.867,371 3.125,372 2.326,373 5.126,374 2.711,375 1.804,376 2.228,378 5.307,379 1.615,380 2.971,381 2.154,382 4.963,383 2.592,384 1.648,385 2.086,387 5.072,388 1.504,389 2.839,390 2.079,391 4.148,392 2.338,393 1.414,394 1.97,396 3.518,397 1.32,398 2.819,399 1.896,400 4.045,401 2.305,402 1.354,403 1.945,405 3.022,406 1.199,407 2.524,408 1.765,409 4.003,410 2.225,411 1.294,412 1.496,414 2.958,415 1.189,416 2.462,417 1.602,418 3.821,419 2.094,420 1.138,421 1.403,423 2.871,424 1.08,425 22.062,426 0.49,427 1.201,428 0.027,429 52,430 1.156,431 22.5,432 0.5,433 29.5,434 0.656,435 55.59,436 1.235,437 49.938,438 0.602,439 47.489,440 1.055,441 10.016,442 0.223,443 11.714,444 0.26,445 0.163,446 0.045,447 0.301,450 0.707,451 1.344,452 0.653,453 1.089,454 0.577,455 0.971,456 1.11,457 0.919,458 0.801,459 0.801,460 0.692,461 0.773,462 0.946,463 1.107,464 0.933,465 1.057,466 0.884,467 1.015,468 0.986,469 1.275,470 1.001,471 1.217,472 1.217,473 1.182,474 0.883,475 0.996,476 0.738,477 0.883,478 0.99,479 0.973,480 0.831,481 1.079,482 0.855,483 0.971,484 0.818,485 1.018,486 1.212,487 0.874,488 1.058,489 0.874,490 1.314,491 0.95,492 0.899,493 0.975,494 0.963,495 0.975,496 0.976,497 1.033,498 11,499 0.473,500 7.556,501 4.424,502 3.214,503 2.444,504 1.149,505 0.832,506 0.937,507 0.668,508 35195,509 100838,510 2.082,511 45.8,513 32,519 6,520 1.832,521 1.929,522 3.775,523 -0.751,527 137.224,528 1.653,529 3.516,530 4.679,531 5.296,532 5.501,533 5.625,534 3.228,535 5.014,536 5.464,537 3.998,538 3957.7,539 9.711,540 73145.3,544 529.128,545 1.63,546 5.406,547 0.22,548 0.007,549 0.102,550 0.051,551 0.04,552 0.032,553 0.016,554 0.012,555 0.014,556 0.009,557 0.503,558 0.17,559 0.75,560 0.8,561 260.713,562 0.008,563 -0.168,564 0.077,565 -0.065,566 -0.023,567 -0.003,568 -0.127,569 0.212,570 0.047,571 0.202,572 -0.018,573 0.175,574 0.019,575 -0.019,576 -0.008,577 -0.028,578 0.039,579 -0.047,580 -0.055,581 -0.229,582 -0.146,583 -0.214,584 -0.084,585 -0.208,586 0.088,587 -0.012,588 0.021,589 0.007,590 0.047,591 -0.014,592 0.032,593 -0.09,594 0.008,595 -0.056,596 0.024,597 -0.039,598 -0.147,599 0.109,600 -0.083,601 0.046,602 -0.152,603 0.013,604 0.033,606 -0.01,607 -0.026,608 -0.039,609 -0.045,610 2.137,611 6.989,612 0.711,613 57.561,614 1.008,615 1.12,616 3.13,617 9.796,618 0.682,619 3.932,620 4.317,621 4.673,622 4.949,623 5.22,624 5.333,625 5.46,626 5.565,627 5.697,628 5.838,629 8.716,630 0.641,631 673.71,632 3.932,633 5.517,634 6.412,635 7.328,636 8.241,637 9.163,638 10.082,639 11.006,640 11.928,641 12.853,642 2.4,645 1,648 1,654 9,659 9,661 18,663 1,668 3,669 2,670 83,672 20,673 3,674 50,676 88,677 34,678 18,679 9,680 9,681 1,683 6,684 7,685 2,691 2,692 2,694 3,696 19,697 15,698 2,699 2,703 2,707 1,708 1,713 38,714 8,716 11,717 3,720 2,721 0.667,722 6,732 1,733 5,735 1,749 1,752 1,753 4,755 1,757 3,758 2,761 45,763 1,766 10,768 4,771 2,772 2,777 2,778 7.2,781 2,782 1,783 3,785 23.333,786 15.852,787 9.958,788 4.906,789 2.265,790 1.253,791 0.963,792 9.84,793 11.23,794 4.127,795 4.705,796 5.274,797 5.773,798 6.271,799 6.447,800 6.673,801 6.78,802 6.897,803 7.145,804 0.9,805 86,806 16.853,807 7.419,808 7.714,809 32.384,810 27.754,811 2.214,812 99.611,815 447.302,816 200.871,817 6.249,818 78.297,819 91.301,821 19.133,822 181.738,823 616.9,824 6.249,825 32.649,826 26.749,827 104.419,828 63.006,829 71.598,831 447.302,832 78.297,833 447.302,834 187.987,835 91.301,836 97.43,838 376.675,839 150.928,840 11,841 29.873,842 158.114,843 78.297,844 19.133,845 447.302,846 97.55,847 279.168,850 466.435,851 63.803,852 124.184,854 169.598,855 447.302,856 97.55,857 279.168,859 0.591,860 0.376,861 0.203,862 0.113,863 37,864 17,865 0.091,866 8,867 1,868 1.094,869 5.066,870 501.936,871 0.063,872 33,873 235.133,876 1,878 32.76,879 13.516,880 6.156,882 97.55,883 17.276,888 5.935,891 824.02,892 61,896 27.327,900 -0.163,901 -0.914,902 83.68,903 92.95,904 0.259,905 0.551,906 0.734,907 0.831,908 0.863,909 0.882,910 5.427,911 2.061,912 6.454,913 6.863,914 5.004,915 5.394,916 3.62,917 7.392,918 4.866,919 6.647,920 2.015,921 8.105,922 6.251,923 4.844,924 5.33,925 0.57,926 8.825,927 4.619,928 7.995,929 1.804,930 9.875,931 6.118,932 6.772,933 7.556,934 5.765,935 11.938,936 6.524,937 9.381,938 1.648,939 11.721,940 5.307,941 7.462,942 8.287,943 0.801,944 14.239,945 7.133,946 10.803,947 1.414,948 13.619,949 5.072,950 8.912,951 10.037,952 8.247,953 17.008,954 8.555,955 12.25,956 1.354,957 15.556,958 3.518,959 9.951,960 11.114,961 1.074,962 19.588,963 9.52,964 13.717,965 1.294,966 17.521,967 3.022,968 11.257,969 12.682,970 10.761,971 22.292,972 10.785,973 3.668,974 1.138,975 19.508,976 2.958,977 12.435,978 13.921,979 1.404,980 24.955,981 11.895,982 3.521,983 15.268,984 21.512,985 2.871,986 13.705,987 15.41,988 13.278,989 27.652,990 13.113,991 3.113,992 14.083,993 23.529,994 4.173,995 14.939,996 16.731,997 1.768,998 30.342,999 14.281,1000 2.795,1001 10.438,1002 25.556,1003 4.148,1004 16.204,1005 18.181,1006 15.794,1007 33.042,1008 15.488,1009 2.698,1010 9.359,1011 27.591,1012 4.01,1013 17.461,1014 19.545,1015 2.15,1016 35.741,1017 16.68,1018 2.522,1019 8.107,1020 29.633,1021 3.466,1022 18.731,1023 20.978,1024 18.311,1025 38.445,1026 17.888,1027 2.308,1028 8.005,1029 31.679,1030 3.323,1031 20,1032 22.366,1033 2.538,1034 41.15,1035 19.091,1036 32905,1037 55878,1038 32.997,1039 56.568,1040 76.11,1041 80.512,1042 81.786,1043 75.694,1044 75.534,1045 91.244,1046 20.227,1047 233.805,1048 69.909,1049 5.8,1050 7.161,1051 7.68,1052 5.711,1053 5.668,1054 7.173,1055 7.04,1056 23.343,1057 5.412,1058 25.075,1059 1.522,1060 1.61,1061 1.636,1062 1.514,1063 1.511,1064 1.825,1065 0.405,1066 4.676,1067 1.398,1068 4.1,1069 4.119,1070 4.41,1071 4.082,1072 7.428,1073 4.035,1074 4.003,1075 4.019,1076 4.128,1077 3.928,1078 7.395,1079 3.925,1080 3.923,1081 3.93,1082 3.936,1083 3.843,1084 5.048,1085 3.852,1086 3.75,1087 3.801,1088 3.744,1089 3.624,1090 4.963,1091 3.619,1092 3.689,1093 3.731,1094 3.685,1095 3.541,1096 4.732,1097 3.538,1098 3.466,1099 3.501,1100 3.581,1101 3.37,1102 4.635,1103 3.32,1104 3.34,1105 3.363,1106 3.403,1107 3.202,1108 4.58,1109 3.176,1110 3.303,1111 3.355,1112 3.364,1113 3.055,1114 4.489,1115 3.069,1116 0.096,1117 0.103,1118 0.16,1119 0.092,1120 0.073,1121 4.8,1122 0.083,1123 5.161,1124 0.07,1125 8,1126 0.305,1127 4.599,1128 0.068,1129 3.668,1130 4.173,1131 3.52,1132 15.268,1133 3.412,1134 1.959,1135 1.936,1136 2.079,1137 2.085,1138 1.463,1139 2.085,1140 1.932,1141 1.911,1142 2.03,1143 2.031,1144 1.341,1145 2.036,1146 1.881,1147 1.874,1148 1.95,1149 1.984,1150 1.142,1151 1.976,1152 1.785,1153 1.753,1154 1.923,1155 1.903,1156 1.097,1157 1.926,1158 1.65,1159 1.614,1160 1.805,1161 1.822,1162 1.017,1163 1.825,1164 1.453,1165 1.41,1166 1.673,1167 1.621,1168 0.995,1169 1.661,1170 1.282,1171 1.248,1172 1.59,1173 1.558,1174 0.825,1175 1.565,1176 1.227,1177 1.173,1178 1.573,1179 1.523,1180 0.801,1181 1.537,1182 4.615,1183 5.984,1184 2.398,1185 7.569,1186 4.949,1187 9.249,1188 7.222,1189 10.977,1191 4.589,1192 12.819,1197 6.512,1199 23.062,1202 4.239,1203 -1.069,1206 53.183,1207 137.224,1208 291.804,1209 388.321,1210 439.579,1211 456.599,1212 466.864,1213 111.658,1214 8.965,1215 77.54,1216 96.75,1217 35,1218 13.359,1219 4.392,1220 3.585,1221 68.129,1222 224,1223 247,1224 0.138,1225 328.638,1226 587.17,1227 793.638,1228 111404,1229 2.4,1230 31.769,1231 0.706,1232 0.625,1233 33.058,1234 28.104,1235 21.729,1236 0.435,1237 0.344,1238 15.043,1239 19.628,1240 14.428,1241 11.805,1242 22.944,1243 17.189,1244 19.686,1245 0.266,1246 0.195,1247 21.283,1248 14.421,1249 18.184,1250 0.172,1251 0.117,1252 20.168,1253 12.369,1254 14.985,1255 0.107,1256 0.066,1257 16.47,1258 9.252,1259 12.683,1260 0.069,1261 0.039,1262 14.107,1263 7.103,1264 0.217,1265 149.641,1266 0.174,1267 39.07,1268 0.379,1269 248,1270 732.971,1271 332.449,1272 765.495,1273 1019.81,1274 716,1275 304,1276 669.445,1277 388.895,1278 720.264,1279 1063.28,1280 672,1281 6}
{0 CHEMBL217406,1 1.687,2 26.582,3 -3.303,4 10.912,5 286.799,6 7.129,7 0.138,8 5.126,9 5.268,10 4.607,11 4.531,12 6.285,13 4.513,14 5.681,15 5.874,16 4.936,17 4.919,18 6.837,19 4.859,20 6.033,21 6.26,22 5.067,23 5.092,24 7.205,25 5.022,26 6.162,27 6.403,28 5.181,29 5.147,30 7.384,31 5.103,32 6.189,33 6.402,34 5.345,35 5.206,36 7.674,37 5.177,38 6.272,39 6.491,40 5.327,41 5.296,42 7.549,43 5.248,44 6.371,45 6.599,46 5.35,47 5.362,48 7.62,49 5.311,50 6.416,51 6.646,52 5.442,53 5.409,54 7.846,55 5.345,56 0.422,57 2.262,58 36.583,59 13.307,60 72.091,61 18.969,62 1.275,63 3.364,64 70.279,65 22.291,66 199.127,67 33.028,68 2.529,69 4.026,70 101.815,71 27.96,72 370.262,73 42.535,74 2.912,75 4.292,76 118.535,77 27.822,78 462.59,79 44.739,80 3.971,81 4.527,82 121.972,83 29.556,84 739.504,85 46.289,86 3.593,87 4.916,88 131.589,89 33.819,90 566.231,91 51.08,92 3.707,93 5.215,94 145.293,95 35.757,96 616.598,97 55.426,98 4.849,99 5.424,100 153.904,101 39.699,102 903.669,103 60.832,104 629,105 106,106 0.226,107 0.497,108 0.722,109 0.845,110 0.904,111 0.91,112 4.383,113 1.019,114 3.25,115 2.94,116 2.42,119 31.4,120 5,121 8,122 2,124 1,125 4,126 10,132 5,133 1,136 1,140 1,144 11,146 1,148 3,149 3,150 3,152 1,154 1,155 14,156 1,158 2,159 1,160 12,162 10,163 14,164 2,166 7,167 1,168 10,169 12,170 15,171 1,172 2,173 5,174 2,176 12,177 1,178 1,179 4,180 3,181 13,182 1,183 1,184 1,185 11,186 12,187 1,188 1,189 14,190 2,191 14,192 1,193 3,194 2,195 1,196 14,197 1,198 11,199 13,200 19,201 1,202 3,203 7,204 2,206 15,207 1,208 1,209 4,210 4,211 15,212 3,213 1,214 9,215 1,216 2,217 10,218 13,219 1,220 2,221 16,222 3,223 17,224 11,225 2,226 1,227 13,228 1,229 10,230 12,231 19,232 1,233 5,234 13,235 2,236 2,237 1,238 23723,239 50.887,240 50.887,241 50.887,242 50.887,243 50.887,244 47.929,245 49.212,246 30.664,247 51.679,248 39.235,249 39.235,250 39.235,251 39.235,252 39.235,253 34.335,254 42.008,255 14.349,256 40.245,257 5.626,258 3.604,259 1.921,260 1.007,261 0.569,262 0.519,263 5.047,268 4204,269 9.592,271 341.047,272 389.651,277 4.21,278 176.881,280 0.25,281 0.17,282 0.33,283 0.6,284 1,285 0.17,287 0.36,288 179,289 2100,290 4.165,291 4.093,292 6.4,293 4.002,294 3.022,295 3.5,296 2.95,297 9.715,298 2.955,299 4.139,300 3.886,301 6.381,302 3.979,303 2.995,304 3.477,305 2.341,306 9.632,307 2.937,308 4.064,309 3.85,310 6.181,311 3.891,312 2.905,313 3.32,314 2.011,315 9.102,316 2.854,317 4.054,318 3.81,319 6.141,320 3.878,321 2.892,322 3.265,323 2.004,324 9.009,325 2.843,326 4.01,327 3.797,328 6.089,329 3.819,330 2.832,331 3.223,332 1.993,333 8.794,334 2.787,335 3.957,336 3.74,337 6.028,338 3.739,339 2.749,340 3.202,341 1.978,342 8.584,343 2.716,344 3.884,345 3.688,346 5.85,347 3.636,348 2.643,349 3.112,350 1.961,351 8.001,352 2.617,353 3.818,354 3.636,355 5.849,356 3.616,357 2.628,358 3.016,359 1.944,360 7.982,361 2.595,362 3.81,363 3.604,364 5.817,365 3.557,366 2.564,367 2.964,368 1.927,369 7.875,370 2.541,371 3.695,372 3.59,373 5.291,374 3.368,375 2.366,376 2.88,377 1.912,378 6.725,379 2.366,380 3.671,381 3.523,382 5.288,383 3.33,384 2.355,385 2.841,386 1.901,387 6.662,388 2.282,389 3.54,390 3.506,391 5.021,392 3.259,393 2.247,394 2.695,395 1.894,396 5.96,397 2.261,398 3.453,399 2.745,400 4.725,401 3.076,402 2.064,403 2.607,404 0.423,405 5.097,406 2.063,407 3.151,408 2.735,409 4.67,410 3.06,411 2.051,412 2.159,413 0.401,414 5.044,415 2.057,416 3.057,417 2.609,418 4.653,419 2.832,420 1.824,421 2.099,422 0.366,423 4.775,424 1.829,425 36.1,426 0.457,427 2.279,428 0.029,429 76.25,430 0.965,431 26.5,432 0.335,433 49.75,434 0.63,435 125.966,436 1.595,437 95.9,438 0.603,439 106.895,440 1.353,441 14.682,442 0.186,443 22.625,444 0.286,445 0.246,447 0.346,450 0.837,451 1.529,452 0.893,453 1.227,454 0.698,455 1.111,456 0.588,457 1.456,458 1.001,459 1.371,460 0.562,461 1.207,462 0.945,463 1.054,464 0.993,465 1.061,466 1.007,467 1.079,468 1.202,469 1.016,470 0.938,471 0.885,472 1.177,473 0.885,474 0.991,475 1.098,476 0.902,477 0.981,478 1.012,479 0.955,480 1.184,481 1.002,482 1.037,483 1.009,484 1.251,485 1.03,486 1.334,487 1.012,488 1.039,489 0.946,490 1.327,491 0.981,492 0.938,493 1.02,494 0.921,495 0.978,496 0.949,497 0.974,498 19,499 1.082,500 9.111,501 5.66,502 5.546,503 3.396,504 2.458,505 2.503,506 1.585,507 1.214,508 158163,509 491396,510 1.858,511 50.3,512 15,513 26,514 1,515 1,516 19,517 4,518 12,519 2,520 1.953,521 1.687,522 4.612,523 13.05,527 268.195,528 1.687,529 3.709,530 5.392,531 6.306,532 6.744,533 6.794,534 4.105,535 5.956,536 6.273,537 4.857,538 14964.4,539 11.325,540 455059,544 1162.75,545 1.573,546 6.191,547 0.237,548 0.008,549 0.086,550 0.049,551 0.043,552 0.023,553 0.017,554 0.017,555 0.01,556 0.008,557 0.497,558 0.17,559 0.38,560 2.297,561 545.405,562 -0.133,563 -0.07,564 -0.006,565 0.042,566 -0.083,567 0.037,568 0.13,569 -0.181,570 -0.025,571 -0.159,572 0.075,573 -0.101,574 0.016,575 0.028,576 -0.051,577 -0.058,578 -0.074,579 -0.073,580 -0.115,581 -0.008,582 0.03,583 0.047,584 -0.086,585 0.077,586 0.181,587 -0.047,588 0.085,589 -0.005,590 0.21,591 0.018,592 -0.049,593 0.055,594 -0.062,595 -0.03,596 -0.089,597 -0.051,598 -0.173,599 -0.004,600 -0.074,601 0.003,602 -0.138,603 -0.012,604 0.172,605 -0.028,606 0.057,607 0.005,608 0.197,609 0.014,610 3.33,611 7.081,612 0.139,613 178.415,614 1.014,615 1.148,616 -4.48,617 20.07,618 0.611,619 4.394,620 4.673,621 4.82,622 4.97,623 5.088,624 5.075,625 5.13,626 5.209,627 5.147,628 5.153,629 15.16,630 0.584,631 1133.51,632 4.394,633 5.922,634 6.723,635 7.569,636 8.394,637 9.241,638 10.077,639 10.925,640 11.765,641 12.614,642 8.8,643 2,648 10,649 1,651 1,654 7,655 1,656 1,659 2,661 11,670 159,672 22,673 1,674 80,676 160,677 50,678 9,679 1,680 5,683 2,684 2,688 7,694 18,696 20,697 30,698 2,699 11,703 11,707 11,713 80,714 27,715 19,716 29,717 1,719 1,720 14,721 1,722 14,723 1,724 1,732 1,733 1,741 1,742 9,744 1,747 2,751 3,753 2,754 1,755 1,757 6,761 79,762 3,765 3,766 12,767 9,769 1,770 12,778 8.8,779 2,780 1,781 11,785 46.833,786 27.883,787 18.139,788 9.09,789 0.906,790 1.11,791 0.872,792 32.676,793 9.166,794 4.58,795 4.975,796 5.226,797 5.506,798 5.747,799 5.613,800 5.744,801 5.961,802 5.912,803 5.968,804 0.944,805 115,806 30.382,807 13.552,808 8.266,809 53.975,810 42.73,811 2.766,812 218.5,815 718.037,816 227.869,817 294.359,819 404.644,821 32.22,822 195.65,823 1122.68,824 294.359,825 51.316,826 286.176,827 141.795,828 404.409,829 22.728,830 11.771,831 726.715,833 718.037,834 490.009,835 404.644,836 32.22,838 553.242,839 484.073,840 85.367,841 358.463,842 114.761,843 16.786,844 32.22,845 718.037,846 699.004,847 227.869,850 718.037,851 111.506,852 116.364,853 178.882,854 520.121,855 718.037,856 699.004,857 227.869,859 0.571,860 0.317,861 0.161,862 0.089,863 31,864 25,865 0.231,866 37,868 1,869 7.153,870 915.54,872 11,873 487.999,874 1,878 69.898,879 36.931,880 26.292,882 682.218,883 11.191,884 4.029,885 2.738,888 0.987,890 405.624,891 1644.91,892 96.5,896 146.007,900 -10.931,902 161.243,903 182.529,904 0.231,905 0.507,906 0.737,907 0.862,908 0.922,909 0.929,910 5.828,911 2.628,912 6.711,913 8.001,914 5.361,915 5.665,916 4.528,917 7.467,918 5.321,919 6.98,920 2.564,921 8.252,922 7.982,923 5.017,924 5.447,925 3.883,926 8.302,927 5,928 8.247,929 2.366,930 9.893,931 7.875,932 6.913,933 7.52,934 5.952,935 11.335,936 6.839,937 9.536,938 2.355,939 11.588,940 6.725,941 7.334,942 8.043,943 5.617,944 12.942,945 7.277,946 10.854,947 2.247,948 13.318,949 6.662,950 8.73,951 9.639,952 7.678,953 15.494,954 8.626,955 12.188,956 2.064,957 15.07,958 5.96,959 9.488,960 10.474,961 7.172,962 17.427,963 9.39,964 13.534,965 2.051,966 16.839,967 5.097,968 10.688,969 11.89,970 9.6,971 19.792,972 10.553,973 3.022,974 1.824,975 18.62,976 5.044,977 11.606,978 12.871,979 8.685,980 21.877,981 11.465,982 2.995,983 9.715,984 20.409,985 4.775,986 12.725,987 14.208,988 11.64,989 24.164,990 12.554,991 2.905,992 9.632,993 22.205,994 3.5,995 13.72,996 15.267,997 10.196,998 26.323,999 13.537,1000 2.892,1001 9.102,1002 24.007,1003 3.477,1004 14.806,1005 16.566,1006 13.742,1007 28.578,1008 14.597,1009 2.832,1010 9.009,1011 25.813,1012 3.32,1013 15.838,1014 17.67,1015 11.724,1016 30.776,1017 15.613,1018 2.749,1019 8.794,1020 27.623,1021 3.265,1022 16.913,1023 18.948,1024 15.874,1025 33.019,1026 16.665,1027 2.643,1028 8.584,1029 29.436,1030 3.223,1031 17.965,1032 20.084,1033 13.274,1034 35.238,1035 17.698,1036 159928,1037 282269,1038 48.953,1039 97.217,1040 118.263,1041 127.148,1042 122.737,1043 115.804,1044 116.084,1045 135.271,1046 54.097,1047 317.461,1048 113.583,1049 5.16,1050 6.093,1051 6.309,1052 5.066,1053 5.022,1054 6.5,1055 5.9,1056 16.4,1057 4.955,1058 65.817,1059 1.478,1060 1.589,1061 1.534,1062 1.448,1063 1.451,1064 1.691,1065 0.676,1066 3.968,1067 1.42,1068 4.016,1069 4.066,1070 3.948,1071 3.891,1072 7.477,1073 3.889,1074 3.922,1075 3.974,1076 3.858,1077 3.776,1078 7.45,1079 3.789,1080 3.877,1081 3.923,1082 3.855,1083 3.707,1084 7.434,1085 3.722,1086 3.851,1087 3.898,1088 3.797,1089 3.666,1090 7.431,1091 3.681,1092 3.809,1093 3.857,1094 3.758,1095 3.646,1096 7.43,1097 3.653,1098 3.79,1099 3.84,1100 3.722,1101 3.607,1102 7.428,1103 3.621,1104 3.717,1105 3.767,1106 3.699,1107 3.588,1108 7.426,1109 3.559,1110 3.707,1111 3.76,1112 3.624,1113 3.523,1114 7.424,1115 3.538,1116 0.052,1117 0.051,1118 0.08,1119 0.05,1120 0.038,1121 4.165,1122 0.044,1123 4.093,1124 0.037,1125 6.4,1126 0.121,1127 4.002,1128 0.037,1129 3.022,1130 3.5,1131 2.95,1132 9.715,1133 2.955,1134 1.927,1135 1.897,1136 2.057,1137 2.038,1138 1.335,1139 2.04,1140 1.804,1141 1.753,1142 2.014,1143 2.008,1144 1.315,1145 1.998,1146 1.799,1147 1.75,1148 2,1149 1.998,1150 1.263,1151 1.997,1152 1.77,1153 1.72,1154 1.978,1155 1.958,1156 1.221,1157 1.96,1158 1.738,1159 1.694,1160 1.903,1161 1.951,1162 1.219,1163 1.943,1164 1.687,1165 1.636,1166 1.876,1167 1.884,1168 1.149,1169 1.888,1170 1.681,1171 1.63,1172 1.865,1173 1.874,1174 1.114,1175 1.878,1176 1.654,1177 1.606,1178 1.841,1179 1.869,1180 1.078,1181 1.87,1182 5.081,1183 6.372,1184 2.398,1185 7.817,1186 4.443,1187 9.337,1188 6.26,1189 10.9,1191 9.761,1195 17.166,1196 30.741,1197 -0.998,1198 21.794,1200 1.45,1201 -15.436,1206 92.878,1207 268.195,1208 589.663,1209 857.264,1210 1002.71,1211 1072.22,1212 1080.22,1213 989.21,1214 8.26,1215 463.47,1216 488.77,1217 11,1218 13.174,1219 4.524,1220 4.129,1221 352.942,1222 717,1223 790,1224 0.226,1225 590.961,1226 1080.37,1227 1433.7,1228 52692,1230 59.354,1231 0.751,1232 0.585,1233 59.708,1234 46.191,1235 37.307,1236 0.466,1237 0.34,1238 25.454,1239 34.977,1240 24.684,1241 20.575,1242 37.911,1243 27.168,1244 33.415,1245 0.315,1246 0.194,1247 33.842,1248 20.526,1249 24.313,1250 0.198,1251 0.103,1252 24.592,1253 12.65,1254 18.366,1255 0.128,1256 0.057,1257 18.599,1258 8.143,1259 13.955,1260 0.087,1261 0.032,1262 14.246,1263 5.158,1264 0.369,1265 243.696,1266 0.143,1267 61.752,1268 0.586,1269 372,1270 1319.31,1271 441.779,1272 1255.54,1273 1586.88,1274 1152,1275 415,1276 1035.37,1277 475.72,1278 1038.25,1279 1489.54,1280 970,1281 5.432}
{0 CHEMBL220365,1 1.508,2 15.955,3 4.459,4 19.887,5 174.688,6 7.01,7 0.327,8 4.555,9 4.679,10 4.098,11 4.119,12 5.519,13 4.063,14 5.166,15 5.344,16 4.49,17 4.57,18 6.09,19 4.477,20 5.517,21 5.753,22 4.551,23 4.717,24 6.404,25 4.586,26 5.584,27 5.847,28 4.48,29 4.672,30 6.506,31 4.544,32 5.519,33 5.759,34 4.562,35 4.651,36 6.631,37 4.548,38 5.539,39 5.758,40 4.631,41 4.739,42 6.564,43 4.628,44 5.657,45 5.908,46 4.56,47 4.778,48 6.591,49 4.653,50 5.595,51 5.83,52 4.569,53 4.78,54 6.605,55 4.661,56 0.06,57 1.275,58 20.599,59 8.941,60 10.36,61 11.894,62 0.395,63 2.189,64 40.698,65 15.791,66 42.079,67 21.363,68 0.691,69 2.87,70 62.45,71 21.195,72 74.132,73 29.485,74 0.732,75 2.899,76 67.208,77 21.488,78 88.45,79 30.041,80 1.025,81 2.697,82 62.153,83 20.278,84 166.876,85 27.835,86 0.757,87 2.891,88 65.584,89 21.66,90 107.409,91 29.102,92 0.799,93 3.1,94 72.574,95 24.056,96 105.485,97 32.912,98 0.854,99 2.964,100 64.974,101 22.669,102 138.091,103 31.255,104 10,105 68,106 0.225,107 0.511,108 0.701,109 0.826,110 0.842,111 0.842,112 3.81,113 1.044,114 -4.26,115 -4.2,116 -3.97,119 39.8,121 9,122 1,125 5,126 2,127 1,132 10,133 2,141 2,144 3,155 17,158 5,160 3,162 5,163 21,166 8,168 2,169 2,170 8,173 11,176 9,179 1,181 6,183 5,185 3,186 7,189 2,191 9,193 12,195 1,196 10,198 1,199 1,200 11,203 12,206 12,209 1,211 8,214 16,217 1,218 6,221 1,223 6,224 26,226 1,227 10,229 1,231 6,234 20,238 4976,239 30.161,240 30.161,241 30.161,242 30.161,243 30.161,244 27.935,245 31.073,246 18.018,247 30.675,248 24.225,249 24.225,250 24.225,251 24.225,252 24.225,253 20.786,254 39.481,255 8.611,256 25.038,257 4.952,258 3.035,259 1.762,260 0.927,261 0.818,262 0.818,263 4.521,267 1,268 1555,269 4.848,271 269.305,272 704.696,274 236.312,277 2.409,278 49.477,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.81,288 94,289 702,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.731,301 6.335,302 3.969,303 3.026,304 3.69,305 1.925,306 9.735,307 2.85,308 4.042,309 3.532,310 6.1,311 3.849,312 2.865,313 3.468,314 1.058,315 8.922,316 2.814,317 3.833,318 2.943,319 5.792,320 3.662,321 2.702,322 3.215,323 0.86,324 7.785,325 2.597,326 3.813,327 2.891,328 5.614,329 3.475,330 2.489,331 3.077,332 0.8,333 7.732,334 2.455,335 3.69,336 2.768,337 5.378,338 3.433,339 2.441,340 2.704,341 0.343,342 7.097,343 2.406,344 3.42,345 2.694,346 5.243,347 3.33,348 2.342,349 2.43,350 0.14,351 6.603,352 2.309,353 3.118,354 2.584,355 4.972,356 2.984,357 2.048,358 2.298,360 5.869,361 1.91,362 3.032,363 2.344,364 4.855,365 2.749,366 1.735,367 2.223,369 4.705,370 1.744,371 3.012,372 1.992,373 4.414,374 2.516,375 1.532,376 2.131,378 4.312,379 1.511,380 2.964,381 1.914,382 4.2,383 2.49,384 1.513,385 2.052,387 3.572,388 1.488,389 2.901,390 1.782,391 4,392 2.457,393 1.488,394 1.969,396 3.3,397 1.398,398 2.585,399 1.532,400 3.626,401 2.298,402 1.414,403 1.559,405 3.037,406 1.263,407 2.5,408 1.491,409 3.618,410 2.262,411 1.286,412 1.5,414 2.9,415 1.22,416 2.428,417 1.418,418 3.592,419 2.027,420 1.047,421 1.422,423 2.688,424 1.008,425 21.267,426 0.483,427 0.959,428 0.022,429 46.5,430 1.057,431 18.5,432 0.42,433 28,434 0.636,435 54.533,436 1.239,437 48.933,438 0.556,439 39.189,440 0.891,441 8.271,442 0.188,443 13.201,444 0.3,445 0.047,446 0.024,447 0.254,450 0.726,451 1.266,452 0.829,453 1.057,454 0.528,455 1.013,456 0.817,457 1.18,458 0.946,459 1.046,460 0.543,461 1.066,462 0.935,463 1.105,464 1.015,465 1.067,466 0.844,467 1.059,468 1.254,469 0.958,470 0.975,471 0.902,472 1.345,473 0.904,474 1.277,475 0.924,476 0.883,477 0.822,478 1.478,479 0.847,480 1.276,481 1.13,482 1.117,483 1.108,484 1.502,485 1.045,486 1.308,487 0.947,488 1.026,489 0.934,490 1.369,491 0.919,492 1.24,493 0.95,494 0.95,495 0.884,496 1.325,497 0.956,498 9,499 0.337,500 4.444,501 2.542,502 2.917,503 1.121,504 1.221,505 1.01,506 0.424,507 0.433,508 36933,509 81549,510 2.145,511 50,512 4,513 22,516 3,518 11,519 4,520 1.826,521 2.054,522 3.89,523 0.673,527 132.69,528 1.508,529 3.425,530 4.697,531 5.532,532 5.641,533 5.641,534 3.373,535 4.869,536 5.426,537 4.121,538 3898.53,539 9.637,540 73588,544 568.43,545 1.285,546 5.408,547 0.184,548 0.006,549 0.065,550 0.038,551 0.046,552 0.016,553 0.017,554 0.014,555 0.006,556 0.006,557 0.397,558 0.17,559 0.75,560 0.388,561 256.371,562 -0.024,563 -0.045,564 0.068,565 0.032,567 0.043,568 0.05,569 -0.041,570 0.004,571 -0.008,572 0.051,573 -0.051,574 0.026,575 -0.058,576 -0.022,577 -0.081,578 0.005,579 -0.079,580 -0.089,581 0.035,582 0.013,583 0.025,584 -0.068,585 0.043,586 0.096,587 0.064,588 0.098,589 0.107,590 0.162,591 0.098,592 -0.036,593 -0.082,594 -0.048,595 -0.089,596 -0.039,597 -0.071,598 -0.109,599 0.036,600 -0.026,601 0.022,602 -0.076,603 0.043,604 -0.067,605 0.046,606 -0.033,607 0.05,608 -0.009,609 0.011,610 2.28,611 7.018,612 0.727,613 62.421,614 0.994,615 1.126,616 3.031,617 9.189,618 0.656,619 3.912,620 4.234,621 4.5,622 4.745,623 4.942,624 4.949,625 5.075,626 5.242,627 5.273,628 5.333,629 9.299,630 0.61,631 616.9,632 3.912,633 5.46,634 6.308,635 7.183,636 8.048,637 8.927,638 9.801,639 10.682,640 11.561,641 12.445,642 4.5,645 1,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 88,672 19,673 2,674 49,676 93,677 35,678 14,679 3,680 9,681 1,683 6,684 7,691 9,692 2,694 11,696 17,697 18,698 2,699 3,703 3,707 3,713 44,714 8,715 3,716 9,717 1,720 4,721 0.833,722 4,732 2,733 4,735 1,742 2,749 1,752 1,753 5,755 1,761 44,766 14,767 3,768 1,770 3,771 1,772 1,774 1,778 4.5,781 3,782 1,785 21.417,786 15.117,787 9.625,788 5.765,789 2.042,790 1.248,791 0.972,792 10.43,793 10.283,794 4.111,795 4.613,796 5.098,797 5.583,798 6.028,799 6.187,800 6.469,801 6.834,802 6.777,803 6.873,804 0.909,805 67,806 16.596,807 7.335,808 7.631,809 32.428,810 28.111,811 2.131,812 93.75,815 482.615,816 186.33,817 57.157,819 86.435,821 31.278,822 155.052,823 569.05,824 57.157,826 92.345,827 94.762,828 100.549,829 8.883,830 2.104,831 513.893,833 482.615,834 212.208,835 86.435,836 31.278,838 306.049,839 252.001,840 11,841 95.469,842 116.739,844 31.278,845 482.615,846 143.591,847 186.33,850 482.615,851 91.567,852 97.887,853 54.032,854 86.435,855 482.615,856 143.591,857 186.33,859 0.579,860 0.338,861 0.182,862 0.098,863 32,864 13,865 0.108,866 10,867 1,868 1.063,869 5.347,870 458.315,871 0.063,872 32,873 224.215,874 1,878 31.35,879 14.639,880 7.97,881 2.054,882 143.591,883 19.595,887 1.432,888 1.57,890 54.032,891 812.536,892 60,896 41.226,900 -0.666,902 87.465,903 99.055,904 0.233,905 0.53,906 0.727,907 0.856,908 0.873,909 0.873,910 5.371,911 2.048,912 6.293,913 6.603,914 4.92,915 5.301,916 2.937,917 7.112,918 4.859,919 6.534,920 1.735,921 7.857,922 5.869,923 4.511,924 5.027,925 2.221,926 8.244,927 4.433,928 7.826,929 1.532,930 9.536,931 4.705,932 6.547,933 7.359,934 3.792,935 11.317,936 6.429,937 9.153,938 1.513,939 11.291,940 4.312,941 7.022,942 7.965,943 3.792,944 13.414,945 6.888,946 10.519,947 1.488,948 13.102,949 3.572,950 8.512,951 9.785,952 4.925,953 16.101,954 8.344,955 11.911,956 1.414,957 14.956,958 3.3,959 9.39,960 10.812,961 5.25,962 18.555,963 9.205,964 13.325,965 1.286,966 16.845,967 3.037,968 10.683,969 12.429,970 6.173,971 21.176,972 10.471,973 3.503,974 1.047,975 18.76,976 2.9,977 11.749,978 13.672,979 6.658,980 23.748,981 11.519,982 3.026,983 13.895,984 20.699,985 2.688,986 12.979,987 15.203,988 7.469,989 26.366,990 12.728,991 2.865,992 9.735,993 22.655,994 4.425,995 14.132,996 16.559,997 8.038,998 28.976,999 13.864,1000 2.702,1001 8.922,1002 24.626,1003 3.69,1004 15.349,1005 18.055,1006 8.789,1007 31.6,1008 15.063,1009 2.489,1010 7.785,1011 26.609,1012 3.468,1013 16.544,1014 19.471,1015 9.404,1016 34.224,1017 16.242,1018 2.441,1019 7.732,1020 28.602,1021 3.215,1022 17.765,1023 20.955,1024 10.121,1025 36.851,1026 17.446,1027 2.342,1028 7.097,1029 30.602,1030 3.077,1031 18.981,1032 22.402,1033 10.762,1034 39.479,1035 18.647,1036 33870,1037 50610,1038 33.572,1039 57.716,1040 73.577,1041 75.385,1042 74.763,1043 72.931,1044 72.958,1045 87.758,1046 14.222,1047 207.462,1048 70.706,1049 5.588,1050 6.089,1051 7.429,1052 5.604,1053 5.503,1054 7.425,1055 3.48,1056 21.339,1057 5.437,1058 15.292,1059 1.502,1060 1.538,1061 1.526,1062 1.488,1063 1.489,1064 1.791,1065 0.29,1066 4.234,1067 1.443,1068 4.094,1069 4.108,1070 4.335,1071 4.109,1072 7.436,1073 4.056,1074 3.979,1075 4.017,1076 3.907,1077 3.885,1078 7.427,1079 3.88,1080 3.9,1081 3.954,1082 3.803,1083 3.791,1084 7.422,1085 3.787,1086 3.887,1087 3.926,1088 3.786,1089 3.755,1090 4.859,1091 3.754,1092 3.774,1093 3.827,1094 3.652,1095 3.621,1096 4.752,1097 3.618,1098 3.602,1099 3.653,1100 3.51,1101 3.418,1102 4.615,1103 3.431,1104 3.484,1105 3.51,1106 3.492,1107 3.396,1108 4.369,1109 3.373,1110 3.297,1111 3.365,1112 3.204,1113 3.043,1114 4.314,1115 3.066,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.588,1122 0.09,1123 4.089,1124 0.041,1125 7.627,1126 0.284,1127 4.486,1128 0.07,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.929,1135 1.902,1136 2.083,1137 2.071,1138 1.46,1139 2.078,1140 1.919,1141 1.898,1142 2.054,1143 2.02,1144 1.352,1145 2.031,1146 1.876,1147 1.82,1148 2.007,1149 1.972,1150 1.247,1151 1.991,1152 1.761,1153 1.712,1154 1.979,1155 1.942,1156 1.211,1157 1.956,1158 1.721,1159 1.684,1160 1.86,1161 1.906,1162 1.19,1163 1.894,1164 1.577,1165 1.511,1166 1.857,1167 1.751,1168 1.135,1169 1.793,1170 1.534,1171 1.507,1172 1.701,1173 1.733,1174 0.895,1175 1.723,1176 1.451,1177 1.427,1178 1.513,1179 1.558,1180 0.825,1181 1.569,1182 4.595,1183 5.916,1184 3.045,1185 7.425,1186 5.352,1187 9.014,1188 7.424,1189 10.645,1197 12.012,1198 9.478,1199 5.515,1201 0.045,1202 2.519,1203 -1.03,1206 53.668,1207 132.69,1208 301.392,1209 413.336,1210 486.82,1211 496.43,1212 496.43,1213 107.946,1214 8.24,1215 99.77,1216 128.01,1217 34,1218 12.979,1219 4.322,1220 3.585,1221 65.875,1222 234,1223 294,1224 0.126,1225 327.161,1226 578.47,1227 790.033,1228 48344,1230 30.357,1231 0.69,1232 0.596,1233 30.711,1234 26.21,1235 21.471,1236 0.438,1237 0.348,1238 16.144,1239 20.389,1240 15.784,1241 12.948,1242 21.879,1243 17.055,1244 19.263,1245 0.283,1246 0.203,1247 19.905,1248 13.831,1249 16.34,1250 0.184,1251 0.12,1252 17.196,1253 10.704,1254 13.46,1255 0.118,1256 0.07,1257 14.302,1258 7.929,1259 10.856,1260 0.078,1261 0.04,1262 11.618,1263 5.503,1264 0.201,1265 137.451,1266 0.173,1267 39.035,1268 0.339,1269 234,1270 594.446,1271 277.721,1272 590.302,1273 799.16,1274 554,1275 274,1276 554.598,1277 316.845,1278 576.344,1279 847.66,1280 545,1281 7.8}
{0 CHEMBL229032,1 1.852,2 12.179,3 4.255,4 18.106,5 145.766,6 9.038,7 0.293,8 4.262,9 4.365,10 3.965,11 3.78,12 5.525,13 3.779,14 4.793,15 4.938,16 4.352,17 4.185,18 6.18,19 4.161,20 5.127,21 5.311,22 4.563,23 4.397,24 6.38,25 4.349,26 5.254,27 5.455,28 4.403,29 4.353,30 6.497,31 4.306,32 5.161,33 5.359,34 4.439,35 4.29,36 6.547,37 4.263,38 5.155,39 5.318,40 4.498,41 4.31,42 6.846,43 4.285,44 5.126,45 5.315,46 4.437,47 4.337,48 6.431,49 4.286,50 5.194,51 5.376,52 4.49,53 4.355,54 6.529,55 4.311,56 0.353,57 0.926,58 9.166,59 5.412,60 27.862,61 6.384,62 0.749,63 1.436,64 20.036,65 9.423,66 113.258,67 11.537,68 1.044,69 1.838,70 39.904,71 13.519,72 122.202,73 16.65,74 1.505,75 1.899,76 45.93,77 14.597,78 245.067,79 17.634,80 1.506,81 1.764,82 41.552,83 13.306,84 185.153,85 16.712,86 1.862,87 1.719,88 39.323,89 13.143,90 337.25,91 15.892,92 1.224,93 1.746,94 37.969,95 13.182,96 175.217,97 16.195,98 1.536,99 1.75,100 46.369,101 14.085,102 228.926,103 16.242,104 105,105 57,106 0.293,107 0.624,108 0.791,109 0.868,110 0.873,111 0.873,112 3.693,113 0.924,114 -4.84,115 -4.75,116 -4.46,119 39.1,121 4,124 1,125 1,126 2,129 2,132 6,133 2,134 4,144 3,151 4,155 9,157 3,158 9,160 2,162 3,163 11,166 18,168 1,169 1,170 4,173 10,175 1,176 13,181 1,183 9,185 10,186 12,189 2,191 2,193 12,195 12,196 6,200 2,203 10,205 1,206 10,209 1,211 3,214 11,217 1,218 18,221 1,223 4,224 8,227 17,231 2,234 10,238 3630,239 25.206,240 25.206,241 25.206,242 25.206,243 25.206,244 22.59,245 32.645,246 14.698,247 25.701,248 20.133,249 20.133,250 20.133,251 20.133,252 20.133,253 15.976,254 35.579,255 6.962,256 20.981,257 4.148,258 2.057,259 0.996,260 0.512,261 0.481,262 0.481,263 4.367,264 2,268 979,269 5.099,272 313.718,273 181.839,277 1.774,278 77.262,280 0.5,281 0.67,282 0.5,283 0.6,284 0.5,285 0.5,286 0.5,287 0.54,288 88.167,289 475,290 4.461,291 3.829,292 6.558,293 4.083,294 3.104,295 4.189,296 2.612,297 10.2,298 3.037,299 4.231,300 3.748,301 6.135,302 3.848,303 2.889,304 3.872,305 2.612,306 8.984,307 2.789,308 4.115,309 3.743,310 6.049,311 3.804,312 2.821,313 3.639,314 1.956,315 8.683,316 2.756,317 4.04,318 3.71,319 5.953,320 3.702,321 2.781,322 3.47,323 1.23,324 8.33,325 2.568,326 3.997,327 3.428,328 5.732,329 3.453,330 2.491,331 3.191,332 1.058,333 7.492,334 2.393,335 3.738,336 3.322,337 5.651,338 3.38,339 2.397,340 2.984,341 0.521,342 7.383,343 2.339,344 3.574,345 2.919,346 5.158,347 3.225,348 2.226,349 2.825,350 0.248,351 6.175,352 2.166,353 3.378,354 2.437,355 5.001,356 2.981,357 2.03,358 2.608,360 5.897,361 1.834,362 3.08,363 2.336,364 4.461,365 2.598,366 1.6,367 2.195,369 4.06,370 1.598,371 2.82,372 2.154,373 4.148,374 2.526,375 1.547,376 1.948,378 3.747,379 1.503,380 2.74,381 2.128,382 4.041,383 2.444,384 1.45,385 1.717,387 3.521,388 1.43,389 2.69,390 1.781,391 3.847,392 2.306,393 1.414,394 1.667,396 3.292,397 1.199,398 2.675,399 1.61,400 3.712,401 2.15,402 1.16,403 1.654,405 2.9,406 1.145,407 2.579,408 1.594,409 3.618,410 2,411 1,412 1.556,414 2.461,415 1,416 2.258,417 1.479,418 3.323,419 1.662,420 0.656,421 0.915,423 1.558,424 0.651,425 18.262,426 0.468,427 1.217,428 0.031,429 49,430 1.256,431 24,432 0.615,433 25,434 0.641,435 37.814,436 0.97,437 43.538,438 0.68,439 48.645,440 1.247,441 9.723,442 0.249,443 8.733,444 0.224,445 0.233,447 0.367,450 0.453,451 1.258,452 0.559,453 0.933,454 0.501,455 0.905,456 0.509,457 1.217,458 0.647,459 0.983,460 0.419,461 0.982,462 0.749,463 1.132,464 0.782,465 1.028,466 0.633,467 1.018,468 1.128,469 1.06,470 0.911,471 0.98,472 1.138,473 1.03,474 0.817,475 0.842,476 0.755,477 0.876,478 0.933,479 0.894,480 0.775,481 0.989,482 0.837,483 0.966,484 0.817,485 1.01,486 0.874,487 1.054,488 0.868,489 0.993,490 0.814,491 1.024,492 1.197,493 0.951,494 1.104,495 0.96,496 1.178,497 0.992,498 9.5,499 0.455,500 5.111,501 2.875,502 2.637,503 1.691,504 1.109,505 0.758,506 0.61,507 0.608,508 21826,509 86764,510 1.937,511 39.1,512 2,513 15,516 2,518 6,520 1.802,521 1.759,522 3.559,523 0.264,527 118.546,528 1.852,529 3.943,530 5.004,531 5.488,532 5.519,533 5.519,534 2.912,535 4.783,536 5.258,537 3.803,538 2817.9,539 9.317,540 48883.7,544 384,545 1.564,546 5.18,547 0.232,548 0.007,549 0.09,550 0.045,551 0.046,552 0.028,553 0.018,554 0.013,555 0.01,556 0.01,557 0.499,558 0.17,559 0.75,560 0.859,561 217.436,562 0.131,563 0.022,564 0.017,565 0.047,566 0.01,567 0.006,568 0.154,569 -0.054,570 0.05,571 -0.002,572 0.189,573 -0.022,574 -0.016,575 -0.072,576 0.081,577 -0.039,578 0.03,579 -0.013,580 -0.19,581 -0.09,582 -0.069,583 -0.032,584 -0.17,585 -0.036,586 0.105,587 0.155,588 0.063,589 0.064,590 -0.003,591 0.091,592 0.253,593 0.002,594 -0.005,595 -0.005,596 0.28,597 -0.047,598 -0.051,599 -0.033,600 -0.011,601 -0.015,602 -0.017,603 -0.022,604 -0.196,605 0.019,606 -0.098,607 0.033,608 -0.167,609 -0.002,610 2.829,611 6.336,612 0.487,613 45.464,614 1.034,615 1.131,616 3.607,617 13.009,618 0.677,619 3.738,620 4.06,621 4.263,622 4.419,623 4.654,624 4.71,625 4.718,626 4.727,627 4.754,628 4.812,629 7.995,630 0.665,631 578.45,632 3.738,633 5.283,634 6.111,635 6.973,636 7.822,637 8.684,638 9.541,639 10.405,640 11.265,641 12.13,642 7.8,648 3,652 2,654 6,659 6,661 12,663 1,666 2,669 2,670 64,672 20,673 2,674 41,676 66,677 25,678 12,679 6,680 6,681 4,683 3,684 3,685 2,691 4,694 6,696 17,697 8,699 8,701 2,703 7,705 2,707 3,713 25,714 10,715 2,716 14,717 2,720 5,721 1,722 7,733 2,734 1,742 2,746 2,753 3,757 1,758 2,761 39,766 5,767 2,770 2,771 1,777 2,778 10.9,781 3,784 4,785 22.167,786 11.636,787 8.611,788 3.746,789 2.202,790 1.293,791 0.928,792 10.691,793 9.71,794 4.025,795 4.575,796 5.011,797 5.422,798 5.962,799 6.18,800 6.368,801 6.455,802 6.483,803 6.744,804 0.875,805 64,806 14.608,807 6.462,808 8.356,809 26.168,810 21.066,811 2.856,812 111.389,815 270.735,816 129.45,817 50.486,818 78.297,819 176.929,822 129.45,823 525.961,824 50.486,825 19.736,826 51.39,827 75.81,828 89.549,829 18.886,831 270.735,832 179.791,833 270.735,834 179.936,835 176.929,836 78.297,838 200.109,839 146.061,840 101.494,841 51.39,842 98.254,843 108.59,845 270.735,846 227.415,847 207.747,850 270.735,851 45.244,852 98.671,853 36.022,854 255.226,855 270.735,856 227.415,857 207.747,859 0.589,860 0.337,861 0.16,862 0.094,863 23,864 14,865 0.136,866 9,868 1,869 4.608,870 370.84,872 19,873 192.131,878 30.348,879 13.739,880 8.393,882 216.074,883 7.506,888 -0.242,890 36.022,891 705.897,892 55,894 -1.657,896 83.329,898 2.635,900 -1.579,902 66.167,903 72.413,904 0.309,905 0.657,906 0.834,907 0.915,908 0.92,909 0.92,910 5.273,911 2.03,912 6.116,913 6.175,914 4.745,915 5.263,916 3.574,917 6.903,918 4.671,919 6.484,920 1.6,921 7.678,922 5.897,923 4.443,924 5.215,925 3.199,926 7.766,927 4.304,928 7.793,929 1.547,930 9.337,931 4.06,932 6.333,933 7.393,934 5.028,935 10.816,936 6.194,937 9.132,938 1.45,939 11.047,940 3.747,941 6.781,942 8.1,943 5.312,944 12.43,945 6.581,946 10.497,947 1.414,948 12.789,949 3.521,950 8.184,951 9.812,952 6.733,953 15.011,954 7.981,955 11.879,956 1.16,957 14.552,958 3.292,959 8.965,960 10.852,961 7.315,962 16.956,963 8.712,964 13.276,965 1,966 16.33,967 2.9,968 10.177,969 12.388,970 8.537,971 19.357,972 9.913,973 3.104,974 0.656,975 18.119,976 2.461,977 11.117,978 13.591,979 9.278,980 21.465,981 10.812,982 2.889,983 10.2,984 19.917,985 1.558,986 12.251,987 15.053,988 10.39,989 23.795,990 11.931,991 2.821,992 8.984,993 21.722,994 4.189,995 13.267,996 16.342,997 11.223,998 25.988,999 12.915,1000 2.781,1001 8.683,1002 23.532,1003 3.872,1004 14.371,1005 17.771,1006 12.272,1007 28.291,1008 14.001,1009 2.491,1010 8.33,1011 25.348,1012 3.639,1013 15.425,1014 19.11,1015 13.157,1016 30.532,1017 15.028,1018 2.397,1019 7.492,1020 27.169,1021 3.47,1022 16.52,1023 20.526,1024 14.169,1025 32.828,1026 16.105,1027 2.226,1028 7.383,1029 28.993,1030 3.191,1031 17.596,1032 21.894,1033 15.086,1034 35.096,1035 17.157,1036 21647,1037 43481,1038 25.778,1039 43.301,1040 61.956,1041 66.43,1042 64.152,1043 61.108,1044 60.851,1045 78.935,1046 20.478,1047 173.329,1048 58.412,1049 5.409,1050 5.829,1051 6.317,1052 5.126,1053 5.104,1054 7.189,1055 4.612,1056 17.431,1057 5.037,1058 26.982,1059 1.511,1060 1.62,1061 1.565,1062 1.49,1063 1.484,1064 1.925,1065 0.499,1066 4.228,1067 1.425,1068 4.065,1069 4.089,1070 4.122,1071 3.934,1072 7.819,1073 3.943,1074 3.946,1075 3.972,1076 4.027,1077 3.874,1078 7.811,1079 3.873,1080 3.862,1081 3.91,1082 3.791,1083 3.703,1084 7.435,1085 3.709,1086 3.719,1087 3.759,1088 3.681,1089 3.579,1090 7.426,1091 3.582,1092 3.644,1093 3.662,1094 3.645,1095 3.283,1096 7.424,1097 3.316,1098 3.531,1099 3.572,1100 3.474,1101 3.138,1102 6.999,1103 3.252,1104 3.364,1105 3.403,1106 3.407,1107 3.132,1108 6.999,1109 3.16,1110 3.248,1111 3.307,1112 3.368,1113 3.048,1114 5.04,1115 3.05,1116 0.109,1117 0.093,1118 0.16,1119 0.1,1120 0.076,1121 4.461,1122 0.102,1123 3.829,1124 0.064,1125 6.558,1126 0.249,1127 4.083,1128 0.074,1129 3.104,1130 4.189,1131 2.612,1132 10.2,1133 3.037,1134 1.958,1135 1.936,1136 2.037,1137 2.142,1138 1.32,1139 2.092,1140 1.914,1141 1.895,1142 1.994,1143 2.007,1144 1.271,1145 2.013,1146 1.741,1147 1.696,1148 1.961,1149 1.918,1150 1.113,1151 1.925,1152 1.667,1153 1.616,1154 1.826,1155 1.851,1156 1.033,1157 1.857,1158 1.581,1159 1.523,1160 1.765,1161 1.835,1162 0.953,1163 1.801,1164 1.362,1165 1.32,1166 1.594,1167 1.814,1168 0.642,1169 1.674,1170 1.289,1171 1.265,1172 1.403,1173 1.628,1174 0.546,1175 1.602,1176 1.175,1177 1.142,1178 1.325,1179 1.472,1180 0.397,1181 1.415,1182 4.419,1183 5.74,1185 7.229,1186 2.708,1187 8.796,1188 5.094,1189 10.407,1191 1.399,1192 12.136,1197 2.754,1198 5.388,1201 -1.482,1202 1.202,1206 42.56,1207 118.546,1208 252.377,1209 320.226,1210 351.245,1211 353.245,1212 353.245,1213 175.269,1214 7.508,1215 170.15,1216 170.15,1217 19,1218 12.678,1219 4.392,1220 3.907,1221 83.166,1222 176,1223 184,1224 0.211,1225 271.881,1226 497.45,1227 655.15,1228 17840,1229 3.1,1230 28.69,1231 0.736,1232 0.571,1233 29.69,1234 22.276,1235 18.455,1236 0.45,1237 0.308,1238 11.735,1239 16.954,1240 11.463,1241 9.464,1242 19.033,1243 12.629,1244 17.117,1245 0.3,1246 0.17,1247 17.858,1248 9.71,1249 13.636,1250 0.195,1251 0.098,1252 14.551,1253 6.878,1254 9.782,1255 0.119,1256 0.053,1257 10.183,1258 4.342,1259 8.211,1260 0.079,1261 0.029,1262 8.58,1263 3.01,1264 0.331,1265 124.097,1266 0.197,1267 34.989,1268 0.584,1269 196,1270 766.157,1271 252.224,1272 782.42,1273 988.08,1274 712,1275 225,1276 648.843,1277 276.425,1278 660.422,1279 948.39,1280 615,1281 7.87}
{0 CHEMBL230324,1 1.445,2 16.488,3 4.183,4 17.501,5 167.877,6 6.857,7 0.383,8 4.512,9 4.639,10 4.002,11 4.051,12 5.528,13 4.012,14 5.09,15 5.271,16 4.341,17 4.461,18 6.068,19 4.39,20 5.418,21 5.653,22 4.411,23 4.614,24 6.369,25 4.506,26 5.47,27 5.718,28 4.382,29 4.582,30 6.477,31 4.478,32 5.455,33 5.694,34 4.434,35 4.576,36 6.594,37 4.484,38 5.446,39 5.678,40 4.455,41 4.613,42 6.48,43 4.52,44 5.51,45 5.747,46 4.47,47 4.635,48 6.567,49 4.542,50 5.497,51 5.731,52 4.422,53 4.635,54 6.579,55 4.532,56 0.057,57 1.205,58 19.026,59 8.149,60 11.002,61 11.13,62 0.391,63 1.994,64 35.953,65 13.652,66 42.831,67 19.223,68 0.664,69 2.556,70 52.136,71 18.279,72 75.515,73 26.281,74 0.644,75 2.575,76 56.007,77 18.37,78 97.058,79 26.411,80 0.933,81 2.497,82 55.516,83 18.229,84 166.721,85 25.964,86 0.651,87 2.563,88 54.023,89 18.487,90 97.916,91 26.315,92 0.733,93 2.679,94 58.28,95 19.101,96 112.412,97 27.147,98 0.85,99 2.624,100 57.569,101 19.227,102 147.717,103 27.145,104 10,105 63,106 0.217,107 0.494,108 0.662,109 0.791,110 0.832,111 0.835,112 3.788,113 0.985,114 -4.12,115 -4.06,116 -3.84,119 41.2,121 6,125 6,126 1,127 1,132 14,133 4,144 3,155 23,158 2,160 3,162 5,163 27,165 1,166 5,168 2,169 2,170 8,173 19,176 9,179 1,181 7,183 13,185 2,186 8,189 2,191 8,193 17,195 1,196 9,198 1,199 1,200 9,203 17,206 12,209 2,211 9,214 16,217 1,218 7,221 1,223 7,224 19,226 2,227 8,231 5,234 21,238 4662,239 29.526,240 29.526,241 29.526,242 29.526,243 29.526,244 27.025,245 25.955,246 17.94,247 29.897,248 23.209,249 23.209,250 23.209,251 23.209,252 23.209,253 19.445,254 30.033,255 8.518,256 23.733,257 4.965,258 3.122,259 2.003,260 1.141,261 0.871,262 0.847,263 4.49,267 1,268 1538,269 4.95,271 149.052,272 736.916,277 2.569,278 47.235,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 92,289 709,290 4.576,291 4.089,292 7.627,293 4.486,294 3.503,295 3.931,296 1.985,297 13.895,298 3.439,299 4.27,300 3.72,301 6.164,302 3.9,303 2.898,304 3.696,305 1.925,306 9.105,307 2.903,308 4.035,309 3.52,310 6.076,311 3.815,312 2.824,313 3.478,314 1.058,315 8.82,316 2.793,317 3.988,318 2.885,319 5.976,320 3.653,321 2.643,322 3.45,323 0.86,324 8.397,325 2.663,326 3.781,327 2.846,328 5.34,329 3.441,330 2.522,331 3.049,332 0.8,333 6.966,334 2.403,335 3.52,336 2.769,337 5.294,338 3.401,339 2.405,340 2.754,341 0.343,342 6.768,343 2.305,344 3.383,345 2.697,346 4.905,347 2.906,348 1.903,349 2.521,350 0.14,351 4.944,352 1.905,353 3.096,354 2.177,355 4.539,356 2.821,357 1.831,358 2.152,360 4.683,361 1.805,362 2.927,363 2.122,364 4.189,365 2.602,366 1.633,367 2.077,369 3.654,370 1.581,371 2.878,372 2.008,373 4.137,374 2.476,375 1.511,376 1.957,378 3.564,379 1.457,380 2.65,381 1.715,382 3.692,383 2.459,384 1.458,385 1.648,387 3.229,388 1.453,389 2.542,390 1.678,391 3.618,392 2.287,393 1.35,394 1.534,396 2.946,397 1.255,398 2.5,399 1.491,400 3.593,401 2.164,402 1.186,403 1.5,405 2.689,406 1.145,407 2.5,408 1.418,409 3.543,410 2.018,411 1.018,412 1.5,414 2.466,415 1.01,416 2.5,417 1.256,418 3.447,419 2,420 1,421 1.5,423 2.275,424 1,425 20.433,426 0.475,427 0.822,428 0.019,429 49.5,430 1.151,431 22.5,432 0.523,433 27,434 0.628,435 45.809,436 1.065,437 47.367,438 0.557,439 44.452,440 1.034,441 9.684,442 0.225,443 11.338,444 0.264,445 0.049,446 0.024,447 0.215,450 0.733,451 1.302,452 0.868,453 1.127,454 0.544,455 1.026,456 0.859,457 1.194,458 1.019,459 1.102,460 0.582,461 1.08,462 0.953,463 1.04,464 1.029,465 1.028,466 0.889,467 1.033,468 1.317,469 0.995,470 1.048,471 0.959,472 1.51,473 0.958,474 1.27,475 0.951,476 0.972,477 0.882,478 1.465,479 0.886,480 1.181,481 1.052,482 0.998,483 0.994,484 1.324,485 0.973,486 1.408,487 1.007,488 1.056,489 0.962,490 1.594,491 0.958,492 1.41,493 0.97,494 1.105,495 0.943,496 1.659,497 0.976,498 7.5,499 0.308,500 4.667,501 2.188,502 2.041,503 1.42,504 0.985,505 0.777,506 0.506,507 0.429,508 34438,509 78412,510 2.108,511 49.4,512 4,513 27,516 3,518 6,519 2,520 1.821,521 2.024,522 3.943,523 0.664,527 122.796,528 1.445,529 3.288,530 4.406,531 5.268,532 5.539,533 5.562,534 3.474,535 4.851,536 5.391,537 4.156,538 3752.84,539 9.567,540 70840.4,544 544.798,545 1.229,546 5.376,547 0.16,548 0.005,549 0.074,550 0.034,551 0.033,552 0.022,553 0.015,554 0.012,555 0.008,556 0.007,557 0.369,558 0.33,559 0.63,560 0.394,561 250.146,562 -0.026,563 -0.074,564 0.047,565 -0.007,566 -0.012,567 0.025,568 0.041,569 -0.049,570 -0.061,571 -0.059,572 0.033,573 -0.074,574 0.037,575 0.008,576 -0.041,577 -0.046,578 0.004,579 -0.055,580 -0.113,581 0.013,582 -0.028,583 -0.007,584 -0.104,585 -0.003,586 0.064,587 0.039,588 0.06,589 0.075,590 0.118,591 0.068,592 -0.017,593 -0.03,594 0.01,595 -0.018,596 -0.026,597 -0.004,598 -0.1,599 0.006,600 -0.028,601 -0.007,602 -0.087,603 -0.006,604 -0.095,605 0.031,606 -0.08,607 0.023,608 -0.056,609 -0.018,610 2.305,611 6.89,612 0.674,613 65.576,614 0.994,615 1.126,616 2.888,617 8.339,618 0.651,619 3.871,620 4.159,621 4.407,622 4.605,623 4.779,624 4.771,625 4.875,626 4.949,627 5.043,628 5.094,629 9.466,630 0.611,631 582.81,632 3.871,633 5.398,634 6.232,635 7.089,636 7.941,637 8.804,638 9.664,639 10.532,640 11.398,641 12.271,642 4.7,645 1,648 3,654 14,659 4,661 18,662 1,670 85,672 21,673 3,674 47,676 89,677 35,678 18,679 4,680 14,681 1,683 5,684 5,691 4,692 1,694 7,696 21,697 14,698 1,699 3,703 3,707 3,713 42,714 8,715 3,716 8,720 4,721 1,722 4,732 1,733 4,742 2,749 1,752 1,753 5,761 43,766 12,767 3,768 1,770 1,771 1,772 1,778 4.7,781 3,782 1,785 21.25,786 14.617,787 9.625,788 5.39,789 2.383,790 1.303,791 0.964,792 10.999,793 10.259,794 4.094,795 4.57,796 5.035,797 5.469,798 5.933,799 5.991,800 6.364,801 6.6,802 6.897,803 7.123,804 1,805 64,806 16.149,807 6.974,808 7.692,809 31.153,810 25.995,811 2.192,812 94.25,815 459.073,816 192.338,817 57.157,819 86.435,822 192.338,823 545.508,824 57.157,826 86.847,827 132.667,828 100.549,829 15.867,831 459.073,833 459.073,834 249.495,835 86.435,838 364.904,839 169.604,840 11,841 89.971,842 159.524,845 459.073,846 143.591,847 192.338,850 459.073,851 59.671,852 135.792,853 54.032,854 86.435,855 459.073,856 143.591,857 192.338,859 0.57,860 0.333,861 0.175,862 0.092,863 27,864 11,865 0.135,866 12,868 1,869 5.3,870 426.511,872 29,873 213.329,878 30.935,879 15.288,880 8.537,882 143.591,883 27.108,888 3.548,890 54.032,891 795.003,892 59,896 40.681,900 -0.803,902 84.505,903 95.72,904 0.225,905 0.513,906 0.687,907 0.822,908 0.864,909 0.868,910 5.325,911 1.831,912 6.201,913 4.944,914 4.844,915 5.257,916 2.937,917 6.999,918 4.808,919 6.48,920 1.633,921 7.753,922 4.683,923 4.369,924 4.844,925 2.221,926 8.155,927 4.336,928 7.759,929 1.511,930 9.428,931 3.654,932 6.447,933 7.268,934 3.792,935 11.222,936 6.38,937 9.075,938 1.458,939 11.186,940 3.564,941 6.899,942 7.693,943 3.792,944 13.36,945 6.835,946 10.431,947 1.35,948 13.006,949 3.229,950 8.407,951 9.582,952 4.925,953 16.048,954 8.314,955 11.813,956 1.186,957 14.871,958 2.946,959 9.28,960 10.392,961 5.25,962 18.523,963 9.184,964 13.217,965 1.018,966 16.771,967 2.689,968 10.582,969 12.045,970 6.173,971 21.148,972 10.462,973 3.503,974 1,975 18.698,976 2.466,977 11.65,978 13.057,979 6.658,980 23.729,981 11.519,982 2.898,983 13.895,984 20.646,985 2.275,986 12.887,987 14.585,988 7.469,989 26.351,990 12.734,991 2.824,992 9.105,993 22.611,994 3.931,995 14.045,996 15.718,997 8.038,998 28.966,999 13.874,1000 2.643,1001 8.82,1002 24.589,1003 3.696,1004 15.268,1005 17.173,1006 8.789,1007 31.592,1008 15.077,1009 2.522,1010 8.397,1011 26.578,1012 3.478,1013 16.468,1014 18.38,1015 9.404,1016 34.218,1017 16.258,1018 2.405,1019 6.966,1020 28.576,1021 3.45,1022 17.695,1023 19.792,1024 10.121,1025 36.847,1026 17.464,1027 1.903,1028 6.768,1029 30.58,1030 3.049,1031 18.918,1032 21.049,1033 10.762,1034 39.476,1035 18.666,1036 32202,1037 48758,1038 32.068,1039 55.307,1040 69.503,1041 71.499,1042 71.076,1043 68.954,1044 68.96,1045 84.774,1046 14.222,1047 190.14,1048 67.702,1049 5.576,1050 6.089,1051 7.429,1052 5.589,1053 5.503,1054 6.931,1055 3.48,1056 21.325,1057 5.439,1058 15.106,1059 1.479,1060 1.521,1061 1.512,1062 1.467,1063 1.467,1064 1.804,1065 0.303,1066 4.046,1067 1.44,1068 4.042,1069 4.074,1070 3.981,1071 3.975,1072 7.436,1073 3.971,1074 3.948,1075 3.98,1076 3.876,1077 3.873,1078 7.427,1079 3.868,1080 3.892,1081 3.932,1082 3.808,1083 3.792,1084 7.422,1085 3.79,1086 3.824,1087 3.886,1088 3.705,1089 3.691,1090 4.833,1091 3.684,1092 3.757,1093 3.787,1094 3.679,1095 3.62,1096 4.75,1097 3.63,1098 3.67,1099 3.723,1100 3.577,1101 3.467,1102 4.627,1103 3.486,1104 3.485,1105 3.552,1106 3.329,1107 3.304,1108 4.584,1109 3.298,1110 3.316,1111 3.36,1112 3.231,1113 3.112,1114 4.317,1115 3.136,1116 0.097,1117 0.087,1118 0.162,1119 0.095,1120 0.075,1121 4.576,1122 0.084,1123 4.089,1124 0.042,1125 7.627,1126 0.296,1127 4.486,1128 0.073,1129 3.503,1130 3.931,1131 1.985,1132 13.895,1133 3.439,1134 1.994,1135 1.974,1136 2.091,1137 2.063,1138 1.301,1139 2.072,1140 1.927,1141 1.897,1142 2.057,1143 2.031,1144 1.25,1145 2.038,1146 1.786,1147 1.757,1148 1.985,1149 1.994,1150 1.211,1151 1.995,1152 1.765,1153 1.701,1154 1.912,1155 1.921,1156 1.207,1157 1.916,1158 1.688,1159 1.648,1160 1.86,1161 1.849,1162 1.176,1163 1.851,1164 1.579,1165 1.524,1166 1.843,1167 1.791,1168 1.09,1169 1.799,1170 1.577,1171 1.507,1172 1.807,1173 1.751,1174 0.954,1175 1.793,1176 1.445,1177 1.385,1178 1.679,1179 1.646,1180 0.889,1181 1.661,1182 4.554,1183 5.849,1184 2.398,1185 7.34,1186 4.595,1187 8.915,1188 6.605,1189 10.534,1197 8.64,1198 9.137,1199 5.412,1201 -0.752,1202 2.334,1203 -1.055,1206 51.954,1207 122.796,1208 279.467,1209 374.502,1210 447.779,1211 470.798,1212 472.798,1213 110.222,1214 7.876,1215 99.77,1216 99.77,1217 29,1218 12.814,1219 4.459,1220 3.7,1221 71.188,1222 236,1223 269,1224 0.138,1225 317.569,1226 567.04,1227 766.628,1228 30497,1230 29.909,1231 0.696,1232 0.575,1233 29.909,1234 24.726,1235 21.022,1236 0.447,1237 0.328,1238 15.263,1239 20.384,1240 14.985,1241 12.353,1242 21.022,1243 15.431,1244 18.226,1245 0.289,1246 0.183,1247 18.226,1248 11.501,1249 15.379,1250 0.19,1251 0.104,1252 15.379,1253 8.457,1254 12.303,1255 0.124,1256 0.06,1257 12.303,1258 5.939,1259 9.606,1260 0.081,1261 0.032,1262 9.606,1263 3.807,1264 0.22,1265 130.717,1266 0.177,1267 38.557,1268 0.367,1269 220,1270 585.586,1271 237.765,1272 563.101,1273 758.66,1274 528,1275 254,1276 536.574,1277 272.239,1278 543.943,1279 792.82,1280 514,1281 6.6}
{0 CHEMBL230424,1 1.536,2 15.81,3 4.428,4 19.609,5 166.589,6 7.181,7 0.37,8 4.481,9 4.604,10 4.041,11 4.043,12 5.493,13 3.991,14 5.063,15 5.238,16 4.408,17 4.462,18 6.039,19 4.374,20 5.377,21 5.609,22 4.462,23 4.584,24 6.324,25 4.462,26 5.417,27 5.66,28 4.425,29 4.561,30 6.421,31 4.445,32 5.402,33 5.632,34 4.495,35 4.566,36 6.551,37 4.459,38 5.402,39 5.622,40 4.545,41 4.603,42 6.469,43 4.5,44 5.464,45 5.691,46 4.481,47 4.611,48 6.541,49 4.515,50 5.444,51 5.667,52 4.452,53 4.633,54 6.526,55 4.523,56 0.047,57 1.18,58 18.571,59 8.124,60 10.306,61 10.663,62 0.379,63 1.974,64 36.304,65 13.951,66 42.224,67 18.612,68 0.7,69 2.504,70 54.803,71 18.403,72 73.465,73 25.141,74 0.624,75 2.508,76 57.45,77 18.781,78 89.128,79 25.226,80 0.899,81 2.442,82 56.583,83 18.72,84 159.405,85 24.819,86 0.69,87 2.541,88 58.787,89 19.01,90 97.907,91 24.988,92 0.758,93 2.622,94 60.114,95 19.258,96 110.809,97 25.597,98 0.805,99 2.557,100 55.873,101 19.276,102 138.442,103 25.987,104 10,105 62,106 0.233,107 0.516,108 0.692,109 0.815,110 0.84,111 0.844,112 3.765,113 1.027,114 -4.09,115 -4.04,116 -3.82,119 40.2,121 6,125 6,126 1,127 1,132 12,133 2,141 2,144 3,155 17,158 1,160 3,162 4,163 21,165 1,166 5,168 2,169 2,170 8,173 13,176 8,179 1,181 6,183 7,185 2,186 7,189 2,191 7,193 11,195 1,196 10,198 1,199 1,200 10,203 12,206 11,209 2,211 8,214 12,217 1,218 5,221 1,223 5,224 20,226 2,227 8,231 5,234 20,238 4308,239 28.819,240 28.819,241 28.819,242 28.819,243 28.819,244 26.447,245 25.955,246 17.498,247 29.354,248 22.725,249 22.725,250 22.725,251 22.725,252 22.725,253 19.118,254 30.033,255 8.324,256 23.563,257 4.821,258 2.951,259 1.787,260 0.97,261 0.805,262 0.78,263 4.467,267 1,268 1443,269 4.95,271 290.176,272 533.55,277 2.381,278 47.202,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 90,289 664,290 4.578,291 4.089,292 7.627,293 4.485,294 3.503,295 4.011,296 1.985,297 13.895,298 3.437,299 4.329,300 3.72,301 6.249,302 3.9,303 2.961,304 3.684,305 1.925,306 9.412,307 2.797,308 4.027,309 3.526,310 6.075,311 3.813,312 2.823,313 3.468,314 1.058,315 8.816,316 2.77,317 3.925,318 2.885,319 5.899,320 3.554,321 2.565,322 3.392,323 0.86,324 8.136,325 2.522,326 3.781,327 2.86,328 5.34,329 3.441,330 2.522,331 3.049,332 0.8,333 6.966,334 2.403,335 3.52,336 2.766,337 5.294,338 3.401,339 2.405,340 2.656,341 0.343,342 6.768,343 2.305,344 3.344,345 2.695,346 4.907,347 2.858,348 1.878,349 2.521,350 0.14,351 4.969,352 1.826,353 3.084,354 2.177,355 4.556,356 2.809,357 1.822,358 2.137,360 4.643,361 1.786,362 2.924,363 2.115,364 4.144,365 2.602,366 1.633,367 2.067,369 3.637,370 1.581,371 2.837,372 2.008,373 4.071,374 2.476,375 1.511,376 1.929,378 3.337,379 1.456,380 2.65,381 1.678,382 3.692,383 2.398,384 1.416,385 1.648,387 3.229,388 1.382,389 2.5,390 1.587,391 3.618,392 2.283,393 1.345,394 1.5,396 2.945,397 1.251,398 2.5,399 1.491,400 3.59,401 2.152,402 1.175,403 1.5,405 2.646,406 1.132,407 2.459,408 1.418,409 3.54,410 2,411 1,412 1.442,414 2.328,415 1,416 2.386,417 1.256,418 3.408,419 2,420 1,421 1.331,423 2.136,424 1,425 20.267,426 0.483,427 0.822,428 0.02,429 47,430 1.119,431 20.5,432 0.488,433 26.5,434 0.631,435 46.964,436 1.118,437 46.333,438 0.565,439 40.609,440 0.967,441 8.969,442 0.214,443 11.552,444 0.275,445 0.049,446 0.025,447 0.217,450 0.734,451 1.268,452 0.815,453 1.046,454 0.538,455 0.999,456 0.858,457 1.152,458 0.95,459 1.021,460 0.577,461 1.046,462 0.949,463 1.038,464 1.013,465 1.031,466 0.9,467 1.022,468 1.299,469 0.978,470 1.037,471 0.947,472 1.486,473 0.932,474 1.251,475 0.952,476 0.971,477 0.884,478 1.435,479 0.881,480 1.236,481 1.099,482 1.124,483 1.091,484 1.386,485 0.979,486 1.498,487 1.012,488 1.13,489 0.993,490 1.696,491 0.966,492 1.353,493 0.952,494 1.005,495 0.899,496 1.598,497 0.984,498 7.5,499 0.315,500 4.444,501 2.063,502 2.238,503 1.333,504 0.936,505 0.806,506 0.461,507 0.365,508 31850,509 75534,510 2.111,511 48.8,512 4,513 25,516 3,518 6,519 2,520 1.816,521 2.024,522 3.892,523 0.701,527 125.977,528 1.536,529 3.406,530 4.571,531 5.388,532 5.553,533 5.577,534 3.366,535 4.916,536 5.358,537 4.094,538 3524.89,539 9.504,540 64981.5,544 521.319,545 1.246,546 5.341,547 0.163,548 0.005,549 0.072,550 0.034,551 0.037,552 0.021,553 0.014,554 0.012,555 0.007,556 0.006,557 0.371,558 0.33,559 0.63,560 0.4,561 241.992,562 -0.031,563 -0.062,564 0.062,565 0.021,566 -0.01,567 0.032,568 0.037,569 -0.019,570 -0.002,571 0.002,572 0.035,573 -0.05,574 0.052,575 0.006,576 -0.003,577 -0.043,579 -0.047,580 -0.112,581 0.032,582 -0.008,583 0.021,584 -0.1,585 0.025,586 0.064,587 0.045,588 0.07,589 0.094,590 0.132,591 0.077,592 -0.018,593 -0.053,594 -0.003,595 -0.049,596 -0.018,597 -0.007,598 -0.143,599 0.009,600 -0.1,601 -0.032,602 -0.115,603 -0.021,604 -0.103,605 0.045,606 -0.081,607 0.031,608 -0.061,609 -0.028,610 2.292,611 6.881,612 0.667,613 60.558,614 0.996,615 1.125,616 2.863,617 8.194,618 0.661,619 3.85,620 4.143,621 4.394,622 4.605,623 4.754,624 4.762,625 4.844,626 4.956,627 5.024,628 5.05,629 9.131,630 0.617,631 588.84,632 3.85,633 5.38,634 6.217,635 7.077,636 7.933,637 8.8,638 9.665,639 10.538,640 11.409,641 12.286,642 4.9,645 1,648 3,654 12,658 1,659 4,661 17,662 1,670 82,672 20,673 2,674 46,676 86,677 33,678 16,679 2,680 10,681 1,683 5,684 5,691 4,692 1,694 7,696 19,697 14,698 1,699 3,703 3,707 3,713 40,714 8,715 3,716 9,717 1,720 4,721 1,722 4,732 2,733 3,742 2,749 1,752 1,753 5,755 1,761 42,766 12,767 3,768 1,770 1,771 1,772 1,774 1,778 4.9,781 3,782 1,785 20.75,786 14.117,787 9.375,788 5.196,789 2.222,790 1.284,791 0.967,792 10.926,793 10.05,794 4.069,795 4.546,796 5.013,797 5.457,798 5.834,799 5.945,800 6.214,801 6.512,802 6.762,803 6.886,804 0.909,805 61,806 15.786,807 6.842,808 7.692,809 30.477,810 25.544,811 2.192,812 92.083,815 435.531,816 201.009,817 57.157,819 86.435,821 31.278,822 169.732,823 521.965,824 57.157,826 86.847,827 113.715,828 100.549,829 9.495,830 2.717,831 466.808,833 435.531,834 226.888,835 86.435,836 31.278,838 341.362,839 169.604,840 11,841 89.971,842 136.917,844 31.278,845 435.531,846 143.591,847 201.009,850 435.531,851 87.294,852 116.839,853 54.032,854 86.435,855 435.531,856 143.591,857 201.009,859 0.57,860 0.333,861 0.177,862 0.091,863 27,864 11,865 0.14,866 12,868 1,869 5.208,870 415.754,872 28,873 210.477,874 1,878 30.558,879 15.017,880 8.361,882 143.591,883 23.385,887 1.412,888 3.572,890 54.032,891 780.131,892 57.5,896 40.67,900 -0.761,902 81.698,903 92.224,904 0.242,905 0.536,906 0.719,907 0.847,908 0.873,909 0.877,910 5.305,911 1.822,912 6.188,913 4.969,914 4.828,915 5.234,916 2.937,917 6.993,918 4.763,919 6.46,920 1.633,921 7.745,922 4.643,923 4.369,924 4.844,925 2.221,926 8.155,927 4.288,928 7.742,929 1.511,930 9.422,931 3.637,932 6.438,933 7.247,934 3.792,935 11.227,936 6.313,937 9.062,938 1.416,939 11.184,940 3.337,941 6.909,942 7.727,943 3.792,944 13.366,945 6.77,946 10.423,947 1.345,948 13.006,949 3.229,950 8.406,951 9.572,952 4.925,953 16.055,954 8.233,955 11.81,956 1.175,957 14.873,958 2.945,959 9.293,960 10.447,961 5.25,962 18.529,963 9.107,964 13.218,965 1,966 16.774,967 2.646,968 10.59,969 12.056,970 6.173,971 21.154,972 10.379,973 3.503,974 1,975 18.702,976 2.328,977 11.666,978 13.133,979 6.658,980 23.734,981 11.441,982 2.961,983 13.895,984 20.65,985 2.136,986 12.901,987 14.628,988 7.469,989 26.355,990 12.656,991 2.823,992 9.412,993 22.615,994 4.011,995 14.061,996 15.819,997 8.038,998 28.969,999 13.803,1000 2.565,1001 8.816,1002 24.594,1003 3.684,1004 15.284,1005 17.254,1006 8.789,1007 31.595,1008 15.009,1009 2.522,1010 8.136,1011 26.583,1012 3.468,1013 16.486,1014 18.513,1015 9.404,1016 34.219,1017 16.196,1018 2.405,1019 6.966,1020 28.58,1021 3.392,1022 17.712,1023 19.916,1024 10.121,1025 36.848,1026 17.407,1027 1.878,1028 6.768,1029 30.585,1030 3.049,1031 18.934,1032 21.217,1033 10.762,1034 39.477,1035 18.614,1036 29774,1037 46060,1038 31.375,1039 54.194,1040 68.484,1041 70.028,1042 69.709,1043 67.719,1044 67.749,1045 82.912,1046 14.222,1047 187.829,1048 65.507,1049 5.578,1050 6.089,1051 7.429,1052 5.607,1053 5.503,1054 7.011,1055 3.48,1056 21.33,1057 5.437,1058 14.838,1059 1.489,1060 1.522,1061 1.515,1062 1.472,1063 1.473,1064 1.802,1065 0.309,1066 4.083,1067 1.424,1068 4.031,1069 4.06,1070 4.269,1071 4.019,1072 7.436,1073 3.97,1074 3.943,1075 3.968,1076 3.894,1077 3.876,1078 7.427,1079 3.868,1080 3.89,1081 3.93,1082 3.805,1083 3.79,1084 7.422,1085 3.787,1086 3.824,1087 3.886,1088 3.74,1089 3.697,1090 4.808,1091 3.661,1092 3.723,1093 3.742,1094 3.699,1095 3.62,1096 4.749,1097 3.629,1098 3.67,1099 3.722,1100 3.578,1101 3.467,1102 4.627,1103 3.486,1104 3.485,1105 3.551,1106 3.329,1107 3.304,1108 4.512,1109 3.298,1110 3.286,1111 3.333,1112 3.211,1113 3.062,1114 4.314,1115 3.087,1116 0.1,1117 0.089,1118 0.166,1119 0.098,1120 0.076,1121 4.578,1122 0.087,1123 4.089,1124 0.043,1125 7.627,1126 0.302,1127 4.485,1128 0.075,1129 3.503,1130 4.011,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.897,1136 2.057,1137 2.033,1138 1.301,1139 2.039,1140 1.909,1141 1.887,1142 2.017,1143 1.994,1144 1.249,1145 1.995,1146 1.766,1147 1.706,1148 1.985,1149 1.972,1150 1.211,1151 1.993,1152 1.726,1153 1.686,1154 1.863,1155 1.914,1156 1.191,1157 1.901,1158 1.593,1159 1.546,1160 1.86,1161 1.821,1162 1.108,1163 1.817,1164 1.577,1165 1.507,1166 1.813,1167 1.751,1168 1.09,1169 1.793,1170 1.498,1171 1.467,1172 1.684,1173 1.671,1174 0.89,1175 1.679,1176 1.436,1177 1.38,1178 1.626,1179 1.585,1180 0.825,1181 1.601,1182 4.533,1183 5.832,1184 3.045,1185 7.319,1186 5.283,1187 8.889,1188 7.298,1189 10.504,1197 8.69,1198 9.158,1199 5.411,1201 -0.746,1202 2.335,1203 -1.042,1206 50.614,1207 125.977,1208 279.309,1209 374.816,1210 441.809,1211 455.319,1212 457.319,1213 107.136,1214 7.828,1215 99.77,1216 128.01,1217 28,1218 12.825,1219 4.392,1220 3.644,1221 68.584,1222 223,1223 258,1224 0.141,1225 312.442,1226 553.59,1227 754.12,1228 28496,1230 29.202,1231 0.695,1232 0.59,1233 29.556,1234 24.796,1235 20.522,1236 0.446,1237 0.342,1238 14.832,1239 19.433,1240 14.495,1241 11.926,1242 20.93,1243 15.745,1244 17.885,1245 0.288,1246 0.196,1247 18.527,1248 12.171,1249 15.077,1250 0.188,1251 0.115,1252 15.951,1253 9.224,1254 12.115,1255 0.122,1256 0.067,1257 12.917,1258 6.608,1259 9.254,1260 0.08,1261 0.036,1262 9.921,1263 4.185,1264 0.224,1265 131.8,1266 0.179,1267 37.724,1268 0.378,1269 216,1270 586.446,1271 259.387,1272 582.162,1273 783.7,1274 546,1275 250,1276 538.316,1277 292.456,1278 559.708,1279 819.55,1280 529,1281 7.5}
{0 CHEMBL230426,1 1.488,2 14.561,3 3.456,4 11.943,5 158.602,6 6.827,7 0.356,8 4.484,9 4.616,10 3.973,11 3.988,12 5.487,13 3.957,14 5.078,15 5.268,16 4.332,17 4.409,18 6.041,19 4.349,20 5.39,21 5.624,22 4.404,23 4.569,24 6.342,25 4.47,26 5.462,27 5.709,28 4.38,29 4.553,30 6.467,31 4.455,32 5.449,33 5.692,34 4.41,35 4.517,36 6.602,37 4.433,38 5.437,39 5.673,40 4.466,41 4.56,42 6.498,43 4.485,44 5.507,45 5.741,46 4.481,47 4.64,48 6.545,49 4.553,50 5.537,51 5.771,52 4.443,53 4.687,54 6.587,55 4.574,56 0.046,57 1.204,58 18.773,59 7.577,60 10.459,61 10.654,62 0.414,63 1.977,64 36.079,65 12.574,66 42.874,67 18.389,68 0.744,69 2.458,70 50.995,71 16.926,72 73.097,73 24.928,74 0.639,75 2.497,76 55.698,77 17.275,78 89.765,79 25.62,80 0.971,81 2.398,82 55.726,83 16.78,84 172.517,85 24.775,86 0.814,87 2.483,88 54.414,89 16.677,90 108.225,91 24.583,92 0.787,93 2.642,94 58.244,95 18.282,96 106.879,97 26.609,98 0.835,99 2.707,100 59.613,101 20.053,102 143.892,103 28.888,104 17,105 62,106 0.226,107 0.522,108 0.716,109 0.833,110 0.851,111 0.851,112 3.741,113 0.983,114 -2.97,115 -2.98,116 -2.87,119 39,121 6,124 1,125 6,126 1,127 1,132 10,133 2,141 2,144 3,155 15,158 4,160 3,162 4,163 16,165 2,166 6,168 3,169 2,170 7,173 9,176 9,179 1,181 6,183 2,185 2,186 10,189 2,191 8,193 5,195 2,196 11,198 2,199 1,200 9,203 9,206 9,209 2,211 6,214 14,217 1,218 6,221 1,223 5,224 21,226 3,227 8,229 1,231 4,234 15,238 3923,239 27.957,240 27.957,241 27.957,242 27.957,243 27.957,244 25.658,245 29.117,246 16.775,247 28.425,248 22.199,249 22.199,250 22.199,251 22.199,252 22.199,253 18.665,254 33.478,255 7.945,256 22.885,257 4.869,258 2.914,259 1.629,260 0.858,261 0.741,262 0.741,263 4.443,267 1,268 1301,269 5,271 246.175,272 489.373,274 215.462,277 2.212,278 47.424,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 88.5,289 597,290 4.663,291 4.09,292 7.627,293 4.489,294 3.506,295 4.587,296 1.985,297 13.897,298 3.44,299 4.545,300 3.721,301 6.775,302 4.164,303 3.198,304 3.69,305 1.925,306 11.037,307 3.09,308 4.026,309 3.573,310 6.075,311 3.815,312 2.824,313 3.468,314 1.058,315 8.816,316 2.792,317 3.842,318 3.04,319 5.899,320 3.45,321 2.522,322 3.262,323 0.86,324 7.988,325 2.448,326 3.778,327 2.885,328 5.34,329 3.441,330 2.445,331 3.046,332 0.8,333 6.966,334 2.401,335 3.52,336 2.765,337 5.294,338 3.4,339 2.402,340 2.555,341 0.343,342 6.768,343 2.305,344 3.263,345 2.694,346 5.019,347 2.834,348 1.852,349 2.521,350 0.14,351 5.367,352 1.812,353 3.093,354 2.177,355 4.875,356 2.783,357 1.81,358 2.24,360 4.87,361 1.749,362 2.993,363 2.061,364 4.359,365 2.602,366 1.633,367 2.118,369 3.83,370 1.581,371 2.922,372 2.008,373 4.141,374 2.518,375 1.521,376 2.05,378 3.628,379 1.515,380 2.65,381 1.678,382 3.694,383 2.476,384 1.507,385 1.661,387 3.23,388 1.456,389 2.647,390 1.642,391 3.672,392 2.309,393 1.363,394 1.648,396 2.959,397 1.285,398 2.5,399 1.491,400 3.618,401 2.213,402 1.251,403 1.5,405 2.866,406 1.185,407 2.457,408 1.418,409 3.584,410 2.078,411 1.089,412 1.436,414 2.536,415 1.066,416 2.274,417 1.313,418 3.55,419 2,420 1,421 1.233,423 2.183,424 1,425 19.333,426 0.472,427 0.895,428 0.022,429 45.25,430 1.104,431 18.5,432 0.451,433 26.75,434 0.652,435 45.565,436 1.111,437 46.067,438 0.562,439 40.884,440 0.997,441 8.788,442 0.214,443 11.161,444 0.272,445 0.078,446 0.026,447 0.248,450 0.756,451 1.446,452 0.867,453 1.199,454 0.542,455 1.064,456 0.896,457 1.214,458 0.983,459 1.066,460 0.566,461 1.033,462 0.925,463 1.034,464 1.025,465 1.032,466 0.887,467 1.038,468 1.274,469 1.06,470 1.054,471 1.016,472 1.478,473 0.998,474 1.31,475 1.009,476 0.985,477 0.913,478 1.53,479 0.903,480 1.284,481 1.005,482 0.999,483 0.932,484 1.461,485 0.921,486 1.396,487 0.971,488 1.086,489 0.951,490 1.587,491 0.964,492 1.211,493 1.018,494 1.11,495 1.026,496 1.449,497 1.052,498 7.5,499 0.346,500 4.667,501 3.014,502 2.414,503 1.253,504 1.134,505 0.866,506 0.392,507 0.395,508 28961,509 66073,510 2.099,511 50,512 4,513 26,516 3,518 6,519 2,520 1.811,521 1.992,522 3.782,523 0.716,527 122.05,528 1.488,529 3.444,530 4.729,531 5.499,532 5.617,533 5.617,534 3.248,535 4.919,536 5.325,537 3.999,538 3279.44,539 9.441,540 58582.7,544 521.319,545 1.371,546 5.297,547 0.167,548 0.007,549 0.075,550 0.048,551 0.04,552 0.02,553 0.017,554 0.013,555 0.006,556 0.007,557 0.399,558 0.33,559 0.63,560 0.458,561 233.301,562 -0.029,563 -0.162,564 0.056,565 -0.045,566 -0.012,567 0.009,568 0.023,569 -0.041,570 -0.016,571 -0.018,572 0.041,573 -0.023,574 0.064,575 0.03,576 -0.038,577 -0.041,578 0.003,579 -0.056,580 -0.113,581 -0.05,582 -0.041,583 -0.057,584 -0.101,585 -0.038,586 0.039,587 -0.03,588 0.052,589 0.037,590 0.12,591 0.045,592 -0.023,593 0.027,594 0.027,595 0.026,596 -0.032,597 0.032,598 -0.142,599 0.055,600 -0.065,601 0.019,602 -0.118,603 -0.004,604 -0.084,605 -0.013,606 -0.112,607 -0.025,608 -0.042,609 -0.066,610 2.306,611 6.902,612 0.634,613 53.921,614 0.997,615 1.132,616 1.743,617 3.037,618 0.641,619 3.829,620 4.143,621 4.419,622 4.654,623 4.812,624 4.828,625 4.927,626 5.043,627 5.069,628 5.081,629 8.663,630 0.603,631 559.78,632 3.829,633 5.371,634 6.221,635 7.096,636 7.965,637 8.848,638 9.728,639 10.616,640 11.502,641 12.396,642 6.1,645 1,648 3,649 1,653 2,654 10,659 2,660 1,661 16,662 1,670 82,672 19,673 2,674 45,676 86,677 32,678 14,679 3,680 9,681 1,683 5,684 6,691 4,692 1,694 7,696 17,697 15,698 1,699 3,703 3,707 3,713 41,714 8,715 3,716 9,720 5,721 0.8,722 4,729 1,732 2,733 3,735 1,742 2,749 1,752 1,753 4,757 1,761 41,766 12,767 3,768 1,770 1,771 1,772 1,778 4.9,781 3,782 1,785 20.583,786 14.483,787 9.097,788 5.19,789 2.293,790 1.292,791 0.965,792 9.888,793 10.138,794 4.043,795 4.562,796 5.081,797 5.587,798 6.034,799 6.217,800 6.517,801 6.848,802 6.823,803 6.852,804 0.9,805 63,806 15.421,807 6.712,808 7.701,809 29.739,810 24.995,811 2.201,812 90.25,815 447.302,816 160.747,817 59.056,819 86.435,822 160.747,823 533.737,824 59.056,825 8.396,826 86.847,827 94.762,828 100.549,829 10.782,830 4.901,831 447.302,833 447.302,834 219.803,835 86.435,838 353.133,839 169.604,840 11,841 91.87,842 127.932,845 447.302,846 145.49,847 160.747,850 447.302,851 57.588,852 108.182,853 54.032,854 86.435,855 447.302,856 145.49,857 160.747,859 0.576,860 0.342,861 0.184,862 0.095,863 28,864 12,865 0.128,866 11,867 1,868 1.077,869 5.046,870 410.339,871 0.077,872 26,873 201.66,878 29.466,879 13.758,880 7.251,881 1.925,882 143.591,883 19.374,888 1.463,889 1.855,890 54.032,891 753.539,892 56,896 40.806,900 -0.795,902 81.723,903 92.803,904 0.234,905 0.542,906 0.744,907 0.865,908 0.883,909 0.883,910 5.293,911 1.81,912 6.209,913 5.367,914 4.828,915 5.25,916 2.937,917 7.047,918 4.775,919 6.469,920 1.633,921 7.788,922 4.87,923 4.443,924 5.037,925 2.221,926 8.247,927 4.377,928 7.773,929 1.521,930 9.488,931 3.83,932 6.469,933 7.366,934 3.792,935 11.34,936 6.366,937 9.117,938 1.507,939 11.268,940 3.628,941 6.995,942 8.054,943 3.792,944 13.478,945 6.881,946 10.502,947 1.363,948 13.105,949 3.23,950 8.477,951 9.871,952 4.925,953 16.177,954 8.331,955 11.916,956 1.251,957 14.982,958 2.959,959 9.404,960 10.98,961 5.25,962 18.635,963 9.244,964 13.353,965 1.089,966 16.891,967 2.866,968 10.699,969 12.605,970 6.173,971 21.256,972 10.512,973 3.506,974 1,975 18.823,976 2.536,977 11.799,978 13.923,979 6.658,980 23.819,981 11.594,982 3.198,983 13.897,984 20.772,985 2.183,986 13.036,987 15.474,988 7.469,989 26.431,990 12.808,991 2.824,992 11.037,993 22.737,994 4.587,995 14.208,996 16.895,997 8.038,998 29.032,999 13.962,1000 2.522,1001 8.816,1002 24.712,1003 3.69,1004 15.432,1005 18.42,1006 8.789,1007 31.648,1008 15.165,1009 2.445,1010 7.988,1011 26.697,1012 3.468,1013 16.637,1014 19.891,1015 9.404,1016 34.264,1017 16.351,1018 2.402,1019 6.966,1020 28.689,1021 3.262,1022 17.863,1023 21.408,1024 10.121,1025 36.885,1026 17.557,1027 1.852,1028 6.768,1029 30.688,1030 3.046,1031 19.084,1032 22.904,1033 10.762,1034 39.508,1035 18.759,1036 27074,1037 41060,1038 30.394,1039 52.552,1040 67.272,1041 69.318,1042 69.234,1043 66.814,1044 66.796,1045 81.858,1046 14.222,1047 189.897,1048 65.039,1049 5.663,1050 6.09,1051 7.429,1052 5.592,1053 5.506,1054 7.587,1055 3.48,1056 21.448,1057 5.44,1058 16.984,1059 1.495,1060 1.54,1061 1.539,1062 1.485,1063 1.484,1064 1.819,1065 0.316,1066 4.22,1067 1.445,1068 4.148,1069 4.182,1070 4.11,1071 4.053,1072 7.436,1073 4.062,1074 3.969,1075 4.01,1076 3.891,1077 3.878,1078 7.427,1079 3.873,1080 3.889,1081 3.93,1082 3.802,1083 3.788,1084 7.422,1085 3.785,1086 3.824,1087 3.886,1088 3.702,1089 3.621,1090 4.917,1091 3.631,1092 3.671,1093 3.724,1094 3.579,1095 3.468,1096 4.752,1097 3.486,1098 3.525,1099 3.569,1100 3.445,1101 3.384,1102 4.627,1103 3.393,1104 3.484,1105 3.55,1106 3.329,1107 3.303,1108 4.334,1109 3.298,1110 3.269,1111 3.332,1112 3.15,1113 3.031,1114 4.251,1115 3.053,1116 0.104,1117 0.091,1118 0.169,1119 0.1,1120 0.078,1121 4.663,1122 0.102,1123 4.09,1124 0.044,1125 7.627,1126 0.309,1127 4.489,1128 0.076,1129 3.506,1130 4.587,1131 1.985,1132 13.897,1133 3.44,1134 1.933,1135 1.907,1136 2.057,1137 2.035,1138 1.301,1139 2.039,1140 1.927,1141 1.897,1142 2.033,1143 2.024,1144 1.249,1145 2.027,1146 1.767,1147 1.709,1148 1.985,1149 1.994,1150 1.211,1151 1.995,1152 1.738,1153 1.692,1154 1.872,1155 1.929,1156 1.191,1157 1.914,1158 1.615,1159 1.569,1160 1.86,1161 1.837,1162 1.153,1163 1.828,1164 1.577,1165 1.507,1166 1.816,1167 1.761,1168 1.09,1169 1.793,1170 1.556,1171 1.502,1172 1.749,1173 1.751,1174 0.89,1175 1.762,1176 1.441,1177 1.381,1178 1.677,1179 1.64,1180 0.868,1181 1.657,1182 4.511,1183 5.826,1184 3.045,1185 7.334,1186 5.416,1187 8.928,1188 7.535,1189 10.569,1191 1.859,1197 8.662,1198 9.163,1199 5.409,1201 -0.75,1202 2.334,1203 -1.056,1206 49.449,1207 122.05,1208 282.4,1209 387.761,1210 450.955,1211 460.564,1212 460.564,1213 103.859,1214 7.846,1215 104.7,1216 104.7,1217 28,1218 12.924,1219 4.322,1220 3.585,1221 66.041,1222 207,1223 248,1224 0.146,1225 301.441,1226 531.42,1227 727.276,1228 28382,1230 28.658,1231 0.699,1232 0.582,1233 28.658,1234 23.864,1235 19.949,1236 0.443,1237 0.328,1238 14.55,1239 19.212,1240 14.258,1241 11.744,1242 19.949,1243 14.748,1244 17.62,1245 0.284,1246 0.181,1247 17.62,1248 11.205,1249 15.066,1250 0.184,1251 0.102,1252 15.066,1253 8.387,1254 12.35,1255 0.119,1256 0.058,1257 12.35,1258 5.993,1259 9.478,1260 0.078,1261 0.031,1262 9.478,1263 3.765,1264 0.232,1265 124.904,1266 0.181,1267 36.779,1268 0.398,1269 214,1270 579.231,1271 234.179,1272 552.4,1273 746.52,1274 518,1275 251,1276 533.743,1277 272.486,1278 538.664,1279 790.27,1280 508,1281 7}
{0 CHEMBL231173,1 1.52,2 17.717,3 3.929,4 15.437,5 183.354,6 6.946,7 0.314,8 4.609,9 4.738,10 4.143,11 4.152,12 5.566,13 4.098,14 5.221,15 5.408,16 4.524,17 4.593,18 6.136,19 4.503,20 5.555,21 5.796,22 4.589,23 4.747,24 6.436,25 4.62,26 5.62,27 5.875,28 4.512,29 4.737,30 6.527,31 4.602,32 5.619,33 5.875,34 4.568,35 4.719,36 6.657,37 4.591,38 5.622,39 5.874,40 4.616,41 4.724,42 6.597,43 4.606,44 5.592,45 5.837,46 4.533,47 4.717,48 6.567,49 4.606,50 5.552,51 5.78,52 4.539,53 4.759,54 6.574,55 4.636,56 0.063,57 1.371,58 22.062,59 9.227,60 10.324,61 12.507,62 0.454,63 2.324,64 43.608,65 15.853,66 43.302,67 22,68 0.812,69 2.962,70 65.165,71 21.265,72 74.122,73 30.164,74 0.744,75 2.996,76 68.838,77 22.539,78 86.343,79 31.685,80 0.944,81 2.917,82 68.359,83 22.692,84 161.202,85 31.881,86 0.922,87 2.993,88 72.662,89 22.069,90 112.877,91 30.746,92 0.889,93 2.905,94 68.45,95 21.411,96 104.298,97 29.681,98 0.782,99 2.867,100 61.821,101 21.928,102 125.722,103 30.43,104 10,105 70,106 0.225,107 0.498,108 0.689,109 0.821,110 0.845,111 0.845,112 3.853,113 1.046,114 -3.7,115 -3.67,116 -3.49,119 38.7,121 8,125 8,126 2,127 1,132 10,133 2,141 2,144 3,155 15,158 5,160 3,162 4,163 20,165 1,166 5,168 2,169 2,170 8,173 11,175 1,176 8,179 1,181 6,183 5,185 2,186 9,189 2,191 8,193 7,195 1,196 11,198 1,199 1,200 12,203 11,205 1,206 9,209 1,211 6,214 14,217 1,218 7,221 2,223 5,224 22,226 1,227 9,231 7,234 18,238 5880,239 31.628,240 31.628,241 31.628,242 31.628,243 31.628,244 29.402,245 35.634,246 18.994,247 32.274,248 25.197,249 25.197,250 25.197,251 25.197,252 25.197,253 21.748,254 48.354,255 9.031,256 26.212,257 5.019,258 3.17,259 1.878,260 0.98,261 0.817,262 0.817,263 4.564,267 1,268 1803,269 5.05,271 288.859,272 757.636,274 253.037,277 2.543,278 49.662,280 0.75,281 0.33,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.69,288 98.5,289 815,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.72,301 6.335,302 3.969,303 3.026,304 3.69,305 1.925,306 9.735,307 2.849,308 4.026,309 3.532,310 6.143,311 3.815,312 2.87,313 3.467,314 1.058,315 9.054,316 2.79,317 3.87,318 3.138,319 6.074,320 3.808,321 2.823,322 3.214,323 0.86,324 8.815,325 2.699,326 3.83,327 2.891,328 5.792,329 3.435,330 2.444,331 3.044,332 0.8,333 7.733,334 2.413,335 3.776,336 2.786,337 5.328,338 3.405,339 2.44,340 2.869,341 0.8,342 6.92,343 2.394,344 3.438,345 2.763,346 5.294,347 3.352,348 2.399,349 2.439,350 0.343,351 6.767,352 2.233,353 3.101,354 2.693,355 4.897,356 2.829,357 1.857,358 2.298,359 0.14,360 4.883,361 1.808,362 3.032,363 2.298,364 4.448,365 2.756,366 1.803,367 2.226,369 4.522,370 1.701,371 2.984,372 2.009,373 4.414,374 2.561,375 1.576,376 2.116,378 4.312,379 1.547,380 2.922,381 1.782,382 4.206,383 2.515,384 1.532,385 2.05,387 3.629,388 1.51,389 2.834,390 1.729,391 4.136,392 2.457,393 1.511,394 1.835,396 3.558,397 1.401,398 2.585,399 1.533,400 3.626,401 2.406,402 1.422,403 1.563,405 3.025,406 1.391,407 2.557,408 1.532,409 3.618,410 2.254,411 1.278,412 1.544,414 2.875,415 1.239,416 2.5,417 1.491,418 3.598,419 2.07,420 1.16,421 1.5,423 2.736,424 1.045,425 22.167,426 0.482,427 0.942,428 0.02,429 48.25,430 1.049,431 18.5,432 0.402,433 29.75,434 0.647,435 56.764,436 1.234,437 51.633,438 0.555,439 41.281,440 0.897,441 8.86,442 0.193,443 13.628,444 0.296,445 0.045,446 0.023,447 0.239,450 0.749,451 1.363,452 0.838,453 1.103,454 0.53,455 1.043,456 0.907,457 1.177,458 0.965,459 1.022,460 0.558,461 1.046,462 0.966,463 1.037,464 1.018,465 1.02,466 0.85,467 1.023,468 1.189,469 0.98,470 1.02,471 0.973,472 1.357,473 0.985,474 1.06,475 1.007,476 0.859,477 0.911,478 1.236,479 0.918,480 1.319,481 0.997,482 1.031,483 0.961,484 1.373,485 0.902,486 1.479,487 0.918,488 1.101,489 0.918,490 1.601,491 0.914,492 1.144,493 1.009,494 0.995,495 0.985,496 1.397,497 1.05,498 8.5,499 0.35,500 5.111,501 2.542,502 2.517,503 1.329,504 1.16,505 0.872,506 0.391,507 0.372,508 44075,509 97141,510 2.138,511 50.5,512 4,513 28,516 3,518 6,519 6,520 1.834,521 2.052,522 4.045,523 0.669,527 141.349,528 1.52,529 3.369,530 4.661,531 5.559,532 5.722,533 5.722,534 3.495,535 4.915,536 5.491,537 4.276,538 4425.57,539 9.751,540 88998.8,544 608.142,545 1.254,546 5.473,547 0.167,548 0.006,549 0.073,550 0.036,551 0.038,552 0.019,553 0.016,554 0.012,555 0.006,556 0.006,557 0.38,558 0.33,559 0.63,560 0.377,561 274.205,562 -0.021,563 -0.111,564 0.071,565 0.003,566 0.001,567 0.026,568 0.017,569 -0.015,571 0.01,572 0.043,573 -0.036,574 0.026,575 0.019,576 -0.017,577 -0.034,578 0.011,579 -0.044,580 -0.085,581 0.017,582 -0.041,583 -0.023,584 -0.074,585 -0.021,586 0.115,587 -0.051,588 0.101,589 0.03,590 0.188,591 0.048,592 -0.034,593 0.005,594 0.048,595 0.024,596 -0.006,597 0.054,598 -0.147,599 0.092,600 -0.069,601 0.042,602 -0.111,603 0.038,604 -0.039,605 0.005,606 -0.077,607 -0.023,608 0.003,609 -0.065,610 2.282,611 6.969,612 0.696,613 69.732,614 0.994,615 1.129,616 2.471,617 6.108,618 0.65,619 3.951,620 4.263,621 4.533,622 4.762,623 4.949,624 4.963,625 5.063,626 5.182,627 5.187,628 5.22,629 10.236,630 0.604,631 645.95,632 3.951,633 5.493,634 6.34,635 7.21,636 8.074,637 8.949,638 9.821,639 10.699,640 11.576,641 12.457,642 5.4,645 2,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 93,672 19,673 2,674 51,676 98,677 36,678 14,679 3,680 9,681 1,683 6,684 7,691 7,692 1,694 10,696 17,697 19,698 1,699 3,703 3,707 3,713 47,714 9,715 3,716 10,717 1,720 5,721 0.833,722 4,732 2,733 4,735 1,742 2,749 2,752 1,753 5,755 1,761 46,766 16,767 3,768 1,770 2,771 2,772 1,774 1,778 4.3,781 3,782 1,785 22.417,786 15.983,787 10.153,788 6.074,789 2.019,790 1.244,791 0.971,792 11.521,793 10.296,794 4.143,795 4.632,796 5.116,797 5.587,798 6.028,799 6.189,800 6.459,801 6.815,802 6.746,803 6.828,804 0.917,805 70,806 17.327,807 7.574,808 7.618,809 33.902,810 29.058,811 2.118,812 97.417,815 517.928,816 190.112,817 60.281,819 86.435,821 31.278,822 158.834,823 604.363,824 60.281,826 96.128,827 94.762,828 100.549,829 12.007,830 2.104,831 549.206,833 517.928,834 219.115,835 86.435,836 31.278,838 376.675,839 216.688,840 11,841 102.376,842 116.739,844 31.278,845 517.928,846 146.716,847 190.112,850 517.928,851 95.35,852 101.011,853 54.032,854 86.435,855 517.928,856 146.716,857 190.112,859 0.575,860 0.339,861 0.181,862 0.097,863 32,864 13,865 0.122,866 12,867 1,868 1.063,869 5.581,870 474.919,871 0.063,872 32,873 235.329,874 1,878 33.234,879 15.946,880 8.631,881 2.05,882 146.716,883 19.555,887 1.43,888 1.56,890 54.032,891 854.756,892 62,896 40.966,900 -0.706,902 92.45,903 104.968,904 0.232,905 0.515,906 0.713,907 0.85,908 0.875,909 0.875,910 5.398,911 1.857,912 6.319,913 6.767,914 4.949,915 5.321,916 2.987,917 7.135,918 4.876,919 6.554,920 1.803,921 7.882,922 4.883,923 4.511,924 5.027,925 2.262,926 8.272,927 4.414,928 7.843,929 1.576,930 9.562,931 4.522,932 6.569,933 7.369,934 3.802,935 11.347,936 6.43,937 9.167,938 1.532,939 11.32,940 4.312,941 7.04,942 7.972,943 3.799,944 13.447,945 6.88,946 10.533,947 1.511,948 13.135,949 3.629,950 8.536,951 9.791,952 4.927,953 16.128,954 8.341,955 11.926,956 1.422,957 14.993,958 3.558,959 9.416,960 10.817,961 5.251,962 18.577,963 9.204,964 13.34,965 1.278,966 16.883,967 3.025,968 10.71,969 12.433,970 6.173,971 21.192,972 10.471,973 3.503,974 1.16,975 18.799,976 2.875,977 11.776,978 13.675,979 6.658,980 23.76,981 11.521,982 3.026,983 13.895,984 20.736,985 2.736,986 13.005,987 15.205,988 7.469,989 26.375,990 12.729,991 2.87,992 9.735,993 22.69,994 4.425,995 14.156,996 16.561,997 8.038,998 28.982,999 13.866,1000 2.823,1001 9.054,1002 24.658,1003 3.69,1004 15.372,1005 18.056,1006 8.789,1007 31.604,1008 15.065,1009 2.444,1010 8.815,1011 26.638,1012 3.467,1013 16.564,1014 19.472,1015 9.404,1016 34.226,1017 16.244,1018 2.44,1019 7.733,1020 28.627,1021 3.214,1022 17.783,1023 20.955,1024 10.121,1025 36.853,1026 17.448,1027 2.399,1028 6.92,1029 30.624,1030 3.044,1031 18.997,1032 22.402,1033 10.762,1034 39.48,1035 18.649,1036 40405,1037 60297,1038 34.959,1039 60.484,1040 76.321,1041 78.03,1042 77.726,1043 75.68,1044 75.682,1045 90.481,1046 15.822,1047 213.444,1048 72.94,1049 5.588,1050 6.089,1051 7.429,1052 5.604,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 15.917,1059 1.496,1060 1.53,1061 1.524,1062 1.484,1063 1.484,1064 1.774,1065 0.31,1066 4.185,1067 1.43,1068 4.094,1069 4.108,1070 4.335,1071 4.109,1072 7.436,1073 4.056,1074 3.974,1075 4.014,1076 3.902,1077 3.882,1078 7.427,1079 3.877,1080 3.911,1081 3.967,1082 3.804,1083 3.79,1084 7.422,1085 3.787,1086 3.889,1087 3.928,1088 3.801,1089 3.749,1090 4.859,1091 3.752,1092 3.728,1093 3.791,1094 3.616,1095 3.527,1096 4.752,1097 3.538,1098 3.651,1099 3.707,1100 3.54,1101 3.448,1102 4.631,1103 3.461,1104 3.494,1105 3.56,1106 3.498,1107 3.396,1108 4.357,1109 3.373,1110 3.481,1111 3.508,1112 3.334,1113 3.326,1114 4.315,1115 3.317,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.588,1122 0.087,1123 4.089,1124 0.039,1125 7.627,1126 0.272,1127 4.486,1128 0.067,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.902,1136 2.074,1137 2.072,1138 1.448,1139 2.077,1140 1.919,1141 1.897,1142 2.056,1143 2.028,1144 1.257,1145 2.036,1146 1.872,1147 1.81,1148 2.007,1149 1.972,1150 1.213,1151 1.991,1152 1.731,1153 1.696,1154 1.911,1155 1.921,1156 1.211,1157 1.92,1158 1.674,1159 1.613,1160 1.86,1161 1.9,1162 1.19,1163 1.893,1164 1.585,1165 1.537,1166 1.859,1167 1.809,1168 1.135,1169 1.81,1170 1.577,1171 1.507,1172 1.818,1173 1.751,1174 1.117,1175 1.793,1176 1.494,1177 1.472,1178 1.686,1179 1.669,1180 0.892,1181 1.681,1182 4.635,1183 5.948,1184 3.045,1185 7.452,1186 5.352,1187 9.039,1188 7.424,1189 10.669,1197 13.815,1198 9.28,1199 5.513,1201 -0.085,1202 5.072,1203 -1.032,1206 56.216,1207 141.349,1208 313.304,1209 433.481,1210 517.022,1211 532.142,1212 532.142,1213 111.355,1214 8.277,1215 103.01,1216 131.25,1217 34,1218 12.993,1219 4.322,1220 3.585,1221 70.699,1222 269,1223 338,1224 0.116,1225 343.548,1226 606.77,1227 830.017,1228 53799,1230 31.771,1231 0.691,1232 0.598,1233 32.125,1234 27.494,1235 22.488,1236 0.441,1237 0.349,1238 16.843,1239 21.297,1240 16.485,1241 13.504,1242 22.896,1243 17.785,1244 19.864,1245 0.284,1246 0.201,1247 20.506,1248 14.057,1249 17.007,1250 0.185,1251 0.119,1252 17.863,1253 10.983,1254 13.834,1255 0.119,1256 0.07,1257 14.675,1258 8.162,1259 11.025,1260 0.079,1261 0.039,1262 11.786,1263 5.51,1264 0.188,1265 144.173,1266 0.169,1267 40.836,1268 0.305,1269 242,1270 622.091,1271 287.802,1272 614.678,1273 832.58,1274 578,1275 283,1276 577.781,1277 328.287,1278 598.031,1279 879.94,1280 566,1281 6.8}
{0 CHEMBL231261,1 1.695,2 15.1,3 4.801,4 23.051,5 163.52,6 7.879,7 0.279,8 4.42,9 4.547,10 4.024,11 3.958,12 5.434,13 3.913,14 5.006,15 5.185,16 4.414,17 4.371,18 5.997,19 4.294,20 5.336,21 5.567,22 4.547,23 4.547,24 6.313,25 4.417,26 5.371,27 5.621,28 4.463,29 4.51,30 6.36,31 4.375,32 5.34,33 5.577,34 4.517,35 4.508,36 6.457,37 4.377,38 5.337,39 5.569,40 4.536,41 4.538,42 6.38,43 4.419,44 5.395,45 5.622,46 4.578,47 4.591,48 6.457,49 4.485,50 5.441,51 5.663,52 4.553,53 4.651,54 6.49,55 4.528,56 0.056,57 1.108,58 15.751,59 7.052,60 9.383,61 9.455,62 0.386,63 1.819,64 33.462,65 12.107,66 42.49,67 16.743,68 0.806,69 2.283,70 59.031,71 17.672,72 82.401,73 23.698,74 0.747,75 2.298,76 58.85,77 17.957,78 94.308,79 23.965,80 0.934,81 2.314,82 62.147,83 18.206,84 142.41,85 23.321,86 0.769,87 2.31,88 61.142,89 18.163,90 96.472,91 23.407,92 0.779,93 2.39,94 59.116,95 18.536,96 105.65,97 24.386,98 0.786,99 2.512,100 59.547,101 19.833,102 122.255,103 26.19,104 26,105 58,106 0.262,107 0.554,108 0.734,109 0.846,110 0.855,111 0.855,112 3.717,113 1.045,114 -4.13,115 -4.08,116 -3.86,119 37.7,121 6,125 6,126 1,127 1,132 8,133 1,134 3,144 2,145 1,155 11,158 1,160 2,161 1,162 6,163 14,165 1,166 3,168 2,169 2,170 7,173 10,176 5,179 1,181 10,183 2,185 1,186 4,189 2,190 1,191 10,193 3,195 1,196 6,198 1,199 1,200 7,203 9,206 9,209 2,211 9,214 14,218 3,221 1,222 1,223 5,224 16,226 2,227 3,231 4,234 15,238 3842,239 26.904,240 26.904,241 26.904,242 26.904,243 26.904,244 24.923,245 32.262,246 16.228,247 27.685,248 21.211,249 21.211,250 21.211,251 21.211,252 21.211,253 18.217,254 39.68,255 7.713,256 22.569,257 4.571,258 2.681,259 1.516,260 0.789,261 0.727,262 0.727,263 4.408,264 2,267 1,268 1284,269 5.05,271 139.326,272 518.321,277 2.27,278 47.335,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 86.167,289 604,290 4.567,291 4.105,292 7.625,293 4.479,294 3.499,295 3.876,296 1.987,297 13.886,298 3.428,299 4.222,300 3.76,301 6.074,302 3.815,303 2.843,304 3.681,305 1.928,306 8.815,307 2.791,308 4.025,309 3.692,310 5.957,311 3.744,312 2.821,313 3.467,314 1.756,315 8.371,316 2.554,317 3.785,318 3.309,319 5.389,320 3.441,321 2.522,322 3.057,323 0.86,324 6.966,325 2.403,326 3.688,327 2.885,328 5.34,329 3.402,330 2.41,331 2.953,332 0.8,333 6.918,334 2.305,335 3.52,336 2.777,337 5.294,338 3.256,339 2.381,340 2.521,341 0.376,342 6.765,343 1.999,344 3.298,345 2.702,346 4.959,347 2.845,348 1.899,349 2.497,350 0.248,351 5.326,352 1.809,353 3.063,354 2.416,355 4.684,356 2.749,357 1.811,358 2.116,359 0.092,360 4.721,361 1.624,362 2.922,363 2.177,364 4.141,365 2.602,366 1.633,367 2.041,369 3.634,370 1.58,371 2.82,372 2.126,373 4.041,374 2.476,375 1.51,376 1.948,378 3.522,379 1.456,380 2.65,381 2.008,382 3.693,383 2.306,384 1.414,385 1.648,387 3.23,388 1.255,389 2.5,390 1.678,391 3.639,392 2.292,393 1.36,394 1.5,396 2.953,397 1.198,398 2.458,399 1.491,400 3.618,401 2.147,402 1.184,403 1.439,405 2.638,406 1.122,407 2.279,408 1.427,409 3.561,410 2,411 1,412 1.246,414 2.211,415 1,416 2.188,417 1.256,418 3.359,419 1.952,420 1,421 1.061,423 2.136,424 0.946,425 19.762,426 0.494,427 0.915,428 0.023,429 42.25,430 1.056,431 16.5,432 0.413,433 25.75,434 0.644,435 47.168,436 1.179,437 45.038,438 0.585,439 36.343,440 0.909,441 8.088,442 0.202,443 11.255,444 0.281,445 0.148,446 0.025,447 0.223,450 0.764,451 1.367,452 0.63,453 0.959,454 0.554,455 0.967,456 0.853,457 1.269,458 0.714,459 0.973,460 0.569,461 1.022,462 0.95,463 1.033,464 0.853,465 0.933,466 0.908,467 1.004,468 1.15,469 0.981,470 0.818,471 0.851,472 1.44,473 0.905,474 1.042,475 1.052,476 0.944,477 1.034,478 1.26,479 0.917,480 1.035,481 1.029,482 0.856,483 0.979,484 1.242,485 0.924,486 1.161,487 0.972,488 0.705,489 0.84,490 1.514,491 0.905,492 1.156,493 1.041,494 0.836,495 0.965,496 1.554,497 1.028,498 8.5,499 0.305,500 4.222,501 2.438,502 2.161,503 1.24,504 1.024,505 0.697,506 0.501,507 0.409,508 26712,509 76263,510 2.044,511 48.1,512 4,513 21,516 4,518 6,519 2,520 1.805,521 1.928,522 3.824,523 1.456,527 130.547,528 1.695,529 3.585,530 4.751,531 5.478,532 5.54,533 5.54,534 3.318,535 4.853,536 5.288,537 4.033,538 3145.62,539 9.367,540 56208.7,544 482.543,545 1.416,546 5.254,547 0.198,548 0.006,549 0.073,550 0.042,551 0.039,552 0.021,553 0.017,554 0.011,555 0.008,556 0.007,557 0.422,558 0.17,559 0.75,560 0.508,561 227.212,562 -0.058,563 -0.119,564 0.013,565 -0.019,566 -0.016,567 0.012,568 0.02,569 -0.128,570 0.012,571 -0.059,572 0.057,573 -0.065,574 0.027,575 0.006,576 0.023,577 -0.005,578 0.006,579 -0.048,580 -0.096,581 0.016,582 0.038,583 0.073,584 -0.103,585 0.043,586 0.042,587 0.003,588 0.018,589 0.02,590 0.112,591 0.046,592 -0.017,593 0.032,594 0.026,595 0.022,596 -0.011,597 0.035,598 -0.07,599 0.047,600 0.055,601 0.067,602 -0.074,603 0.039,604 -0.112,605 -0.022,606 -0.05,607 -0.027,608 -0.121,609 -0.068,610 2.161,611 6.797,612 0.575,613 55.858,614 1.003,615 1.13,616 2.904,617 8.432,618 0.671,619 3.784,620 4.078,621 4.29,622 4.477,623 4.615,624 4.575,625 4.635,626 4.7,627 4.762,628 4.804,629 8.821,630 0.624,631 606.68,632 3.784,633 5.313,634 6.138,635 6.995,636 7.837,637 8.699,638 9.551,639 10.417,640 11.274,641 12.144,642 6.5,645 1,648 4,654 8,659 4,661 12,669 2,670 77,672 15,673 2,674 43,676 80,677 29,678 12,679 4,680 8,683 4,684 4,685 2,687 1,691 4,692 1,694 7,696 15,697 14,698 1,699 3,703 2,704 1,707 3,713 37,714 8,715 4,716 11,717 3,720 5,721 1,722 3,732 1,733 3,742 2,749 1,752 1,753 4,755 1,758 2,761 40,766 12,767 4,768 1,770 1,771 1,772 1,777 2,778 3.9,781 2,782 1,785 20.75,786 13.152,787 8.931,788 4.802,789 1.364,790 1.183,791 0.95,792 12.036,793 8.834,794 3.97,795 4.431,796 4.812,797 5.193,798 5.582,799 5.48,800 5.585,801 5.768,802 5.86,803 6.015,804 1,805 58,806 14.947,807 6.381,808 7.741,809 28.673,810 23.655,811 2.241,812 89.639,815 388.446,816 176.454,817 75.167,818 78.297,819 61.29,821 45.192,822 131.262,823 528.033,824 75.167,826 104.858,827 75.81,828 70.699,829 16.068,830 0.285,831 388.446,832 123.489,833 388.446,834 206.429,835 61.29,836 123.489,838 294.278,839 144.459,840 11,841 107.982,842 98.447,843 78.297,844 45.192,845 388.446,846 136.457,847 254.751,850 388.446,851 55.452,852 78.934,853 72.043,854 184.779,855 388.446,856 136.457,857 254.751,859 0.574,860 0.33,861 0.17,862 0.088,863 24,864 11,865 0.138,866 11,868 1,869 4.976,870 379.525,872 23,873 200.877,875 1,878 31.163,879 15.449,880 9.371,882 136.457,883 14.85,888 2.49,890 72.043,891 779.655,892 52,896 27.132,897 5.565,900 -0.112,902 77.236,903 86.986,904 0.271,905 0.572,906 0.758,907 0.874,908 0.884,909 0.884,910 5.215,911 1.811,912 6.12,913 5.326,914 4.762,915 5.118,916 3.094,917 6.917,918 4.651,919 6.372,920 1.633,921 7.676,922 4.721,923 4.369,924 4.844,925 2.477,926 8.085,927 4.183,928 7.658,929 1.51,930 9.352,931 3.634,932 6.372,933 7.102,934 4.009,935 11.141,936 6.183,937 8.977,938 1.414,939 11.11,940 3.522,941 6.858,942 7.621,943 4.035,944 13.294,945 6.633,946 10.334,947 1.36,948 12.928,949 3.23,950 8.332,951 9.393,952 5.144,953 15.989,954 8.097,955 11.715,956 1.184,957 14.793,958 2.953,959 9.224,960 10.267,961 5.459,962 18.48,963 8.976,964 13.116,965 1,966 16.694,967 2.638,968 10.514,969 11.842,970 6.367,971 21.114,972 10.254,973 3.499,974 1,975 18.625,976 2.211,977 11.593,978 12.896,979 6.834,980 23.704,981 11.327,982 2.843,983 13.886,984 20.578,985 2.136,986 12.828,987 14.373,988 7.634,989 26.332,990 12.55,991 2.821,992 8.815,993 22.549,994 3.876,995 13.993,996 15.531,997 8.186,998 28.95,999 13.707,1000 2.522,1001 8.371,1002 24.534,1003 3.681,1004 15.218,1005 16.953,1006 8.927,1007 31.579,1008 14.92,1009 2.41,1010 6.966,1011 26.53,1012 3.467,1013 16.424,1014 18.173,1015 9.528,1016 34.206,1017 16.115,1018 2.381,1019 6.918,1020 28.534,1021 3.057,1022 17.653,1023 19.562,1024 10.237,1025 36.836,1026 17.331,1027 1.899,1028 6.765,1029 30.544,1030 2.953,1031 18.878,1032 20.823,1033 10.868,1034 39.465,1035 18.543,1036 25563,1037 43533,1038 28.602,1039 51.699,1040 63.196,1041 66.08,1042 65.181,1043 63.101,1044 62.781,1045 74.634,1046 16.093,1047 173.957,1048 58.942,1049 5.567,1050 6.105,1051 7.427,1052 5.583,1053 5.499,1054 6.876,1055 3.484,1056 21.283,1057 5.428,1058 19.365,1059 1.47,1060 1.537,1061 1.516,1062 1.467,1063 1.46,1064 1.736,1065 0.374,1066 4.046,1067 1.371,1068 3.998,1069 4.04,1070 4.128,1071 3.903,1072 7.433,1073 3.897,1074 3.909,1075 3.941,1076 3.955,1077 3.853,1078 7.423,1079 3.843,1080 3.878,1081 3.909,1082 3.858,1083 3.788,1084 5.058,1085 3.782,1086 3.823,1087 3.885,1088 3.728,1089 3.621,1090 4.841,1091 3.63,1092 3.671,1093 3.724,1094 3.696,1095 3.468,1096 4.752,1097 3.486,1098 3.485,1099 3.552,1100 3.574,1101 3.336,1102 4.627,1103 3.299,1104 3.389,1105 3.437,1106 3.402,1107 3.302,1108 4.49,1109 3.252,1110 3.2,1111 3.239,1112 3.329,1113 2.968,1114 4.284,1115 2.989,1116 0.106,1117 0.095,1118 0.177,1119 0.104,1120 0.081,1121 4.567,1122 0.09,1123 4.105,1124 0.046,1125 7.625,1126 0.323,1127 4.479,1128 0.08,1129 3.499,1130 3.876,1131 1.987,1132 13.886,1133 3.428,1134 1.927,1135 1.897,1136 2.057,1137 2.033,1138 1.301,1139 2.039,1140 1.877,1141 1.859,1142 1.985,1143 1.994,1144 1.249,1145 1.995,1146 1.766,1147 1.703,1148 1.932,1149 1.962,1150 1.211,1151 1.969,1152 1.71,1153 1.67,1154 1.86,1155 1.89,1156 1.191,1157 1.883,1158 1.584,1159 1.529,1160 1.853,1161 1.808,1162 1.09,1163 1.81,1164 1.577,1165 1.507,1166 1.81,1167 1.751,1168 1.056,1169 1.793,1170 1.448,1171 1.388,1172 1.68,1173 1.649,1174 0.89,1175 1.665,1176 1.205,1177 1.179,1178 1.513,1179 1.388,1180 0.825,1181 1.429,1182 4.466,1183 5.765,1184 2.398,1185 7.249,1186 4.595,1187 8.817,1188 6.605,1189 10.43,1192 12.164,1197 8.979,1198 12.455,1199 5.403,1201 -0.714,1202 2.337,1203 -0.911,1206 48.049,1207 130.547,1208 276.082,1209 365.814,1210 421.788,1211 426.543,1212 426.543,1213 110.28,1214 7.47,1215 94.73,1216 126.82,1217 23,1218 12.691,1219 4,1220 3.322,1221 72.878,1222 204,1223 238,1224 0.163,1225 306.785,1226 545.56,1227 740.316,1228 17510,1229 2.6,1230 28.374,1231 0.709,1232 0.621,1233 29.874,1234 24.846,1235 19.343,1236 0.45,1237 0.348,1238 13.74,1239 17.888,1240 13.404,1241 11,1242 20.209,1243 14.979,1244 17.15,1245 0.296,1246 0.199,1247 18.3,1248 11.534,1249 13.911,1250 0.193,1251 0.116,1252 15.045,1253 8.324,1254 10.924,1255 0.126,1256 0.066,1257 11.695,1258 5.77,1259 8.334,1260 0.083,1261 0.036,1262 9.013,1263 3.616,1264 0.259,1265 129.714,1266 0.187,1267 36.264,1268 0.44,1269 202,1270 575.45,1271 264.622,1272 633.11,1273 820.34,1274 588,1275 231,1276 517.288,1277 284.492,1278 549.401,1279 800.57,1280 517,1281 5}
{0 CHEMBL236661,1 1.504,2 14.359,3 5.111,4 26.126,5 157.206,6 6.947,7 0.381,8 4.427,9 4.56,10 3.95,11 3.999,12 5.438,13 3.933,14 4.999,15 5.182,16 4.315,17 4.422,18 5.961,19 4.311,20 5.35,21 5.596,22 4.409,23 4.551,24 6.279,25 4.416,26 5.398,27 5.649,28 4.349,29 4.504,30 6.394,31 4.387,32 5.354,33 5.59,34 4.438,35 4.484,36 6.542,37 4.391,38 5.376,39 5.594,40 4.518,41 4.565,42 6.485,43 4.471,44 5.459,45 5.685,46 4.47,47 4.641,48 6.509,49 4.53,50 5.478,51 5.704,52 4.467,53 4.702,54 6.522,55 4.572,56 0.077,57 1.136,58 18.531,59 7.89,60 12.197,61 10.638,62 0.3,63 1.873,64 34.739,65 14.007,66 38.494,67 19.047,68 0.58,69 2.408,70 53.824,71 18.362,72 72.086,73 25.502,74 0.602,75 2.409,76 56.158,77 17.695,78 88.588,79 24.505,80 0.88,81 2.303,82 53.115,83 16.689,84 159.487,85 22.993,86 0.699,87 2.447,88 57.291,89 17.803,90 107.938,91 23.762,92 0.716,93 2.608,94 60.453,95 19.795,96 114.189,97 26.385,98 0.705,99 2.689,100 58.939,101 21.054,102 124.965,103 28.685,104 25,105 56,106 0.23,107 0.507,108 0.662,109 0.808,110 0.867,111 0.875,112 3.693,113 1.069,114 -4.27,115 -4.21,116 -3.98,119 39.2,121 10,125 2,126 1,127 1,132 10,133 2,141 2,144 3,148 1,149 1,150 1,155 19,160 3,162 5,163 22,164 1,166 5,168 2,169 2,170 10,173 14,174 1,176 8,181 9,183 3,184 1,185 2,186 9,189 2,191 11,193 7,194 1,196 12,198 1,199 1,200 11,203 12,206 9,210 1,211 7,213 1,214 19,217 1,218 6,221 1,223 7,224 28,227 7,228 1,229 1,231 6,234 27,238 3489,239 26.672,240 26.672,241 26.672,242 26.672,243 26.672,244 24.446,245 18.663,246 16.438,247 26.951,248 20.725,249 20.725,250 20.725,251 20.725,252 20.725,253 17.276,254 16.939,255 7.808,256 21.18,257 4.8,258 2.99,259 1.978,260 1.023,261 0.633,262 0.582,263 4.387,267 1,268 1193,269 5.196,271 106.061,272 453.783,274 205.292,277 2.097,278 45.563,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.5,286 0.5,287 0.71,288 83,289 560,290 4.583,291 4.087,292 7.625,293 4.479,294 3.497,295 4.425,296 1.985,297 13.891,298 3.43,299 4.469,300 3.72,301 6.335,302 3.968,303 3.026,304 3.685,305 1.925,306 9.735,307 2.849,308 4.026,309 3.532,310 6.074,311 3.813,312 2.823,313 3.467,314 1.058,315 8.815,316 2.789,317 3.829,318 2.891,319 5.792,320 3.434,321 2.441,322 3.213,323 0.343,324 7.733,325 2.412,326 3.776,327 2.76,328 5.294,329 3.403,330 2.403,331 3.043,332 0.14,333 6.768,334 2.393,335 3.1,336 2.688,337 4.892,338 2.884,339 1.898,340 2.298,342 4.874,343 1.868,344 3.032,345 2.015,346 4.414,347 2.796,348 1.79,349 2.226,351 4.312,352 1.794,353 2.985,354 1.903,355 4.205,356 2.581,357 1.598,358 2.118,360 3.777,361 1.568,362 2.925,363 1.782,364 4.142,365 2.518,366 1.532,367 2.048,369 3.603,370 1.513,371 2.847,372 1.619,373 3.8,374 2.464,375 1.517,376 1.851,378 3.411,379 1.425,380 2.616,381 1.598,382 3.732,383 2.418,384 1.428,385 1.615,387 3.057,388 1.394,389 2.535,390 1.532,391 3.656,392 2.356,393 1.361,394 1.513,396 2.871,397 1.346,398 2.5,399 1.491,400 3.581,401 2.06,402 1.083,403 1.5,405 2.6,406 1.046,407 2.426,408 1.309,409 3.534,410 2,411 1,412 1.367,414 2.282,415 1,416 2.277,417 1.108,418 3.315,419 2,420 1,421 1.161,423 2.23,424 1,425 18.933,426 0.485,427 0.754,428 0.019,429 42,430 1.077,431 18.5,432 0.474,433 23.5,434 0.603,435 45.567,436 1.168,437 43.467,438 0.55,439 35.25,440 0.904,441 7.519,442 0.193,443 11.485,444 0.294,445 0.074,446 0.026,447 0.211,450 0.738,451 1.165,452 0.864,453 1.001,454 0.593,455 0.999,456 0.552,457 1.203,458 0.924,459 1.105,460 0.533,461 1.119,462 0.841,463 1.032,464 0.926,465 1.018,466 0.847,467 0.976,468 1.511,469 1.013,470 1.015,471 0.928,472 1.468,473 0.914,474 1.463,475 0.958,476 0.897,477 0.831,478 1.47,479 0.843,480 1.64,481 1.067,482 1.131,483 1.041,484 1.664,485 0.954,486 1.686,487 0.967,488 1.17,489 0.98,490 1.706,491 0.966,492 1.201,493 1.022,494 1.063,495 1.023,496 1.194,497 1.058,498 7,499 0.239,500 4,501 2.354,502 2.361,503 1.229,504 0.993,505 0.8,506 0.402,507 0.339,508 23729,509 54355,510 2.061,511 50.6,512 10,513 15,516 5,518 10,520 1.8,521 1.958,522 3.748,523 2.136,527 118.787,528 1.504,529 3.314,530 4.326,531 5.281,532 5.671,533 5.722,534 3.234,535 4.824,536 5.249,537 3.94,538 2919.39,539 9.301,540 50142.2,544 497.999,545 1.331,546 5.225,547 0.167,548 0.005,549 0.071,550 0.041,551 0.042,552 0.02,553 0.015,554 0.012,555 0.006,556 0.006,557 0.385,559 0.75,560 1.557,561 218.288,562 -0.061,563 0.068,564 0.044,565 0.087,566 -0.03,567 0.065,568 0.149,569 -0.07,570 0.023,571 -0.042,572 0.059,573 -0.078,574 0.116,575 -0.01,576 0.08,577 -0.02,578 0.021,579 0.012,580 -0.133,581 -0.016,582 -0.007,583 0.007,584 -0.108,585 0.026,586 0.11,587 0.043,588 0.099,589 0.09,590 0.153,591 0.089,592 -0.09,593 -0.014,594 -0.012,595 -0.024,596 -0.08,597 0.001,598 -0.204,599 0.057,600 -0.112,601 0.011,602 -0.158,603 -0.008,604 -0.045,605 -0.008,606 -0.104,607 -0.042,609 -0.073,610 2.289,611 6.898,612 0.538,613 50.801,614 0.992,615 1.127,616 3.042,617 9.255,618 0.655,619 3.761,620 4.043,621 4.29,622 4.511,623 4.718,624 4.736,625 4.836,626 4.977,627 4.99,628 5.004,629 8.309,630 0.606,631 548.82,632 3.761,633 5.283,634 6.116,635 6.978,636 7.837,637 8.711,638 9.583,639 10.464,640 11.343,641 12.23,642 5.1,643 1,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 79,672 19,673 2,674 42,676 82,677 31,678 14,679 3,680 9,681 1,683 4,684 5,688 1,691 5,692 1,694 11,696 17,697 14,698 1,699 3,703 3,707 3,713 40,714 7,715 5,716 8,717 1,720 4,721 0.75,722 3,732 1,733 3,735 1,742 2,747 1,753 3,755 1,761 39,762 1,766 12,767 3,770 1,772 1,774 1,778 3.8,781 3,785 19.917,786 13.417,787 8.875,788 5.174,789 2.324,790 1.305,791 0.961,792 11.071,793 9.95,794 3.989,795 4.486,796 4.988,797 5.485,798 5.955,799 6.127,800 6.41,801 6.779,802 6.709,803 6.789,804 0.9,805 58,806 14.673,807 6.323,808 7.72,809 28.321,810 23.68,811 2.22,812 86.583,815 411.989,816 177.574,817 86.929,819 75.435,821 31.278,822 146.296,823 487.423,824 86.929,826 116.486,827 94.762,828 89.549,829 5.759,830 2.104,831 443.266,833 411.989,834 233.225,835 75.435,836 31.278,838 294.278,839 193.146,841 116.486,842 116.739,844 31.278,845 411.989,846 162.364,847 177.574,850 411.989,851 82.811,852 94.762,853 54.032,854 108.332,855 411.989,856 162.364,857 177.574,859 0.563,860 0.326,861 0.173,862 0.095,863 23,864 10,865 0.159,866 13,867 1,868 1.095,869 4.854,870 373.627,871 0.095,872 21,873 198.131,874 1,878 29.387,879 14.692,880 8.201,881 2.046,882 162.364,883 19.454,887 1.426,888 1.551,890 86.929,891 751.926,892 53,896 40.553,900 -0.724,902 78.37,903 89.015,904 0.239,905 0.526,906 0.686,907 0.838,908 0.9,909 0.908,910 5.215,911 1.598,912 6.089,913 4.312,914 4.727,915 5.173,916 2.799,917 6.905,918 4.683,919 6.382,920 1.532,921 7.652,922 3.777,923 4.29,924 4.902,925 2.179,926 8.107,927 4.226,928 7.675,929 1.517,930 9.341,931 3.603,932 6.344,933 7.274,934 3.756,935 11.189,936 6.25,937 9.01,938 1.428,939 11.115,940 3.411,941 6.836,942 7.897,943 3.785,944 13.351,945 6.714,946 10.386,947 1.361,948 12.95,949 3.057,950 8.335,951 9.738,952 4.918,953 16.049,954 8.19,955 11.791,956 1.083,957 14.829,958 2.871,959 9.246,960 10.778,961 5.249,962 18.529,963 9.071,964 13.218,965 1,966 16.741,967 2.6,968 10.548,969 12.406,970 6.171,971 21.156,972 10.353,973 3.497,974 1,975 18.677,976 2.282,977 11.64,978 13.656,979 6.657,980 23.736,981 11.42,982 3.026,983 13.891,984 20.633,985 2.23,986 12.879,987 15.192,988 7.468,989 26.358,990 12.64,991 2.823,992 9.735,993 22.603,994 4.425,995 14.048,996 16.551,997 8.038,998 28.97,999 13.788,1000 2.441,1001 8.815,1002 24.586,1003 3.685,1004 15.273,1005 18.05,1006 8.789,1007 31.595,1008 14.996,1009 2.403,1010 7.733,1011 26.578,1012 3.467,1013 16.478,1014 19.467,1015 9.404,1016 34.218,1017 16.182,1018 1.898,1019 6.768,1020 28.577,1021 3.213,1022 17.704,1023 20.951,1024 10.121,1025 36.846,1026 17.391,1027 1.79,1028 4.874,1029 30.583,1030 3.043,1031 18.926,1032 22.4,1033 10.762,1034 39.474,1035 18.596,1036 22880,1037 34879,1038 28.197,1039 51.739,1040 61.758,1041 63.565,1042 64.138,1043 60.877,1044 60.932,1045 75.719,1046 10.902,1047 168.631,1048 59.637,1049 5.583,1050 6.087,1051 7.589,1052 5.594,1053 5.497,1054 7.425,1055 3.48,1056 21.327,1057 5.43,1058 16.905,1059 1.47,1060 1.513,1061 1.527,1062 1.449,1063 1.451,1064 1.803,1065 0.26,1066 4.015,1067 1.42,1068 4.09,1069 4.1,1070 4.335,1071 4.108,1072 7.436,1073 4.055,1074 3.962,1075 3.997,1076 3.891,1077 3.879,1078 7.427,1079 3.873,1080 3.885,1081 3.926,1082 3.796,1083 3.783,1084 7.422,1085 3.778,1086 3.772,1087 3.838,1088 3.635,1089 3.63,1090 5.007,1091 3.617,1092 3.646,1093 3.704,1094 3.527,1095 3.459,1096 4.858,1097 3.472,1098 3.508,1099 3.564,1100 3.503,1101 3.402,1102 4.751,1103 3.382,1104 3.463,1105 3.52,1106 3.316,1107 3.278,1108 4.324,1109 3.269,1110 3.3,1111 3.345,1112 3.22,1113 3.132,1114 4.216,1115 3.133,1116 0.109,1117 0.097,1118 0.182,1119 0.107,1120 0.083,1121 4.583,1122 0.105,1123 4.087,1124 0.047,1125 7.625,1126 0.331,1127 4.479,1128 0.082,1129 3.497,1130 4.425,1131 1.985,1132 13.891,1133 3.43,1134 1.932,1135 1.902,1136 2.092,1137 2.066,1138 1.475,1139 2.073,1140 1.919,1141 1.9,1142 2.053,1143 2.007,1144 1.362,1145 2.024,1146 1.889,1147 1.846,1148 2.018,1149 1.97,1150 1.236,1151 1.99,1152 1.769,1153 1.705,1154 2.007,1155 1.946,1156 1.136,1157 1.973,1158 1.595,1159 1.542,1160 1.808,1161 1.818,1162 1.055,1163 1.817,1164 1.534,1165 1.531,1166 1.711,1167 1.701,1168 0.906,1169 1.711,1170 1.455,1171 1.38,1172 1.578,1173 1.654,1174 0.825,1175 1.655,1176 1.254,1177 1.209,1178 1.513,1179 1.472,1180 0.818,1181 1.474,1182 4.443,1183 5.733,1184 2.398,1185 7.222,1186 4.727,1187 8.804,1188 6.843,1189 10.438,1195 5.568,1197 9.319,1198 9.16,1201 -0.732,1203 -1.039,1206 47.899,1207 118.787,1208 261.815,1209 341.747,1210 417.17,1211 447.999,1212 451.999,1213 114.182,1214 7.626,1215 113.32,1216 141.56,1217 23,1218 12.763,1219 4.322,1220 3.585,1221 69.941,1222 187,1223 263,1224 0.173,1225 299.582,1226 525.2,1227 722.741,1228 20574,1230 27.504,1231 0.705,1232 0.599,1233 27.857,1234 23.363,1235 19.004,1236 0.452,1237 0.356,1238 14.105,1239 18.119,1240 13.771,1241 11.436,1242 19.412,1243 14.961,1244 16.311,1245 0.291,1246 0.206,1247 16.953,1248 11.539,1249 13.54,1250 0.188,1251 0.119,1252 14.396,1253 8.593,1254 10.804,1255 0.12,1256 0.069,1257 11.646,1258 6.208,1259 8.769,1260 0.079,1261 0.039,1262 9.53,1263 4.381,1264 0.272,1265 121.435,1266 0.188,1267 35.267,1268 0.473,1269 196,1270 502.378,1271 235.121,1272 510.48,1273 687.46,1274 476,1275 226,1276 474.99,1277 263.689,1278 497.843,1279 728.17,1280 471,1281 6}
{0 CHEMBL237048,1 1.518,2 15.244,3 4.694,4 22.032,5 180.813,6 7.255,7 0.44,8 4.534,9 4.659,10 4.108,11 4.116,12 5.554,13 4.064,14 5.109,15 5.289,16 4.497,17 4.55,18 6.083,19 4.467,20 5.421,21 5.638,22 4.568,23 4.703,24 6.381,25 4.587,26 5.537,27 5.785,28 4.484,29 4.677,30 6.5,31 4.55,32 5.48,33 5.728,34 4.565,35 4.618,36 6.611,37 4.52,38 5.455,39 5.669,40 4.661,41 4.668,42 6.587,43 4.589,44 5.534,45 5.758,46 4.641,47 4.737,48 6.622,49 4.652,50 5.515,51 5.713,52 4.697,53 4.828,54 6.622,55 4.721,56 0.059,57 1.261,58 19.048,59 8.271,60 11.325,61 10.991,62 0.384,63 2.143,64 37.066,65 14.135,66 39.532,67 19.214,68 0.619,69 2.744,70 55.131,71 19.573,72 66.855,73 26.51,74 0.622,75 2.854,76 63.256,77 21.788,78 91.1,79 29.385,80 0.847,81 2.69,82 59.404,83 19.841,84 154.739,85 27.086,86 0.731,87 2.751,88 60.168,89 19.195,90 106.936,91 25.091,92 0.795,93 2.872,94 61.543,95 20.746,96 119.454,97 27.278,98 0.65,99 2.916,100 59.967,101 22.579,102 125.722,103 29.292,104 17,105 70,106 0.226,107 0.507,108 0.671,109 0.797,110 0.845,111 0.852,112 3.832,113 0.997,114 -4.23,115 -4.17,116 -3.94,119 41.9,121 4,124 1,125 6,126 1,127 1,132 14,133 4,141 2,144 3,155 20,158 1,160 3,162 4,163 27,165 1,166 5,168 2,169 2,170 8,173 18,176 8,179 1,181 8,183 5,185 2,186 10,189 2,191 12,193 7,195 1,196 14,198 1,199 1,200 12,203 11,206 11,209 2,211 6,214 20,217 1,218 7,221 1,223 7,224 32,226 2,227 10,231 7,234 28,238 5116,239 30.661,240 30.661,241 30.661,242 30.661,243 30.661,244 27.684,245 30.473,246 18.262,247 31.156,248 24.717,249 24.717,250 24.717,251 24.717,252 24.717,253 20.191,254 34.794,255 8.749,256 25.496,257 4.909,258 3.022,259 1.919,260 1.074,261 0.753,262 0.706,263 4.542,267 1,268 1514,269 5.099,271 233.509,272 681.974,274 454.818,277 2.261,278 46.72,280 0.75,281 0.5,282 0.67,283 0.7,284 0.5,285 0.67,286 0.5,287 0.61,288 95.5,289 686,290 4.662,291 4.12,292 7.663,293 4.543,294 3.559,295 4.425,296 1.985,297 14.122,298 3.5,299 4.485,300 3.723,301 6.336,302 3.972,303 3.03,304 3.964,305 1.925,306 9.74,307 2.853,308 4.081,309 3.533,310 6.118,311 3.831,312 2.84,313 3.506,314 1.058,315 8.923,316 2.808,317 3.998,318 3.114,319 6.046,320 3.664,321 2.668,322 3.455,323 0.8,324 8.67,325 2.656,326 3.823,327 2.944,328 5.79,329 3.54,330 2.618,331 3.204,332 0.8,333 7.712,334 2.417,335 3.766,336 2.883,337 5.412,338 3.428,339 2.433,340 3.033,341 0.343,342 7.154,343 2.406,344 3.618,345 2.734,346 5.294,347 3.393,348 2.394,349 2.618,350 0.14,351 6.765,352 2.38,353 3.119,354 2.485,355 4.889,356 3.029,357 2.116,358 2.298,360 5.696,361 1.932,362 3.059,363 2.47,364 4.837,365 2.721,366 1.75,367 2.225,369 4.757,370 1.69,371 3.032,372 2.006,373 4.532,374 2.532,375 1.532,376 2.143,378 4.397,379 1.532,380 2.976,381 1.821,382 4.414,383 2.529,384 1.532,385 2.113,387 4.312,388 1.522,389 2.925,390 1.781,391 4.184,392 2.499,393 1.531,394 2.084,396 3.629,397 1.494,398 2.879,399 1.693,400 4.084,401 2.453,402 1.484,403 2.012,405 3.354,406 1.403,407 2.8,408 1.532,409 3.623,410 2.404,411 1.414,412 1.866,414 3.016,415 1.392,416 2.565,417 1.491,418 3.593,419 2.334,420 1.339,421 1.54,423 2.95,424 1.326,425 21.833,426 0.485,427 1.048,428 0.023,429 53.25,430 1.183,431 24.5,432 0.544,433 28.75,434 0.639,435 50.085,436 1.113,437 48.367,438 0.562,439 48.289,440 1.073,441 10.395,442 0.231,443 11.486,444 0.255,445 0.069,446 0.023,447 0.266,450 0.721,451 1.262,452 0.805,453 1.004,454 0.533,455 0.963,456 0.779,457 1.058,458 0.91,459 0.929,460 0.536,461 0.957,462 0.955,463 1.065,464 1.06,465 1.096,466 0.909,467 1.087,468 1.322,469 1.025,470 1.005,471 0.985,472 1.406,473 0.976,474 1.187,475 0.962,476 0.801,477 0.826,478 1.198,479 0.808,480 1.552,481 1.066,482 1.083,483 1.025,484 1.6,485 0.922,486 1.761,487 0.821,488 0.967,489 0.79,490 1.909,491 0.836,492 1.241,493 1.061,494 1.072,495 1.054,496 1.362,497 1.036,498 9.5,499 0.377,500 5.111,501 3.118,502 3.073,503 1.344,504 1.371,505 0.959,506 0.656,507 0.571,508 37084,509 83639,510 2.128,511 47.7,513 30,516 3,518 6,519 2,520 1.835,521 2.022,522 3.826,523 0.66,527 130.517,528 1.518,529 3.404,530 4.508,531 5.352,532 5.673,533 5.72,534 3.356,535 4.87,536 5.458,537 4.038,538 3997.34,539 9.722,540 75614.4,544 552.659,545 1.367,546 5.433,547 0.19,548 0.005,549 0.073,550 0.045,551 0.047,552 0.019,553 0.018,554 0.012,555 0.008,556 0.007,557 0.424,558 0.33,559 0.63,560 0.432,561 261.984,562 -0.028,563 -0.081,564 0.064,565 0.024,566 -0.017,567 0.035,568 0.06,569 0.085,570 0.03,571 0.066,572 0.046,573 0.016,574 0.046,575 -0.005,576 -0.064,577 -0.102,578 -0.016,579 -0.114,580 -0.081,581 -0.055,582 -0.014,583 -0.03,584 -0.082,585 -0.011,586 0.176,587 0.011,588 0.184,589 0.105,590 0.256,591 0.144,592 -0.029,593 -0.013,594 0.022,595 -0.024,596 0.003,597 0.02,598 -0.187,599 0.18,600 0.01,601 0.14,602 -0.148,603 0.1,604 -0.029,605 -0.043,606 -0.058,607 -0.027,608 0.021,609 -0.05,610 2.465,611 7.33,612 0.667,613 62.44,614 0.994,615 1.122,616 2.997,617 8.98,618 0.671,619 3.932,620 4.263,621 4.533,622 4.796,623 5.043,624 5.088,625 5.209,626 5.389,627 5.434,628 5.549,629 8.949,630 0.627,631 623.89,632 3.932,633 5.485,634 6.337,635 7.219,636 8.093,637 8.983,638 9.87,639 10.766,640 11.66,641 12.562,642 5.8,645 2,648 3,653 2,654 14,658 1,659 4,661 22,662 1,670 86,672 25,673 3,674 50,676 91,677 36,678 20,679 5,680 13,681 1,683 6,684 8,691 2,692 1,694 5,696 23,697 13,698 1,699 3,703 3,707 3,713 41,714 8,715 3,716 9,717 1,720 5,721 0.667,722 3,732 2,733 4,735 2,742 2,749 2,753 4,755 1,757 1,761 45,766 10,767 3,770 1,771 2,772 1,774 1,778 3.5,781 3,785 22.25,786 15.317,787 9.819,788 5.269,789 2.597,790 1.313,791 0.991,792 10.06,793 10.884,794 4.174,795 4.721,796 5.238,797 5.758,798 6.258,799 6.428,800 6.73,801 7.118,802 7.153,803 7.385,804 1,805 70,806 16.912,807 7.431,808 7.654,809 32.687,810 27.786,811 2.154,812 96.917,815 447.302,816 223.462,817 60.281,819 75.435,821 31.278,822 192.184,823 522.737,824 60.281,825 8.396,826 76.805,827 132.667,828 89.549,829 18.378,830 2.104,831 478.58,833 447.302,834 252.465,835 75.435,836 31.278,838 353.133,839 169.604,841 83.053,842 169.412,844 31.278,845 447.302,846 135.716,847 223.462,850 447.302,851 82.398,852 147.312,853 54.032,854 75.435,855 447.302,856 135.716,857 223.462,859 0.581,860 0.337,861 0.18,862 0.104,863 33,864 14,865 0.121,866 11,867 2,868 1.133,869 5.339,870 479.257,871 0.133,872 30,873 231.133,874 1,878 31.562,879 14.344,880 7.7,881 2.01,882 135.716,883 27.381,887 1.411,888 3.557,890 54.032,891 806.479,892 64,896 41.654,900 -0.846,902 85.472,903 96.513,904 0.236,905 0.53,906 0.701,907 0.833,908 0.883,909 0.89,910 5.427,911 2.116,912 6.33,913 6.765,914 4.949,915 5.409,916 2.909,917 7.162,918 4.891,919 6.614,920 1.75,921 7.902,922 5.696,923 4.575,924 5.156,925 2.262,926 8.299,927 4.491,928 7.916,929 1.532,930 9.588,931 4.757,932 6.586,933 7.525,934 3.778,935 11.394,936 6.473,937 9.253,938 1.532,939 11.349,940 4.397,941 7.083,942 8.121,943 3.799,944 13.493,945 6.949,946 10.628,947 1.531,948 13.165,949 4.312,950 8.567,951 9.976,952 4.922,953 16.203,954 8.409,955 12.028,956 1.484,957 15.023,958 3.629,959 9.465,960 10.984,961 5.251,962 18.665,963 9.291,964 13.45,965 1.414,966 16.913,967 3.354,968 10.762,969 12.622,970 6.172,971 21.305,972 10.569,973 3.559,974 1.339,975 18.831,976 3.016,977 11.847,978 13.845,979 6.658,980 23.891,981 11.64,982 3.03,983 14.122,984 20.771,985 2.95,986 13.088,987 15.385,988 7.469,989 26.527,990 12.866,991 2.84,992 9.74,993 22.728,994 4.425,995 14.261,996 16.723,997 8.038,998 29.153,999 14.025,1000 2.668,1001 8.923,1002 24.701,1003 3.964,1004 15.493,1005 18.219,1006 8.789,1007 31.794,1008 15.244,1009 2.618,1010 8.67,1011 26.686,1012 3.506,1013 16.707,1014 19.619,1015 9.404,1016 34.433,1017 16.445,1018 2.433,1019 7.712,1020 28.681,1021 3.455,1022 17.946,1023 21.097,1024 10.121,1025 37.077,1026 17.67,1027 2.394,1028 7.154,1029 30.684,1030 3.204,1031 19.181,1032 22.531,1033 10.762,1034 39.722,1035 18.893,1036 34270,1037 51791,1038 33.978,1039 57.745,1040 75.639,1041 77.158,1042 77.196,1043 74.61,1044 74.6,1045 93.759,1046 14.102,1047 214.417,1048 72.464,1049 5.662,1050 6.12,1051 7.465,1052 5.661,1053 5.559,1054 7.425,1055 3.48,1056 21.693,1057 5.5,1058 18.421,1059 1.513,1060 1.543,1061 1.544,1062 1.492,1063 1.492,1064 1.875,1065 0.282,1066 4.288,1067 1.449,1068 4.106,1069 4.124,1070 4.335,1071 4.112,1072 7.436,1073 4.062,1074 4.021,1075 4.039,1076 3.986,1077 3.973,1078 7.427,1079 3.965,1080 3.931,1081 3.97,1082 3.855,1083 3.865,1084 7.422,1085 3.857,1086 3.856,1087 3.927,1088 3.737,1089 3.662,1090 4.861,1091 3.67,1092 3.708,1093 3.759,1094 3.635,1095 3.527,1096 4.761,1097 3.546,1098 3.61,1099 3.661,1100 3.545,1101 3.448,1102 4.736,1103 3.454,1104 3.499,1105 3.555,1106 3.451,1107 3.366,1108 4.413,1109 3.347,1110 3.399,1111 3.428,1112 3.324,1113 3.298,1114 4.219,1115 3.284,1116 0.093,1117 0.082,1118 0.153,1119 0.091,1120 0.071,1121 4.662,1122 0.089,1123 4.12,1124 0.04,1125 7.663,1126 0.282,1127 4.543,1128 0.07,1129 3.559,1130 4.425,1131 1.985,1132 14.122,1133 3.5,1134 1.927,1135 1.902,1136 2.057,1137 2.041,1138 1.34,1139 2.044,1140 1.919,1141 1.897,1142 2.019,1143 2.02,1144 1.248,1145 2.027,1146 1.896,1147 1.871,1148 2.012,1149 1.972,1150 1.172,1151 1.991,1152 1.804,1153 1.731,1154 2.007,1155 1.964,1156 1.164,1157 1.982,1158 1.722,1159 1.689,1160 1.865,1161 1.908,1162 1.141,1163 1.895,1164 1.616,1165 1.562,1166 1.828,1167 1.835,1168 1.135,1169 1.837,1170 1.501,1171 1.477,1172 1.686,1173 1.686,1174 0.89,1175 1.692,1176 1.435,1177 1.393,1178 1.544,1179 1.548,1180 0.825,1181 1.561,1182 4.615,1183 5.943,1184 3.045,1185 7.458,1186 5.476,1187 9.056,1188 7.653,1189 10.701,1191 2.141,1197 7.554,1198 9.3,1201 -0.787,1202 4.756,1203 -1.215,1206 53.921,1207 130.517,1208 292.73,1209 387.665,1210 460.252,1211 487.904,1212 491.904,1213 105.882,1214 8.287,1215 93.78,1216 122.02,1217 34,1218 13.085,1219 4.7,1220 3.907,1221 67.922,1222 232,1223 312,1224 0.133,1225 330.769,1226 579.16,1227 798.837,1228 46449,1230 31.227,1231 0.694,1232 0.591,1233 31.581,1234 26.575,1235 21.882,1236 0.438,1237 0.332,1238 15.706,1239 20.825,1240 15.26,1241 12.582,1242 22.29,1243 16.615,1244 19.817,1245 0.283,1246 0.191,1247 20.459,1248 13.396,1249 16.739,1250 0.182,1251 0.11,1252 17.595,1253 10.105,1254 13.64,1255 0.114,1256 0.061,1257 14.482,1258 7.316,1259 11.546,1260 0.075,1261 0.034,1262 12.307,1263 5.292,1264 0.209,1265 139.658,1266 0.172,1267 39.419,1268 0.365,1269 240,1270 610.356,1271 282.257,1272 617.075,1273 840.2,1274 578,1275 282,1276 590.441,1277 323.908,1278 619.088,1279 906.65,1280 583,1281 6.9}
{0 CHEMBL237097,1 1.437,2 15.341,3 7.244,4 52.477,5 181.176,6 6.585,7 0.34,8 4.586,9 4.723,10 4.062,11 4.141,12 5.538,13 4.066,14 5.178,15 5.38,16 4.414,17 4.556,18 6.072,19 4.437,20 5.513,21 5.768,22 4.514,23 4.698,24 6.382,25 4.555,26 5.586,27 5.847,28 4.477,29 4.688,30 6.506,31 4.555,32 5.58,33 5.832,34 4.568,35 4.704,36 6.651,37 4.585,38 5.631,39 5.87,40 4.637,41 4.794,42 6.629,43 4.666,44 5.729,45 5.989,46 4.592,47 4.85,48 6.652,49 4.706,50 5.711,51 5.963,52 4.591,53 4.867,54 6.681,55 4.721,56 0.092,57 1.334,58 22.943,59 9.579,60 11.53,61 13.243,62 0.391,63 2.21,64 43.004,65 16.354,66 38.839,67 22.975,68 0.665,69 2.806,70 62.832,71 21.131,72 67.062,73 30.163,74 0.705,75 2.883,76 66.685,77 21.216,78 83.011,79 30.336,80 0.971,81 2.856,82 65.819,83 21.162,84 156.249,85 30.161,86 0.832,87 3.085,88 72.329,89 23.38,90 108.723,91 32.569,92 0.797,93 3.294,94 77.6,95 25.894,96 107.481,97 36.166,98 0.848,99 3.283,100 74.379,101 25.76,102 134.383,103 36.328,104 44,105 62,106 0.213,107 0.468,108 0.657,109 0.803,110 0.836,111 0.836,112 3.81,113 1.112,114 -5.19,115 -5.08,116 -4.75,119 38.3,120 2,121 11,125 4,126 1,127 1,132 10,133 2,141 2,144 3,155 20,158 3,160 3,162 4,163 22,166 7,168 2,169 2,170 8,173 13,176 10,179 1,181 7,183 6,185 2,186 8,189 2,191 9,193 11,195 1,196 11,198 1,199 1,200 12,203 16,206 9,209 1,211 8,214 19,217 1,218 8,221 1,223 8,224 25,226 1,227 10,231 7,234 22,238 5032,239 30.111,240 30.111,241 30.111,242 30.111,243 30.111,244 27.885,245 25.179,246 18.624,247 30.488,248 23.156,249 23.156,250 23.156,251 23.156,252 23.156,253 19.707,254 28.492,255 8.767,256 23.767,257 5.118,258 3.39,259 2.117,260 1.129,261 0.91,262 0.91,263 4.502,267 1,268 1423,269 5.745,271 125.682,272 531.106,274 242.109,277 2.417,278 45.826,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 93,289 675,290 4.583,291 4.087,292 7.625,293 4.479,294 3.497,295 4.425,296 1.985,297 13.891,298 3.43,299 4.469,300 3.72,301 6.335,302 3.968,303 3.026,304 3.685,305 1.925,306 9.735,307 2.849,308 4.026,309 3.532,310 6.074,311 3.813,312 2.823,313 3.467,314 1.058,315 8.815,316 2.789,317 3.829,318 2.891,319 5.792,320 3.435,321 2.497,322 3.213,323 0.8,324 7.733,325 2.413,326 3.776,327 2.816,328 5.333,329 3.426,330 2.441,331 3.043,332 0.343,333 6.948,334 2.394,335 3.495,336 2.76,337 5.294,338 3.395,339 2.401,340 2.496,341 0.14,342 6.767,343 2.305,344 3.098,345 2.688,346 4.892,347 2.838,348 1.843,349 2.298,351 4.871,352 1.825,353 3.032,354 2.009,355 4.414,356 2.625,357 1.642,358 2.225,360 4.312,361 1.609,362 2.984,363 1.782,364 4.204,365 2.527,366 1.532,367 2.115,369 3.643,370 1.524,371 2.922,372 1.723,373 4.135,374 2.523,375 1.532,376 2.048,378 3.602,379 1.516,380 2.627,381 1.598,382 3.732,383 2.464,384 1.524,385 1.63,387 3.066,388 1.461,389 2.594,390 1.557,391 3.658,392 2.463,393 1.462,394 1.58,396 3.017,397 1.413,398 2.532,399 1.532,400 3.608,401 2.391,402 1.398,403 1.532,405 2.867,406 1.376,407 2.5,408 1.491,409 3.567,410 2.231,411 1.247,412 1.5,414 2.695,415 1.222,416 2.46,417 1.355,418 3.532,419 2.013,420 1.04,421 1.405,423 2.469,424 1,425 21.433,426 0.487,427 0.822,428 0.019,429 45,430 1.023,431 18.5,432 0.42,433 26.5,434 0.602,435 57.185,436 1.3,437 49.967,438 0.532,439 38.262,440 0.87,441 7.804,442 0.177,443 13.631,444 0.31,445 0.093,446 0.023,447 0.205,450 0.711,451 1.315,452 0.906,453 1.111,454 0.542,455 1.091,456 0.652,457 1.205,458 0.951,459 1.082,460 0.512,461 1.097,462 0.907,463 1.052,464 0.946,465 1.01,466 0.853,467 0.976,468 1.496,469 1.001,470 1.012,471 0.925,472 1.448,473 0.922,474 1.39,475 0.968,476 0.9,477 0.854,478 1.38,479 0.873,480 1.445,481 1.09,482 1.095,483 1.061,484 1.525,485 1.005,486 1.441,487 0.954,488 1.044,489 0.942,490 1.492,491 0.924,492 1.254,493 1.017,494 1.011,495 0.974,496 1.283,497 0.997,498 8,499 0.338,500 4.444,501 2.604,502 2.521,503 1.284,504 1.075,505 0.925,506 0.427,507 0.439,508 33318,509 68486,510 2.04,511 53.2,512 16,513 19,516 3,518 10,519 2,520 1.828,521 1.934,522 3.877,523 0.651,527 135.066,528 1.437,529 3.164,530 4.437,531 5.425,532 5.645,533 5.645,534 3.38,535 4.715,536 5.426,537 4.102,538 3880.49,539 9.649,540 74161.2,544 616.131,545 1.345,546 5.397,547 0.17,548 0.006,549 0.072,550 0.04,551 0.039,552 0.018,553 0.015,554 0.013,555 0.006,556 0.007,557 0.385,558 0.17,559 0.75,560 1.833,561 256.65,562 -0.017,563 -0.052,564 0.056,565 0.025,566 -0.006,567 0.026,568 0.136,569 -0.049,570 0.036,571 -0.02,572 0.075,573 -0.047,574 0.111,575 -0.006,576 0.072,577 -0.015,578 0.035,579 0.011,580 -0.095,581 0.014,582 -0.002,583 0.01,584 -0.074,585 0.022,586 0.125,587 0.04,588 0.091,589 0.073,590 0.194,591 0.073,592 -0.006,593 -0.048,594 -0.008,595 -0.051,596 -0.021,597 -0.031,598 -0.1,599 0.041,600 -0.014,601 0.03,602 -0.082,603 0.039,604 -0.018,605 -0.013,606 -0.038,607 -0.009,608 0.02,609 -0.02,610 2.292,611 7.075,612 0.477,613 63.107,614 0.987,615 1.129,616 3.959,617 15.671,618 0.644,619 3.871,620 4.143,621 4.382,622 4.595,623 4.796,624 4.804,625 4.898,626 5.03,627 5.043,628 5.081,629 9.294,630 0.591,631 618.97,632 3.871,633 5.389,634 6.217,635 7.074,636 7.928,637 8.796,638 9.662,639 10.537,640 11.411,641 12.291,642 4.3,645 1,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 94,672 19,673 2,674 47,676 97,677 36,678 14,679 3,680 9,681 1,683 4,684 5,688 2,691 5,692 1,694 12,696 17,697 19,698 1,699 3,703 3,707 3,713 50,714 7,715 3,716 8,717 1,720 4,721 0.75,722 3,732 1,733 3,735 1,742 2,749 1,753 3,755 1,757 2,761 44,766 15,767 3,770 1,771 1,772 1,774 1,778 3.2,781 3,785 22.75,786 16.783,787 10.125,788 6.557,789 2.237,790 1.287,791 0.946,792 13.849,793 10.024,794 4.078,795 4.551,796 5.035,797 5.517,798 5.978,799 6.145,800 6.424,801 6.789,802 6.72,803 6.807,804 1,805 65,806 16.575,807 7.022,808 7.616,809 32.392,810 26.826,811 2.116,812 93.083,815 553.242,816 201.97,817 57.157,819 75.435,821 31.278,822 170.692,823 628.677,824 57.157,825 17.65,826 90.335,827 94.762,828 89.549,829 8.883,830 2.104,831 584.519,833 553.242,834 227.849,835 75.435,836 31.278,838 411.989,839 216.688,841 111.11,842 116.739,844 31.278,845 553.242,846 132.591,847 201.97,850 553.242,851 89.557,852 115.537,853 54.032,854 75.435,855 553.242,856 132.591,857 201.97,859 0.559,860 0.324,861 0.174,862 0.098,863 24,864 11,865 0.175,866 17,867 1,868 1.095,869 5.224,870 434.029,871 0.095,872 21,873 224.215,874 1,878 34.279,879 17.777,880 10.214,881 2.057,882 132.591,883 19.594,887 1.435,888 1.569,890 54.032,891 887.803,892 58,896 41.152,900 -0.686,902 92.788,903 106.091,904 0.219,905 0.483,906 0.677,907 0.828,908 0.861,909 0.861,910 5.303,911 1.642,912 6.184,913 4.871,914 4.828,915 5.239,916 2.856,917 6.987,918 4.776,919 6.458,920 1.532,921 7.739,922 4.312,923 4.369,924 4.945,925 2.221,926 8.155,927 4.288,928 7.744,929 1.532,930 9.418,931 3.643,932 6.431,933 7.31,934 3.767,935 11.231,936 6.32,937 9.07,938 1.524,939 11.181,940 3.602,941 6.899,942 7.919,943 3.792,944 13.37,945 6.758,946 10.438,947 1.462,948 13.004,949 3.066,950 8.4,951 9.754,952 4.92,953 16.063,954 8.235,955 11.835,956 1.398,957 14.873,958 3.017,959 9.289,960 10.788,961 5.25,962 18.535,963 9.1,964 13.255,965 1.247,966 16.775,967 2.867,968 10.589,969 12.412,970 6.171,971 21.16,972 10.379,973 3.497,974 1.04,975 18.704,976 2.695,977 11.668,978 13.66,979 6.658,980 23.738,981 11.436,982 3.026,983 13.891,984 20.653,985 2.469,986 12.903,987 15.194,988 7.469,989 26.358,990 12.654,991 2.823,992 9.735,993 22.618,994 4.425,995 14.065,996 16.553,997 8.038,998 28.97,999 13.797,1000 2.497,1001 8.815,1002 24.597,1003 3.685,1004 15.287,1005 18.051,1006 8.789,1007 31.595,1008 15.003,1009 2.441,1010 7.733,1011 26.586,1012 3.467,1013 16.488,1014 19.468,1015 9.404,1016 34.219,1017 16.186,1018 2.401,1019 6.948,1020 28.583,1021 3.213,1022 17.712,1023 20.952,1024 10.121,1025 36.846,1026 17.394,1027 1.843,1028 6.767,1029 30.587,1030 3.043,1031 18.931,1032 22.4,1033 10.762,1034 39.474,1035 18.598,1036 32306,1037 46844,1038 31.375,1039 60.546,1040 68.426,1041 70.242,1042 71.537,1043 67.715,1044 67.746,1045 82.537,1046 12.502,1047 185.848,1048 66.064,1049 5.583,1050 6.087,1051 7.505,1052 5.594,1053 5.497,1054 7.425,1055 3.48,1056 21.327,1057 5.43,1058 20.85,1059 1.456,1060 1.495,1061 1.522,1062 1.441,1063 1.441,1064 1.756,1065 0.266,1066 3.954,1067 1.406,1068 4.091,1069 4.103,1070 4.335,1071 4.109,1072 7.436,1073 4.056,1074 3.964,1075 4,1076 3.894,1077 3.88,1078 7.427,1079 3.874,1080 3.885,1081 3.927,1082 3.796,1083 3.783,1084 7.422,1085 3.779,1086 3.822,1087 3.892,1088 3.687,1089 3.656,1090 4.859,1091 3.652,1092 3.679,1093 3.737,1094 3.578,1095 3.493,1096 4.751,1097 3.504,1098 3.605,1099 3.682,1100 3.503,1101 3.466,1102 4.353,1103 3.441,1104 3.529,1105 3.598,1106 3.405,1107 3.403,1108 4.302,1109 3.383,1110 3.495,1111 3.53,1112 3.359,1113 3.359,1114 4.159,1115 3.347,1116 0.098,1117 0.087,1118 0.162,1119 0.095,1120 0.074,1121 4.583,1122 0.094,1123 4.087,1124 0.042,1125 7.625,1126 0.296,1127 4.479,1128 0.073,1129 3.497,1130 4.425,1131 1.985,1132 13.891,1133 3.43,1134 1.932,1135 1.902,1136 2.092,1137 2.066,1138 1.475,1139 2.073,1140 1.919,1141 1.899,1142 2.053,1143 2.01,1144 1.353,1145 2.026,1146 1.889,1147 1.846,1148 2.03,1149 1.987,1150 1.24,1151 2.006,1152 1.792,1153 1.723,1154 2.007,1155 1.97,1156 1.215,1157 1.99,1158 1.64,1159 1.579,1160 1.935,1161 1.85,1162 1.168,1163 1.865,1164 1.638,1165 1.567,1166 1.882,1167 1.821,1168 1.136,1169 1.859,1170 1.539,1171 1.533,1172 1.729,1173 1.726,1174 0.91,1175 1.738,1176 1.509,1177 1.451,1178 1.617,1179 1.663,1180 0.828,1181 1.661,1182 4.554,1183 5.838,1184 2.398,1185 7.317,1186 4.727,1187 8.888,1188 6.843,1189 10.512,1191 4.429,1197 13.479,1198 9.337,1201 -0.735,1202 2.495,1203 -1.042,1206 55.533,1207 135.066,1208 297.459,1209 417.089,1210 509.992,1211 530.622,1212 530.622,1213 135.872,1214 7.787,1215 90.54,1216 118.78,1217 23,1218 12.829,1219 4.322,1220 3.585,1221 84.715,1222 235,1223 280,1224 0.163,1225 347.544,1226 611.7,1227 839.767,1228 25674,1230 31.202,1231 0.709,1232 0.622,1233 31.556,1234 27.354,1235 21.436,1236 0.456,1237 0.371,1238 16.542,1239 20.492,1240 16.067,1241 13.429,1242 21.844,1243 17.415,1244 18.189,1245 0.293,1246 0.214,1247 18.832,1248 13.238,1249 14.981,1250 0.19,1251 0.124,1252 15.837,1253 9.769,1254 11.875,1255 0.121,1256 0.071,1257 12.717,1258 6.987,1259 9.717,1260 0.081,1261 0.042,1262 10.479,1263 5.076,1264 0.26,1265 136.285,1266 0.179,1267 38.981,1268 0.44,1269 218,1270 534.711,1271 258.509,1272 541.186,1273 731.9,1274 506,1275 250,1276 508.68,1277 289.688,1278 532.056,1279 778.25,1280 503,1281 6.7}
{0 CHEMBL237304,1 1.502,2 13.875,3 5.048,4 25.479,5 160.97,6 7.01,7 0.364,8 4.451,9 4.579,10 3.993,11 4.027,12 5.429,13 3.964,14 5.043,15 5.228,16 4.374,17 4.463,18 5.982,19 4.36,20 5.385,21 5.628,22 4.431,23 4.588,24 6.295,25 4.453,26 5.426,27 5.681,28 4.365,29 4.531,30 6.399,31 4.41,32 5.366,33 5.6,34 4.453,35 4.505,36 6.538,37 4.409,38 5.395,39 5.615,40 4.534,41 4.577,42 6.492,43 4.482,44 5.462,45 5.689,46 4.493,47 4.65,48 6.496,49 4.542,50 5.48,51 5.696,52 4.509,53 4.711,54 6.544,55 4.592,56 0.063,57 1.162,58 18.623,59 8.012,60 9.467,61 10.772,62 0.335,63 1.974,64 36.055,65 14.058,66 36.33,67 19.258,68 0.605,69 2.525,70 55.353,71 18.867,72 66.739,73 26.174,74 0.639,75 2.493,76 57.787,77 18.554,78 84.236,79 25.465,80 0.858,81 2.35,82 53.461,83 17.266,84 153.611,85 23.543,86 0.759,87 2.508,88 58.243,89 18.102,90 105.997,91 24.083,92 0.698,93 2.641,94 60.507,95 19.942,96 101.641,97 26.443,98 0.717,99 2.71,100 58.804,101 20.996,102 125.038,103 28.244,104 10,105 60,106 0.229,107 0.5,108 0.663,109 0.813,110 0.852,111 0.852,112 3.718,113 1.057,114 -4.46,115 -4.39,116 -4.14,119 40,121 9,125 4,126 1,127 1,132 10,133 2,141 2,144 3,155 17,158 3,160 3,162 4,163 20,166 5,168 2,169 2,170 8,173 13,176 8,179 1,181 7,183 5,185 2,186 8,189 2,191 9,193 7,195 1,196 11,198 1,199 1,200 12,203 11,206 9,209 1,211 6,214 17,217 1,218 8,221 1,223 6,224 24,226 1,227 8,231 7,234 22,238 3670,239 27.404,240 27.404,241 27.404,242 27.404,243 27.404,244 25.178,245 25.179,246 16.555,247 27.781,248 21.742,249 21.742,250 21.742,251 21.742,252 21.742,253 18.293,254 28.492,255 7.881,256 22.353,257 4.82,258 3.039,259 1.964,260 0.983,261 0.725,262 0.725,263 4.42,267 1,268 1213,269 4.95,271 254.88,272 461.674,274 209.725,277 2.031,278 43.905,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 85,289 555,290 4.583,291 4.087,292 7.625,293 4.479,294 3.497,295 4.425,296 1.985,297 13.891,298 3.43,299 4.469,300 3.72,301 6.335,302 3.968,303 3.026,304 3.685,305 1.925,306 9.735,307 2.849,308 4.026,309 3.532,310 6.074,311 3.813,312 2.823,313 3.467,314 1.058,315 8.815,316 2.789,317 3.829,318 2.891,319 5.792,320 3.472,321 2.542,322 3.213,323 0.8,324 7.733,325 2.413,326 3.776,327 2.848,328 5.352,329 3.434,330 2.441,331 3.043,332 0.343,333 6.998,334 2.395,335 3.541,336 2.76,337 5.294,338 3.4,339 2.402,340 2.541,341 0.14,342 6.767,343 2.357,344 3.098,345 2.688,346 4.892,347 2.839,348 1.845,349 2.298,351 4.871,352 1.826,353 3.032,354 2.01,355 4.414,356 2.633,357 1.649,358 2.225,360 4.312,361 1.618,362 2.984,363 1.782,364 4.204,365 2.524,366 1.532,367 2.115,369 3.653,370 1.517,371 2.922,372 1.737,373 4.135,374 2.468,375 1.526,376 2.048,378 3.603,379 1.466,380 2.634,381 1.598,382 3.732,383 2.464,384 1.467,385 1.637,387 3.107,388 1.413,389 2.601,390 1.532,391 3.661,392 2.39,393 1.397,394 1.589,396 3.05,397 1.374,398 2.5,399 1.491,400 3.64,401 2.156,402 1.18,403 1.5,405 2.763,406 1.145,407 2.463,408 1.314,409 3.575,410 2,411 1.022,412 1.405,414 2.533,415 1,416 2.32,417 1.309,418 3.518,419 2,420 1,421 1.232,423 2.23,424 1,425 19.433,426 0.486,427 0.822,428 0.021,429 43.5,430 1.088,431 18.5,432 0.463,433 25,434 0.625,435 46.718,436 1.168,437 44.167,438 0.552,439 36.153,440 0.904,441 7.804,442 0.195,443 11.717,444 0.293,445 0.051,446 0.026,447 0.226,450 0.698,451 1.253,452 0.835,453 1.03,454 0.515,455 1.005,456 0.645,457 1.181,458 0.927,459 1.052,460 0.502,461 1.073,462 0.892,463 1.05,464 0.977,465 1.041,466 0.846,467 1.018,468 1.469,469 0.962,470 1.001,471 0.908,472 1.481,473 0.901,474 1.427,475 0.996,476 0.895,477 0.862,478 1.5,479 0.866,480 1.613,481 1.06,482 1.121,483 1.025,484 1.701,485 0.944,486 1.654,487 0.952,488 1.144,489 0.964,490 1.72,491 0.939,492 1.328,493 1.057,494 1.08,495 1.035,496 1.409,497 1.062,498 7.5,499 0.298,500 4.222,501 2.451,502 2.406,503 1.198,504 1.008,505 0.852,506 0.378,507 0.368,508 26992,509 58730,510 2.116,511 50,512 6,513 19,516 3,518 10,519 2,520 1.806,521 2.025,522 3.733,523 0.707,527 120.122,528 1.502,529 3.283,530 4.358,531 5.339,532 5.597,533 5.597,534 3.19,535 4.503,536 5.289,537 3.94,538 3073.57,539 9.376,540 53774.1,544 505.754,545 1.28,546 5.269,547 0.17,548 0.006,549 0.07,550 0.042,551 0.042,552 0.019,553 0.015,554 0.013,555 0.006,556 0.006,557 0.389,558 0.17,559 0.63,560 0.413,561 225.426,562 -0.029,563 -0.038,564 0.062,565 0.043,566 -0.001,567 0.043,568 0.117,569 -0.04,570 0.02,571 -0.02,572 0.067,573 -0.058,574 0.083,575 -0.017,576 0.026,577 -0.054,578 0.023,579 -0.038,580 -0.109,581 0.027,582 0.005,583 0.026,584 -0.093,585 0.041,586 0.126,587 -0.001,588 0.098,589 0.065,590 0.182,591 0.07,592 -0.05,593 -0.011,594 -0.004,595 -0.019,596 -0.056,597 0.003,598 -0.185,599 0.071,600 -0.086,601 0.023,602 -0.142,603 0.015,604 -0.058,605 -0.043,606 -0.112,607 -0.057,608 -0.013,609 -0.086,610 2.281,611 6.959,612 0.65,613 51.213,614 0.992,615 1.125,616 3.23,617 10.433,618 0.659,619 3.807,620 4.111,621 4.369,622 4.595,623 4.762,624 4.779,625 4.883,626 5.024,627 5.043,628 5.081,629 8.383,630 0.611,631 560.83,632 3.807,633 5.342,634 6.184,635 7.052,636 7.913,637 8.787,638 9.658,639 10.537,640 11.413,641 12.296,642 5,645 1,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 80,672 19,673 2,674 44,676 84,677 32,678 14,679 3,680 9,681 1,683 5,684 6,691 7,692 1,694 10,696 17,697 15,698 1,699 3,703 3,707 3,713 40,714 7,715 3,716 8,717 1,720 4,721 0.8,722 3,730 1,732 2,733 3,735 1,742 2,749 1,753 4,755 1,761 40,766 13,767 3,770 1,771 1,772 1,774 1,778 3.8,781 3,785 19.75,786 13.783,787 8.875,788 5.307,789 2.244,790 1.289,791 0.974,792 10.009,793 10.023,794 4.025,795 4.53,796 5.028,797 5.517,798 5.968,799 6.138,800 6.421,801 6.788,802 6.72,803 6.807,804 1,805 59,806 15.076,807 6.589,808 7.652,809 29.345,810 25.004,811 2.152,812 86.083,815 435.531,816 179.25,817 57.157,819 75.435,821 31.278,822 147.973,823 510.966,824 57.157,826 85.266,827 94.762,828 89.549,829 8.883,830 2.104,831 466.808,833 435.531,834 205.129,835 75.435,836 31.278,838 294.278,839 216.688,841 88.39,842 116.739,844 31.278,845 435.531,846 132.591,847 179.25,850 435.531,851 84.488,852 97.887,853 54.032,854 75.435,855 435.531,856 132.591,857 179.25,859 0.573,860 0.336,861 0.18,862 0.094,863 27,864 11,865 0.131,866 11,867 1,868 1.077,869 5.001,870 396.055,871 0.077,872 26,873 200.877,874 1,878 28.914,879 13.846,880 7.584,881 2.059,882 132.591,883 19.554,887 1.434,888 1.572,890 54.032,891 747.373,892 55,896 40.766,900 -0.681,902 79.37,903 90.015,904 0.238,905 0.519,906 0.689,907 0.845,908 0.885,909 0.885,910 5.268,911 1.649,912 6.163,913 4.871,914 4.796,915 5.218,916 2.856,917 6.98,918 4.741,919 6.435,920 1.532,921 7.727,922 4.312,923 4.369,924 4.945,925 2.221,926 8.155,927 4.288,928 7.728,929 1.526,930 9.411,931 3.653,932 6.418,933 7.304,934 3.767,935 11.231,936 6.306,937 9.061,938 1.467,939 11.178,940 3.603,941 6.909,942 7.923,943 3.792,944 13.371,945 6.767,946 10.434,947 1.397,948 13.003,949 3.107,950 8.399,951 9.754,952 4.92,953 16.063,954 8.233,955 11.834,956 1.18,957 14.873,958 3.05,959 9.298,960 10.79,961 5.25,962 18.536,963 9.107,964 13.256,965 1.022,966 16.775,967 2.763,968 10.592,969 12.413,970 6.171,971 21.16,972 10.381,973 3.497,974 1,975 18.704,976 2.533,977 11.674,978 13.66,979 6.658,980 23.738,981 11.441,982 3.026,983 13.891,984 20.653,985 2.23,986 12.907,987 15.195,988 7.469,989 26.359,990 12.656,991 2.823,992 9.735,993 22.619,994 4.425,995 14.07,996 16.553,997 8.038,998 28.97,999 13.8,1000 2.542,1001 8.815,1002 24.597,1003 3.685,1004 15.29,1005 18.051,1006 8.789,1007 31.595,1008 15.004,1009 2.441,1010 7.733,1011 26.586,1012 3.467,1013 16.49,1014 19.468,1015 9.404,1016 34.219,1017 16.188,1018 2.402,1019 6.998,1020 28.583,1021 3.213,1022 17.714,1023 20.952,1024 10.121,1025 36.846,1026 17.396,1027 1.845,1028 6.767,1029 30.587,1030 3.043,1031 18.933,1032 22.4,1033 10.762,1034 39.474,1035 18.599,1036 25136,1037 37358,1038 29.989,1039 52.739,1040 65.407,1041 67.26,1042 66.877,1043 64.796,1044 64.834,1045 79.624,1046 12.502,1047 181.967,1048 63.147,1049 5.583,1050 6.087,1051 7.427,1052 5.594,1053 5.497,1054 7.425,1055 3.48,1056 21.327,1057 5.43,1058 14.269,1059 1.487,1060 1.529,1061 1.52,1062 1.473,1063 1.473,1064 1.81,1065 0.284,1066 4.136,1067 1.435,1068 4.09,1069 4.102,1070 4.335,1071 4.108,1072 7.436,1073 4.055,1074 3.964,1075 4.001,1076 3.894,1077 3.88,1078 7.427,1079 3.874,1080 3.885,1081 3.931,1082 3.796,1083 3.783,1084 7.422,1085 3.779,1086 3.86,1087 3.923,1088 3.731,1089 3.695,1090 4.858,1091 3.693,1092 3.681,1093 3.737,1094 3.586,1095 3.492,1096 4.751,1097 3.506,1098 3.517,1099 3.578,1100 3.503,1101 3.403,1102 4.369,1103 3.383,1104 3.482,1105 3.522,1106 3.347,1107 3.335,1108 4.312,1109 3.324,1110 3.295,1111 3.335,1112 3.227,1113 3.133,1114 4.155,1115 3.134,1116 0.104,1117 0.093,1118 0.173,1119 0.102,1120 0.079,1121 4.583,1122 0.101,1123 4.087,1124 0.045,1125 7.625,1126 0.316,1127 4.479,1128 0.078,1129 3.497,1130 4.425,1131 1.985,1132 13.891,1133 3.43,1134 1.932,1135 1.902,1136 2.092,1137 2.066,1138 1.475,1139 2.073,1140 1.919,1141 1.899,1142 2.053,1143 2.007,1144 1.261,1145 2.024,1146 1.889,1147 1.846,1148 2.007,1149 1.97,1150 1.224,1151 1.99,1152 1.7,1153 1.633,1154 1.93,1155 1.915,1156 1.211,1157 1.924,1158 1.577,1159 1.534,1160 1.86,1161 1.779,1162 1.136,1163 1.793,1164 1.558,1165 1.507,1166 1.74,1167 1.751,1168 0.941,1169 1.771,1170 1.529,1171 1.498,1172 1.624,1173 1.673,1174 0.894,1175 1.668,1176 1.343,1177 1.264,1178 1.574,1179 1.588,1180 0.825,1181 1.6,1182 4.489,1183 5.796,1184 3.045,1185 7.292,1186 5.283,1187 8.875,1188 7.286,1189 10.506,1197 11.446,1198 9.255,1201 -0.721,1202 2.432,1203 -1.031,1206 48.899,1207 120.122,1208 262.669,1209 348.661,1210 427.125,1211 447.754,1212 447.754,1213 100.77,1214 7.779,1215 90.54,1216 118.78,1217 28,1218 12.831,1219 4.322,1220 3.585,1221 63.483,1222 195,1223 220,1224 0.149,1225 301.781,1226 530.14,1227 728.106,1228 25604,1230 27.788,1231 0.695,1232 0.598,1233 28.142,1234 23.94,1235 19.522,1236 0.444,1237 0.352,1238 14.628,1239 18.578,1240 14.288,1241 11.791,1242 19.93,1243 15.501,1244 17.189,1245 0.286,1246 0.204,1247 17.832,1248 12.238,1249 14.524,1250 0.186,1251 0.119,1252 15.38,1253 9.312,1254 11.756,1255 0.12,1256 0.07,1257 12.597,1258 6.894,1259 9.14,1260 0.079,1261 0.04,1262 9.901,1263 4.628,1264 0.235,1265 124.8,1266 0.183,1267 36.005,1268 0.408,1269 208,1270 524.711,1271 248.509,1272 530.145,1273 718.44,1274 496,1275 242,1276 500.68,1277 281.688,1278 523.128,1279 767.45,1280 495,1281 6}
{0 CHEMBL242619,1 1.548,2 18.479,3 3.82,4 14.592,5 187.686,6 7.094,7 0.302,8 4.632,9 4.757,10 4.179,11 4.174,12 5.621,13 4.126,14 5.24,15 5.422,16 4.563,17 4.615,18 6.192,19 4.531,20 5.575,21 5.808,22 4.631,23 4.766,24 6.505,25 4.647,26 5.642,27 5.89,28 4.562,29 4.73,30 6.63,31 4.613,32 5.603,33 5.847,34 4.614,35 4.708,36 6.716,37 4.604,38 5.609,39 5.842,40 4.688,41 4.77,42 6.662,43 4.661,44 5.686,45 5.934,46 4.611,47 4.778,48 6.683,49 4.669,50 5.601,51 5.825,52 4.609,53 4.769,54 6.686,55 4.666,56 0.043,57 1.395,58 21.878,59 9.391,60 10.759,61 12.516,62 0.477,63 2.356,64 43.622,65 16.235,66 48.112,67 22.187,68 0.782,69 3.004,70 65.974,71 21.88,72 87.313,73 30.428,74 0.877,75 3.011,76 70.951,77 22.391,78 120.734,79 31.098,80 1.176,81 2.885,82 67.739,83 21.391,84 186.673,85 29.776,86 0.855,87 3.044,88 70.344,89 22.537,90 135.338,91 31.009,92 1.006,93 3.131,94 75.323,95 23.53,96 133.53,97 32.35,98 0.984,99 2.931,100 65.551,101 21.978,102 153.447,103 30.092,104 17,105 73,106 0.227,107 0.506,108 0.702,109 0.833,110 0.848,111 0.848,112 3.894,113 1.031,114 -3.48,115 -3.46,116 -3.3,119 38.9,121 8,122 1,125 8,126 1,127 1,132 10,133 2,141 2,144 4,155 17,157 1,158 5,160 3,162 4,163 20,165 1,166 8,168 2,169 2,170 8,173 11,176 8,179 2,181 6,183 3,185 4,186 9,189 2,191 8,193 7,195 2,196 12,198 1,199 1,200 10,203 11,206 11,209 3,211 6,214 15,217 2,218 8,221 1,223 5,224 24,226 3,227 10,231 6,234 16,238 6562,239 32.783,240 32.783,241 32.783,242 32.783,243 32.783,244 30.426,245 32.251,246 19.592,247 33.393,248 26.17,249 26.17,250 26.17,251 26.17,252 26.17,253 22.448,254 34.294,255 9.319,256 27.097,257 5.021,258 3.123,259 1.793,260 0.901,261 0.8,262 0.8,263 4.603,267 1,268 1954,269 5.339,271 306.039,272 800.769,274 268.062,277 2.644,278 59.886,280 0.75,281 0.33,282 0.67,283 0.9,284 1,285 0.5,287 0.59,288 103.5,289 887,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.733,301 6.335,302 3.969,303 3.026,304 3.69,305 1.94,306 9.735,307 2.849,308 4.028,309 3.705,310 6.075,311 3.82,312 2.844,313 3.467,314 1.925,315 8.816,316 2.792,317 3.961,318 3.532,319 6.029,320 3.78,321 2.814,322 3.214,323 1.058,324 8.598,325 2.695,326 3.83,327 2.921,328 5.792,329 3.577,330 2.605,331 3.117,332 0.86,333 7.733,334 2.531,335 3.775,336 2.891,337 5.565,338 3.435,339 2.442,340 3.036,341 0.8,342 7.629,343 2.412,344 3.642,345 2.764,346 5.294,347 3.401,348 2.402,349 2.653,350 0.555,351 6.768,352 2.392,353 3.243,354 2.693,355 5.034,356 3.152,357 2.202,358 2.298,359 0.343,360 6.076,361 2.084,362 3.099,363 2.558,364 4.897,365 2.816,366 1.824,367 2.25,368 0.14,369 4.886,370 1.8,371 3.032,372 2.203,373 4.414,374 2.583,375 1.608,376 2.225,378 4.312,379 1.562,380 2.983,381 2.007,382 4.252,383 2.516,384 1.532,385 2.114,387 3.972,388 1.51,389 2.921,390 1.894,391 4.198,392 2.475,393 1.513,394 2.05,396 3.574,397 1.459,398 2.665,399 1.782,400 4.068,401 2.457,402 1.492,403 1.651,405 3.416,406 1.398,407 2.585,408 1.635,409 3.626,410 2.31,411 1.396,412 1.559,414 3.025,415 1.285,416 2.5,417 1.532,418 3.618,419 2.257,420 1.299,421 1.5,423 2.925,424 1.211,425 23,426 0.479,427 1.048,428 0.022,429 51,430 1.063,431 20,432 0.417,433 31,434 0.646,435 58.974,436 1.229,437 53.8,438 0.566,439 45.985,440 0.958,441 9.428,442 0.196,443 13.953,444 0.291,445 0.058,446 0.022,447 0.252,450 0.711,451 1.355,452 0.818,453 1.1,454 0.514,455 1.033,456 0.811,457 1.159,458 0.942,459 1.024,460 0.542,461 1.044,462 0.961,463 1.06,464 1.019,465 1.055,466 0.886,467 1.047,468 1.292,469 1.007,470 1.03,471 0.957,472 1.441,473 0.966,474 1.194,475 0.928,476 0.906,477 0.835,478 1.325,479 0.872,480 1.023,481 1.111,482 1.029,483 1.081,484 1.089,485 1,486 1.351,487 0.91,488 1.053,489 0.913,490 1.402,491 0.904,492 1.332,493 0.958,494 1,495 0.907,496 1.444,497 0.978,498 9.5,499 0.388,500 5.333,501 2.917,502 2.797,503 1.322,504 1.242,505 0.998,506 0.519,507 0.511,508 49093,509 113300,510 2.12,511 49.5,512 4,513 27,516 3,517 2,518 11,520 1.844,521 2.021,522 4.102,523 0.665,527 147.102,528 1.548,529 3.447,530 4.776,531 5.669,532 5.77,533 5.77,534 3.574,535 4.861,536 5.552,537 4.329,538 4882.93,539 9.874,540 101352,544 624.136,545 1.322,546 5.529,547 0.179,548 0.006,549 0.073,550 0.04,551 0.041,552 0.018,553 0.016,554 0.013,555 0.007,556 0.007,557 0.401,558 0.33,559 0.5,560 0.415,561 289.72,562 -0.027,563 -0.108,564 0.066,565 0.003,567 0.025,568 0.046,569 -0.001,570 0.005,571 0.012,572 0.041,573 -0.035,574 0.003,575 -0.01,576 -0.024,577 -0.062,578 -0.015,579 -0.064,580 -0.105,581 -0.019,582 -0.037,583 -0.015,584 -0.101,585 -0.012,586 0.066,587 0.053,588 0.073,589 0.094,590 0.107,591 0.077,592 0.05,593 -0.078,594 0.028,595 -0.065,596 0.075,597 -0.019,598 -0.114,599 0.076,600 -0.035,601 0.039,602 -0.095,603 0.05,604 -0.089,605 0.042,606 -0.064,607 0.034,608 -0.045,609 -0.015,610 2.342,611 6.979,612 0.667,613 75.13,614 0.998,615 1.128,616 2.251,617 5.067,618 0.652,619 3.989,620 4.304,621 4.564,622 4.787,623 4.97,624 4.99,625 5.088,626 5.226,627 5.242,628 5.278,629 10.579,630 0.61,631 673.96,632 3.989,633 5.533,634 6.378,635 7.248,636 8.109,637 8.983,638 9.852,639 10.729,640 11.603,641 12.483,642 5.3,645 1,648 4,653 2,654 10,658 1,659 2,661 16,662 1,670 95,672 20,673 2,674 53,676 100,677 37,678 14,679 3,680 9,681 1,683 6,684 7,691 6,692 2,694 9,696 18,697 19,698 2,699 4,703 4,707 4,713 47,714 10,715 3,716 11,717 1,720 5,721 0.833,722 5,732 2,733 4,735 1,742 2,743 1,749 1,752 1,753 5,755 1,761 48,766 16,767 3,768 1,770 2,771 2,772 1,774 1,778 5.3,781 4,782 1,785 23.75,786 16.4,787 10.569,788 6.14,789 2.003,790 1.24,791 0.968,792 12.054,793 10.341,794 4.19,795 4.68,796 5.151,797 5.609,798 6.042,799 6.213,800 6.475,801 6.83,802 6.771,803 6.854,804 1,805 73,806 18.12,807 7.975,808 7.71,809 35.055,810 29.959,811 2.21,812 106.083,815 517.928,816 194.817,817 60.281,819 111.58,821 31.278,822 163.539,823 629.508,824 60.281,826 99.252,827 94.762,828 130.398,829 8.883,830 2.104,831 549.206,833 517.928,834 223.82,835 111.58,836 31.278,838 388.446,839 230.062,840 11,841 102.376,842 121.444,844 31.278,845 517.928,846 171.86,847 194.817,850 517.928,851 100.054,852 101.011,853 54.032,854 111.58,855 517.928,856 171.86,857 194.817,859 0.578,860 0.338,861 0.178,862 0.095,863 33,864 14,865 0.12,866 12,867 1,868 1.063,869 5.701,870 502.337,871 0.063,872 32,873 252.078,874 1,878 34.848,879 16.603,880 9.175,881 2.002,882 171.86,883 19.235,887 1.403,888 1.46,890 54.032,891 884.606,892 65,896 54.031,900 -0.94,902 94.778,903 107.178,904 0.236,905 0.525,906 0.727,907 0.863,908 0.878,909 0.878,910 5.447,911 2.202,912 6.361,913 6.768,914 4.99,915 5.368,916 3.241,917 7.174,918 4.926,919 6.608,920 1.824,921 7.924,922 6.076,923 4.575,924 5.103,925 2.604,926 8.295,927 4.496,928 7.899,929 1.608,930 9.601,931 4.886,932 6.611,933 7.415,934 4.14,935 11.364,936 6.487,937 9.224,938 1.532,939 11.355,940 4.312,941 7.083,942 8.026,943 4.193,944 13.448,945 6.945,946 10.589,947 1.513,948 13.164,949 3.972,950 8.569,951 9.827,952 5.294,953 16.128,954 8.393,955 11.979,956 1.492,957 15.015,958 3.574,959 9.443,960 10.852,961 5.646,962 18.573,963 9.251,964 13.391,965 1.396,966 16.899,967 3.416,968 10.731,969 12.457,970 6.545,971 21.188,972 10.51,973 3.503,974 1.299,975 18.809,976 3.025,977 11.791,978 13.696,979 7.045,980 23.755,981 11.554,982 3.026,983 13.895,984 20.742,985 2.925,986 13.017,987 15.22,988 7.84,989 26.371,990 12.756,991 2.844,992 9.735,993 22.693,994 4.425,995 14.164,996 16.573,997 8.417,998 28.98,999 13.888,1000 2.814,1001 8.816,1002 24.659,1003 3.69,1004 15.377,1005 18.065,1006 9.156,1007 31.602,1008 15.082,1009 2.605,1010 8.598,1011 26.637,1012 3.467,1013 16.567,1014 19.479,1015 9.774,1016 34.225,1017 16.257,1018 2.442,1019 7.733,1020 28.625,1021 3.214,1022 17.784,1023 20.96,1024 10.483,1025 36.852,1026 17.459,1027 2.402,1028 7.629,1029 30.622,1030 3.117,1031 18.997,1032 22.406,1033 11.125,1034 39.48,1035 18.657,1036 45202,1037 68972,1038 36.057,1039 61.938,1040 79.404,1041 81.688,1042 80.939,1043 78.526,1044 78.579,1045 94.421,1046 19.214,1047 222.1,1048 76.076,1049 5.588,1050 6.089,1051 7.429,1052 5.604,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 19.058,1059 1.498,1060 1.541,1061 1.527,1062 1.482,1063 1.483,1064 1.782,1065 0.363,1066 4.191,1067 1.435,1068 4.094,1069 4.108,1070 4.335,1071 4.109,1072 7.438,1073 4.057,1074 3.973,1075 4.011,1076 3.903,1077 3.882,1078 7.427,1079 3.877,1080 3.904,1081 3.961,1082 3.803,1083 3.79,1084 7.426,1085 3.787,1086 3.889,1087 3.928,1088 3.8,1089 3.741,1090 7.422,1091 3.744,1092 3.779,1093 3.83,1094 3.666,1095 3.597,1096 4.859,1097 3.607,1098 3.673,1099 3.73,1100 3.577,1101 3.476,1102 4.752,1103 3.492,1104 3.511,1105 3.569,1106 3.499,1107 3.396,1108 4.615,1109 3.373,1110 3.483,1111 3.509,1112 3.388,1113 3.324,1114 4.344,1115 3.327,1116 0.087,1117 0.077,1118 0.144,1119 0.085,1120 0.066,1121 4.588,1122 0.083,1123 4.089,1124 0.037,1125 7.627,1126 0.262,1127 4.486,1128 0.065,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.902,1136 2.062,1137 2.062,1138 1.437,1139 2.063,1140 1.919,1141 1.897,1142 2.056,1143 2.028,1144 1.266,1145 2.036,1146 1.859,1147 1.802,1148 2.007,1149 1.972,1150 1.25,1151 1.991,1152 1.742,1153 1.699,1154 1.947,1155 1.948,1156 1.211,1157 1.952,1158 1.723,1159 1.677,1160 1.863,1161 1.911,1162 1.191,1163 1.9,1164 1.602,1165 1.552,1166 1.86,1167 1.824,1168 1.135,1169 1.821,1170 1.577,1171 1.507,1172 1.811,1173 1.751,1174 1.074,1175 1.793,1176 1.49,1177 1.473,1178 1.672,1179 1.672,1180 0.884,1181 1.673,1182 4.673,1183 5.989,1184 3.045,1185 7.492,1186 5.352,1187 9.075,1188 7.424,1189 10.7,1197 11.376,1198 8.983,1199 5.483,1201 -0.19,1202 4.333,1203 -1.092,1206 57.931,1207 147.102,1208 327.44,1209 453.758,1210 538.527,1211 548.136,1212 548.136,1213 130.49,1214 8.338,1215 120.08,1216 148.32,1217 34,1218 13.021,1219 4.392,1220 3.7,1221 75.482,1222 291,1223 370,1224 0.115,1225 354.209,1226 630.22,1227 856.03,1228 58534,1230 33.349,1231 0.695,1232 0.592,1233 33.702,1234 28.402,1235 23.382,1236 0.441,1237 0.344,1238 17.262,1239 22.126,1240 16.893,1241 13.836,1242 23.79,1243 18.217,1244 20.83,1245 0.285,1246 0.198,1247 21.472,1248 14.47,1249 17.684,1250 0.186,1251 0.117,1252 18.54,1253 11.134,1254 14.265,1255 0.12,1256 0.068,1257 15.107,1258 8.121,1259 11.24,1260 0.079,1261 0.038,1262 12.002,1263 5.488,1264 0.186,1265 150.113,1266 0.167,1267 42.234,1268 0.301,1269 252,1270 685.827,1271 300.016,1272 672.467,1273 902.08,1274 630,1275 294,1276 620.77,1277 341.225,1278 640.171,1279 939.83,1280 605,1281 8.2}
{0 CHEMBL242624,1 1.548,2 18.542,3 3.563,4 12.695,5 187.624,6 7.094,7 0.302,8 4.632,9 4.757,10 4.179,11 4.174,12 5.62,13 4.126,14 5.24,15 5.422,16 4.565,17 4.613,18 6.193,19 4.529,20 5.577,21 5.812,22 4.639,23 4.764,24 6.508,25 4.649,26 5.632,27 5.873,28 4.569,29 4.748,30 6.619,31 4.633,32 5.635,33 5.878,34 4.613,35 4.737,36 6.736,37 4.621,38 5.638,39 5.882,40 4.654,41 4.751,42 6.644,43 4.637,44 5.625,45 5.867,46 4.592,47 4.739,48 6.674,49 4.636,50 5.571,51 5.794,52 4.594,53 4.77,54 6.65,55 4.66,56 0.043,57 1.395,58 21.878,59 9.391,60 10.805,61 12.516,62 0.469,63 2.358,64 43.605,65 16.211,66 47.742,67 22.176,68 0.842,69 3.008,70 66.313,71 21.549,72 88.995,73 30.174,74 0.808,75 3.018,76 69.72,77 22.367,78 113.894,79 30.892,80 1.112,81 2.951,82 69.569,83 22.817,84 192.767,85 31.472,86 0.912,87 3.035,88 73.509,89 22.892,90 125.38,91 31.376,92 1.042,93 2.98,94 70.858,95 21.982,96 146.931,97 30.362,98 0.86,99 2.899,100 62.847,101 22.056,102 143.085,103 30.253,104 17,105 73,106 0.227,107 0.506,108 0.701,109 0.833,110 0.848,111 0.848,112 3.894,113 1.033,114 -3.48,115 -3.46,116 -3.3,119 38.9,121 9,125 7,126 2,127 1,132 10,133 2,141 2,144 4,155 16,157 1,158 6,160 3,162 4,163 20,165 1,166 7,168 2,169 2,170 9,173 11,175 1,176 10,181 6,183 5,185 2,186 10,189 4,191 8,193 9,195 1,196 11,198 1,199 1,200 11,203 12,205 3,206 9,211 8,214 15,217 1,218 7,221 3,223 5,224 24,226 1,227 11,229 1,231 6,234 20,238 6576,239 32.835,240 32.835,241 32.835,242 32.835,243 32.835,244 30.479,245 36.215,246 19.633,247 33.451,248 26.158,249 26.158,250 26.158,251 26.158,252 26.158,253 22.436,254 46.73,255 9.306,256 27.109,257 5.021,258 3.126,259 1.799,260 0.901,261 0.8,262 0.8,263 4.603,267 1,268 1962,269 5.339,271 306.563,272 801.775,274 268.446,277 2.606,278 59.867,280 0.75,281 0.33,282 0.67,283 0.9,284 1,285 0.5,287 0.59,288 103.5,289 890,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.723,301 6.335,302 3.969,303 3.026,304 3.69,305 1.94,306 9.735,307 2.849,308 4.026,309 3.714,310 6.165,311 3.858,312 2.909,313 3.467,314 1.925,315 9.108,316 2.79,317 3.986,318 3.532,319 6.074,320 3.814,321 2.823,322 3.214,323 1.058,324 8.815,325 2.76,326 3.83,327 3.114,328 5.984,329 3.638,330 2.685,331 3.118,332 0.86,333 8.443,334 2.554,335 3.784,336 2.891,337 5.792,338 3.435,339 2.442,340 3.043,341 0.8,342 7.733,343 2.412,344 3.773,345 2.764,346 5.294,347 3.402,348 2.403,349 2.81,350 0.555,351 6.768,352 2.393,353 3.102,354 2.693,355 4.897,356 2.896,357 1.937,358 2.298,359 0.343,360 4.891,361 1.85,362 3.032,363 2.427,364 4.547,365 2.815,366 1.829,367 2.226,368 0.14,369 4.774,370 1.794,371 2.989,372 2.203,373 4.414,374 2.612,375 1.64,376 2.118,378 4.312,379 1.587,380 2.979,381 2.01,382 4.213,383 2.516,384 1.532,385 2.05,387 3.884,388 1.51,389 2.921,390 1.782,391 4.185,392 2.493,393 1.516,394 1.983,396 3.578,397 1.479,398 2.667,399 1.744,400 4.097,401 2.457,402 1.503,403 1.664,405 3.489,406 1.398,407 2.585,408 1.532,409 3.626,410 2.321,411 1.351,412 1.56,414 2.967,415 1.302,416 2.503,417 1.496,418 3.618,419 2.211,420 1.242,421 1.5,423 2.848,424 1.19,425 23,426 0.479,427 1.031,428 0.021,429 51,430 1.063,431 20,432 0.417,433 31,434 0.646,435 59.168,436 1.233,437 53.8,438 0.566,439 45.569,440 0.949,441 9.412,442 0.196,443 13.986,444 0.291,445 0.058,446 0.022,447 0.252,450 0.711,451 1.355,452 0.818,453 1.1,454 0.515,455 1.033,456 0.805,457 1.187,458 0.939,459 1.037,460 0.542,461 1.052,462 0.976,463 1.029,464 1.009,465 1.011,466 0.885,467 1.008,468 1.312,469 1.014,470 1.065,471 0.985,472 1.469,473 1,474 1.14,475 0.968,476 0.912,477 0.904,478 1.318,479 0.933,480 1.212,481 1.031,482 1.026,483 0.999,484 1.24,485 0.933,486 1.302,487 0.931,488 1.061,489 0.912,490 1.33,491 0.901,492 1.113,493 0.987,494 0.981,495 0.971,496 1.312,497 1.031,498 9,499 0.35,500 5.778,501 2.917,502 2.637,503 1.447,504 1.242,505 0.934,506 0.498,507 0.412,508 49569,509 115272,510 2.12,511 49.5,512 4,513 26,516 3,517 2,518 8,519 4,520 1.844,521 2.021,522 4.107,523 0.665,527 147.102,528 1.548,529 3.444,530 4.771,531 5.669,532 5.77,533 5.77,534 3.56,535 4.877,536 5.553,537 4.338,538 4893.41,539 9.872,540 102115,544 624.136,545 1.322,546 5.529,547 0.17,548 0.006,549 0.079,550 0.039,551 0.038,552 0.02,553 0.017,554 0.013,555 0.007,556 0.006,557 0.394,558 0.33,559 0.5,560 0.415,561 290.127,562 -0.027,563 -0.108,564 0.066,565 0.003,567 0.025,568 0.051,569 -0.029,570 0.008,571 -0.001,572 0.042,573 -0.042,574 0.005,575 0.025,576 -0.01,577 -0.026,578 -0.012,579 -0.031,580 -0.143,581 -0.01,582 -0.077,583 -0.034,584 -0.124,585 -0.04,586 0.074,587 -0.004,588 0.057,589 0.036,590 0.102,591 0.029,592 -0.034,593 -0.034,594 0.043,595 -0.001,596 -0.018,597 0.036,598 -0.067,599 0.072,600 -0.036,601 0.047,602 -0.019,603 0.053,604 -0.025,605 0.027,606 -0.062,607 -0.013,608 -0.011,609 -0.05,610 2.329,611 6.968,612 0.667,613 74.167,614 0.998,615 1.128,616 2.251,617 5.067,618 0.652,619 3.989,620 4.304,621 4.575,622 4.796,623 4.977,624 5.004,625 5.112,626 5.215,627 5.22,628 5.242,629 10.663,630 0.61,631 673.96,632 3.989,633 5.533,634 6.382,635 7.252,636 8.117,637 8.992,638 9.864,639 10.743,640 11.62,641 12.501,642 5.3,645 1,648 4,653 2,654 10,658 1,659 2,661 16,662 1,670 95,672 20,673 2,674 53,676 100,677 37,678 14,679 3,680 9,681 1,683 6,684 7,691 7,692 1,694 11,696 18,697 19,698 1,699 4,703 4,707 4,713 47,714 10,715 3,716 11,717 1,720 5,721 0.833,722 5,732 2,733 4,735 1,742 2,743 1,749 1,752 1,753 5,755 1,761 48,766 16,767 3,768 1,770 2,771 2,772 1,774 1,778 5.3,781 4,782 1,785 23.75,786 16.4,787 10.597,788 6.19,789 2.005,790 1.241,791 0.967,792 12.054,793 10.331,794 4.19,795 4.68,796 5.157,797 5.613,798 6.044,799 6.211,800 6.486,801 6.828,802 6.76,803 6.841,804 1,805 74,806 18.116,807 7.968,808 7.71,809 35.055,810 29.954,811 2.21,812 106.083,815 517.928,816 195.246,817 60.281,819 111.58,821 31.278,822 163.968,823 629.508,824 60.281,826 99.681,827 94.762,828 130.398,829 8.883,830 2.104,831 549.206,833 517.928,834 224.249,835 111.58,836 31.278,838 376.675,839 241.833,840 11,841 102.805,842 121.444,844 31.278,845 517.928,846 171.86,847 195.246,850 517.928,851 100.483,852 101.011,853 54.032,854 111.58,855 517.928,856 171.86,857 195.246,859 0.577,860 0.341,861 0.18,862 0.095,863 33,864 14,865 0.12,866 12,867 1,868 1.063,869 5.705,870 501.398,871 0.063,872 32,873 249.323,874 1,878 34.848,879 16.603,880 8.979,881 2.009,882 171.86,883 19.287,887 1.407,888 1.48,890 54.032,891 885.035,892 65,896 53.91,900 -0.778,902 94.778,903 107.178,904 0.236,905 0.524,906 0.726,907 0.863,908 0.878,909 0.878,910 5.447,911 1.937,912 6.365,913 6.768,914 4.99,915 5.368,916 3.241,917 7.185,918 4.925,919 6.608,920 1.829,921 7.933,922 4.891,923 4.575,924 5.103,925 2.604,926 8.321,927 4.489,928 7.9,929 1.64,930 9.617,931 4.774,932 6.616,933 7.417,934 4.14,935 11.394,936 6.487,937 9.228,938 1.532,939 11.378,940 4.312,941 7.099,942 8.032,943 4.193,944 13.482,945 6.95,946 10.595,947 1.516,948 13.193,949 3.884,950 8.586,951 9.832,952 5.294,953 16.159,954 8.4,955 11.989,956 1.503,957 15.049,958 3.578,959 9.469,960 10.858,961 5.646,962 18.597,963 9.264,964 13.402,965 1.351,966 16.936,967 3.489,968 10.757,969 12.462,970 6.545,971 21.207,972 10.523,973 3.503,974 1.242,975 18.848,976 2.967,977 11.821,978 13.701,979 7.045,980 23.769,981 11.569,982 3.026,983 13.895,984 20.78,985 2.848,986 13.045,987 15.223,988 7.84,989 26.381,990 12.771,991 2.909,992 9.735,993 22.729,994 4.425,995 14.193,996 16.576,997 8.417,998 28.986,999 13.903,1000 2.823,1001 9.108,1002 24.692,1003 3.69,1004 15.404,1005 18.067,1006 9.156,1007 31.607,1008 15.096,1009 2.685,1010 8.815,1011 26.667,1012 3.467,1013 16.592,1014 19.48,1015 9.774,1016 34.228,1017 16.27,1018 2.442,1019 8.443,1020 28.652,1021 3.214,1022 17.807,1023 20.961,1024 10.483,1025 36.854,1026 17.47,1027 2.403,1028 7.733,1029 30.645,1030 3.118,1031 19.018,1032 22.407,1033 11.125,1034 39.481,1035 18.668,1036 45593,1037 69801,1038 36.057,1039 61.938,1040 79.614,1041 81.87,1042 81.172,1043 78.785,1044 78.778,1045 94.612,1046 19.214,1047 223.11,1048 76.235,1049 5.588,1050 6.089,1051 7.429,1052 5.603,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 19.134,1059 1.502,1060 1.545,1061 1.532,1062 1.487,1063 1.486,1064 1.785,1065 0.363,1066 4.21,1067 1.438,1068 4.094,1069 4.108,1070 4.335,1071 4.109,1072 7.437,1073 4.057,1074 3.975,1075 4.013,1076 3.904,1077 3.883,1078 7.427,1079 3.877,1080 3.915,1081 3.968,1082 3.815,1083 3.791,1084 7.426,1085 3.787,1086 3.889,1087 3.928,1088 3.803,1089 3.75,1090 7.422,1091 3.756,1092 3.745,1093 3.8,1094 3.637,1095 3.555,1096 4.859,1097 3.564,1098 3.665,1099 3.721,1100 3.566,1101 3.456,1102 4.752,1103 3.473,1104 3.544,1105 3.602,1106 3.499,1107 3.396,1108 4.63,1109 3.376,1110 3.484,1111 3.51,1112 3.401,1113 3.378,1114 4.331,1115 3.372,1116 0.087,1117 0.077,1118 0.144,1119 0.085,1120 0.066,1121 4.588,1122 0.083,1123 4.089,1124 0.037,1125 7.627,1126 0.262,1127 4.486,1128 0.065,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.902,1136 2.063,1137 2.07,1138 1.434,1139 2.071,1140 1.919,1141 1.897,1142 2.056,1143 2.029,1144 1.259,1145 2.037,1146 1.869,1147 1.81,1148 2.007,1149 1.972,1150 1.216,1151 1.991,1152 1.733,1153 1.697,1154 1.922,1155 1.924,1156 1.211,1157 1.923,1158 1.69,1159 1.637,1160 1.86,1161 1.903,1162 1.189,1163 1.893,1164 1.602,1165 1.547,1166 1.859,1167 1.831,1168 1.14,1169 1.836,1170 1.577,1171 1.507,1172 1.842,1173 1.751,1174 1.135,1175 1.793,1176 1.517,1177 1.492,1178 1.695,1179 1.701,1180 0.893,1181 1.703,1182 4.673,1183 5.989,1184 3.045,1185 7.495,1186 5.352,1187 9.083,1188 7.424,1189 10.715,1197 11.185,1198 9.06,1199 5.478,1201 -0.31,1202 4.435,1203 -1.079,1206 57.931,1207 147.102,1208 327.198,1209 453.275,1210 538.527,1211 548.136,1212 548.136,1213 130.239,1214 8.326,1215 120.08,1216 148.32,1217 34,1218 13.037,1219 4.392,1220 3.7,1221 75.521,1222 294,1223 364,1224 0.114,1225 354.209,1226 630.22,1227 856.03,1228 57973,1230 33.349,1231 0.695,1232 0.592,1233 33.702,1234 28.402,1235 23.399,1236 0.441,1237 0.344,1238 17.297,1239 22.146,1240 16.94,1241 13.867,1242 23.807,1243 18.251,1244 20.736,1245 0.284,1246 0.197,1247 21.378,1248 14.346,1249 17.784,1250 0.185,1251 0.116,1252 18.64,1253 11.159,1254 14.34,1255 0.119,1256 0.069,1257 15.182,1258 8.229,1259 11.284,1260 0.078,1261 0.038,1262 12.045,1263 5.497,1264 0.184,1265 150.177,1266 0.167,1267 42.279,1268 0.297,1269 252,1270 685.827,1271 300.349,1272 672.118,1273 903.38,1274 630,1275 295,1276 624.122,1277 342.447,1278 642.301,1279 944.1,1280 608,1281 6.4}
{0 CHEMBL242625,1 1.578,2 15.143,3 3.401,4 11.564,5 164.394,6 7.282,7 0.348,8 4.472,9 4.598,10 4.043,11 4.026,12 5.504,13 3.978,14 5.057,15 5.241,16 4.434,17 4.457,18 6.053,19 4.376,20 5.379,21 5.603,22 4.506,23 4.596,24 6.379,25 4.487,26 5.454,27 5.691,28 4.428,29 4.549,30 6.521,31 4.445,32 5.393,33 5.626,34 4.474,35 4.502,36 6.603,37 4.415,38 5.37,39 5.584,40 4.562,41 4.562,42 6.537,43 4.477,44 5.455,45 5.676,46 4.489,47 4.616,48 6.546,49 4.523,50 5.45,51 5.664,52 4.495,53 4.658,54 6.568,55 4.554,56 0.033,57 1.205,58 18.033,59 7.783,60 9.495,61 10.316,62 0.394,63 2.016,64 35.657,65 13.33,66 41.201,67 18.198,68 0.646,69 2.53,70 54.148,71 18.042,72 80.403,73 24.612,74 0.768,75 2.509,76 59.291,77 18.696,78 119.143,79 25.107,80 1.004,81 2.352,82 55.278,83 17.263,84 179.588,85 23.309,86 0.772,87 2.452,88 56.138,89 17.547,90 129.028,91 23.251,92 0.81,93 2.582,94 59.393,95 19.076,96 123.264,97 25.172,98 0.755,99 2.587,100 55.331,101 19.452,102 142.09,103 26.153,104 26,105 64,106 0.239,107 0.526,108 0.709,109 0.833,110 0.851,111 0.851,112 3.765,113 1.014,114 -3.31,115 -3.29,116 -3.15,119 39.5,121 6,124 1,125 5,126 1,127 1,132 10,133 2,141 2,144 4,155 15,157 1,158 2,160 3,162 4,163 19,165 1,166 5,168 2,169 2,170 8,173 11,176 8,179 2,181 6,183 3,185 3,186 8,189 2,191 8,193 7,195 2,196 10,198 1,199 1,200 10,203 11,206 10,209 3,211 6,214 14,217 1,218 6,221 1,223 5,224 22,226 3,227 10,231 5,234 16,238 4336,239 28.352,240 28.352,241 28.352,242 28.352,243 28.352,244 25.996,245 26.356,246 16.781,247 28.817,248 22.67,249 22.67,250 22.67,251 22.67,252 22.67,253 18.948,254 29.038,255 7.944,256 23.384,257 4.762,258 2.871,259 1.658,260 0.844,261 0.725,262 0.725,263 4.464,267 1,268 1383,269 5.196,271 258.476,272 507.771,274 225.781,277 2.306,278 53.785,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.81,288 90.5,289 636,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.733,301 6.335,302 3.969,303 3.026,304 3.69,305 1.94,306 9.735,307 2.849,308 4.028,309 3.705,310 6.075,311 3.819,312 2.834,313 3.467,314 1.925,315 8.816,316 2.792,317 3.955,318 3.532,319 6.025,320 3.761,321 2.8,322 3.214,323 1.058,324 8.569,325 2.68,326 3.83,327 2.891,328 5.792,329 3.435,330 2.442,331 3.114,332 0.8,333 7.733,334 2.412,335 3.774,336 2.766,337 5.294,338 3.402,339 2.404,340 3.036,341 0.555,342 6.768,343 2.392,344 3.348,345 2.761,346 5.022,347 3.221,348 2.284,349 2.362,350 0.343,351 6.02,352 2.133,353 3.099,354 2.693,355 4.897,356 2.816,357 1.823,358 2.298,359 0.14,360 4.885,361 1.8,362 3.032,363 2.14,364 4.414,365 2.574,366 1.593,367 2.225,369 4.312,370 1.557,371 2.983,372 2.007,373 4.236,374 2.515,375 1.532,376 2.115,378 3.916,379 1.51,380 2.921,381 1.782,382 4.195,383 2.457,384 1.512,385 2.05,387 3.573,388 1.441,389 2.634,390 1.635,391 4.056,392 2.455,393 1.465,394 1.619,396 3.393,397 1.398,398 2.585,399 1.532,400 3.626,401 2.285,402 1.304,403 1.559,405 2.928,406 1.272,407 2.5,408 1.491,409 3.618,410 2.106,411 1.127,412 1.5,414 2.794,415 1.089,416 2.444,417 1.418,418 3.577,419 2,420 1,421 1.381,423 2.275,424 1,425 20.167,426 0.48,427 1.018,428 0.024,429 47,430 1.119,431 20,432 0.476,433 27,434 0.643,435 47.405,436 1.129,437 46.433,438 0.573,439 42.224,440 1.005,441 8.967,442 0.214,443 11.359,444 0.27,445 0.091,446 0.025,447 0.263,450 0.686,451 1.341,452 0.801,453 1.056,454 0.513,455 1.002,456 0.673,457 1.115,458 0.889,459 0.973,460 0.514,461 0.993,462 0.96,463 1.055,464 1.025,465 1.074,466 0.925,467 1.055,468 1.455,469 0.995,470 1.053,471 0.96,472 1.547,473 0.963,474 1.36,475 0.923,476 0.904,477 0.817,478 1.446,479 0.842,480 1.226,481 1.082,482 1.075,483 1.064,484 1.225,485 0.959,486 1.481,487 0.946,488 1.14,489 0.979,490 1.553,491 0.966,492 1.269,493 1.014,494 1.002,495 0.967,496 1.332,497 1.04,498 9,499 0.372,500 5.333,501 2.729,502 2.606,503 1.309,504 1.123,505 0.856,506 0.457,507 0.487,508 31118,509 75549,510 2.082,511 48.1,512 4,513 24,516 3,517 2,518 6,520 1.816,521 1.961,522 3.843,523 0.725,527 127.788,528 1.578,529 3.469,530 4.682,531 5.496,532 5.614,533 5.614,534 3.369,535 4.773,536 5.361,537 4.049,538 3485.95,539 9.509,540 63749.3,544 513.528,545 1.446,546 5.325,547 0.196,548 0.007,549 0.083,550 0.043,551 0.043,552 0.021,553 0.017,554 0.013,555 0.007,556 0.008,557 0.436,558 0.33,559 0.75,560 0.494,561 241.248,562 -0.036,563 -0.112,564 0.06,565 0.013,566 -0.011,567 0.025,568 0.098,569 0.044,570 0.044,571 0.044,572 0.053,573 0.001,574 0.023,576 -0.026,577 -0.08,578 -0.026,579 -0.078,580 -0.13,581 -0.022,582 -0.049,583 -0.016,584 -0.137,585 -0.015,586 0.06,587 0.045,588 0.088,589 0.11,590 0.093,591 0.097,592 0.032,593 -0.035,594 0.023,595 -0.037,596 0.058,597 0.005,598 -0.157,599 0.063,600 -0.117,601 -0.005,602 -0.144,603 -0.012,604 -0.092,605 -0.02,606 -0.095,607 -0.02,608 -0.046,609 -0.069,610 2.333,611 6.859,612 0.619,613 56.118,614 0.999,615 1.127,616 2.076,617 4.31,618 0.66,619 3.85,620 4.174,621 4.431,622 4.644,623 4.82,624 4.844,625 4.898,626 5.024,627 5.043,628 5.088,629 8.924,630 0.619,631 589.83,632 3.85,633 5.398,634 6.244,635 7.117,636 7.982,637 8.859,638 9.731,639 10.612,640 11.49,641 12.373,642 6.2,645 1,648 4,653 2,654 10,658 1,659 2,661 16,662 1,670 81,672 20,673 2,674 46,676 85,677 32,678 14,679 3,680 9,681 1,683 5,684 6,691 4,692 1,694 7,696 18,697 14,698 1,699 4,703 4,707 4,713 39,714 9,715 3,716 10,717 1,720 5,721 0.8,722 4,732 2,733 3,735 1,742 2,743 1,749 1,753 4,755 1,757 1,761 42,766 11,767 3,770 1,771 2,772 1,774 1,778 4.9,781 4,785 21.417,786 14.4,787 9.236,788 5.074,789 2.214,790 1.282,791 0.969,792 10.17,793 10.079,794 4.078,795 4.593,796 5.079,797 5.549,798 5.993,799 6.172,800 6.427,801 6.788,802 6.727,803 6.814,804 1,805 64,806 15.834,807 6.961,808 7.78,809 30.279,810 25.554,811 2.28,812 95.75,815 423.76,816 186.854,817 60.281,819 100.58,821 31.278,822 155.576,823 524.339,824 60.281,825 8.396,826 82.892,827 94.762,828 119.398,829 8.883,830 2.104,831 455.037,833 423.76,834 215.857,835 100.58,836 31.278,838 353.133,839 171.206,841 86.017,842 129.84,844 31.278,845 423.76,846 160.861,847 186.854,850 423.76,851 83.695,852 109.407,853 54.032,854 100.58,855 423.76,856 160.861,857 186.854,859 0.582,860 0.341,861 0.176,862 0.094,863 29,864 13,865 0.118,866 10,867 1,868 1.077,869 5.112,870 421.84,871 0.077,872 26,873 214.477,874 1,878 30.495,879 14.007,880 7.718,881 2.001,882 160.861,883 19.177,887 1.4,888 1.458,890 54.032,891 771.474,892 58,896 53.273,900 -0.956,902 80.916,903 91.308,904 0.249,905 0.547,906 0.738,907 0.867,908 0.886,909 0.886,910 5.333,911 1.823,912 6.24,913 6.02,914 4.86,915 5.281,916 3.181,917 7.067,918 4.801,919 6.513,920 1.593,921 7.816,922 4.885,923 4.511,924 5.066,925 2.604,926 8.239,927 4.427,928 7.815,929 1.532,930 9.508,931 4.312,932 6.5,933 7.367,934 4.122,935 11.303,936 6.38,937 9.152,938 1.512,939 11.275,940 3.916,941 7.022,942 8.003,943 4.193,944 13.419,945 6.88,946 10.526,947 1.465,948 13.096,949 3.573,950 8.484,951 9.803,952 5.289,953 16.103,954 8.311,955 11.925,956 1.304,957 14.958,958 3.393,959 9.391,960 10.84,961 5.646,962 18.561,963 9.198,964 13.344,965 1.127,966 16.852,967 2.928,968 10.672,969 12.447,970 6.544,971 21.18,972 10.454,973 3.503,974 1,975 18.772,976 2.794,977 11.752,978 13.69,979 7.045,980 23.751,981 11.515,982 3.026,983 13.895,984 20.712,985 2.275,986 12.977,987 15.216,988 7.84,989 26.369,990 12.72,991 2.834,992 9.735,993 22.67,994 4.425,995 14.135,996 16.57,997 8.417,998 28.978,999 13.861,1000 2.8,1001 8.816,1002 24.641,1003 3.69,1004 15.351,1005 18.063,1006 9.156,1007 31.601,1008 15.06,1009 2.442,1010 8.569,1011 26.623,1012 3.467,1013 16.547,1014 19.477,1015 9.774,1016 34.224,1017 16.241,1018 2.404,1019 7.733,1020 28.614,1021 3.214,1022 17.767,1023 20.959,1024 10.483,1025 36.852,1026 17.445,1027 2.284,1028 6.768,1029 30.613,1030 3.114,1031 18.984,1032 22.405,1033 11.125,1034 39.48,1035 18.647,1036 29161,1037 45661,1038 30.8,1039 53.438,1040 69.428,1041 71.339,1042 71.218,1043 68.463,1044 68.466,1045 84.31,1046 17.494,1047 195.786,1048 66.527,1049 5.588,1050 6.089,1051 7.429,1052 5.604,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 19.881,1059 1.509,1060 1.551,1061 1.548,1062 1.488,1063 1.488,1064 1.833,1065 0.38,1066 4.256,1067 1.446,1068 4.091,1069 4.103,1070 4.335,1071 4.108,1072 7.438,1073 4.056,1074 3.966,1075 4.002,1076 3.898,1077 3.88,1078 7.427,1079 3.874,1080 3.889,1081 3.933,1082 3.803,1083 3.788,1084 7.426,1085 3.785,1086 3.861,1087 3.923,1088 3.762,1089 3.657,1090 7.422,1091 3.674,1092 3.684,1093 3.742,1094 3.59,1095 3.486,1096 4.858,1097 3.502,1098 3.522,1099 3.58,1100 3.5,1101 3.396,1102 4.751,1103 3.373,1104 3.484,1105 3.509,1106 3.404,1107 3.334,1108 4.377,1109 3.339,1110 3.269,1111 3.338,1112 3.196,1113 3.025,1114 4.322,1115 3.045,1116 0.1,1117 0.089,1118 0.166,1119 0.098,1120 0.076,1121 4.588,1122 0.096,1123 4.089,1124 0.043,1125 7.627,1126 0.302,1127 4.486,1128 0.075,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.902,1136 2.057,1137 2.038,1138 1.293,1139 2.04,1140 1.919,1141 1.897,1142 2.007,1143 2.018,1144 1.252,1145 2.019,1146 1.793,1147 1.727,1148 1.994,1149 1.972,1150 1.211,1151 1.991,1152 1.728,1153 1.694,1154 1.865,1155 1.913,1156 1.191,1157 1.902,1158 1.612,1159 1.561,1160 1.86,1161 1.835,1162 1.135,1163 1.831,1164 1.577,1165 1.507,1166 1.82,1167 1.751,1168 1.076,1169 1.793,1170 1.495,1171 1.477,1172 1.675,1173 1.681,1174 0.884,1175 1.68,1176 1.433,1177 1.391,1178 1.54,1179 1.551,1180 0.825,1181 1.566,1182 4.533,1183 5.855,1184 3.045,1185 7.362,1186 5.352,1187 8.95,1188 7.424,1189 10.581,1191 2.036,1197 6.379,1198 8.898,1201 -0.85,1202 4.017,1203 -1.083,1206 50.109,1207 127.788,1208 281.004,1209 379.215,1210 445.163,1211 454.773,1212 454.773,1213 117.709,1214 7.865,1215 110.85,1216 139.09,1217 28,1218 12.908,1219 4.392,1220 3.7,1221 68.565,1222 216,1223 268,1224 0.143,1225 309.644,1226 547.29,1227 747.292,1228 29241,1230 29.529,1231 0.703,1232 0.592,1233 29.882,1234 24.881,1235 20.326,1236 0.442,1237 0.338,1238 14.626,1239 19.208,1240 14.24,1241 11.727,1242 20.734,1243 15.546,1244 18.329,1245 0.286,1246 0.194,1247 18.971,1248 12.416,1249 15.462,1250 0.186,1251 0.113,1252 16.318,1253 9.407,1254 12.233,1255 0.119,1256 0.065,1257 13.075,1258 6.703,1259 9.58,1260 0.078,1261 0.036,1262 10.341,1263 4.415,1264 0.228,1265 130.864,1266 0.18,1267 37.55,1268 0.387,1269 220,1270 610.091,1271 264.805,1272 607.049,1273 813.28,1274 566,1275 257,1276 561.781,1277 301.068,1278 583.689,1279 853.94,1280 550,1281 7.7}
{0 CHEMBL242626,1 1.587,2 17.681,3 4.461,4 19.902,5 183.049,6 7.504,7 0.423,8 4.552,9 4.674,10 4.15,11 4.122,12 5.611,13 4.081,14 5.122,15 5.296,16 4.538,17 4.546,18 6.15,19 4.472,20 5.449,21 5.672,22 4.612,23 4.677,24 6.456,25 4.579,26 5.5,27 5.724,28 4.545,29 4.642,30 6.586,31 4.554,32 5.486,33 5.708,34 4.584,35 4.64,36 6.683,37 4.55,38 5.51,39 5.737,40 4.641,41 4.685,42 6.623,43 4.588,44 5.541,45 5.772,46 4.58,47 4.694,48 6.622,49 4.601,50 5.502,51 5.709,52 4.585,53 4.721,54 6.649,55 4.629,56 0.029,57 1.301,58 18.329,59 8.164,60 11.037,61 10.613,62 0.386,63 2.186,64 36.051,65 14.083,66 43.78,67 18.816,68 0.682,69 2.781,70 56.868,71 19.026,72 86.947,73 25.639,74 0.805,75 2.76,76 60.377,77 19.341,78 125.154,79 25.309,80 1.028,81 2.691,82 58.627,83 19.459,84 186.891,85 25.663,86 0.821,87 2.838,88 63.5,89 20.656,90 138.567,91 27.25,92 0.869,93 2.855,94 64.36,95 21.049,96 131.835,97 27.61,98 0.798,99 2.764,100 57.143,101 20.346,102 153.431,103 26.606,104 17,105 72,106 0.235,107 0.527,108 0.696,109 0.827,110 0.864,111 0.864,112 3.874,113 0.986,114 -4.17,115 -4.12,116 -3.89,119 41.4,121 6,125 5,126 1,127 1,132 13,133 2,135 1,137 1,141 2,144 4,155 17,157 2,158 5,160 3,162 4,163 20,165 1,166 7,168 2,169 2,170 8,173 11,176 9,179 2,181 6,183 3,185 4,186 9,189 2,191 8,193 7,195 2,196 11,198 1,199 1,200 10,203 11,205 1,206 13,209 3,211 6,214 15,217 1,218 7,221 1,223 5,224 23,226 3,227 11,229 1,231 6,234 17,238 6115,239 32.128,240 32.128,241 32.128,242 32.128,243 32.128,244 29.045,245 29.519,246 19.133,247 32.652,248 25.658,249 25.658,250 25.658,251 25.658,252 25.658,253 20.922,254 35.073,255 9.059,256 26.488,257 4.856,258 2.889,259 1.751,260 0.868,261 0.621,262 0.621,263 4.582,267 1,268 1834,269 5.244,271 297.004,272 776.581,274 260.167,277 2.525,278 57.793,280 0.75,281 0.33,282 0.67,283 0.7,284 0.5,285 0.5,287 0.49,288 101,289 831,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.733,301 6.335,302 3.969,303 3.026,304 3.69,305 1.94,306 9.735,307 2.849,308 4.097,309 3.705,310 6.165,311 3.847,312 2.91,313 3.551,314 1.925,315 9.109,316 2.792,317 4.027,318 3.532,319 6.075,320 3.812,321 2.824,322 3.467,323 1.058,324 8.816,325 2.724,326 3.915,327 3.096,328 5.984,329 3.638,330 2.684,331 3.214,332 0.8,333 8.443,334 2.549,335 3.83,336 2.891,337 5.792,338 3.435,339 2.442,340 3.107,341 0.555,342 7.733,343 2.412,344 3.774,345 2.764,346 5.294,347 3.401,348 2.402,349 3.035,350 0.343,351 6.768,352 2.391,353 3.223,354 2.693,355 4.897,356 2.902,357 1.932,358 2.393,359 0.14,360 4.905,361 1.867,362 3.099,363 2.327,364 4.547,365 2.807,366 1.813,367 2.298,369 4.756,370 1.793,371 3.032,372 2.008,373 4.414,374 2.578,375 1.596,376 2.226,378 4.312,379 1.561,380 2.983,381 1.881,382 4.221,383 2.516,384 1.532,385 2.116,387 3.856,388 1.51,389 2.921,390 1.782,391 4.19,392 2.479,393 1.512,394 2.05,396 3.573,397 1.471,398 2.792,399 1.635,400 4.053,401 2.457,402 1.482,403 1.825,405 3.399,406 1.398,407 2.585,408 1.532,409 3.626,410 2.301,411 1.32,412 1.56,414 2.934,415 1.289,416 2.5,417 1.491,418 3.618,419 2.158,420 1.184,421 1.5,423 2.811,424 1.144,425 22.567,426 0.48,427 1.031,428 0.022,429 57,430 1.213,431 26.5,432 0.564,433 30.5,434 0.649,435 51.354,436 1.093,437 50.633,438 0.582,439 51.156,440 1.088,441 10.91,442 0.232,443 11.988,444 0.255,445 0.059,446 0.022,447 0.257,450 0.689,451 1.304,452 0.775,453 1.019,454 0.514,455 0.958,456 0.654,457 1.156,458 0.893,459 1.014,460 0.529,461 1.021,462 0.996,463 1.041,464 1.008,465 1.031,466 0.934,467 1.008,468 1.55,469 1.009,470 1.117,471 0.973,472 1.612,473 0.989,474 1.324,475 0.971,476 0.972,477 0.906,478 1.429,479 0.946,480 1.131,481 1.059,482 1.045,483 1.053,484 1.136,485 0.969,486 1.358,487 0.908,488 1.073,489 0.945,490 1.42,491 0.921,492 1.383,493 0.993,494 1.03,495 0.965,496 1.471,497 1.034,498 9,499 0.392,500 5.778,501 2.917,502 2.557,503 1.448,504 1.324,505 0.934,506 0.486,507 0.488,508 45710,509 114162,510 2.122,511 46,512 4,513 24,515 1,516 3,517 2,518 6,520 1.84,521 2.022,522 4.049,523 0.677,527 138.032,528 1.587,529 3.554,530 4.692,531 5.575,532 5.822,533 5.822,534 3.486,535 5.001,536 5.523,537 4.269,538 4614.36,539 9.818,540 93466.5,544 560.536,545 1.337,546 5.498,547 0.173,548 0.006,549 0.08,550 0.04,551 0.037,552 0.02,553 0.018,554 0.013,555 0.007,556 0.007,557 0.401,558 0.33,559 0.5,560 0.421,561 281.168,562 -0.037,563 -0.114,564 0.06,565 0.011,566 -0.009,567 0.026,568 0.117,569 -0.016,570 0.022,571 -0.012,572 0.048,573 -0.05,574 0.012,575 0.006,576 -0.005,577 -0.05,578 -0.029,579 -0.041,580 -0.182,581 -0.007,582 -0.109,583 -0.029,584 -0.172,585 -0.05,586 0.045,587 0.008,588 0.008,589 0.034,590 0.064,591 0.002,592 0.041,593 -0.054,594 0.031,595 -0.04,596 0.055,597 0.004,598 -0.087,599 0.076,600 -0.046,601 0.025,602 -0.081,603 0.04,604 -0.119,605 -0.01,606 -0.11,607 -0.021,608 -0.06,609 -0.074,610 2.351,611 6.957,612 0.681,613 69.909,614 1,615 1.124,616 2.944,617 8.667,618 0.672,619 3.97,620 4.29,621 4.564,622 4.787,623 4.97,624 5.004,625 5.112,626 5.215,627 5.231,628 5.268,629 10.202,630 0.634,631 652.89,632 3.97,633 5.517,634 6.368,635 7.241,636 8.107,637 8.984,638 9.858,639 10.738,640 11.616,641 12.498,642 6.9,647 1,648 4,651 1,653 2,654 14,655 1,658 1,659 3,661 22,662 1,667 1,670 87,672 26,673 2,674 52,676 92,677 36,678 19,679 3,680 9,681 1,683 6,684 7,691 4,692 1,694 7,696 23,697 13,698 1,699 4,703 4,707 4,713 40,714 10,715 3,716 11,717 1,720 6,721 0.833,722 4,727 1,732 2,733 4,735 1,742 2,743 1,753 5,755 1,761 47,766 11,767 3,770 1,771 2,772 1,774 1,778 4.6,781 4,785 23.25,786 15.183,787 10.347,788 5.457,789 2.507,790 1.302,791 0.984,792 10.847,793 10.809,794 4.22,795 4.747,796 5.254,797 5.734,798 6.184,799 6.308,800 6.586,801 6.915,802 6.882,803 6.985,804 0.917,805 73,806 17.678,807 7.788,808 7.764,809 33.752,810 28.505,811 2.264,812 106.417,815 435.531,816 218.261,817 77.066,819 100.58,821 31.278,822 186.984,823 536.11,824 77.066,826 82.892,827 123.191,828 147.955,829 17.93,830 4.432,831 455.037,833 435.531,834 264.05,835 100.58,836 31.278,838 364.904,839 171.206,841 91.94,842 155.325,843 16.786,844 31.278,845 435.531,846 177.646,847 218.261,850 435.531,851 86.023,852 138.487,853 54.032,854 117.365,855 435.531,856 177.646,857 218.261,859 0.579,860 0.343,861 0.181,862 0.095,863 33,864 14,865 0.12,866 11,867 1,868 1.063,869 5.592,870 492.561,871 0.063,872 32,873 249.066,874 1,878 33.109,879 15.397,880 8.197,881 1.991,882 177.646,883 26.715,884 4.398,887 1.396,888 2.341,890 54.032,891 831.438,892 67,896 53.911,900 -1.031,902 87.018,903 97.806,904 0.246,905 0.552,906 0.728,907 0.865,908 0.904,909 0.904,910 5.466,911 1.932,912 6.354,913 6.768,914 4.977,915 5.436,916 3.181,917 7.179,918 4.914,919 6.645,920 1.813,921 7.926,922 4.905,923 4.575,924 5.147,925 2.604,926 8.321,927 4.483,928 7.943,929 1.596,930 9.612,931 4.756,932 6.608,933 7.529,934 4.122,935 11.393,936 6.478,937 9.276,938 1.532,939 11.375,940 4.312,941 7.099,942 8.097,943 4.193,944 13.482,945 6.941,946 10.646,947 1.512,948 13.191,949 3.856,950 8.582,951 9.951,952 5.289,953 16.159,954 8.391,955 12.042,956 1.482,957 15.048,958 3.573,959 9.469,960 10.929,961 5.646,962 18.597,963 9.253,964 13.456,965 1.32,966 16.935,967 3.399,968 10.755,969 12.566,970 6.544,971 21.207,972 10.514,973 3.503,974 1.184,975 18.848,976 2.934,977 11.821,978 13.765,979 7.045,980 23.769,981 11.559,982 3.026,983 13.895,984 20.78,985 2.811,986 13.045,987 15.305,988 7.84,989 26.381,990 12.762,991 2.91,992 9.735,993 22.729,994 4.425,995 14.193,996 16.629,997 8.417,998 28.986,999 13.894,1000 2.824,1001 9.109,1002 24.692,1003 3.69,1004 15.403,1005 18.126,1006 9.156,1007 31.607,1008 15.088,1009 2.684,1010 8.816,1011 26.667,1012 3.551,1013 16.592,1014 19.52,1015 9.774,1016 34.228,1017 16.263,1018 2.442,1019 8.443,1020 28.652,1021 3.467,1022 17.807,1023 21.002,1024 10.483,1025 36.854,1026 17.464,1027 2.402,1028 7.733,1029 30.645,1030 3.214,1031 19.018,1032 22.436,1033 11.125,1034 39.481,1035 18.662,1036 42022,1037 66630,1038 35.364,1039 58.444,1040 78.521,1041 80.522,1042 79.918,1043 77.519,1044 77.539,1045 97.56,1046 17.494,1047 220.625,1048 75.249,1049 5.588,1050 6.089,1051 7.429,1052 5.604,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 18.756,1059 1.51,1060 1.548,1061 1.537,1062 1.491,1063 1.491,1064 1.876,1065 0.336,1066 4.243,1067 1.447,1068 4.093,1069 4.107,1070 4.335,1071 4.109,1072 7.438,1073 4.056,1074 3.975,1075 4.014,1076 3.91,1077 3.882,1078 7.427,1079 3.878,1080 3.92,1081 3.971,1082 3.849,1083 3.793,1084 7.426,1085 3.794,1086 3.889,1087 3.928,1088 3.803,1089 3.772,1090 7.422,1091 3.778,1092 3.767,1093 3.817,1094 3.684,1095 3.595,1096 4.902,1097 3.608,1098 3.661,1099 3.717,1100 3.571,1101 3.47,1102 4.854,1103 3.486,1104 3.494,1105 3.555,1106 3.499,1107 3.396,1108 4.75,1109 3.373,1110 3.481,1111 3.508,1112 3.361,1113 3.314,1114 4.33,1115 3.315,1116 0.088,1117 0.079,1118 0.147,1119 0.086,1120 0.067,1121 4.588,1122 0.085,1123 4.089,1124 0.038,1125 7.627,1126 0.267,1127 4.486,1128 0.066,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.902,1136 2.057,1137 2.059,1138 1.292,1139 2.05,1140 1.919,1141 1.897,1142 2.011,1143 2.027,1144 1.252,1145 2.034,1146 1.866,1147 1.816,1148 2.007,1149 1.972,1150 1.211,1151 1.991,1152 1.734,1153 1.698,1154 1.892,1155 1.918,1156 1.191,1157 1.911,1158 1.712,1159 1.662,1160 1.86,1161 1.896,1162 1.135,1163 1.889,1164 1.593,1165 1.545,1166 1.859,1167 1.805,1168 1.077,1169 1.804,1170 1.577,1171 1.507,1172 1.8,1173 1.751,1174 0.913,1175 1.793,1176 1.486,1177 1.469,1178 1.67,1179 1.66,1180 0.883,1181 1.665,1182 4.654,1183 5.974,1184 3.045,1185 7.484,1186 5.352,1187 9.075,1188 7.424,1189 10.709,1197 5.766,1198 8.93,1201 -0.874,1202 3.975,1203 -1.101,1206 55.13,1207 138.032,1208 309.211,1209 408.192,1210 485.026,1211 506.536,1212 506.536,1213 122.467,1214 8.302,1215 123.74,1216 151.98,1217 34,1218 13.034,1219 4.755,1220 4,1221 73.018,1222 275,1223 341,1224 0.118,1225 338.632,1226 596.31,1227 818.023,1228 54831,1230 32.641,1231 0.694,1232 0.577,1233 32.995,1234 27.138,1235 22.899,1236 0.44,1237 0.329,1238 16.164,1239 21.725,1240 15.81,1241 12.99,1242 23.307,1243 17.093,1244 20.382,1245 0.283,1246 0.185,1247 21.024,1248 13.288,1249 17.534,1250 0.185,1251 0.107,1252 18.39,1253 10.157,1254 14.169,1255 0.119,1256 0.062,1257 15.011,1258 7.373,1259 11.117,1260 0.078,1261 0.034,1262 11.878,1263 4.83,1264 0.19,1265 146.631,1266 0.168,1267 41.406,1268 0.311,1269 248,1270 689.736,1271 295.247,1272 686.492,1273 929.05,1274 642,1275 291,1276 654.302,1277 337.566,1278 675.302,1279 989.49,1280 639,1281 8.3}
{0 CHEMBL242631,1 1.555,2 14.5,3 3.818,4 14.579,5 157.903,6 7.215,7 0.364,8 4.436,9 4.559,10 4.003,11 3.993,12 5.442,13 3.943,14 5.025,15 5.202,16 4.38,17 4.421,18 6,19 4.334,20 5.342,21 5.572,22 4.434,23 4.545,24 6.293,25 4.425,26 5.382,27 5.628,28 4.351,29 4.497,30 6.379,31 4.384,32 5.344,33 5.577,34 4.425,35 4.472,36 6.517,37 4.377,38 5.354,39 5.571,40 4.507,41 4.536,42 6.447,43 4.444,44 5.423,45 5.65,46 4.441,47 4.585,48 6.469,49 4.487,50 5.414,51 5.631,52 4.449,53 4.632,54 6.496,55 4.521,56 0.04,57 1.135,58 17.704,59 7.727,60 9.514,61 10.122,62 0.371,63 1.904,64 35.001,65 13.356,66 41.205,67 17.802,68 0.689,69 2.41,70 53.059,71 17.609,72 72.506,73 24.066,74 0.62,75 2.386,76 55.243,77 17.691,78 86.351,79 24.039,80 0.863,81 2.264,82 52.404,83 16.952,84 157.803,85 22.875,86 0.723,87 2.4,88 55.802,89 17.414,90 103.09,91 22.944,92 0.751,93 2.512,94 57.86,95 18.637,96 103.121,97 24.781,98 0.709,99 2.506,100 53.5,101 19.135,102 127.938,103 25.801,104 10,105 60,106 0.238,107 0.529,108 0.709,109 0.833,110 0.851,111 0.851,112 3.717,113 1.028,114 -3.52,115 -3.5,116 -3.34,119 39.7,121 6,125 6,126 1,127 1,132 10,133 2,141 2,144 3,155 15,158 1,160 3,162 4,163 19,165 1,166 5,168 2,169 2,170 8,173 11,176 8,179 1,181 6,183 3,185 2,186 8,189 2,191 8,193 7,195 1,196 10,198 1,199 1,200 10,203 11,206 9,209 2,211 6,214 14,217 1,218 5,221 1,223 5,224 22,226 2,227 8,231 5,234 16,238 3744,239 27.404,240 27.404,241 27.404,242 27.404,243 27.404,244 25.178,245 25.955,246 16.555,247 27.94,248 21.742,249 21.742,250 21.742,251 21.742,252 21.742,253 18.293,254 30.033,255 7.881,256 22.575,257 4.731,258 2.826,259 1.651,260 0.841,261 0.718,262 0.718,263 4.421,267 1,268 1268,269 4.95,271 241.827,272 479.517,274 211.198,277 2.2,278 46.777,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 86,289 580,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.72,301 6.335,302 3.969,303 3.026,304 3.69,305 1.925,306 9.735,307 2.849,308 4.026,309 3.532,310 6.074,311 3.814,312 2.823,313 3.467,314 1.058,315 8.815,316 2.79,317 3.83,318 2.891,319 5.792,320 3.441,321 2.522,322 3.214,323 0.86,324 7.733,325 2.413,326 3.776,327 2.885,328 5.34,329 3.434,330 2.442,331 3.044,332 0.8,333 6.966,334 2.394,335 3.52,336 2.764,337 5.294,338 3.398,339 2.402,340 2.521,341 0.343,342 6.767,343 2.305,344 3.101,345 2.693,346 4.897,347 2.824,348 1.835,349 2.298,350 0.14,351 4.882,352 1.806,353 3.032,354 2.177,355 4.414,356 2.602,357 1.633,358 2.226,360 4.312,361 1.581,362 2.984,363 2.008,364 4.206,365 2.516,366 1.532,367 2.117,369 3.654,370 1.51,371 2.922,372 1.782,373 4.137,374 2.476,375 1.517,376 2.05,378 3.563,379 1.456,380 2.65,381 1.678,382 3.692,383 2.457,384 1.505,385 1.648,387 3.229,388 1.398,389 2.585,390 1.532,391 3.626,392 2.307,393 1.363,394 1.559,396 2.957,397 1.28,398 2.5,399 1.491,400 3.618,401 2.197,402 1.243,403 1.5,405 2.843,406 1.165,407 2.456,408 1.418,409 3.577,410 2,411 1.026,412 1.432,414 2.46,415 1,416 2.266,417 1.309,418 3.47,419 2,420 1,421 1.211,423 2.136,424 0.98,425 19.267,426 0.482,427 0.822,428 0.021,429 44,430 1.1,431 18.5,432 0.463,433 25.5,434 0.638,435 44.868,436 1.122,437 44.333,438 0.568,439 37.362,440 0.934,441 8.302,442 0.208,443 11.219,444 0.28,445 0.052,446 0.026,447 0.228,450 0.734,451 1.281,452 0.809,453 1.049,454 0.533,455 0.999,456 0.851,457 1.146,458 0.936,459 1.009,460 0.566,461 1.034,462 0.941,463 1.04,464 1.01,465 1.032,466 0.892,467 1.024,468 1.288,469 0.985,470 1.019,471 0.944,472 1.481,473 0.94,474 1.247,475 0.972,476 0.884,477 0.852,478 1.423,479 0.865,480 1.353,481 1.075,482 1.108,483 1.043,484 1.528,485 0.957,486 1.421,487 0.953,488 1.12,489 0.96,490 1.61,491 0.946,492 1.184,493 1.012,494 0.987,495 0.961,496 1.39,497 1.039,498 7.5,499 0.296,500 4.222,501 2.292,502 2.374,503 1.079,504 1,505 0.825,506 0.367,507 0.355,508 27624,509 65938,510 2.116,511 48.7,512 4,513 23,516 3,518 6,519 2,520 1.805,521 2.025,522 3.782,523 0.731,527 121.26,528 1.555,529 3.46,530 4.634,531 5.444,532 5.567,533 5.567,534 3.25,535 4.722,536 5.289,537 3.993,538 3114.84,539 9.368,540 55011.3,544 490.261,545 1.28,546 5.269,547 0.17,548 0.006,549 0.07,550 0.039,551 0.042,552 0.018,553 0.016,554 0.013,555 0.006,556 0.006,557 0.386,558 0.33,559 0.63,560 0.413,561 226.372,562 -0.034,563 -0.066,564 0.063,565 0.021,566 -0.009,567 0.033,568 0.035,569 -0.009,570 0.007,571 0.015,572 0.038,573 -0.038,574 0.047,575 0.005,576 -0.005,577 -0.045,578 -0.001,579 -0.049,580 -0.116,581 0.012,582 -0.023,583 -0.002,584 -0.109,585 0.012,586 0.08,587 0.008,588 0.097,589 0.08,590 0.165,591 0.081,592 -0.057,593 -0.028,594 -0.007,595 -0.026,596 -0.05,598 -0.149,599 0.066,600 -0.1,601 0.008,602 -0.135,603 0.007,604 -0.069,605 -0.01,606 -0.088,607 -0.017,608 -0.023,609 -0.066,610 2.279,611 6.827,612 0.65,613 52.82,614 0.998,615 1.126,616 2.294,617 5.262,618 0.659,619 3.807,620 4.111,621 4.369,622 4.595,623 4.762,624 4.762,625 4.852,626 4.997,627 5.004,628 5.03,629 8.621,630 0.617,631 562.8,632 3.807,633 5.342,634 6.184,635 7.052,636 7.913,637 8.787,638 9.658,639 10.537,640 11.415,641 12.298,642 5.1,645 1,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 78,672 19,673 2,674 44,676 82,677 31,678 14,679 3,680 9,681 1,683 5,684 6,691 4,692 1,694 7,696 17,697 14,698 1,699 3,703 3,707 3,713 38,714 8,715 3,716 9,717 1,720 4,721 0.8,722 4,732 2,733 3,735 1,742 2,749 1,752 1,753 4,755 1,761 40,766 12,767 3,768 1,770 1,771 1,772 1,774 1,778 5.1,781 3,782 1,785 19.75,786 13.45,787 8.875,788 4.974,789 2.244,790 1.289,791 0.97,792 9.977,793 10.023,794 4.025,795 4.53,796 5.028,797 5.517,798 5.968,799 6.134,800 6.411,801 6.781,802 6.71,803 6.79,804 0.9,805 59,806 15.051,807 6.57,808 7.702,809 29.063,810 24.544,811 2.202,812 88.083,815 411.989,816 180.832,817 57.157,819 86.435,821 31.278,822 149.554,823 498.423,824 57.157,826 86.847,827 94.762,828 100.549,829 8.883,830 2.104,831 443.266,833 411.989,834 206.71,835 86.435,836 31.278,838 317.82,839 169.604,840 11,841 89.971,842 116.739,844 31.278,845 411.989,846 143.591,847 180.832,850 411.989,851 86.069,852 97.887,853 54.032,854 86.435,855 411.989,856 143.591,857 180.832,859 0.573,860 0.336,861 0.179,862 0.094,863 27,864 11,865 0.134,866 11,867 1,868 1.077,869 5.034,870 393.094,871 0.077,872 26,873 200.877,874 1,878 28.877,879 13.82,880 7.566,881 2.043,882 143.591,883 19.445,887 1.423,888 1.546,890 54.032,891 736.411,892 55,896 40.502,900 -0.738,902 77.814,903 87.809,904 0.247,905 0.55,906 0.737,907 0.866,908 0.886,909 0.886,910 5.268,911 1.633,912 6.163,913 4.882,914 4.796,915 5.218,916 2.937,917 6.98,918 4.728,919 6.435,920 1.532,921 7.727,922 4.312,923 4.369,924 4.945,925 2.221,926 8.155,927 4.288,928 7.728,929 1.517,930 9.411,931 3.654,932 6.418,933 7.304,934 3.792,935 11.231,936 6.291,937 9.061,938 1.505,939 11.178,940 3.563,941 6.909,942 7.923,943 3.792,944 13.372,945 6.77,946 10.434,947 1.363,948 13.003,949 3.229,950 8.401,951 9.755,952 4.925,953 16.064,954 8.225,955 11.835,956 1.243,957 14.873,958 2.957,959 9.302,960 10.79,961 5.25,962 18.537,963 9.113,964 13.257,965 1.026,966 16.776,967 2.843,968 10.599,969 12.414,970 6.173,971 21.162,972 10.383,973 3.503,974 1,975 18.705,976 2.46,977 11.683,978 13.662,979 6.658,980 23.741,981 11.452,982 3.026,983 13.895,984 20.655,985 2.136,986 12.919,987 15.196,988 7.469,989 26.361,990 12.667,991 2.823,992 9.735,993 22.62,994 4.425,995 14.084,996 16.555,997 8.038,998 28.974,999 13.817,1000 2.522,1001 8.815,1002 24.599,1003 3.69,1004 15.307,1005 18.052,1006 8.789,1007 31.599,1008 15.022,1009 2.442,1010 7.733,1011 26.588,1012 3.467,1013 16.51,1014 19.469,1015 9.404,1016 34.223,1017 16.21,1018 2.402,1019 6.966,1020 28.586,1021 3.214,1022 17.736,1023 20.953,1024 10.121,1025 36.851,1026 17.42,1027 1.835,1028 6.767,1029 30.59,1030 3.044,1031 18.958,1032 22.401,1033 10.762,1034 39.479,1035 18.627,1036 25726,1037 39952,1038 29.989,1039 51.432,1040 65.587,1041 67.27,1042 66.973,1043 64.981,1044 65.005,1045 79.804,1046 14.222,1047 182.367,1048 62.77,1049 5.588,1050 6.089,1051 7.429,1052 5.603,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 14.336,1059 1.491,1060 1.529,1061 1.522,1062 1.477,1063 1.477,1064 1.814,1065 0.323,1066 4.145,1067 1.427,1068 4.09,1069 4.102,1070 4.335,1071 4.108,1072 7.436,1073 4.055,1074 3.964,1075 4,1076 3.896,1077 3.879,1078 7.427,1079 3.874,1080 3.889,1081 3.93,1082 3.803,1083 3.788,1084 7.422,1085 3.785,1086 3.824,1087 3.886,1088 3.702,1089 3.621,1090 4.859,1091 3.631,1092 3.671,1093 3.724,1094 3.579,1095 3.468,1096 4.751,1097 3.486,1098 3.489,1099 3.552,1100 3.499,1101 3.396,1102 4.627,1103 3.373,1104 3.479,1105 3.508,1106 3.329,1107 3.304,1108 4.327,1109 3.298,1110 3.233,1111 3.275,1112 3.175,1113 3.022,1114 4.206,1115 3.037,1116 0.104,1117 0.093,1118 0.173,1119 0.102,1120 0.08,1121 4.588,1122 0.101,1123 4.089,1124 0.045,1125 7.627,1126 0.316,1127 4.486,1128 0.078,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.902,1136 2.057,1137 2.033,1138 1.301,1139 2.039,1140 1.919,1141 1.897,1142 2.007,1143 1.994,1144 1.249,1145 1.995,1146 1.766,1147 1.706,1148 1.985,1149 1.972,1150 1.211,1151 1.991,1152 1.726,1153 1.687,1154 1.862,1155 1.912,1156 1.191,1157 1.9,1158 1.592,1159 1.548,1160 1.86,1161 1.819,1162 1.135,1163 1.817,1164 1.577,1165 1.507,1166 1.813,1167 1.751,1168 1.09,1169 1.793,1170 1.488,1171 1.469,1172 1.682,1173 1.666,1174 0.89,1175 1.675,1176 1.428,1177 1.377,1178 1.513,1179 1.546,1180 0.825,1181 1.565,1182 4.489,1183 5.796,1184 3.045,1185 7.292,1186 5.352,1187 8.873,1188 7.424,1189 10.499,1197 8.744,1198 9.146,1199 5.405,1201 -0.739,1202 2.335,1203 -1.029,1206 48.087,1207 121.26,1208 269.852,1209 361.458,1210 424.652,1211 434.261,1212 434.261,1213 100.142,1214 7.779,1215 99.77,1216 128.01,1217 28,1218 12.833,1219 4.322,1220 3.585,1221 63.582,1222 200,1223 238,1224 0.145,1225 296.185,1226 521.63,1227 714.452,1228 26268,1230 27.788,1231 0.695,1232 0.591,1233 28.142,1234 23.641,1235 19.522,1236 0.444,1237 0.343,1238 14.166,1239 18.433,1240 13.848,1241 11.372,1242 19.93,1243 15.078,1244 17.189,1245 0.286,1246 0.196,1247 17.832,1248 11.79,1249 14.524,1250 0.186,1251 0.115,1252 15.38,1253 8.967,1254 11.756,1255 0.12,1256 0.067,1257 12.597,1258 6.536,1259 9.222,1260 0.079,1261 0.037,1262 9.983,1263 4.238,1264 0.23,1265 125.8,1266 0.183,1267 36.151,1268 0.393,1269 208,1270 568.446,1271 251.387,1272 563.13,1273 757.8,1274 528,1275 242,1276 520.316,1277 284.456,1278 540.75,1279 793.93,1280 511,1281 7.6}
{0 CHEMBL243496,1 1.495,2 16.8,3 5.038,4 25.377,5 179.505,6 6.933,7 0.32,8 4.585,9 4.71,10 4.118,11 4.148,12 5.54,13 4.089,14 5.198,15 5.378,16 4.504,17 4.6,18 6.109,19 4.502,20 5.548,21 5.786,22 4.566,23 4.75,24 6.421,25 4.613,26 5.625,27 5.892,28 4.485,29 4.702,30 6.525,31 4.566,32 5.557,33 5.81,34 4.563,35 4.673,36 6.632,37 4.562,38 5.551,39 5.771,40 4.641,41 4.751,42 6.573,43 4.639,44 5.666,45 5.91,46 4.556,47 4.786,48 6.623,49 4.661,50 5.621,51 5.868,52 4.549,53 4.797,54 6.578,55 4.662,56 0.067,57 1.314,58 21.518,59 9.291,60 10.282,61 12.431,62 0.413,63 2.252,64 42.346,65 16.414,66 42.736,67 22.311,68 0.68,69 2.944,70 64.299,71 22.221,72 71.329,73 30.955,74 0.736,75 3.003,76 69.872,77 22.224,78 91.125,79 31.416,80 1.073,81 2.798,82 64.765,83 20.877,84 161.843,85 29.126,86 0.688,87 2.898,88 66.394,89 22.289,90 102.146,91 29.901,92 0.89,93 3.109,94 73.194,95 23.968,96 119.416,97 32.777,98 0.818,99 3.033,100 66.654,101 23.742,102 122.446,103 33.098,104 10,105 69,106 0.222,107 0.5,108 0.692,109 0.826,110 0.845,111 0.845,112 3.832,113 1.052,114 -4.44,115 -4.37,116 -4.12,119 39.6,121 9,122 2,125 6,126 1,127 1,132 10,133 2,141 2,144 3,155 19,158 5,160 3,162 4,163 21,166 9,168 2,169 2,170 10,173 11,176 8,181 6,183 5,185 3,186 9,189 3,191 8,193 12,196 10,198 1,199 1,200 12,203 15,205 1,206 10,211 7,214 16,217 1,218 8,221 2,223 7,224 26,227 8,231 7,234 24,238 5414,239 30.868,240 30.868,241 30.868,242 30.868,243 30.868,244 28.642,245 29.492,246 18.467,247 31.381,248 24.709,249 24.709,250 24.709,251 24.709,252 24.709,253 21.26,254 29.481,255 8.816,256 25.505,257 5.013,258 3.134,259 1.842,260 0.941,261 0.813,262 0.813,263 4.543,267 1,268 1673,269 4.95,271 278.868,272 730.778,274 244.514,277 2.507,278 49.181,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 96,289 756,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.721,301 6.335,302 3.969,303 3.026,304 3.69,305 1.925,306 9.735,307 2.849,308 4.028,309 3.532,310 6.076,311 3.821,312 2.832,313 3.467,314 1.058,315 8.821,316 2.795,317 3.83,318 2.939,319 5.792,320 3.681,321 2.72,322 3.214,323 0.86,324 7.788,325 2.619,326 3.788,327 2.891,328 5.616,329 3.47,330 2.48,331 3.049,332 0.8,333 7.733,334 2.455,335 3.714,336 2.765,337 5.341,338 3.434,339 2.441,340 2.721,341 0.343,342 6.975,343 2.408,344 3.46,345 2.693,346 5.283,347 3.381,348 2.383,349 2.462,350 0.14,351 6.737,352 2.374,353 3.115,354 2.582,355 4.958,356 3.014,357 2.075,358 2.298,360 5.868,361 1.94,362 3.05,363 2.333,364 4.889,365 2.788,366 1.781,367 2.225,369 4.838,370 1.78,371 3.032,372 2,373 4.414,374 2.521,375 1.532,376 2.127,378 4.312,379 1.516,380 2.979,381 1.918,382 4.203,383 2.511,384 1.523,385 2.055,387 3.577,388 1.507,389 2.916,390 1.782,391 4.094,392 2.457,393 1.507,394 2.039,396 3.451,397 1.398,398 2.585,399 1.532,400 3.626,401 2.307,402 1.42,403 1.56,405 3.042,406 1.284,407 2.5,408 1.491,409 3.618,410 2.28,411 1.312,412 1.5,414 2.925,415 1.228,416 2.444,417 1.418,418 3.594,419 2.087,420 1.115,421 1.43,423 2.786,424 1.069,425 21.767,426 0.484,427 0.959,428 0.021,429 47,430 1.044,431 18.5,432 0.411,433 28.5,434 0.633,435 56.477,436 1.255,437 50.233,438 0.552,439 39.456,440 0.877,441 8.294,442 0.184,443 13.677,444 0.304,445 0.046,446 0.023,447 0.248,450 0.727,451 1.272,452 0.839,453 1.068,454 0.526,455 1.025,456 0.823,457 1.16,458 0.957,459 1.044,460 0.544,461 1.069,462 0.896,463 1.126,464 1.009,465 1.09,466 0.827,467 1.076,468 1.264,469 0.994,470 0.982,471 0.91,472 1.338,473 0.914,474 1.193,475 0.847,476 0.861,477 0.781,478 1.305,479 0.813,480 1.291,481 1.149,482 1.094,483 1.123,484 1.558,485 1.041,486 1.474,487 0.975,488 1.098,489 0.954,490 1.61,491 0.957,492 1.04,493 0.935,494 0.916,495 0.902,496 1.054,497 0.966,498 9,499 0.316,500 4.667,501 2.417,502 2.757,503 1.316,504 1.099,505 0.917,506 0.539,507 0.362,508 40224,509 87410,510 2.141,511 50.5,512 4,513 23,516 3,518 16,520 1.831,521 2.053,522 3.969,523 0.66,527 136.008,528 1.495,529 3.374,530 4.666,531 5.567,532 5.695,533 5.695,534 3.463,535 4.87,536 5.458,537 4.196,538 4154.27,539 9.696,540 80783.2,544 592.209,545 1.269,546 5.441,547 0.18,548 0.005,549 0.068,550 0.036,551 0.043,552 0.019,553 0.015,554 0.013,555 0.008,556 0.005,557 0.391,558 0.17,559 0.63,560 0.383,561 265.108,562 -0.022,563 -0.044,564 0.068,565 0.031,566 0.004,567 0.042,568 0.046,569 -0.018,570 -0.001,571 -0.001,572 0.051,573 -0.047,574 0.043,575 -0.085,576 -0.018,577 -0.095,578 0.016,579 -0.087,580 -0.101,581 -0.003,582 0.006,583 0.014,584 -0.072,585 0.032,586 0.122,587 0.145,588 0.119,589 0.138,590 0.19,591 0.129,592 -0.037,593 -0.112,594 -0.02,595 -0.093,596 -0.031,597 -0.058,598 -0.147,599 0.015,600 -0.084,601 0.004,602 -0.119,603 -0.002,604 -0.002,605 0.054,606 -0.005,607 0.036,608 0.048,609 0.011,610 2.278,611 7.001,612 0.711,613 66.271,614 0.993,615 1.126,616 3.21,617 10.307,618 0.654,619 3.932,620 4.248,621 4.511,622 4.745,623 4.942,624 4.949,625 5.05,626 5.215,627 5.247,628 5.283,629 9.731,630 0.607,631 630.93,632 3.932,633 5.476,634 6.323,635 7.194,636 8.057,637 8.932,638 9.803,639 10.682,640 11.557,641 12.439,642 4.4,645 1,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 91,672 19,673 2,674 50,676 96,677 36,678 14,679 3,680 9,681 1,683 6,684 7,691 8,692 3,694 10,696 17,697 19,698 3,699 3,703 3,707 3,713 46,714 8,715 3,716 9,717 1,720 4,721 0.833,722 4,732 2,733 4,735 1,742 2,749 1,752 1,753 5,755 1,761 45,766 15,767 3,768 1,770 3,771 1,772 1,774 1,778 4.4,781 3,782 1,785 21.917,786 15.617,787 9.875,788 5.974,789 2.029,790 1.246,791 0.97,792 10.987,793 10.295,794 4.127,795 4.623,796 5.104,797 5.579,798 6.028,799 6.187,800 6.456,801 6.826,802 6.766,803 6.848,804 1,805 68,806 16.969,807 7.468,808 7.617,809 33.245,810 28.786,811 2.117,812 95.25,815 506.157,816 188.435,817 57.157,819 86.435,821 31.278,822 157.158,823 592.592,824 57.157,826 94.451,827 94.762,828 100.549,829 8.883,830 2.104,831 537.435,833 506.157,834 214.314,835 86.435,836 31.278,838 317.82,839 263.772,840 11,841 97.575,842 116.739,844 31.278,845 506.157,846 143.591,847 188.435,850 506.157,851 93.673,852 97.887,853 54.032,854 86.435,855 506.157,856 143.591,857 188.435,859 0.578,860 0.337,861 0.18,862 0.097,863 32,864 13,865 0.115,866 11,867 1,868 1.063,869 5.464,870 466.797,871 0.063,872 32,873 231.133,874 1,878 32.31,879 15.302,880 8.397,881 2.055,882 143.591,883 19.597,887 1.432,888 1.571,890 54.032,891 838.184,892 61,896 41.116,900 -0.673,902 90.348,903 102.47,904 0.23,905 0.518,906 0.717,907 0.855,908 0.875,909 0.875,910 5.384,911 2.075,912 6.304,913 6.737,914 4.934,915 5.311,916 2.937,917 7.117,918 4.876,919 6.544,920 1.781,921 7.865,922 5.868,923 4.511,924 5.027,925 2.221,926 8.244,927 4.44,928 7.834,929 1.532,930 9.54,931 4.838,932 6.555,933 7.363,934 3.792,935 11.314,936 6.444,937 9.158,938 1.523,939 11.293,940 4.312,941 7.022,942 7.965,943 3.792,944 13.412,945 6.897,946 10.522,947 1.507,948 13.103,949 3.577,950 8.515,951 9.785,952 4.925,953 16.097,954 8.355,955 11.913,956 1.42,957 14.956,958 3.451,959 9.388,960 10.81,961 5.25,962 18.552,963 9.211,964 13.326,965 1.312,966 16.843,967 3.042,968 10.682,969 12.428,970 6.173,971 21.173,972 10.477,973 3.503,974 1.115,975 18.759,976 2.925,977 11.745,978 13.671,979 6.658,980 23.746,981 11.522,982 3.026,983 13.895,984 20.696,985 2.786,986 12.975,987 15.202,988 7.469,989 26.365,990 12.73,991 2.832,992 9.735,993 22.653,994 4.425,995 14.127,996 16.558,997 8.038,998 28.976,999 13.864,1000 2.72,1001 8.821,1002 24.624,1003 3.69,1004 15.344,1005 18.055,1006 8.789,1007 31.6,1008 15.063,1009 2.48,1010 7.788,1011 26.607,1012 3.467,1013 16.539,1014 19.471,1015 9.404,1016 34.223,1017 16.241,1018 2.441,1019 7.733,1020 28.6,1021 3.214,1022 17.76,1023 20.954,1024 10.121,1025 36.851,1026 17.445,1027 2.383,1028 6.975,1029 30.601,1030 3.049,1031 18.977,1032 22.402,1033 10.762,1034 39.479,1035 18.646,1036 36901,1037 54714,1038 34.265,1039 59.478,1040 74.936,1041 76.772,1042 76.091,1043 74.141,1044 74.181,1045 88.977,1046 14.222,1047 209.861,1048 71.96,1049 5.588,1050 6.089,1051 7.429,1052 5.604,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 15.596,1059 1.499,1060 1.535,1061 1.522,1062 1.483,1063 1.484,1064 1.78,1065 0.284,1066 4.197,1067 1.439,1068 4.094,1069 4.109,1070 4.335,1071 4.109,1072 7.436,1073 4.057,1074 3.978,1075 4.016,1076 3.905,1077 3.885,1078 7.427,1079 3.88,1080 3.907,1081 3.96,1082 3.803,1083 3.794,1084 7.422,1085 3.789,1086 3.888,1087 3.927,1088 3.793,1089 3.769,1090 4.859,1091 3.766,1092 3.782,1093 3.834,1094 3.653,1095 3.64,1096 4.752,1097 3.633,1098 3.632,1099 3.683,1100 3.541,1101 3.442,1102 4.615,1103 3.459,1104 3.484,1105 3.511,1106 3.498,1107 3.396,1108 4.362,1109 3.373,1110 3.364,1111 3.44,1112 3.239,1113 3.125,1114 4.314,1115 3.137,1116 0.092,1117 0.082,1118 0.153,1119 0.09,1120 0.07,1121 4.588,1122 0.089,1123 4.089,1124 0.04,1125 7.627,1126 0.278,1127 4.486,1128 0.069,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.928,1135 1.902,1136 2.095,1137 2.072,1138 1.483,1139 2.083,1140 1.919,1141 1.897,1142 2.055,1143 2.024,1144 1.381,1145 2.034,1146 1.889,1147 1.833,1148 2.007,1149 1.972,1150 1.25,1151 1.991,1152 1.775,1153 1.725,1154 1.997,1155 1.95,1156 1.211,1157 1.967,1158 1.725,1159 1.691,1160 1.86,1161 1.909,1162 1.191,1163 1.897,1164 1.577,1165 1.523,1166 1.859,1167 1.764,1168 1.135,1169 1.793,1170 1.552,1171 1.507,1172 1.721,1173 1.751,1174 0.916,1175 1.752,1176 1.458,1177 1.44,1178 1.578,1179 1.585,1180 0.854,1181 1.588,1182 4.615,1183 5.932,1184 3.045,1185 7.437,1186 5.352,1187 9.022,1188 7.424,1189 10.649,1197 13.277,1198 9.386,1199 5.518,1201 0.428,1202 2.57,1203 -1.028,1206 55.195,1207 136.008,1208 307.041,1209 424.626,1210 506.6,1211 518.209,1212 518.209,1213 111.152,1214 8.265,1215 99.77,1216 128.01,1217 34,1218 12.975,1219 4.322,1220 3.585,1221 68.25,1222 250,1223 318,1224 0.122,1225 336.753,1226 595.77,1227 813.439,1228 51289,1230 31.064,1231 0.69,1232 0.598,1233 31.418,1234 26.917,1235 21.971,1236 0.439,1237 0.351,1238 16.615,1239 20.886,1240 16.239,1241 13.336,1242 22.379,1243 17.528,1244 19.605,1245 0.284,1246 0.206,1247 20.247,1248 14.236,1249 16.665,1250 0.185,1251 0.123,1252 17.521,1253 11.043,1254 13.529,1255 0.119,1256 0.071,1257 14.371,1258 8.109,1259 10.942,1260 0.079,1261 0.041,1262 11.704,1263 5.647,1264 0.195,1265 140.497,1266 0.171,1267 39.92,1268 0.323,1269 238,1270 598.446,1271 281.387,1272 594.42,1273 804.04,1274 558,1275 278,1276 556.316,1277 320.679,1278 578.749,1279 850.41,1280 547,1281 8.4}
{0 CHEMBL243497,1 1.482,2 17.674,3 5.426,4 29.445,5 184.182,6 6.861,7 0.314,8 4.614,9 4.741,10 4.136,11 4.175,12 5.56,13 4.115,14 5.228,15 5.411,16 4.518,17 4.626,18 6.13,19 4.526,20 5.58,21 5.821,22 4.579,23 4.779,24 6.44,25 4.638,26 5.653,27 5.92,28 4.501,29 4.735,30 6.54,31 4.594,32 5.599,33 5.857,34 4.568,35 4.703,36 6.649,37 4.583,38 5.588,39 5.822,40 4.642,41 4.771,42 6.575,43 4.652,44 5.676,45 5.921,46 4.566,47 4.798,48 6.632,49 4.672,50 5.63,51 5.87,52 4.544,53 4.805,54 6.61,55 4.669,56 0.073,57 1.353,58 22.428,59 9.64,60 10.332,61 12.966,62 0.423,63 2.317,64 43.958,65 17.013,66 42.528,67 23.24,68 0.702,69 3.022,70 66.405,71 22.99,72 71.742,73 32.156,74 0.719,75 3.074,76 71.467,77 23.198,78 87.691,79 32.813,80 1.078,81 2.903,82 67.47,83 21.628,84 165.101,85 30.505,86 0.738,87 3.001,88 69.059,89 22.901,90 97.113,91 31.21,92 0.813,93 3.114,94 73.761,95 24.563,96 113.166,97 33.517,98 0.909,99 3.045,100 67.409,101 23.695,102 137.039,103 32.997,104 10,105 70,106 0.219,107 0.492,108 0.685,109 0.824,110 0.847,111 0.847,112 3.853,113 1.06,114 -4.62,115 -4.54,116 -4.27,119 39.4,121 10,122 2,125 6,126 1,127 1,132 10,133 2,141 2,144 3,155 20,158 5,160 3,162 4,163 23,166 9,168 2,169 2,170 9,173 11,176 9,181 8,183 5,185 3,186 8,189 2,191 8,193 12,196 12,198 2,199 1,200 11,203 15,206 10,211 8,214 19,217 2,218 6,221 1,223 6,224 26,227 10,229 1,231 8,234 24,238 5864,239 31.576,240 31.576,241 31.576,242 31.576,243 31.576,244 29.349,245 29.492,246 18.953,247 32.096,248 25.209,249 25.209,250 25.209,251 25.209,252 25.209,253 21.76,254 29.481,255 9.044,256 26.013,257 5.073,258 3.221,259 1.908,260 0.969,261 0.809,262 0.809,263 4.564,267 1,268 1797,269 5.05,271 288.394,272 756.425,274 252.72,277 2.573,278 49.061,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 98,289 813,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.72,301 6.335,302 3.969,303 3.026,304 3.69,305 1.925,306 9.735,307 2.849,308 4.026,309 3.532,310 6.074,311 3.815,312 2.825,313 3.467,314 1.058,315 8.815,316 2.791,317 3.83,318 2.939,319 5.792,320 3.686,321 2.725,322 3.214,323 0.86,324 7.788,325 2.626,326 3.779,327 2.891,328 5.616,329 3.467,330 2.476,331 3.045,332 0.8,333 7.733,334 2.454,335 3.723,336 2.764,337 5.332,338 3.434,339 2.441,340 2.725,341 0.343,342 6.952,343 2.41,344 3.47,345 2.693,346 5.293,347 3.397,348 2.398,349 2.471,350 0.14,351 6.764,352 2.389,353 3.112,354 2.581,355 4.955,356 3.026,357 2.085,358 2.298,360 5.868,361 1.954,362 3.07,363 2.329,364 4.896,365 2.806,366 1.806,367 2.226,369 4.872,370 1.793,371 3.032,372 2.005,373 4.414,374 2.537,375 1.544,376 2.124,378 4.312,379 1.531,380 2.982,381 1.92,382 4.205,383 2.515,384 1.532,385 2.071,387 3.591,388 1.509,389 2.919,390 1.782,391 4.125,392 2.457,393 1.51,394 2.049,396 3.531,397 1.399,398 2.585,399 1.532,400 3.626,401 2.338,402 1.426,403 1.56,405 3.047,406 1.319,407 2.5,408 1.506,409 3.618,410 2.289,411 1.343,412 1.5,414 2.954,415 1.234,416 2.486,417 1.49,418 3.597,419 2.168,420 1.195,421 1.463,423 2.832,424 1.15,425 22.267,426 0.484,427 0.959,428 0.021,429 47.5,430 1.033,431 18.5,432 0.402,433 29,434 0.63,435 58.581,436 1.273,437 51.533,438 0.548,439 39.598,440 0.861,441 8.304,442 0.181,443 14.167,444 0.308,445 0.045,446 0.022,447 0.243,450 0.727,451 1.277,452 0.85,453 1.078,454 0.527,455 1.036,456 0.821,457 1.168,458 0.965,459 1.056,460 0.543,461 1.08,462 0.896,463 1.103,464 1.006,465 1.076,466 0.825,467 1.066,468 1.229,469 1.016,470 0.978,471 0.935,472 1.323,473 0.935,474 1.204,475 0.889,476 0.872,477 0.794,478 1.297,479 0.828,480 1.208,481 1.066,482 1.066,483 1.071,484 1.385,485 0.999,486 1.492,487 0.994,488 1.078,489 0.969,490 1.667,491 0.955,492 1.206,493 0.964,494 0.988,495 0.922,496 1.298,497 1.005,498 9,499 0.26,500 4.667,501 2.542,502 2.677,503 1.204,504 1.242,505 0.826,506 0.465,507 0.452,508 43715,509 93567,510 2.138,511 51.1,512 5,513 23,516 3,518 17,520 1.835,521 2.052,522 4.042,523 0.647,527 139.303,528 1.482,529 3.334,530 4.646,531 5.585,532 5.746,533 5.746,534 3.495,535 4.958,536 5.49,537 4.268,538 4417.77,539 9.752,540 88483.7,544 616.131,545 1.254,546 5.473,547 0.176,548 0.004,549 0.067,550 0.037,551 0.041,552 0.017,553 0.017,554 0.011,555 0.007,556 0.007,557 0.384,558 0.17,559 0.63,560 0.377,561 273.905,562 -0.019,563 -0.043,564 0.068,565 0.03,566 0.006,567 0.041,568 0.049,569 -0.024,570 -0.003,571 -0.007,572 0.053,573 -0.052,574 0.043,575 -0.063,576 -0.014,577 -0.081,578 0.018,579 -0.075,580 -0.085,581 -0.03,582 0.006,583 -0.003,584 -0.06,585 0.018,586 0.105,587 0.101,588 0.108,589 0.123,590 0.182,591 0.114,592 -0.009,593 -0.026,594 0.006,595 -0.053,596 -0.001,597 -0.02,598 -0.15,599 -0.013,600 -0.062,601 -0.002,602 -0.113,603 0.007,604 -0.04,605 0.034,606 -0.065,607 0.018,608 0.006,609 -0.033,610 2.277,611 6.992,612 0.696,613 70.216,614 0.992,615 1.126,616 3.387,617 11.475,618 0.651,619 3.951,620 4.263,621 4.522,622 4.754,623 4.942,624 4.949,625 5.05,626 5.193,627 5.22,628 5.257,629 10.174,630 0.603,631 644.96,632 3.951,633 5.493,634 6.337,635 7.206,636 8.066,637 8.94,638 9.808,639 10.685,640 11.559,641 12.44,642 4.3,645 1,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 94,672 19,673 2,674 51,676 99,677 37,678 14,679 3,680 9,681 1,683 6,684 7,691 8,692 3,694 11,696 17,697 20,698 3,699 3,703 3,707 3,713 48,714 8,715 3,716 9,717 1,720 4,721 0.833,722 4,732 2,733 4,735 1,742 2,749 1,752 1,753 5,755 1,761 46,766 16,767 3,768 1,770 3,771 1,772 1,774 1,778 4.3,781 3,782 1,785 22.417,786 16.117,787 10.125,788 6.224,789 2.016,790 1.243,791 0.968,792 11.553,793 10.306,794 4.143,795 4.632,796 5.11,797 5.583,798 6.025,799 6.187,800 6.456,801 6.817,802 6.758,803 6.838,804 0.917,805 69,806 17.344,807 7.606,808 7.603,809 34.061,810 29.453,811 2.103,812 96.75,815 529.7,816 190.97,817 57.157,819 86.435,821 31.278,822 159.692,823 616.134,824 57.157,826 96.985,827 94.762,828 100.549,829 8.883,830 2.104,831 560.977,833 529.7,834 216.849,835 86.435,836 31.278,838 329.591,839 275.544,840 11,841 100.109,842 116.739,844 31.278,845 529.7,846 143.591,847 190.97,850 529.7,851 96.207,852 97.887,853 54.032,854 86.435,855 529.7,856 143.591,857 190.97,859 0.576,860 0.336,861 0.179,862 0.096,863 32,864 13,865 0.121,866 12,867 1,868 1.063,869 5.578,870 475.584,871 0.063,872 32,873 238.084,874 1,878 33.272,879 15.973,880 8.845,881 2.056,882 143.591,883 19.601,887 1.433,888 1.572,890 54.032,891 864.261,892 62,896 41.057,900 -0.674,902 93.232,903 105.885,904 0.226,905 0.509,906 0.709,907 0.852,908 0.877,909 0.877,910 5.398,911 2.085,912 6.315,913 6.764,914 4.949,915 5.321,916 2.937,917 7.124,918 4.891,919 6.554,920 1.806,921 7.873,922 5.868,923 4.511,924 5.027,925 2.221,926 8.244,927 4.44,928 7.841,929 1.544,930 9.545,931 4.872,932 6.564,933 7.367,934 3.792,935 11.314,936 6.454,937 9.163,938 1.532,939 11.296,940 4.312,941 7.022,942 7.965,943 3.792,944 13.412,945 6.898,946 10.526,947 1.51,948 13.104,949 3.591,950 8.519,951 9.786,952 4.925,953 16.097,954 8.361,955 11.916,956 1.426,957 14.957,958 3.531,959 9.388,960 10.81,961 5.25,962 18.552,963 9.212,964 13.328,965 1.343,966 16.844,967 3.047,968 10.683,969 12.428,970 6.173,971 21.173,972 10.48,973 3.503,974 1.195,975 18.759,976 2.954,977 11.745,978 13.67,979 6.658,980 23.746,981 11.523,982 3.026,983 13.895,984 20.696,985 2.832,986 12.975,987 15.202,988 7.469,989 26.365,990 12.732,991 2.825,992 9.735,993 22.653,994 4.425,995 14.126,996 16.558,997 8.038,998 28.975,999 13.865,1000 2.725,1001 8.815,1002 24.624,1003 3.69,1004 15.344,1005 18.054,1006 8.789,1007 31.6,1008 15.064,1009 2.476,1010 7.788,1011 26.607,1012 3.467,1013 16.538,1014 19.47,1015 9.404,1016 34.223,1017 16.241,1018 2.441,1019 7.733,1020 28.6,1021 3.214,1022 17.759,1023 20.954,1024 10.121,1025 36.851,1026 17.445,1027 2.398,1028 6.952,1029 30.6,1030 3.045,1031 18.976,1032 22.402,1033 10.762,1034 39.479,1035 18.646,1036 40122,1037 59058,1038 34.959,1039 61.239,1040 76.102,1041 78.01,1042 77.494,1043 75.474,1044 75.502,1045 90.3,1046 14.222,1047 212.515,1048 73.275,1049 5.588,1050 6.089,1051 7.429,1052 5.603,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 15.896,1059 1.492,1060 1.53,1061 1.519,1062 1.48,1063 1.48,1064 1.771,1065 0.279,1066 4.167,1067 1.437,1068 4.094,1069 4.109,1070 4.335,1071 4.109,1072 7.436,1073 4.057,1074 3.978,1075 4.016,1076 3.904,1077 3.886,1078 7.427,1079 3.88,1080 3.912,1081 3.965,1082 3.803,1083 3.797,1084 7.422,1085 3.791,1086 3.889,1087 3.928,1088 3.798,1089 3.775,1090 4.859,1091 3.772,1092 3.787,1093 3.839,1094 3.654,1095 3.649,1096 4.752,1097 3.641,1098 3.655,1099 3.708,1100 3.564,1101 3.461,1102 4.615,1103 3.479,1104 3.485,1105 3.523,1106 3.499,1107 3.396,1108 4.359,1109 3.373,1110 3.438,1111 3.502,1112 3.293,1113 3.235,1114 4.315,1115 3.235,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.588,1122 0.087,1123 4.089,1124 0.039,1125 7.627,1126 0.272,1127 4.486,1128 0.067,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.928,1135 1.902,1136 2.103,1137 2.073,1138 1.497,1139 2.086,1140 1.919,1141 1.897,1142 2.056,1143 2.027,1144 1.392,1145 2.035,1146 1.897,1147 1.841,1148 2.007,1149 1.972,1150 1.251,1151 1.991,1152 1.783,1153 1.733,1154 2.007,1155 1.955,1156 1.211,1157 1.974,1158 1.727,1159 1.693,1160 1.86,1161 1.91,1162 1.191,1163 1.899,1164 1.577,1165 1.536,1166 1.86,1167 1.795,1168 1.135,1169 1.793,1170 1.574,1171 1.507,1172 1.767,1173 1.751,1174 1.024,1175 1.787,1176 1.47,1177 1.454,1178 1.656,1179 1.636,1180 0.886,1181 1.645,1182 4.635,1183 5.948,1184 3.045,1185 7.448,1186 5.352,1187 9.03,1188 7.424,1189 10.654,1197 14.631,1198 9.347,1199 5.52,1201 0.628,1202 2.606,1203 -1.027,1206 56.721,1207 139.303,1208 313.374,1209 436.734,1210 525.012,1211 540.131,1212 540.131,1213 114.408,1214 8.29,1215 99.77,1216 128.01,1217 34,1218 12.977,1219 4.322,1220 3.585,1221 70.67,1222 267,1223 342,1224 0.117,1225 346.346,1226 613.07,1227 836.844,1228 54330,1230 31.771,1231 0.691,1232 0.601,1233 32.125,1234 27.624,1235 22.471,1236 0.441,1237 0.353,1238 17.115,1239 21.383,1240 16.731,1241 13.746,1242 22.879,1243 18.028,1244 19.958,1245 0.285,1246 0.208,1247 20.6,1248 14.571,1249 16.907,1250 0.186,1251 0.124,1252 17.763,1253 11.329,1254 13.759,1255 0.12,1256 0.073,1257 14.601,1258 8.348,1259 10.991,1260 0.079,1261 0.042,1262 11.753,1263 5.774,1264 0.189,1265 143.497,1266 0.169,1267 40.798,1268 0.309,1269 242,1270 602.446,1271 285.387,1272 598.495,1273 809.76,1274 562,1275 282,1276 560.316,1277 324.512,1278 582.69,1279 855.73,1280 551,1281 7.2}
{0 CHEMBL243498,1 1.508,2 16,3 4.459,4 19.887,5 174.688,6 7.01,7 0.327,8 4.555,9 4.679,10 4.098,11 4.119,12 5.519,13 4.063,14 5.166,15 5.344,16 4.49,17 4.57,18 6.089,19 4.477,20 5.517,21 5.754,22 4.56,23 4.721,24 6.402,25 4.591,26 5.586,27 5.842,28 4.483,29 4.691,30 6.508,31 4.561,32 5.556,33 5.809,34 4.545,35 4.671,36 6.626,37 4.552,38 5.549,39 5.781,40 4.606,41 4.701,42 6.57,43 4.591,44 5.568,45 5.8,46 4.52,47 4.713,48 6.569,49 4.602,50 5.558,51 5.798,52 4.531,53 4.757,54 6.543,55 4.63,56 0.06,57 1.275,58 20.599,59 8.941,60 10.276,61 11.894,62 0.395,63 2.189,64 40.698,65 15.791,66 42.323,67 21.363,68 0.693,69 2.872,70 62.457,71 21.2,72 73.095,73 29.487,74 0.757,75 2.922,76 66.972,77 21.577,78 90.281,79 30.17,80 0.955,81 2.789,82 64.402,83 21.44,84 159.469,85 29.68,86 0.778,87 2.822,88 67.247,89 21.814,90 111.818,91 29.101,92 0.839,93 2.865,94 66.506,95 21.578,96 116.207,97 29.137,98 0.76,99 2.906,100 62.212,101 22.139,102 118.807,103 30.845,104 10,105 68,106 0.225,107 0.511,108 0.701,109 0.826,110 0.842,111 0.842,112 3.81,113 1.045,114 -4.26,115 -4.2,116 -3.97,119 39.8,121 9,122 1,125 5,126 2,127 1,132 10,133 2,141 2,144 3,155 17,158 6,160 3,162 4,163 21,166 6,168 2,169 2,170 10,173 11,175 1,176 8,181 6,183 7,185 2,186 9,189 3,191 8,193 9,196 12,198 1,199 1,200 12,203 13,205 1,206 9,211 8,214 16,217 1,218 7,221 2,223 5,224 26,227 9,229 1,231 7,234 24,238 4988,239 30.214,240 30.214,241 30.214,242 30.214,243 30.214,244 27.988,245 31.073,246 18.008,247 30.729,248 24.197,249 24.197,250 24.197,251 24.197,252 24.197,253 20.748,254 37.158,255 8.556,256 25.004,257 4.952,258 3.035,259 1.762,260 0.927,261 0.818,262 0.818,263 4.521,267 1,268 1561,269 4.848,271 269.888,272 706.562,274 236.69,277 2.364,278 49.143,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.83,286 1,287 0.81,288 94,289 704,290 4.588,291 4.089,292 7.627,293 4.486,294 3.503,295 4.425,296 1.985,297 13.895,298 3.437,299 4.471,300 3.721,301 6.335,302 3.969,303 3.026,304 3.69,305 1.925,306 9.735,307 2.849,308 4.029,309 3.532,310 6.143,311 3.834,312 2.875,313 3.467,314 1.058,315 9.055,316 2.797,317 3.87,318 3.119,319 6.076,320 3.799,321 2.822,322 3.214,323 0.86,324 8.82,325 2.711,326 3.83,327 2.891,328 5.792,329 3.451,330 2.46,331 3.049,332 0.8,333 7.733,334 2.435,335 3.778,336 2.765,337 5.342,338 3.433,339 2.44,340 2.866,341 0.343,342 6.959,343 2.405,344 3.417,345 2.693,346 5.279,347 3.357,348 2.36,349 2.421,350 0.14,351 6.722,352 2.348,353 3.091,354 2.506,355 4.894,356 2.808,357 1.843,358 2.298,360 4.859,361 1.792,362 3.032,363 2.297,364 4.449,365 2.721,366 1.764,367 2.223,369 4.502,370 1.657,371 2.982,372 2,373 4.414,374 2.52,375 1.532,376 2.104,378 4.312,379 1.514,380 2.919,381 1.782,382 4.203,383 2.51,384 1.522,385 2.049,387 3.577,388 1.506,389 2.815,390 1.559,391 4.091,392 2.457,393 1.506,394 1.816,396 3.446,397 1.398,398 2.585,399 1.532,400 3.626,401 2.295,402 1.319,403 1.56,405 2.931,406 1.282,407 2.5,408 1.491,409 3.618,410 2.122,411 1.194,412 1.5,414 2.807,415 1.097,416 2.433,417 1.418,418 3.577,419 2.034,420 1.086,421 1.381,423 2.682,424 1.011,425 21.267,426 0.483,427 0.942,428 0.021,429 46.5,430 1.057,431 18.5,432 0.42,433 28,434 0.636,435 54.473,436 1.238,437 48.933,438 0.556,439 39.053,440 0.888,441 8.278,442 0.188,443 13.21,444 0.3,445 0.047,446 0.024,447 0.254,450 0.726,451 1.266,452 0.829,453 1.057,454 0.527,455 1.013,456 0.817,457 1.18,458 0.946,459 1.046,460 0.545,461 1.066,462 0.933,463 1.091,464 1.003,465 1.051,466 0.833,467 1.042,468 1.256,469 1,470 1.017,471 0.938,472 1.356,473 0.954,474 1.091,475 0.911,476 0.851,477 0.849,478 1.251,479 0.866,480 1.4,481 1.053,482 1.058,483 1.025,484 1.554,485 0.949,486 1.556,487 1.006,488 1.141,489 0.971,490 1.73,491 0.971,492 1.004,493 0.955,494 0.93,495 0.92,496 1.077,497 0.986,498 8.5,499 0.266,500 5.111,501 2.417,502 2.517,503 1.496,504 1.099,505 0.821,506 0.56,507 0.402,508 37269,509 82313,510 2.145,511 50,512 4,513 22,516 3,518 11,519 4,520 1.826,521 2.054,522 3.907,523 0.673,527 132.69,528 1.508,529 3.425,530 4.697,531 5.532,532 5.641,533 5.641,534 3.373,535 4.823,536 5.427,537 4.129,538 3906.48,539 9.636,540 74064.7,544 568.43,545 1.285,546 5.408,547 0.173,548 0.004,549 0.075,550 0.036,551 0.039,552 0.022,553 0.015,554 0.012,555 0.008,556 0.006,557 0.391,558 0.17,559 0.75,560 0.388,561 256.694,562 -0.024,563 -0.045,564 0.068,565 0.032,566 0.001,567 0.043,568 0.05,569 -0.041,570 0.004,571 -0.008,572 0.05,573 -0.051,574 0.028,575 -0.044,576 -0.01,577 -0.066,578 0.013,579 -0.061,580 -0.095,581 0.003,582 -0.033,583 -0.006,584 -0.082,585 -0.004,586 0.124,587 0.064,588 0.114,589 0.079,590 0.188,591 0.089,592 -0.057,593 -0.049,594 0.025,595 -0.017,596 -0.036,597 0.018,598 -0.177,599 0.003,600 -0.115,601 -0.006,602 -0.146,603 -0.019,604 -0.004,605 0.055,606 -0.025,607 0.018,608 0.04,609 -0.01,610 2.278,611 6.987,612 0.727,613 61.124,614 0.994,615 1.126,616 3.031,617 9.189,618 0.656,619 3.912,620 4.234,621 4.511,622 4.745,623 4.942,624 4.963,625 5.063,626 5.204,627 5.247,628 5.283,629 9.358,630 0.61,631 616.9,632 3.912,633 5.46,634 6.312,635 7.186,636 8.055,637 8.933,638 9.809,639 10.691,640 11.57,641 12.454,642 4.5,645 1,648 3,653 2,654 10,658 1,659 2,661 16,662 1,670 88,672 19,673 2,674 49,676 93,677 35,678 14,679 3,680 9,681 1,683 6,684 7,691 9,692 2,694 11,696 17,697 18,698 2,699 3,703 3,707 3,713 44,714 8,715 3,716 9,717 1,720 4,721 0.833,722 4,732 2,733 4,735 1,742 2,749 1,752 1,753 5,755 1,761 44,766 14,767 3,768 1,770 3,771 1,772 1,774 1,778 4.5,781 3,782 1,785 21.417,786 15.117,787 9.653,788 5.774,789 2.045,790 1.249,791 0.972,792 10.43,793 10.273,794 4.111,795 4.613,796 5.104,797 5.579,798 6.028,799 6.191,800 6.459,801 6.824,802 6.769,803 6.848,804 0.909,805 68,806 16.591,807 7.327,808 7.631,809 32.428,810 28.114,811 2.131,812 93.75,815 482.615,816 186.33,817 57.157,819 86.435,821 31.278,822 155.052,823 569.05,824 57.157,826 92.345,827 94.762,828 100.549,829 8.883,830 2.104,831 513.893,833 482.615,834 212.208,835 86.435,836 31.278,838 306.049,839 252.001,840 11,841 95.469,842 116.739,844 31.278,845 482.615,846 143.591,847 186.33,850 482.615,851 91.567,852 97.887,853 54.032,854 86.435,855 482.615,856 143.591,857 186.33,859 0.579,860 0.342,861 0.183,862 0.098,863 32,864 13,865 0.108,866 10,867 1,868 1.063,869 5.354,870 457.139,871 0.063,872 32,873 224.215,874 1,878 31.35,879 14.639,880 7.788,881 2.054,882 143.591,883 19.582,887 1.431,888 1.569,890 54.032,891 812.536,892 60,896 41.073,900 -0.678,902 87.465,903 99.055,904 0.233,905 0.53,906 0.727,907 0.856,908 0.873,909 0.873,910 5.371,911 1.843,912 6.297,913 6.722,914 4.92,915 5.301,916 2.937,917 7.122,918 4.859,919 6.534,920 1.764,921 7.867,922 4.859,923 4.511,924 5.027,925 2.221,926 8.272,927 4.433,928 7.828,929 1.532,930 9.552,931 4.502,932 6.553,933 7.362,934 3.792,935 11.344,936 6.434,937 9.157,938 1.522,939 11.314,940 4.312,941 7.04,942 7.972,943 3.792,944 13.447,945 6.902,946 10.526,947 1.506,948 13.132,949 3.577,950 8.529,951 9.789,952 4.925,953 16.128,954 8.357,955 11.921,956 1.319,957 14.991,958 3.446,959 9.416,960 10.817,961 5.25,962 18.577,963 9.223,964 13.337,965 1.194,966 16.882,967 2.931,968 10.707,969 12.432,970 6.173,971 21.193,972 10.487,973 3.503,974 1.086,975 18.799,976 2.807,977 11.776,978 13.675,979 6.658,980 23.76,981 11.537,982 3.026,983 13.895,984 20.736,985 2.682,986 13.004,987 15.205,988 7.469,989 26.375,990 12.743,991 2.875,992 9.735,993 22.69,994 4.425,995 14.157,996 16.561,997 8.038,998 28.982,999 13.878,1000 2.822,1001 9.055,1002 24.658,1003 3.69,1004 15.372,1005 18.056,1006 8.789,1007 31.604,1008 15.075,1009 2.46,1010 8.82,1011 26.638,1012 3.467,1013 16.565,1014 19.472,1015 9.404,1016 34.226,1017 16.252,1018 2.44,1019 7.733,1020 28.627,1021 3.214,1022 17.784,1023 20.955,1024 10.121,1025 36.853,1026 17.455,1027 2.36,1028 6.959,1029 30.625,1030 3.049,1031 18.998,1032 22.402,1033 10.762,1034 39.481,1035 18.655,1036 34133,1037 51005,1038 33.572,1039 57.716,1040 73.841,1041 75.7,1042 75.09,1043 73.127,1044 73.15,1045 87.951,1046 14.222,1047 208.399,1048 70.887,1049 5.588,1050 6.089,1051 7.429,1052 5.604,1053 5.503,1054 7.425,1055 3.48,1056 21.337,1057 5.437,1058 15.319,1059 1.507,1060 1.545,1061 1.532,1062 1.492,1063 1.493,1064 1.795,1065 0.29,1066 4.253,1067 1.447,1068 4.094,1069 4.108,1070 4.335,1071 4.109,1072 7.436,1073 4.056,1074 3.979,1075 4.018,1076 3.905,1077 3.885,1078 7.427,1079 3.88,1080 3.912,1081 3.964,1082 3.803,1083 3.794,1084 7.422,1085 3.79,1086 3.889,1087 3.928,1088 3.803,1089 3.77,1090 4.859,1091 3.769,1092 3.739,1093 3.791,1094 3.62,1095 3.581,1096 4.752,1097 3.578,1098 3.618,1099 3.668,1100 3.516,1101 3.435,1102 4.619,1103 3.449,1104 3.484,1105 3.511,1106 3.495,1107 3.396,1108 4.347,1109 3.373,1110 3.322,1111 3.396,1112 3.216,1113 3.069,1114 4.308,1115 3.088,1116 0.094,1117 0.083,1118 0.156,1119 0.092,1120 0.071,1121 4.588,1122 0.09,1123 4.089,1124 0.041,1125 7.627,1126 0.284,1127 4.486,1128 0.07,1129 3.503,1130 4.425,1131 1.985,1132 13.895,1133 3.437,1134 1.928,1135 1.902,1136 2.094,1137 2.078,1138 1.483,1139 2.087,1140 1.919,1141 1.898,1142 2.055,1143 2.024,1144 1.315,1145 2.033,1146 1.892,1147 1.836,1148 2.007,1149 1.972,1150 1.249,1151 1.991,1152 1.733,1153 1.696,1154 1.949,1155 1.919,1156 1.211,1157 1.926,1158 1.712,1159 1.664,1160 1.86,1161 1.898,1162 1.191,1163 1.894,1164 1.577,1165 1.52,1166 1.858,1167 1.752,1168 1.135,1169 1.793,1170 1.547,1171 1.507,1172 1.716,1173 1.751,1174 0.905,1175 1.742,1176 1.456,1177 1.437,1178 1.53,1179 1.568,1180 0.825,1181 1.575,1182 4.595,1183 5.916,1184 3.045,1185 7.428,1186 5.352,1187 9.022,1188 7.424,1189 10.657,1197 11.941,1198 9.374,1199 5.534,1201 0.308,1202 2.591,1203 -1.028,1206 53.668,1207 132.69,1208 301.392,1209 413.336,1210 486.82,1211 496.43,1212 496.43,1213 107.346,1214 8.227,1215 99.77,1216 128.01,1217 34,1218 12.988,1219 4.322,1220 3.585,1221 65.898,1222 236,1223 290,1224 0.125,1225 327.161,1226 578.47,1227 790.033,1228 47930,1230 30.357,1231 0.69,1232 0.596,1233 30.711,1234 26.21,1235 21.488,1236 0.439,1237 0.348,1238 16.151,1239 20.405,1240 15.796,1241 12.95,1242 21.896,1243 17.062,1244 19.157,1245 0.282,1246 0.202,1247 19.799,1248 13.759,1249 16.515,1250 0.184,1251 0.12,1252 17.371,1253 10.835,1254 13.433,1255 0.118,1256 0.07,1257 14.275,1258 8.014,1259 10.813,1260 0.078,1261 0.039,1262 11.575,1263 5.478,1264 0.199,1265 137.56,1266 0.173,1267 39.073,1268 0.335,1269 234,1270 594.446,1271 277.721,1272 589.91,1273 799.58,1274 554,1275 275,1276 555.669,1277 317.845,1278 576.717,1279 848.92,1280 546,1281 7.9}
{0 CHEMBL243503,1 1.569,2 15.675,3 3.115,4 9.703,5 158.826,6 7.01,7 0.279,8 4.463,9 4.595,10 3.995,11 3.979,12 5.468,13 3.928,14 5.047,15 5.235,16 4.316,17 4.382,18 6.023,19 4.293,20 5.354,21 5.591,22 4.365,23 4.524,24 6.295,25 4.406,26 5.413,27 5.665,28 4.33,29 4.488,30 6.409,31 4.378,32 5.413,33 5.661,34 4.385,35 4.45,36 6.583,37 4.364,38 5.386,39 5.63,40 4.382,41 4.491,42 6.421,43 4.402,44 5.418,45 5.65,46 4.479,47 4.561,48 6.478,49 4.478,50 5.475,51 5.703,52 4.43,53 4.625,54 6.573,55 4.513,56 0.05,57 1.192,58 19.157,59 7.778,60 10.591,61 10.576,62 0.473,63 1.922,64 38.24,65 13.346,66 47.78,67 18.383,68 0.703,69 2.367,70 52.17,71 16.774,72 74.02,73 23.956,74 0.615,75 2.367,76 55.508,77 16.881,78 88.795,79 24.464,80 1.061,81 2.298,82 55.132,83 15.745,84 175.787,85 23.366,86 0.777,87 2.323,88 53.417,89 16.072,90 104.129,91 23.282,92 0.726,93 2.439,94 55.102,95 16.857,96 98.309,97 24.361,98 0.878,99 2.559,100 57.408,101 18.934,102 146.609,103 26.759,104 18,105 57,106 0.24,107 0.53,108 0.732,109 0.835,110 0.84,111 0.84,112 3.717,113 1.071,114 -3.34,115 -3.33,116 -3.19,119 37,121 6,124 1,125 6,126 1,127 1,132 9,133 1,134 2,144 2,145 1,155 12,158 1,160 4,161 1,162 6,163 15,165 1,166 3,168 2,169 2,170 8,173 9,176 9,179 1,181 9,183 1,185 2,186 8,189 3,190 1,191 11,193 3,195 1,196 6,198 1,199 1,200 6,203 9,206 11,209 2,211 9,214 16,217 1,218 5,221 2,222 1,223 6,224 16,226 2,227 4,231 3,234 13,238 3898,239 27.275,240 27.275,241 27.275,242 27.275,243 27.275,244 25.399,245 32.487,246 16.56,247 28,248 21.17,249 21.17,250 21.17,251 21.17,252 21.17,253 18.254,254 39.051,255 7.799,256 22.11,257 4.771,258 2.874,259 1.556,260 0.883,261 0.849,262 0.849,263 4.41,267 1,268 1333,269 5.099,271 140.189,272 519.9,277 2.359,278 46.061,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 86.5,289 627,290 4.567,291 4.327,292 7.625,293 4.481,294 3.499,295 3.694,296 2.95,297 13.886,298 3.433,299 4.057,300 4.089,301 6.074,302 3.815,303 2.825,304 3.634,305 1.986,306 8.815,307 2.792,308 4.023,309 3.72,310 5.553,311 3.641,312 2.682,313 3.467,314 1.926,315 7.556,316 2.569,317 3.784,318 3.508,319 5.34,320 3.441,321 2.522,322 3.055,323 1.652,324 6.966,325 2.403,326 3.641,327 2.885,328 5.295,329 3.402,330 2.406,331 2.897,332 0.86,333 6.77,334 2.305,335 3.52,336 2.772,337 5.234,338 3.267,339 2.328,340 2.521,341 0.8,342 6.585,343 2.176,344 3.299,345 2.701,346 4.949,347 2.886,348 1.914,349 2.495,350 0.376,351 5.338,352 1.834,353 3.063,354 2.614,355 4.679,356 2.802,357 1.815,358 2.116,359 0.248,360 4.724,361 1.777,362 2.922,363 2.354,364 4.141,365 2.602,366 1.633,367 2.042,368 0.092,369 3.634,370 1.581,371 2.65,372 2.177,373 3.693,374 2.476,375 1.51,376 1.648,378 3.23,379 1.456,380 2.5,381 2.008,382 3.639,383 2.296,384 1.36,385 1.5,387 2.953,388 1.263,389 2.5,390 1.678,391 3.618,392 2.155,393 1.185,394 1.5,396 2.639,397 1.132,398 2.458,399 1.491,400 3.561,401 2,402 1,403 1.439,405 2.275,406 1,407 2.28,408 1.418,409 3.414,410 2,411 1,412 1.247,414 2.212,415 1,416 2.188,417 1.256,418 3.359,419 1.952,420 1,421 1.062,423 2.136,424 0.946,425 19.167,426 0.479,427 0.788,428 0.02,429 43,430 1.075,431 17.5,432 0.438,433 25.5,434 0.638,435 44.984,436 1.125,437 45.633,438 0.563,439 37.414,440 0.935,441 8.062,442 0.202,443 11.408,444 0.285,445 0.078,446 0.026,447 0.203,450 0.778,451 1.393,452 0.846,453 1.118,454 0.556,455 1.059,456 0.818,457 1.211,458 1.076,459 1.144,460 0.549,461 1.095,462 1.014,463 1.051,464 1.017,465 1.004,466 0.943,467 1.048,468 1.23,469 1.067,470 0.955,471 0.967,472 1.411,473 0.982,474 1.284,475 0.966,476 0.824,477 0.808,478 1.498,479 0.872,480 1.34,481 0.941,482 0.899,483 0.822,484 1.503,485 0.88,486 1.314,487 0.994,488 0.876,489 0.893,490 1.511,491 0.929,492 1.236,493 1.015,494 0.991,495 0.964,496 1.5,497 1.058,498 8,499 0.305,500 3.778,501 2.125,502 2.089,503 1.191,504 1.024,505 0.666,506 0.415,507 0.384,508 27012,509 66331,510 2.059,511 50.6,512 4,513 25,516 4,518 6,519 2,520 1.805,521 1.959,522 3.861,523 1.431,527 127.052,528 1.569,529 3.466,530 4.784,531 5.457,532 5.491,533 5.491,534 3.378,535 4.753,536 5.286,537 4.063,538 3168.77,539 9.363,540 56826.9,544 513.528,545 1.312,546 5.263,547 0.186,548 0.006,549 0.066,550 0.037,551 0.038,552 0.021,553 0.017,554 0.01,555 0.007,556 0.007,557 0.395,558 0.17,559 0.63,560 0.598,561 227.62,562 -0.044,563 -0.109,564 0.058,565 0.001,566 -0.017,567 0.018,568 0.091,569 -0.042,570 -0.064,571 -0.066,572 0.071,573 -0.07,574 -0.007,575 0.002,576 -0.071,577 -0.048,578 -0.032,579 -0.074,580 -0.1,581 -0.078,582 -0.028,583 -0.06,584 -0.085,585 -0.031,586 0.086,587 -0.006,588 0.067,589 0.039,590 0.147,591 0.049,592 -0.088,593 0.058,594 0.01,595 0.063,596 -0.075,597 0.059,598 -0.09,599 0.022,600 0.021,601 0.012,602 -0.083,603 0.025,604 -0.053,605 -0.011,606 -0.107,607 -0.043,608 -0.024,609 -0.089,610 2.311,611 6.725,612 0.575,613 57.468,614 0.998,615 1.132,616 2.113,617 4.463,618 0.644,619 3.784,620 4.06,621 4.277,622 4.466,623 4.605,624 4.564,625 4.644,626 4.691,627 4.736,628 4.804,629 8.94,630 0.6,631 567.83,632 3.784,633 5.303,634 6.125,635 6.976,636 7.816,637 8.674,638 9.522,639 10.385,640 11.241,641 12.108,642 6.2,645 1,648 4,654 9,659 3,661 12,670 81,672 15,673 2,674 43,676 84,677 30,678 12,679 3,680 9,683 4,684 4,687 1,691 4,692 1,694 7,696 15,697 15,698 1,699 3,703 3,707 3,713 41,714 9,715 4,716 10,717 1,720 5,721 1,722 4,732 1,733 3,742 2,749 1,752 1,753 4,754 1,755 1,757 1,761 40,766 12,767 4,768 1,769 1,770 1,771 1,772 1,778 4.9,781 3,782 1,785 20.417,786 14.117,787 9.069,788 4.988,789 1.357,790 1.182,791 0.945,792 11.871,793 8.826,794 3.97,795 4.407,796 4.787,797 5.168,798 5.561,799 5.437,800 5.611,801 5.763,802 5.832,803 6.011,804 0.909,805 57,806 15.025,807 6.404,808 7.723,809 28.921,810 23.774,811 2.223,812 88.917,815 435.531,816 178.689,817 75.167,819 86.435,821 32.22,822 146.47,823 521.965,824 75.167,825 7.19,826 104.858,827 85.286,828 95.844,829 10.617,830 4.276,831 467.75,833 435.531,834 221.637,835 86.435,836 32.22,838 341.362,839 169.604,840 11,841 107.982,842 113.655,844 32.22,845 435.531,846 161.602,847 178.689,850 435.531,851 86.212,852 95.601,853 72.043,854 86.435,855 435.531,856 161.602,857 178.689,859 0.566,860 0.327,861 0.171,862 0.089,863 23,864 10,865 0.143,866 12,868 1,869 5.021,870 376.811,872 23,873 196.877,874 1,878 30.541,879 15.548,880 9.31,882 161.602,883 17.216,888 2.708,890 72.043,891 775.822,892 52,896 39.983,900 -0.964,902 80.799,903 91.723,904 0.247,905 0.547,906 0.755,907 0.861,908 0.866,909 0.866,910 5.204,911 1.815,912 6.094,913 5.338,914 4.745,915 5.094,916 3.659,917 6.878,918 4.673,919 6.347,920 1.633,921 7.639,922 4.724,923 4.29,924 4.732,925 2.444,926 8.046,927 4.21,928 7.622,929 1.51,930 9.305,931 3.634,932 6.34,933 7.045,934 5.316,935 11.098,936 6.212,937 8.931,938 1.36,939 11.056,940 3.23,941 6.792,942 7.482,943 3.981,944 13.268,945 6.664,946 10.279,947 1.185,948 12.872,949 2.953,950 8.289,951 9.291,952 7.298,953 15.963,954 8.124,955 11.652,956 1,957 14.738,958 2.639,959 9.166,960 10.081,961 5.394,962 18.466,963 9.001,964 13.046,965 1,966 16.643,967 2.275,968 10.466,969 11.681,970 9.394,971 21.102,972 10.277,973 3.499,974 1,975 18.578,976 2.212,977 11.543,978 12.653,979 6.764,980 23.698,981 11.348,982 2.825,983 13.886,984 20.537,985 2.136,986 12.784,987 14.145,988 11.53,989 26.327,990 12.57,991 2.682,992 8.815,993 22.514,994 3.694,995 13.952,996 15.224,997 8.117,998 28.948,999 13.727,1000 2.522,1001 7.556,1002 24.504,1003 3.634,1004 15.182,1005 16.65,1006 13.683,1007 31.577,1008 14.94,1009 2.406,1010 6.966,1011 26.504,1012 3.467,1013 16.391,1014 17.797,1015 9.463,1016 34.205,1017 16.135,1018 2.328,1019 6.77,1020 28.513,1021 3.055,1022 17.625,1023 19.181,1024 15.842,1025 36.835,1026 17.352,1027 1.914,1028 6.585,1029 30.527,1030 2.897,1031 18.854,1032 20.374,1033 10.807,1034 39.465,1035 18.564,1036 25846,1037 40676,1038 28.89,1039 52.199,1040 62.551,1041 67.16,1042 64.853,1043 62.166,1044 62.178,1045 73.803,1046 21.78,1047 169.885,1048 59.877,1049 5.567,1050 6.327,1051 7.427,1052 5.585,1053 5.499,1054 6.694,1055 5.9,1056 21.283,1057 5.433,1058 17.239,1059 1.455,1060 1.562,1061 1.508,1062 1.446,1063 1.446,1064 1.716,1065 0.507,1066 3.951,1067 1.392,1068 4,1069 4.043,1070 4.012,1071 3.901,1072 7.437,1073 3.894,1074 3.908,1075 3.942,1076 3.895,1077 3.854,1078 7.428,1079 3.837,1080 3.874,1081 3.909,1082 3.809,1083 3.785,1084 7.423,1085 3.779,1086 3.823,1087 3.885,1088 3.702,1089 3.621,1090 4.763,1091 3.63,1092 3.671,1093 3.724,1094 3.584,1095 3.467,1096 4.733,1097 3.486,1098 3.485,1099 3.552,1100 3.542,1101 3.304,1102 4.627,1103 3.298,1104 3.426,1105 3.473,1106 3.329,1107 3.247,1108 4.327,1109 3.213,1110 3.223,1111 3.277,1112 3.261,1113 3.071,1114 4.206,1115 3.041,1116 0.106,1117 0.101,1118 0.177,1119 0.104,1120 0.081,1121 4.567,1122 0.086,1123 4.327,1124 0.069,1125 7.625,1126 0.323,1127 4.481,1128 0.08,1129 3.499,1130 3.694,1131 2.95,1132 13.886,1133 3.433,1134 1.927,1135 1.897,1136 2.057,1137 2.034,1138 1.301,1139 2.04,1140 1.888,1141 1.865,1142 1.985,1143 1.994,1144 1.249,1145 1.995,1146 1.766,1147 1.703,1148 1.974,1149 1.983,1150 1.211,1151 1.989,1152 1.709,1153 1.668,1154 1.86,1155 1.895,1156 1.19,1157 1.888,1158 1.583,1159 1.528,1160 1.857,1161 1.813,1162 1.09,1163 1.812,1164 1.577,1165 1.507,1166 1.811,1167 1.751,1168 1.088,1169 1.793,1170 1.447,1171 1.387,1172 1.681,1173 1.657,1174 0.89,1175 1.668,1176 1.266,1177 1.219,1178 1.521,1179 1.495,1180 0.825,1181 1.517,1182 4.466,1183 5.753,1184 2.398,1185 7.228,1186 4.595,1187 8.787,1188 6.605,1189 10.391,1191 1.994,1197 8.617,1198 11.818,1199 5.399,1200 1.626,1201 -0.75,1202 2.33,1203 -1.061,1206 48.636,1207 127.052,1208 280.744,1209 387.515,1210 442.018,1211 444.773,1212 444.773,1213 111.628,1214 7.469,1215 111.8,1216 137.1,1217 23,1218 12.656,1219 4,1220 3.322,1221 72.9,1222 206,1223 252,1224 0.161,1225 303.708,1226 541.23,1227 732.807,1228 17604,1230 28.211,1231 0.705,1232 0.602,1233 28.564,1234 24.064,1235 19.47,1236 0.453,1237 0.357,1238 14.056,1239 18.248,1240 13.645,1241 11.265,1242 20.028,1243 15.357,1244 16.812,1245 0.295,1246 0.198,1247 17.305,1248 11.291,1249 13.748,1250 0.194,1251 0.117,1252 14.24,1253 8.295,1254 10.926,1255 0.127,1256 0.066,1257 11.248,1258 5.667,1259 8.337,1260 0.084,1261 0.036,1262 8.621,1263 3.532,1264 0.257,1265 127.394,1266 0.186,1267 36.348,1268 0.433,1269 200,1270 562.779,1271 238.926,1272 555.192,1273 737.29,1274 520,1275 228,1276 500.541,1277 260.935,1278 515.651,1279 746.86,1280 484,1281 6.5}
{0 CHEMBL243711,1 1.571,2 17.304,3 5.702,4 32.513,5 184.309,6 7.312,7 0.314,8 4.588,9 4.71,10 4.163,11 4.161,12 5.554,13 4.103,14 5.201,15 5.378,16 4.565,17 4.617,18 6.132,19 4.521,20 5.553,21 5.785,22 4.629,23 4.77,24 6.447,25 4.634,26 5.629,27 5.891,28 4.6,29 4.725,30 6.543,31 4.587,32 5.56,33 5.81,34 4.621,35 4.689,36 6.646,37 4.579,38 5.554,39 5.77,40 4.67,41 4.761,42 6.58,43 4.65,44 5.668,45 5.91,46 4.628,47 4.794,48 6.66,49 4.673,50 5.623,51 5.868,52 4.581,53 4.806,54 6.586,55 4.672,56 0.048,57 1.303,58 20.61,59 9.213,60 10.023,61 12.165,62 0.392,63 2.236,64 41.891,65 16.492,66 44.955,67 22.065,68 0.691,69 2.926,70 66.942,71 22.798,72 78.164,73 31.053,74 0.773,75 2.99,76 75.828,77 23.149,78 98.143,79 31.662,80 1.076,81 2.793,82 66.261,83 21.404,84 166.025,85 29.239,86 0.686,87 2.892,88 67.241,89 22.704,90 105.43,91 29.85,92 1.008,93 3.103,94 75.769,95 24.421,96 137.32,97 32.77,98 0.833,99 3.028,100 68.182,101 24.165,102 128.065,103 33.149,104 17,105 71,106 0.233,107 0.516,108 0.711,109 0.837,110 0.845,111 0.845,112 3.853,113 1.059,114 -4.89,115 -4.79,116 -4.5,119 39.6,121 9,122 2,125 6,126 1,127 1,132 9,133 2,134 1,141 2,144 3,155 17,158 5,160 3,162 4,163 22,166 9,168 2,169 2,170 10,173 10,176 8,181 6,183 6,185 3,186 9,189 3,191 8,193 13,196 9,198 1,199 1,200 11,203 15,205 1,206 11,211 8,214 16,217 1,218 8,221 2,223 7,224 24,227 7,231 6,234 24,238 5724,239 31.316,240 31.316,241 31.316,242 31.316,243 31.316,244 29.065,245 31.094,246 18.603,247 31.965,248 25.192,249 25.192,250 25.192,251 25.192,252 25.192,253 21.672,254 30.122,255 8.895,256 26.254,257 4.937,258 3.031,259 1.715,260 0.865,261 0.813,262 0.813,263 4.562,264 1,267 1,268 1755,269 5,271 285.349,272 748.211,274 249.191,277 2.618,278 53.393,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 98.333,289 796,290 4.591,291 4.089,292 7.627,293 4.486,294 3.503,295 4.454,296 1.985,297 13.895,298 3.437,299 4.49,300 3.721,301 6.351,302 3.988,303 3.048,304 3.693,305 1.925,306 9.799,307 2.858,308 4.029,309 3.533,310 6.076,311 3.822,312 2.833,313 3.468,314 1.058,315 8.822,316 2.796,317 3.886,318 3.053,319 5.814,320 3.681,321 2.72,322 3.308,323 0.86,324 7.84,325 2.619,326 3.791,327 2.939,328 5.616,329 3.481,330 2.512,331 3.053,332 0.8,333 7.787,334 2.455,335 3.714,336 2.774,337 5.341,338 3.47,339 2.48,340 2.811,341 0.343,342 6.975,343 2.424,344 3.479,345 2.703,346 5.283,347 3.383,348 2.385,349 2.721,350 0.14,351 6.737,352 2.376,353 3.459,354 2.628,355 4.966,356 3.015,357 2.083,358 2.462,360 5.868,361 1.941,362 3.108,363 2.582,364 4.955,365 2.977,366 2.071,367 2.291,369 5.791,370 1.79,371 3.043,372 2.333,373 4.882,374 2.786,375 1.779,376 2.14,378 4.831,379 1.763,380 3.024,381 2,382 4.402,383 2.516,384 1.531,385 2.06,387 4.288,388 1.513,389 2.917,390 1.918,391 4.181,392 2.463,393 1.517,394 2.045,396 3.452,397 1.404,398 2.643,399 1.669,400 4.094,401 2.321,402 1.42,403 1.622,405 3.381,406 1.298,407 2.5,408 1.506,409 3.618,410 2.29,411 1.344,412 1.5,414 3.042,415 1.229,416 2.445,417 1.491,418 3.594,419 2.114,420 1.147,421 1.43,423 2.866,424 1.089,425 22.481,426 0.489,427 1.065,428 0.023,429 47.75,430 1.038,431 18.5,432 0.402,433 29.25,434 0.636,435 59.301,436 1.289,437 51.319,438 0.564,439 40.299,440 0.876,441 8.367,442 0.182,443 13.998,444 0.304,445 0.076,446 0.022,447 0.262,450 0.7,451 1.27,452 0.741,453 1.021,454 0.521,455 0.994,456 0.791,457 1.157,458 0.841,459 0.997,460 0.529,461 1.036,462 0.892,463 1.127,464 0.962,465 1.074,466 0.827,467 1.071,468 1.187,469 0.992,470 0.838,471 0.866,472 1.297,473 0.896,474 1.113,475 0.845,476 0.747,477 0.746,478 1.251,479 0.789,480 1.21,481 1.153,482 0.971,483 1.099,484 1.508,485 1.033,486 1.299,487 0.983,488 0.925,489 0.943,490 1.492,491 0.946,492 0.98,493 0.938,494 0.817,495 0.884,496 1.024,497 0.959,498 10,499 0.339,500 4.889,501 2.604,502 2.948,503 1.42,504 1.181,505 0.917,506 0.595,507 0.442,508 42461,509 100557,510 2.125,511 49.5,512 4,513 22,516 3,518 16,520 1.836,521 2.022,522 4.005,523 0.669,527 142.959,528 1.571,529 3.477,530 4.793,531 5.642,532 5.695,533 5.695,534 3.485,535 5.072,536 5.49,537 4.227,538 4374.55,539 9.758,540 86506.2,544 592.209,545 1.352,546 5.466,547 0.196,548 0.005,549 0.069,550 0.037,551 0.045,552 0.02,553 0.016,554 0.013,555 0.008,556 0.006,557 0.415,558 0.17,559 0.63,560 0.426,561 272.831,562 -0.027,563 -0.044,564 0.049,565 0.03,566 0.002,567 0.04,568 0.037,569 -0.014,570 0.012,571 0.014,572 0.06,573 -0.034,574 0.023,575 -0.085,576 -0.027,577 -0.092,578 0.011,579 -0.088,580 -0.09,581 0.003,582 0.069,583 0.052,584 -0.072,585 0.05,586 0.106,587 0.152,588 0.127,589 0.162,590 0.182,591 0.15,592 -0.049,593 -0.112,594 -0.03,595 -0.092,596 -0.046,597 -0.061,598 -0.073,599 0.012,600 -0.032,601 -0.001,602 -0.064,603 0.005,604 -0.01,605 0.055,606 -0.006,607 0.037,608 0.037,609 0.012,610 2.308,611 7.028,612 0.696,613 69.268,614 0.996,615 1.125,616 3.655,617 13.362,618 0.663,619 3.951,620 4.277,621 4.533,622 4.771,623 4.977,624 4.997,625 5.1,626 5.263,627 5.293,628 5.338,629 9.912,630 0.616,631 665.37,632 3.951,633 5.501,634 6.347,635 7.222,636 8.085,637 8.964,638 9.835,639 10.717,640 11.594,641 12.478,642 4.4,645 1,648 3,653 2,654 9,658 1,659 3,661 16,662 1,669 1,670 91,672 19,673 2,674 51,676 96,677 36,678 14,679 4,680 8,681 1,683 6,684 7,685 1,691 8,692 3,694 10,696 17,697 19,698 3,699 3,703 3,707 3,713 45,714 8,715 3,716 10,717 2,720 4,721 0.833,722 4,732 2,733 4,735 1,742 2,749 1,752 1,753 5,755 1,758 1,761 46,766 15,767 3,768 1,770 3,771 1,772 1,774 1,777 1,778 4.4,781 3,782 1,785 22.75,786 15.676,787 10.042,788 5.954,789 2.064,790 1.248,791 0.97,792 11.448,793 10.403,794 4.143,795 4.652,796 5.131,797 5.617,798 6.087,799 6.286,800 6.569,801 6.942,802 6.892,803 6.932,804 0.917,805 70,806 17.333,807 7.646,808 7.653,809 33.805,810 29.264,811 2.153,812 99.028,815 494.386,816 182.46,817 57.157,818 39.149,819 86.435,821 31.278,822 151.182,823 619.97,824 57.157,826 94.451,827 85.286,828 100.549,829 12.383,830 2.104,831 525.664,832 39.149,833 494.386,834 208.338,835 86.435,836 70.426,838 306.049,839 263.772,840 11,841 97.575,842 110.764,843 39.149,844 31.278,845 494.386,846 143.591,847 221.608,850 494.386,851 97.173,852 88.411,853 54.032,854 125.583,855 494.386,856 143.591,857 221.608,859 0.581,860 0.337,861 0.178,862 0.098,863 33,864 14,865 0.115,866 11,867 1,868 1.063,869 5.511,870 481.359,871 0.063,872 32,873 238.084,874 1,878 33.547,879 15.698,880 8.774,881 1.862,882 143.591,883 17.159,887 1.362,888 2.123,890 54.032,891 859.586,892 62,896 41.212,900 -0.746,902 90.672,903 102.414,904 0.241,905 0.534,906 0.737,907 0.867,908 0.875,909 0.875,910 5.407,911 2.083,912 6.337,913 6.737,914 4.963,915 5.34,916 2.937,917 7.152,918 4.888,919 6.575,920 2.071,921 7.901,922 5.868,923 4.575,924 5.112,925 2.221,926 8.272,927 4.468,928 7.871,929 1.779,930 9.576,931 5.791,932 6.589,933 7.408,934 3.792,935 11.338,936 6.456,937 9.199,938 1.531,939 11.327,940 4.831,941 7.066,942 8.039,943 3.792,944 13.423,945 6.912,946 10.566,947 1.517,948 13.132,949 4.288,950 8.545,951 9.837,952 4.925,953 16.108,954 8.364,955 11.958,956 1.42,957 14.98,958 3.452,959 9.419,960 10.877,961 5.25,962 18.558,963 9.22,964 13.371,965 1.344,966 16.863,967 3.381,968 10.707,969 12.485,970 6.173,971 21.178,972 10.484,973 3.503,974 1.147,975 18.775,976 3.042,977 11.769,978 13.737,979 6.658,980 23.749,981 11.529,982 3.048,983 13.895,984 20.709,985 2.866,986 12.996,987 15.266,988 7.469,989 26.367,990 12.736,991 2.833,992 9.799,993 22.663,994 4.454,995 14.146,996 16.631,997 8.038,998 28.977,999 13.869,1000 2.72,1001 8.822,1002 24.632,1003 3.693,1004 15.362,1005 18.129,1006 8.789,1007 31.601,1008 15.067,1009 2.512,1010 7.84,1011 26.613,1012 3.468,1013 16.555,1014 19.553,1015 9.404,1016 34.224,1017 16.245,1018 2.48,1019 7.787,1020 28.605,1021 3.308,1022 17.774,1023 21.04,1024 10.121,1025 36.852,1026 17.449,1027 2.385,1028 6.975,1029 30.605,1030 3.053,1031 18.99,1032 22.495,1033 10.762,1034 39.48,1035 18.649,1036 39098,1037 60629,1038 34.671,1039 60.336,1040 76.566,1041 78.847,1042 77.987,1043 76.076,1044 75.906,1045 90.91,1046 14.222,1047 216.349,1048 72.836,1049 5.591,1050 6.089,1051 7.429,1052 5.61,1053 5.503,1054 7.454,1055 3.48,1056 21.337,1057 5.437,1058 18.776,1059 1.501,1060 1.546,1061 1.529,1062 1.492,1063 1.488,1064 1.783,1065 0.279,1066 4.242,1067 1.428,1068 4.096,1069 4.108,1070 4.353,1071 4.114,1072 7.436,1073 4.062,1074 3.978,1075 4.016,1076 3.905,1077 3.885,1078 7.427,1079 3.88,1080 3.907,1081 3.96,1082 3.824,1083 3.794,1084 7.422,1085 3.79,1086 3.889,1087 3.927,1088 3.795,1089 3.769,1090 4.978,1091 3.766,1092 3.782,1093 3.834,1094 3.77,1095 3.64,1096 4.753,1097 3.633,1098 3.632,1099 3.683,1100 3.653,1101 3.442,1102 4.615,1103 3.459,1104 3.492,1105 3.51,1106 3.538,1107 3.423,1108 4.533,1109 3.394,1110 3.364,1111 3.44,1112 3.253,1113 3.125,1114 4.36,1115 3.138,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.591,1122 0.087,1123 4.089,1124 0.039,1125 7.627,1126 0.272,1127 4.486,1128 0.067,1129 3.503,1130 4.454,1131 1.985,1132 13.895,1133 3.437,1134 1.928,1135 1.902,1136 2.095,1137 2.072,1138 1.483,1139 2.083,1140 1.914,1141 1.897,1142 2.055,1143 2.024,1144 1.381,1145 2.034,1146 1.889,1147 1.833,1148 1.997,1149 1.957,1150 1.25,1151 1.974,1152 1.775,1153 1.725,1154 1.969,1155 1.95,1156 1.211,1157 1.967,1158 1.725,1159 1.691,1160 1.86,1161 1.907,1162 1.191,1163 1.897,1164 1.577,1165 1.523,1166 1.858,1167 1.764,1168 1.135,1169 1.793,1170 1.552,1171 1.507,1172 1.721,1173 1.751,1174 0.916,1175 1.751,1176 1.457,1177 1.44,1178 1.578,1179 1.583,1180 0.854,1181 1.586,1182 4.635,1183 5.958,1184 3.045,1185 7.466,1186 5.352,1187 9.053,1188 7.424,1189 10.683,1192 6.161,1197 13.121,1198 9.352,1199 5.517,1201 0.397,1202 2.566,1203 -1.058,1206 56.022,1207 142.959,1208 316.421,1209 436.17,1210 513.454,1211 518.209,1212 518.209,1213 117.853,1214 8.339,1215 99.77,1216 128.01,1217 34,1218 13.013,1219 4.322,1220 3.585,1221 70.589,1222 261,1223 330,1224 0.121,1225 345.086,1226 610.98,1227 833.771,1228 56199,1229 1.1,1230 31.934,1231 0.694,1232 0.608,1233 32.788,1234 27.974,1235 22.365,1236 0.439,1237 0.353,1238 16.745,1239 20.971,1240 16.332,1241 13.386,1242 23.062,1243 18.005,1244 20.238,1245 0.285,1246 0.209,1247 21.289,1248 14.817,1249 17.001,1250 0.185,1251 0.123,1252 18.1,1253 11.316,1254 13.784,1255 0.118,1256 0.072,1257 14.962,1258 8.408,1259 11.215,1260 0.078,1261 0.041,1262 12.261,1263 5.867,1264 0.194,1265 146.035,1266 0.17,1267 40.62,1268 0.321,1269 244,1270 632.65,1271 302.907,1272 656.577,1273 875.41,1274 614,1275 285,1276 583.179,1277 337.437,1278 615.398,1279 904,1280 581,1281 9}
{0 CHEMBL243725,1 1.593,2 15,3 3.151,4 9.931,5 158.328,6 8.411,7 0.286,8 4.416,9 4.548,10 4.083,11 3.953,12 5.428,13 3.897,14 5.002,15 5.188,16 4.489,17 4.376,18 5.997,19 4.275,20 5.33,21 5.57,22 4.538,23 4.531,24 6.274,25 4.384,26 5.369,27 5.624,28 4.413,29 4.459,30 6.37,31 4.333,32 5.348,33 5.592,34 4.474,35 4.401,36 6.548,37 4.322,38 5.342,39 5.579,40 4.467,41 4.483,42 6.396,43 4.384,44 5.394,45 5.625,46 4.668,47 4.554,48 6.462,49 4.464,50 5.44,51 5.667,52 4.497,53 4.617,54 6.535,55 4.491,56 0.043,57 1.128,58 15.114,59 7.345,60 9.74,61 9.722,62 0.443,63 1.838,64 33.276,65 13.06,66 46.886,67 17.218,68 0.693,69 2.309,70 63.543,71 18.473,72 76.436,73 23.672,74 0.606,75 2.265,76 65.885,77 18.037,78 89.753,79 23.507,80 1.029,81 2.179,82 54.94,83 15.388,84 174.224,85 21.464,86 0.755,87 2.248,88 57.019,89 16.862,90 104.228,91 22.269,92 0.665,93 2.384,94 60.28,95 17.594,96 100.505,97 23.824,98 0.863,99 2.489,100 60.066,101 19.718,102 145.649,103 25.984,104 17,105 56,106 0.246,107 0.538,108 0.725,109 0.834,110 0.839,111 0.839,112 3.693,113 1.056,114 -3.53,115 -3.51,116 -3.35,119 37.7,121 6,125 6,126 1,127 1,132 9,133 1,134 2,144 2,145 1,155 12,158 1,160 4,161 1,162 6,163 15,165 1,166 3,168 2,169 2,170 8,173 9,176 9,179 1,181 9,183 1,185 2,186 8,189 3,190 1,191 11,193 3,195 1,196 6,198 1,199 1,200 6,203 9,206 11,209 2,211 9,214 16,217 1,218 5,221 2,222 1,223 6,224 16,226 2,227 4,231 3,234 13,238 3656,239 26.404,240 26.404,241 26.404,242 26.404,243 26.404,244 24.476,245 31.919,246 16.061,247 27.067,248 20.743,249 20.743,250 20.743,251 20.743,252 20.743,253 17.831,254 38.47,255 7.66,256 21.839,257 4.674,258 2.783,259 1.575,260 0.867,261 0.831,262 0.831,263 4.385,267 1,268 1247,269 5,271 135.817,272 504.883,277 2.205,278 45.891,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 83.9,289 585,290 4.567,291 4.089,292 7.625,293 4.481,294 3.499,295 3.692,296 1.986,297 13.886,298 3.433,299 4.041,300 3.72,301 6.074,302 3.815,303 2.825,304 3.617,305 1.926,306 8.815,307 2.792,308 4.02,309 3.509,310 5.521,311 3.609,312 2.659,313 3.467,314 1.652,315 7.469,316 2.52,317 3.784,318 2.885,319 5.34,320 3.441,321 2.522,322 3.055,323 0.86,324 6.966,325 2.403,326 3.609,327 2.84,328 5.294,329 3.402,330 2.406,331 2.864,332 0.8,333 6.769,334 2.305,335 3.52,336 2.767,337 5.068,338 3.177,339 2.265,340 2.521,341 0.376,342 6.047,343 2.054,344 3.265,345 2.696,346 4.889,347 2.833,348 1.88,349 2.467,350 0.248,351 5.212,352 1.8,353 3.062,354 2.357,355 4.648,356 2.762,357 1.807,358 2.116,359 0.092,360 4.708,361 1.581,362 2.922,363 2.177,364 4.141,365 2.602,366 1.633,367 2.041,369 3.634,370 1.474,371 2.65,372 2.008,373 3.693,374 2.476,375 1.51,376 1.648,378 3.23,379 1.456,380 2.5,381 1.678,382 3.636,383 2.295,384 1.36,385 1.5,387 2.953,388 1.26,389 2.5,390 1.491,391 3.618,392 2.154,393 1.184,394 1.5,396 2.637,397 1.129,398 2.458,399 1.418,400 3.56,401 2,402 1,403 1.439,405 2.275,406 1,407 2.279,408 1.256,409 3.414,410 2,411 1,412 1.246,414 2.211,415 1,416 2.188,417 1,418 3.358,419 1.952,420 1,421 1.061,423 2.136,424 0.946,425 19.476,426 0.499,427 0.826,428 0.021,429 42,430 1.077,431 17,432 0.436,433 25,434 0.641,435 44.958,436 1.153,437 43.524,438 0.565,439 34.821,440 0.893,441 7.866,442 0.202,443 11.066,444 0.284,445 0.136,446 0.026,447 0.2,450 0.778,451 1.376,452 0.51,453 0.8,454 0.547,455 0.982,456 0.808,457 1.185,458 0.57,459 0.789,460 0.546,461 1.028,462 0.996,463 1.037,464 0.807,465 0.892,466 0.926,467 1.023,468 1.236,469 1.036,470 0.634,471 0.788,472 1.407,473 0.926,474 1.336,475 0.955,476 0.297,477 0.555,478 1.528,479 0.809,480 1.351,481 0.932,482 0.483,483 0.647,484 1.511,485 0.858,486 1.282,487 0.992,488 0.421,489 0.694,490 1.465,491 0.889,492 1.203,493 0.991,494 0.468,495 0.714,496 1.451,497 1.02,498 8,499 0.288,500 3.778,501 2.125,502 2.049,503 1.129,504 1.024,505 0.635,506 0.415,507 0.384,508 25133,509 66198,510 2.061,511 49.4,512 4,513 22,516 4,518 6,519 2,520 1.799,521 1.958,522 3.805,523 1.453,526 1,527 122.63,528 1.593,529 3.484,530 4.692,531 5.4,532 5.436,533 5.436,534 3.314,535 4.824,536 5.251,537 4.01,538 2971.12,539 9.294,540 52146.1,544 482.543,545 1.331,546 5.225,547 0.19,548 0.006,549 0.067,550 0.039,551 0.039,552 0.02,553 0.017,554 0.01,555 0.007,556 0.007,557 0.402,558 0.17,559 0.75,560 0.472,561 219.879,562 -0.049,563 -0.122,564 0.002,565 -0.013,566 -0.013,567 0.011,568 0.092,569 -0.041,570 0.006,571 -0.004,572 0.069,573 -0.068,574 -0.004,575 -0.001,576 -0.027,577 -0.026,578 -0.033,579 -0.071,580 -0.099,581 -0.062,582 -0.016,583 -0.025,584 -0.083,585 -0.005,586 0.07,587 0.008,588 0.032,589 0.041,590 0.146,591 0.062,592 -0.102,593 0.068,594 -0.006,595 0.042,596 -0.089,597 0.044,598 -0.095,599 0.006,600 0.036,601 -0.004,602 -0.074,603 0.029,604 -0.059,605 0.004,606 -0.028,607 -0.023,608 -0.04,609 -0.093,610 2.307,611 6.688,612 0.59,613 53.711,614 0.999,615 1.131,616 2.303,617 5.303,618 0.668,619 3.761,620 4.043,621 4.248,622 4.443,623 4.585,624 4.522,625 4.605,626 4.654,627 4.718,628 4.754,629 8.678,630 0.613,631 647.62,632 3.761,633 5.283,634 6.103,635 6.956,636 7.794,637 8.652,638 9.5,639 10.364,640 11.219,641 12.086,642 6.5,645 1,648 4,654 9,659 3,661 12,669 1,670 77,672 15,673 2,674 42,676 80,677 29,678 12,679 3,680 9,683 4,684 4,687 1,691 4,692 1,694 7,696 15,697 14,698 1,699 3,703 3,707 3,713 38,714 9,715 4,716 10,717 1,718 1,720 5,721 1,722 4,732 1,733 3,742 2,749 1,752 1,753 4,760 1,761 39,766 12,767 4,768 1,770 1,771 1,772 1,777 1,778 5.2,781 3,782 1,785 19.917,786 13.093,787 8.736,788 4.815,789 1.331,790 1.18,791 0.957,792 11.585,793 8.738,794 3.951,795 4.394,796 4.762,797 5.142,798 5.534,799 5.36,800 5.527,801 5.697,802 5.812,803 5.96,804 1,805 55,806 14.65,807 6.265,808 7.736,809 28.162,810 23.211,811 2.236,812 87.203,815 400.217,816 196.17,817 75.167,819 86.435,821 56.782,822 139.388,823 486.652,824 75.167,826 104.858,827 85.286,828 95.844,829 10.726,830 4.276,831 456.999,833 400.217,834 214.555,835 86.435,837 56.782,838 306.049,839 169.604,840 11,841 107.982,842 106.573,844 56.782,845 400.217,846 161.602,847 139.388,848 56.782,850 400.217,851 54.102,852 145.193,853 72.043,854 86.435,855 400.217,856 161.602,857 139.388,858 56.782,859 0.57,860 0.324,861 0.17,862 0.09,863 23,864 10,865 0.138,866 11,868 1,869 4.939,870 365.136,872 23,873 190.131,878 29.932,879 15.095,880 9.25,882 161.602,883 17.11,888 2.671,890 72.043,891 757.99,892 51,896 39.856,900 -0.965,902 76.909,903 87.108,904 0.254,905 0.556,906 0.749,907 0.862,908 0.867,909 0.867,910 5.187,911 1.807,912 6.075,913 5.212,914 4.727,915 5.081,916 3.064,917 6.86,918 4.641,919 6.334,920 1.633,921 7.62,922 4.708,923 4.29,924 4.732,925 2.444,926 8.028,927 4.155,928 7.61,929 1.51,930 9.286,931 3.634,932 6.323,933 7.033,934 3.952,935 11.083,936 6.178,937 8.92,938 1.36,939 11.038,940 3.23,941 6.781,942 7.47,943 3.981,944 13.258,945 6.624,946 10.267,947 1.184,948 12.856,949 2.953,950 8.273,951 9.277,952 5.073,953 15.957,954 8.096,955 11.639,956 1,957 14.723,958 2.637,959 9.154,960 10.063,961 5.394,962 18.463,963 8.975,964 13.033,965 1,966 16.63,967 2.275,968 10.454,969 11.664,970 6.291,971 21.1,972 10.257,973 3.499,974 1,975 18.568,976 2.211,977 11.534,978 12.631,979 6.764,980 23.697,981 11.332,982 2.825,983 13.886,984 20.528,985 2.136,986 12.776,987 14.125,988 7.559,989 26.326,990 12.557,991 2.659,992 8.815,993 22.507,994 3.692,995 13.945,996 15.199,997 8.117,998 28.947,999 13.717,1000 2.522,1001 7.469,1002 24.499,1003 3.617,1004 15.176,1005 16.627,1006 8.857,1007 31.577,1008 14.932,1009 2.406,1010 6.966,1011 26.5,1012 3.467,1013 16.387,1014 17.769,1015 9.463,1016 34.205,1017 16.129,1018 2.265,1019 6.769,1020 28.51,1021 3.055,1022 17.621,1023 19.154,1024 10.173,1025 36.835,1026 17.347,1027 1.88,1028 6.047,1029 30.525,1030 2.864,1031 18.851,1032 20.343,1033 10.807,1034 39.465,1035 18.561,1036 23982,1037 39142,1038 28.197,1039 51.449,1040 61.527,1041 63.391,1042 63.392,1043 61.275,1044 61.058,1045 72.698,1046 15.88,1047 167.127,1048 58.077,1049 5.567,1050 6.089,1051 7.427,1052 5.585,1053 5.499,1054 6.692,1055 3.481,1056 21.283,1057 5.433,1058 16.884,1059 1.465,1060 1.509,1061 1.509,1062 1.459,1063 1.454,1064 1.731,1065 0.378,1066 3.979,1067 1.383,1068 3.998,1069 4.041,1070 10.695,1071 4.021,1072 7.437,1073 3.895,1074 3.906,1075 3.941,1076 3.915,1077 3.88,1078 7.428,1079 3.842,1080 3.871,1081 3.907,1082 3.821,1083 3.791,1084 7.423,1085 3.781,1086 3.823,1087 3.885,1088 3.753,1089 3.621,1090 4.763,1091 3.63,1092 3.671,1093 3.724,1094 3.702,1095 3.468,1096 4.736,1097 3.486,1098 3.485,1099 3.552,1100 3.578,1101 3.4,1102 4.627,1103 3.298,1104 3.413,1105 3.461,1106 3.33,1107 3.304,1108 4.327,1109 3.196,1110 3.202,1111 3.242,1112 3.313,1113 3.072,1114 4.205,1115 2.988,1116 0.109,1117 0.097,1118 0.182,1119 0.107,1120 0.083,1121 4.567,1122 0.088,1123 4.089,1124 0.047,1125 7.625,1126 0.331,1127 4.481,1128 0.082,1129 3.499,1130 3.692,1131 1.986,1132 13.886,1133 3.433,1134 1.927,1135 1.897,1136 2.057,1137 2.034,1138 1.301,1139 2.039,1140 1.887,1141 1.862,1142 1.985,1143 1.994,1144 1.249,1145 1.995,1146 1.766,1147 1.703,1148 1.958,1149 1.977,1150 1.211,1151 1.983,1152 1.709,1153 1.668,1154 1.86,1155 1.892,1156 1.19,1157 1.886,1158 1.583,1159 1.528,1160 1.856,1161 1.813,1162 1.09,1163 1.812,1164 1.577,1165 1.507,1166 1.811,1167 1.751,1168 1.076,1169 1.793,1170 1.447,1171 1.387,1172 1.681,1173 1.656,1174 0.89,1175 1.667,1176 1.185,1177 1.144,1178 1.513,1179 1.474,1180 0.825,1181 1.441,1182 4.443,1183 5.733,1184 2.398,1185 7.209,1186 4.595,1187 8.767,1188 6.605,1189 10.371,1194 2.205,1197 8.626,1198 11.78,1199 5.395,1201 -0.748,1202 2.329,1203 -1.057,1206 47.239,1207 122.63,1208 268.268,1209 361.284,1210 415.788,1211 418.543,1212 418.543,1213 107.465,1214 7.407,1215 111.8,1216 111.8,1217 23,1218 12.634,1219 4,1220 3.322,1221 70.019,1222 194,1223 229,1224 0.164,1225 300.569,1226 530.7,1227 725.15,1228 16175,1229 1.3,1230 27.504,1231 0.705,1232 0.625,1233 29.004,1234 24.374,1235 18.932,1236 0.451,1237 0.352,1238 13.591,1239 17.514,1240 13.303,1241 10.939,1242 19.798,1243 14.788,1244 16.643,1245 0.297,1246 0.204,1247 17.867,1248 11.435,1249 13.339,1250 0.193,1251 0.116,1252 14.205,1253 8.024,1254 10.615,1255 0.126,1256 0.065,1257 11.115,1258 5.478,1259 8.239,1260 0.085,1261 0.037,1262 8.946,1263 3.564,1264 0.26,1265 132.157,1266 0.188,1267 35.564,1268 0.441,1269 196,1270 557.567,1271 364.894,1272 570.983,1273 748.29,1274 532,1275 223,1276 494.136,1277 290.403,1278 511.623,1279 742.62,1280 482,1281 6.4}
{0 CHEMBL244362,1 1.571,2 17.304,3 5.786,4 33.478,5 187.127,6 7.8,7 0.314,8 4.587,9 4.709,10 4.219,11 4.169,12 5.545,13 4.106,14 5.2,15 5.377,16 4.639,17 4.626,18 6.12,19 4.525,20 5.552,21 5.784,22 4.704,23 4.782,24 6.435,25 4.638,26 5.628,27 5.89,28 4.73,29 4.738,30 6.534,31 4.592,32 5.559,33 5.809,34 4.691,35 4.698,36 6.639,37 4.583,38 5.553,39 5.77,40 4.707,41 4.767,42 6.575,43 4.652,44 5.668,45 5.909,46 4.715,47 4.798,48 6.644,49 4.675,50 5.622,51 5.867,52 4.621,53 4.812,54 6.582,55 4.674,56 0.054,57 1.301,58 19.726,59 9.268,60 9.88,61 12.164,62 0.398,63 2.245,64 41.825,65 16.74,66 43.286,67 22.131,68 0.684,69 2.956,70 72.632,71 23.519,72 74.012,73 31.318,74 0.758,75 3.028,76 87.109,77 24.183,78 94.258,79 31.934,80 1.075,81 2.82,82 68.836,83 21.916,84 163.677,85 29.391,86 0.685,87 2.911,88 69.473,89 23.136,90 102.512,91 29.959,92 0.959,93 3.13,94 80.26,95 24.77,96 126.026,97 32.807,98 0.827,99 3.049,100 71.313,101 24.605,102 124.906,103 33.282,104 17,105 71,106 0.233,107 0.516,108 0.711,109 0.837,110 0.845,111 0.845,112 3.853,113 1.084,114 -4.97,115 -4.88,116 -4.57,118 1,119 39.6,121 9,122 2,125 6,126 1,127 1,132 9,133 2,134 1,141 2,144 3,155 17,158 5,160 3,162 4,163 22,166 9,168 2,169 2,170 10,173 10,176 8,181 6,183 6,185 3,186 9,189 3,191 8,193 13,196 9,198 1,199 1,200 11,203 15,205 1,206 11,211 8,214 16,217 1,218 8,221 2,223 7,224 24,227 7,231 6,234 24,238 5724,239 31.316,240 31.316,241 31.316,242 31.316,243 31.316,244 29.065,245 31.136,246 18.603,247 31.992,248 25.192,249 25.192,250 25.192,251 25.192,252 25.192,253 21.672,254 30.156,255 8.895,256 26.31,257 4.937,258 3.031,259 1.715,260 0.865,261 0.813,262 0.813,263 4.562,267 1,268 1755,269 5,271 285.349,272 748.211,274 249.191,277 2.618,278 50.969,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.71,288 97.75,289 796,290 4.591,291 4.089,292 7.627,293 4.486,294 3.503,295 4.454,296 1.985,297 13.895,298 3.437,299 4.49,300 3.721,301 6.351,302 3.987,303 3.048,304 3.693,305 1.925,306 9.799,307 2.855,308 4.029,309 3.532,310 6.076,311 3.822,312 2.833,313 3.468,314 1.058,315 8.822,316 2.796,317 3.886,318 3.036,319 5.814,320 3.681,321 2.72,322 3.308,323 0.86,324 7.84,325 2.619,326 3.791,327 2.939,328 5.616,329 3.479,330 2.512,331 3.053,332 0.8,333 7.787,334 2.455,335 3.714,336 2.773,337 5.341,338 3.47,339 2.48,340 2.811,341 0.343,342 6.975,343 2.419,344 3.479,345 2.701,346 5.283,347 3.383,348 2.385,349 2.721,350 0.14,351 6.737,352 2.375,353 3.459,354 2.607,355 4.966,356 3.014,357 2.083,358 2.462,360 5.868,361 1.941,362 3.108,363 2.582,364 4.955,365 2.963,366 2.071,367 2.291,369 5.791,370 1.781,371 3.043,372 2.333,373 4.882,374 2.786,375 1.779,376 2.14,378 4.831,379 1.709,380 3.024,381 2,382 4.402,383 2.516,384 1.531,385 2.06,387 4.288,388 1.513,389 2.917,390 1.918,391 4.181,392 2.463,393 1.517,394 2.045,396 3.452,397 1.404,398 2.643,399 1.667,400 4.094,401 2.321,402 1.42,403 1.622,405 3.381,406 1.296,407 2.5,408 1.506,409 3.618,410 2.29,411 1.344,412 1.5,414 3.042,415 1.229,416 2.445,417 1.491,418 3.594,419 2.114,420 1.147,421 1.43,423 2.866,424 1.086,425 23.1,426 0.502,427 1.065,428 0.023,429 47.5,430 1.033,431 18.5,432 0.402,433 29,434 0.63,435 61.371,436 1.334,437 50.7,438 0.557,439 38.229,440 0.831,441 8.096,442 0.176,443 14.269,444 0.31,445 0.101,446 0.022,447 0.255,450 0.715,451 1.255,452 0.584,453 0.96,454 0.524,455 0.978,456 0.808,457 1.142,458 0.65,459 0.94,460 0.536,461 1.019,462 0.899,463 1.122,464 0.837,465 1.042,466 0.83,467 1.063,468 1.229,469 0.982,470 0.626,471 0.819,472 1.333,473 0.885,474 1.158,475 0.835,476 0.534,477 0.702,478 1.293,479 0.776,480 1.258,481 1.147,482 0.666,483 1.038,484 1.558,485 1.02,486 1.378,487 0.988,488 0.597,489 0.895,490 1.568,491 0.932,492 1.016,493 0.933,494 0.574,495 0.837,496 1.052,497 0.946,498 10,499 0.339,500 4.889,501 2.604,502 2.948,503 1.42,504 1.181,505 0.917,506 0.595,507 0.442,508 42461,509 100557,510 2.125,511 49.5,512 4,513 22,516 3,518 16,520 1.836,521 2.022,522 4.005,523 0.669,527 142.959,528 1.571,529 3.477,530 4.793,531 5.642,532 5.695,533 5.695,534 3.485,535 5.072,536 5.49,537 4.227,538 4374.55,539 9.758,540 86506.2,544 592.209,545 1.352,546 5.466,547 0.196,548 0.005,549 0.069,550 0.037,551 0.045,552 0.02,553 0.016,554 0.013,555 0.008,556 0.006,557 0.415,558 0.17,559 0.63,560 0.426,561 272.831,562 -0.026,563 -0.042,564 0.02,565 0.027,566 0.003,567 0.039,568 0.041,569 -0.007,570 0.015,571 0.021,572 0.058,573 -0.031,574 0.029,575 -0.082,576 -0.023,577 -0.084,578 0.014,579 -0.086,580 -0.096,581 0.013,582 0.076,583 0.068,584 -0.073,585 0.053,586 0.114,587 0.162,588 0.083,589 0.163,590 0.19,591 0.152,592 -0.047,593 -0.111,594 -0.023,595 -0.086,596 -0.043,597 -0.06,598 -0.096,599 0.005,600 0.01,601 -0.003,602 -0.088,603 0.006,604 -0.008,605 0.057,606 -0.003,607 0.036,608 0.042,609 0.012,610 2.291,611 7.04,612 0.696,613 69.268,614 0.995,615 1.124,616 3.743,617 14.012,618 0.668,619 3.951,620 4.277,621 4.533,622 4.771,623 4.977,624 4.997,625 5.1,626 5.263,627 5.293,628 5.338,629 9.912,630 0.618,631 709.82,632 3.951,633 5.501,634 6.347,635 7.222,636 8.085,637 8.964,638 9.835,639 10.717,640 11.594,641 12.478,642 4.4,645 1,648 3,653 2,654 9,658 1,659 3,661 16,662 1,669 1,670 91,672 19,673 2,674 51,675 1,676 96,677 36,678 14,679 4,680 8,681 1,683 6,684 7,691 8,692 3,694 10,696 17,697 19,698 3,699 3,703 3,707 3,713 45,714 8,715 3,716 10,717 2,720 4,721 0.833,722 4,732 2,733 4,735 1,742 2,749 1,752 1,753 5,755 1,756 1,761 46,766 15,767 3,768 1,770 3,771 1,772 1,774 1,777 1,778 4.4,781 3,782 1,785 22.75,786 15.676,787 10.042,788 5.954,789 2.064,790 1.248,791 0.973,792 11.608,793 10.403,794 4.143,795 4.652,796 5.131,797 5.617,798 6.087,799 6.286,800 6.569,801 6.942,802 6.892,803 6.932,804 0.917,805 70,806 17.336,807 7.627,808 7.623,809 33.915,810 29.349,811 2.123,812 97.667,815 494.386,816 182.014,817 103.111,819 86.435,821 31.278,822 196.69,823 580.821,824 57.157,826 94.451,827 85.286,828 100.549,829 11.938,830 2.104,831 525.664,832 45.954,833 494.386,834 207.893,835 86.435,836 31.278,837 45.954,838 306.049,839 263.772,840 11,841 97.575,842 110.318,844 77.232,845 494.386,846 143.591,847 227.968,850 494.386,851 96.728,852 88.411,853 99.986,854 86.435,855 494.386,856 143.591,857 227.968,859 0.581,860 0.337,861 0.178,862 0.098,863 33,864 14,865 0.115,866 11,867 1,868 1.063,869 5.511,870 481.359,871 0.063,872 32,873 235.329,874 1,878 33.734,879 15.828,880 8.86,881 2.002,882 143.591,883 17.612,887 1.417,888 2.508,890 54.032,891 865.946,892 62,896 41.252,900 -0.697,902 90.578,903 102.312,904 0.241,905 0.534,906 0.737,907 0.867,908 0.875,909 0.875,910 5.407,911 2.083,912 6.337,913 6.737,914 4.963,915 5.34,916 2.937,917 7.152,918 4.885,919 6.575,920 2.071,921 7.901,922 5.868,923 4.575,924 5.112,925 2.221,926 8.272,927 4.461,928 7.871,929 1.779,930 9.576,931 5.791,932 6.589,933 7.408,934 3.792,935 11.338,936 6.452,937 9.199,938 1.531,939 11.327,940 4.831,941 7.066,942 8.039,943 3.792,944 13.423,945 6.907,946 10.566,947 1.517,948 13.132,949 4.288,950 8.545,951 9.837,952 4.925,953 16.108,954 8.361,955 11.958,956 1.42,957 14.98,958 3.452,959 9.419,960 10.877,961 5.25,962 18.558,963 9.218,964 13.371,965 1.344,966 16.863,967 3.381,968 10.707,969 12.485,970 6.173,971 21.178,972 10.482,973 3.503,974 1.147,975 18.775,976 3.042,977 11.769,978 13.737,979 6.658,980 23.749,981 11.527,982 3.048,983 13.895,984 20.709,985 2.866,986 12.996,987 15.266,988 7.469,989 26.367,990 12.734,991 2.833,992 9.799,993 22.663,994 4.454,995 14.146,996 16.631,997 8.038,998 28.977,999 13.868,1000 2.72,1001 8.822,1002 24.632,1003 3.693,1004 15.362,1005 18.129,1006 8.789,1007 31.601,1008 15.066,1009 2.512,1010 7.84,1011 26.613,1012 3.468,1013 16.555,1014 19.553,1015 9.404,1016 34.224,1017 16.244,1018 2.48,1019 7.787,1020 28.605,1021 3.308,1022 17.774,1023 21.04,1024 10.121,1025 36.852,1026 17.448,1027 2.385,1028 6.975,1029 30.605,1030 3.053,1031 18.99,1032 22.495,1033 10.762,1034 39.48,1035 18.648,1036 39098,1037 60629,1038 34.671,1039 60.83,1040 76.566,1041 78.812,1042 77.987,1043 76.12,1044 75.906,1045 90.91,1046 14.222,1047 216.349,1048 72.659,1049 5.591,1050 6.089,1051 7.429,1052 5.611,1053 5.503,1054 7.454,1055 3.48,1056 21.337,1057 5.437,1058 18.776,1059 1.501,1060 1.545,1061 1.529,1062 1.493,1063 1.488,1064 1.783,1065 0.279,1066 4.242,1067 1.425,1068 4.096,1069 4.108,1070 6.88,1071 4.119,1072 7.436,1073 4.064,1074 3.978,1075 4.016,1076 4.322,1077 3.885,1078 7.427,1079 3.88,1080 3.907,1081 3.96,1082 3.904,1083 3.794,1084 7.422,1085 3.79,1086 3.889,1087 3.927,1088 3.802,1089 3.769,1090 4.853,1091 3.766,1092 3.782,1093 3.834,1094 3.793,1095 3.64,1096 4.752,1097 3.633,1098 3.632,1099 3.683,1100 3.653,1101 3.454,1102 4.615,1103 3.459,1104 3.489,1105 3.508,1106 3.539,1107 3.441,1108 4.362,1109 3.402,1110 3.364,1111 3.44,1112 3.413,1113 3.126,1114 4.315,1115 3.138,1116 0.09,1117 0.08,1118 0.15,1119 0.088,1120 0.069,1121 4.591,1122 0.087,1123 4.089,1124 0.039,1125 7.627,1126 0.272,1127 4.486,1128 0.067,1129 3.503,1130 4.454,1131 1.985,1132 13.895,1133 3.437,1134 1.928,1135 1.904,1136 2.095,1137 2.072,1138 1.483,1139 2.083,1140 1.915,1141 1.897,1142 2.055,1143 2.024,1144 1.381,1145 2.034,1146 1.889,1147 1.833,1148 1.997,1149 1.952,1150 1.25,1151 1.971,1152 1.775,1153 1.725,1154 1.96,1155 1.949,1156 1.211,1157 1.967,1158 1.725,1159 1.691,1160 1.86,1161 1.907,1162 1.191,1163 1.896,1164 1.577,1165 1.523,1166 1.858,1167 1.764,1168 1.144,1169 1.793,1170 1.552,1171 1.507,1172 1.721,1173 1.751,1174 0.916,1175 1.751,1176 1.458,1177 1.44,1178 1.578,1179 1.582,1180 0.854,1181 1.586,1182 4.635,1183 5.958,1184 3.045,1185 7.466,1186 5.352,1187 9.053,1188 7.424,1189 10.683,1190 3.503,1197 13.216,1198 9.391,1199 5.52,1201 0.414,1202 2.569,1203 -1.041,1206 56.22,1207 142.959,1208 316.421,1209 436.17,1210 513.454,1211 518.209,1212 518.209,1213 115.957,1214 8.339,1215 99.77,1216 128.01,1217 34,1218 13.013,1219 4.322,1220 3.585,1221 70.589,1222 261,1223 330,1224 0.121,1225 348.667,1226 615.05,1227 842.508,1228 56199,1229 1.1,1230 31.934,1231 0.694,1232 0.626,1233 33.288,1234 28.804,1235 22.365,1236 0.439,1237 0.361,1238 16.763,1239 20.707,1240 16.332,1241 13.386,1242 23.351,1243 18.421,1244 20.238,1245 0.285,1246 0.215,1247 21.697,1248 15.296,1249 17.001,1250 0.185,1251 0.126,1252 18.363,1253 11.574,1254 13.784,1255 0.118,1256 0.074,1257 15.238,1258 8.684,1259 11.215,1260 0.078,1261 0.042,1262 12.536,1263 6.084,1264 0.194,1265 151.231,1266 0.17,1267 40.62,1268 0.321,1269 244,1270 625.101,1271 353.258,1272 656.577,1273 875.41,1274 614,1275 285,1276 580.05,1277 355.943,1278 615.398,1279 904,1280 581,1281 8.7}
{0 CHEMBL244363,1 1.64,2 14.61,3 4.483,4 20.094,5 162.708,6 7.657,7 0.356,8 4.44,9 4.558,10 4.054,11 4.009,12 5.458,13 3.959,14 5.03,15 5.201,16 4.449,17 4.441,18 6.022,19 4.356,20 5.348,21 5.572,22 4.534,23 4.575,24 6.326,25 4.457,26 5.39,27 5.627,28 4.516,29 4.538,30 6.417,31 4.421,32 5.347,33 5.577,34 4.462,35 4.485,36 6.524,37 4.39,38 5.358,39 5.571,40 4.583,41 4.546,42 6.492,43 4.458,44 5.426,45 5.65,46 4.477,47 4.597,48 6.477,49 4.498,50 5.419,51 5.63,52 4.545,53 4.657,54 6.51,55 4.548,56 0.038,57 1.124,58 16.674,59 7.65,60 9.165,61 9.841,62 0.376,63 1.888,64 34.301,65 13.435,66 42.223,67 17.522,68 0.721,69 2.39,70 55.085,71 18.162,72 77.563,73 24.078,74 0.7,75 2.36,76 61.992,77 18.65,78 94.03,79 24.204,80 0.905,81 2.259,82 53.658,83 17.433,84 160.181,85 22.902,86 0.849,87 2.392,88 57.123,89 17.752,90 116.853,91 22.791,92 0.804,93 2.507,94 59.129,95 19.089,96 109.154,97 24.691,98 0.74,99 2.489,100 54.385,101 19.552,102 128.87,103 25.689,104 17,105 62,106 0.251,107 0.547,108 0.725,109 0.84,110 0.851,111 0.851,112 3.741,113 1.037,114 -3.98,115 -3.93,116 -3.73,119 39.7,121 6,125 6,126 1,127 1,132 9,133 2,134 1,141 2,144 3,155 13,158 1,160 3,162 4,163 19,165 1,166 5,168 2,169 2,170 8,173 11,176 8,179 1,181 6,183 5,185 2,186 7,189 2,191 7,193 7,195 1,196 11,198 1,199 1,200 11,203 11,206 9,209 2,211 6,214 12,217 1,218 4,221 1,223 4,224 22,226 2,227 9,231 6,234 18,238 3963,239 27.904,240 27.904,241 27.904,242 27.904,243 27.904,244 25.633,245 27.556,246 16.716,247 28.55,248 22.209,249 22.209,250 22.209,251 22.209,252 22.209,253 18.685,254 30.674,255 7.933,256 23.275,257 4.645,258 2.706,259 1.545,260 0.795,261 0.718,262 0.718,263 4.443,264 1,267 1,268 1305,269 5,271 246.857,272 491.071,274 215.408,277 2.264,278 51.351,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 88.333,289 599,290 4.607,291 4.089,292 7.627,293 4.486,294 3.504,295 4.526,296 1.985,297 13.895,298 3.437,299 4.533,300 3.72,301 6.544,302 4.045,303 3.11,304 3.695,305 1.925,306 10.332,307 2.888,308 4.028,309 3.539,310 6.075,311 3.815,312 2.825,313 3.468,314 1.058,315 8.817,316 2.791,317 3.899,318 3.2,319 5.911,320 3.504,321 2.537,322 3.301,323 0.86,324 8.096,325 2.437,326 3.78,327 2.885,328 5.34,329 3.441,330 2.522,331 3.047,332 0.8,333 6.966,334 2.4,335 3.52,336 2.771,337 5.294,338 3.401,339 2.404,340 2.7,341 0.343,342 6.767,343 2.305,344 3.363,345 2.698,346 5.029,347 2.832,348 1.935,349 2.521,350 0.14,351 5.641,352 1.807,353 3.097,354 2.409,355 4.89,356 2.796,357 1.832,358 2.242,360 4.876,361 1.601,362 2.995,363 2.177,364 4.232,365 2.602,366 1.633,367 2.12,369 3.785,370 1.581,371 2.922,372 2.008,373 4.14,374 2.515,375 1.52,376 2.052,378 3.631,379 1.51,380 2.65,381 1.716,382 4.019,383 2.476,384 1.507,385 1.648,387 3.23,388 1.456,389 2.585,390 1.678,391 3.692,392 2.309,393 1.365,394 1.559,396 3.126,397 1.281,398 2.5,399 1.491,400 3.618,401 2.198,402 1.246,403 1.5,405 2.93,406 1.165,407 2.456,408 1.418,409 3.585,410 2,411 1.026,412 1.432,414 2.475,415 1,416 2.266,417 1.339,418 3.489,419 2,420 1,421 1.211,423 2.136,424 0.981,425 19.981,426 0.487,427 0.912,428 0.022,429 44.75,430 1.091,431 18.5,432 0.451,433 26.25,434 0.64,435 47.736,436 1.164,437 45.419,438 0.582,439 38.267,440 0.933,441 8.391,442 0.205,443 11.542,444 0.282,445 0.086,446 0.025,447 0.245,450 0.709,451 1.28,452 0.71,453 0.997,454 0.527,455 0.964,456 0.82,457 1.143,458 0.819,459 0.956,460 0.558,461 0.997,462 0.933,463 1.036,464 0.938,465 0.994,466 0.883,467 0.997,468 1.258,469 0.979,470 0.932,471 0.9,472 1.459,473 0.921,474 1.176,475 0.975,476 0.796,477 0.835,478 1.385,479 0.86,480 1.182,481 1.086,482 0.924,483 1.032,484 1.408,485 0.945,486 1.331,487 0.956,488 0.983,489 0.939,490 1.558,491 0.94,492 1.122,493 1.007,494 0.86,495 0.909,496 1.352,497 1.001,498 8,499 0.313,500 4.667,501 2.507,502 2.611,503 1.191,504 1,505 0.887,506 0.453,507 0.38,508 29229,509 76097,510 2.099,511 47.4,512 4,513 22,516 3,518 6,519 2,520 1.811,521 1.992,522 3.791,523 0.74,527 127.932,528 1.64,529 3.58,530 4.74,531 5.491,532 5.567,533 5.567,534 3.257,535 4.87,536 5.325,537 4.016,538 3293.32,539 9.439,540 59146.9,544 490.261,545 1.371,546 5.297,547 0.178,548 0.006,549 0.075,550 0.04,551 0.044,552 0.02,553 0.015,554 0.014,555 0.007,556 0.006,557 0.405,558 0.33,559 0.63,560 0.458,561 233.692,562 -0.04,563 -0.066,564 0.043,565 0.021,566 -0.01,567 0.032,568 0.024,569 -0.005,570 0.02,571 0.035,572 0.042,573 -0.022,574 0.03,575 0.011,576 0.013,577 -0.017,578 0.001,579 -0.027,580 -0.117,581 0.02,582 0.046,583 0.045,584 -0.114,585 0.033,586 0.055,587 0.01,588 0.073,589 0.084,590 0.138,591 0.083,592 0.019,593 -0.034,594 0.033,595 -0.037,596 0.011,597 0.004,598 -0.153,599 0.068,600 -0.093,601 0.01,602 -0.144,603 0.006,604 -0.067,605 -0.003,606 -0.036,607 0.018,608 -0.033,609 -0.037,610 2.317,611 6.86,612 0.634,613 55.112,614 1.002,615 1.125,616 2.75,617 7.56,618 0.67,619 3.829,620 4.143,621 4.407,622 4.635,623 4.804,624 4.828,625 4.898,626 5.05,627 5.088,628 5.094,629 8.756,630 0.627,631 597.24,632 3.829,633 5.371,634 6.217,635 7.089,636 7.955,637 8.834,638 9.709,639 10.593,640 11.474,641 12.363,642 5.1,645 1,648 3,653 2,654 9,658 1,659 3,661 16,662 1,669 1,670 78,672 19,673 2,674 45,676 82,677 31,678 14,679 4,680 8,681 1,683 5,684 6,685 1,691 4,692 1,694 7,696 17,697 14,698 1,699 3,703 3,707 3,713 37,714 8,715 3,716 10,717 2,720 4,721 0.8,722 4,732 2,733 3,735 1,742 2,749 1,752 1,753 4,755 1,758 1,761 41,766 12,767 3,768 1,770 1,771 1,772 1,774 1,777 1,778 5.1,781 3,782 1,785 20.583,786 13.51,787 9.069,788 4.961,789 2.29,790 1.291,791 0.97,792 10.441,793 10.152,794 4.043,795 4.562,796 5.071,797 5.57,798 6.027,799 6.243,800 6.494,801 6.866,802 6.888,803 6.895,804 0.9,805 62,806 15.42,807 6.756,808 7.741,809 29.624,810 25.026,811 2.241,812 91.861,815 400.217,816 174.856,817 57.157,818 39.149,819 86.435,821 31.278,822 143.578,823 525.801,824 57.157,826 86.847,827 85.286,828 100.549,829 12.383,830 2.104,831 431.495,832 39.149,833 400.217,834 200.735,835 86.435,836 70.426,838 306.049,839 169.604,840 11,841 89.971,842 110.764,843 39.149,844 31.278,845 400.217,846 143.591,847 214.005,850 400.217,851 89.57,852 88.411,853 54.032,854 125.583,855 400.217,856 143.591,857 214.005,859 0.577,860 0.339,861 0.18,862 0.094,863 28,864 12,865 0.134,866 11,867 1,868 1.077,869 5.067,870 408.318,871 0.077,872 26,873 204.905,874 1,878 30.118,879 14.213,880 7.735,881 1.739,882 143.591,883 17.02,887 1.353,888 2.046,890 54.032,891 757.813,892 56,896 40.623,900 -0.832,902 78.138,903 87.753,904 0.261,905 0.57,906 0.754,907 0.874,908 0.886,909 0.886,910 5.293,911 1.832,912 6.205,913 5.641,914 4.828,915 5.25,916 2.937,917 7.033,918 4.742,919 6.469,920 1.633,921 7.778,922 4.876,923 4.443,924 5.037,925 2.221,926 8.215,927 4.32,928 7.771,929 1.52,930 9.47,931 3.785,932 6.463,933 7.36,934 3.792,935 11.294,936 6.308,937 9.112,938 1.507,939 11.241,940 3.631,941 6.976,942 8.033,943 3.792,944 13.425,945 6.796,946 10.492,947 1.365,948 13.069,949 3.23,950 8.455,951 9.843,952 4.925,953 16.117,954 8.245,955 11.9,956 1.246,957 14.939,958 3.126,959 9.367,960 10.928,961 5.25,962 18.578,963 9.137,964 13.329,965 1.026,966 16.841,967 2.93,968 10.657,969 12.546,970 6.173,971 21.199,972 10.403,973 3.504,974 1,975 18.768,976 2.475,977 11.745,978 13.836,979 6.658,980 23.77,981 11.474,982 3.11,983 13.895,984 20.715,985 2.136,986 12.978,987 15.378,988 7.469,989 26.386,990 12.687,991 2.825,992 10.332,993 22.677,994 4.526,995 14.143,996 16.774,997 8.038,998 28.992,999 13.836,1000 2.537,1001 8.817,1002 24.652,1003 3.695,1004 15.364,1005 18.286,1006 8.789,1007 31.614,1008 15.04,1009 2.522,1010 8.096,1011 26.637,1012 3.468,1013 16.566,1014 19.736,1015 9.404,1016 34.234,1017 16.227,1018 2.404,1019 6.966,1020 28.63,1021 3.301,1022 17.789,1023 21.24,1024 10.121,1025 36.86,1026 17.435,1027 1.935,1028 6.767,1029 30.631,1030 3.047,1031 19.009,1032 22.718,1033 10.762,1034 39.486,1035 18.64,1036 27329,1037 44386,1038 30.394,1039 52.29,1040 67.232,1041 69.537,1042 69.017,1043 66.876,1044 66.74,1045 81.761,1046 14.222,1047 189.34,1048 63.664,1049 5.607,1050 6.089,1051 7.429,1052 5.61,1053 5.504,1054 7.526,1055 3.48,1056 21.337,1057 5.437,1058 17.197,1059 1.494,1060 1.545,1061 1.534,1062 1.486,1063 1.483,1064 1.817,1065 0.316,1066 4.208,1067 1.415,1068 4.094,1069 4.101,1070 4.362,1071 4.116,1072 7.436,1073 4.063,1074 3.965,1075 3.999,1076 3.897,1077 3.879,1078 7.427,1079 3.874,1080 3.889,1081 3.929,1082 3.813,1083 3.788,1084 7.422,1085 3.785,1086 3.824,1087 3.886,1088 3.748,1089 3.621,1090 4.987,1091 3.631,1092 3.671,1093 3.724,1094 3.7,1095 3.468,1096 4.753,1097 3.486,1098 3.491,1099 3.552,1100 3.578,1101 3.408,1102 4.627,1103 3.38,1104 3.48,1105 3.507,1106 3.329,1107 3.304,1108 4.443,1109 3.298,1110 3.234,1111 3.275,1112 3.279,1113 3.023,1114 4.317,1115 3.038,1116 0.102,1117 0.091,1118 0.169,1119 0.1,1120 0.078,1121 4.607,1122 0.101,1123 4.089,1124 0.044,1125 7.627,1126 0.309,1127 4.486,1128 0.076,1129 3.504,1130 4.526,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.903,1136 2.057,1137 2.033,1138 1.301,1139 2.039,1140 1.913,1141 1.897,1142 1.985,1143 1.994,1144 1.249,1145 1.995,1146 1.766,1147 1.706,1148 1.964,1149 1.954,1150 1.211,1151 1.972,1152 1.726,1153 1.687,1154 1.862,1155 1.911,1156 1.191,1157 1.9,1158 1.592,1159 1.548,1160 1.86,1161 1.819,1162 1.135,1163 1.817,1164 1.577,1165 1.507,1166 1.813,1167 1.751,1168 1.09,1169 1.793,1170 1.487,1171 1.469,1172 1.682,1173 1.666,1174 0.89,1175 1.675,1176 1.428,1177 1.377,1178 1.513,1179 1.546,1180 0.825,1181 1.564,1182 4.511,1183 5.826,1184 3.045,1185 7.33,1186 5.352,1187 8.919,1188 7.434,1189 10.555,1192 6.327,1197 8.574,1198 9.103,1199 5.404,1201 -0.759,1202 2.329,1203 -1.067,1206 48.915,1207 127.932,1208 279.232,1209 369.758,1210 428.261,1211 434.261,1212 434.261,1213 108.049,1214 7.863,1215 99.77,1216 128.01,1217 28,1218 12.895,1219 4.322,1220 3.585,1221 66.055,1222 209,1223 248,1224 0.145,1225 304.518,1226 536.84,1227 734.784,1228 29148,1229 1.3,1230 28.658,1231 0.699,1232 0.602,1233 29.512,1234 24.698,1235 19.932,1236 0.443,1237 0.346,1238 14.301,1239 18.551,1240 13.949,1241 11.43,1242 20.629,1243 15.562,1244 17.717,1245 0.286,1246 0.199,1247 18.73,1248 12.311,1249 14.998,1250 0.185,1251 0.116,1252 16.197,1253 9.364,1254 12.123,1255 0.119,1256 0.068,1257 13.343,1258 6.889,1259 9.424,1260 0.078,1261 0.037,1262 10.502,1263 4.478,1264 0.23,1265 131.439,1266 0.181,1267 36.839,1268 0.392,1269 214,1270 602.65,1271 272.907,1272 625.118,1273 829.77,1274 584,1275 250,1276 548.179,1277 304.166,1278 578.192,1279 850.86,1280 546,1281 7.1}
{0 CHEMBL244364,1 1.64,2 15.122,3 4.483,4 20.094,5 162.708,6 7.657,7 0.356,8 4.44,9 4.558,10 4.054,11 4.009,12 5.458,13 3.959,14 5.03,15 5.201,16 4.449,17 4.441,18 6.026,19 4.356,20 5.348,21 5.572,22 4.506,23 4.569,24 6.323,25 4.449,26 5.387,27 5.627,28 4.425,29 4.519,30 6.401,31 4.407,32 5.348,33 5.576,34 4.546,35 4.501,36 6.537,37 4.402,38 5.356,39 5.571,40 4.538,41 4.545,42 6.451,43 4.454,44 5.427,45 5.65,46 4.522,47 4.594,48 6.512,49 4.5,50 5.417,51 5.63,52 4.484,53 4.644,54 6.504,55 4.533,56 0.038,57 1.124,58 16.674,59 7.65,60 9.054,61 9.841,62 0.376,63 1.888,64 34.301,65 13.435,66 42.723,67 17.522,68 0.733,69 2.392,70 55.421,71 18.151,72 78.391,73 24.077,74 0.672,75 2.376,76 57.439,77 18.297,78 92.464,79 24.111,80 0.92,81 2.247,82 57.237,83 17.705,84 162.569,85 22.958,86 0.751,87 2.399,88 55.606,89 17.771,90 103.97,91 22.806,92 0.89,93 2.504,94 59.671,95 18.99,96 118.2,97 24.639,98 0.752,99 2.498,100 54.083,101 19.449,102 133.128,103 25.651,104 17,105 62,106 0.251,107 0.547,108 0.731,109 0.846,110 0.851,111 0.851,112 3.741,113 1.037,114 -3.98,115 -3.93,116 -3.73,119 39.7,121 6,125 6,126 1,127 1,132 9,133 2,134 1,141 2,144 3,155 13,158 1,160 3,162 4,163 19,165 1,166 5,168 2,169 2,170 8,173 12,176 8,179 1,181 6,183 3,185 2,186 8,189 2,191 8,193 8,195 1,196 9,198 1,199 1,200 9,203 11,206 10,209 2,211 7,214 14,217 1,218 5,221 1,223 5,224 20,226 2,227 7,231 4,234 16,238 3990,239 27.852,240 27.852,241 27.852,242 27.852,243 27.852,244 25.601,245 27.556,246 16.692,247 28.524,248 22.225,249 22.225,250 22.225,251 22.225,252 22.225,253 18.706,254 30.674,255 7.96,256 23.326,257 4.645,258 2.706,259 1.503,260 0.753,261 0.718,262 0.718,263 4.443,264 1,267 1,268 1350,269 5,271 248.308,272 491.973,274 215.875,277 2.24,278 50.921,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 88.333,289 620,290 4.591,291 4.089,292 7.627,293 4.486,294 3.503,295 4.454,296 1.985,297 13.895,298 3.437,299 4.49,300 3.72,301 6.351,302 3.989,303 3.048,304 3.693,305 1.925,306 9.799,307 2.86,308 4.027,309 3.533,310 6.074,311 3.814,312 2.824,313 3.468,314 1.058,315 8.815,316 2.79,317 3.886,318 3.053,319 5.814,320 3.481,321 2.522,322 3.308,323 0.86,324 7.84,325 2.426,326 3.78,327 2.885,328 5.34,329 3.441,330 2.512,331 3.048,332 0.8,333 6.966,334 2.399,335 3.52,336 2.773,337 5.294,338 3.4,339 2.404,340 2.811,341 0.343,342 6.767,343 2.305,344 3.478,345 2.703,346 4.964,347 2.963,348 2.08,349 2.521,350 0.14,351 5.792,352 1.809,353 3.089,354 2.628,355 4.89,356 2.821,357 1.833,358 2.291,360 4.875,361 1.736,362 3.027,363 2.177,364 4.402,365 2.602,366 1.633,367 2.131,369 4.288,370 1.581,371 2.923,372 2.008,373 4.186,374 2.496,375 1.53,376 2.06,378 3.641,379 1.46,380 2.65,381 1.678,382 4.135,383 2.476,384 1.51,385 1.648,387 3.381,388 1.456,389 2.643,390 1.669,391 3.692,392 2.32,393 1.374,394 1.622,396 3.229,397 1.289,398 2.5,399 1.506,400 3.618,401 2.213,402 1.278,403 1.5,405 2.938,406 1.172,407 2.456,408 1.491,409 3.585,410 2.018,411 1.053,412 1.434,414 2.497,415 1,416 2.267,417 1.418,418 3.493,419 2,420 1,421 1.215,423 2.137,424 0.992,425 19.981,426 0.487,427 0.929,428 0.023,429 44.75,430 1.091,431 18.5,432 0.451,433 26.25,434 0.64,435 47.52,436 1.159,437 45.419,438 0.582,439 38.242,440 0.933,441 8.375,442 0.204,443 11.54,444 0.281,445 0.086,446 0.025,447 0.245,450 0.709,451 1.28,452 0.71,453 0.997,454 0.528,455 0.964,456 0.82,457 1.143,458 0.819,459 0.956,460 0.551,461 0.997,462 0.942,463 1.04,464 0.973,465 1.019,466 0.894,467 1.02,468 1.228,469 0.984,470 0.922,471 0.916,472 1.437,473 0.924,474 1.181,475 0.969,476 0.752,477 0.801,478 1.385,479 0.844,480 1.245,481 1.078,482 0.923,483 1.002,484 1.469,485 0.938,486 1.247,487 0.962,488 0.932,489 0.95,490 1.489,491 0.933,492 1.116,493 1.015,494 0.875,495 0.94,496 1.348,497 1.032,498 8.5,499 0.319,500 4.444,501 2.479,502 2.566,503 1.184,504 1.082,505 0.825,506 0.423,507 0.435,508 29381,509 77041,510 2.099,511 47.4,512 4,513 22,516 3,518 6,519 2,520 1.811,521 1.992,522 3.831,523 0.74,527 127.932,528 1.64,529 3.58,530 4.782,531 5.532,532 5.567,533 5.567,534 3.324,535 4.87,536 5.324,537 4.032,538 3306.56,539 9.438,540 59459.6,544 490.261,545 1.371,546 5.297,547 0.189,548 0.006,549 0.072,550 0.041,551 0.044,552 0.019,553 0.017,554 0.012,555 0.007,556 0.007,557 0.413,558 0.33,559 0.63,560 0.458,561 233.897,562 -0.04,563 -0.066,564 0.043,565 0.021,566 -0.011,567 0.032,568 0.024,569 -0.005,570 0.02,571 0.035,572 0.048,573 -0.022,574 0.02,575 0.006,576 -0.022,577 -0.042,578 -0.01,579 -0.051,580 -0.119,581 0.017,582 -0.009,583 0.018,584 -0.109,585 0.027,586 0.068,587 0.014,588 0.152,589 0.124,590 0.147,591 0.101,592 -0.062,593 -0.026,594 -0.001,595 -0.013,596 -0.061,597 0.009,598 -0.068,599 0.061,600 -0.042,601 -0.002,602 -0.074,603 0.012,604 -0.076,605 -0.01,606 -0.083,607 -0.018,608 -0.037,609 -0.069,610 2.309,611 6.854,612 0.634,613 55.883,614 1.002,615 1.125,616 2.75,617 7.56,618 0.67,619 3.829,620 4.143,621 4.394,622 4.625,623 4.804,624 4.82,625 4.913,626 5.056,627 5.063,628 5.1,629 8.811,630 0.627,631 597.24,632 3.829,633 5.371,634 6.213,635 7.084,636 7.946,637 8.824,638 9.696,639 10.578,640 11.457,641 12.343,642 5.1,645 1,648 3,653 2,654 9,658 1,659 3,661 16,662 1,669 1,670 78,672 19,673 2,674 45,676 82,677 31,678 14,679 4,680 8,681 1,683 5,684 6,685 1,691 4,692 1,694 7,696 17,697 14,698 1,699 3,703 3,707 3,713 37,714 8,715 3,716 10,717 2,720 4,721 0.8,722 4,732 2,733 3,735 1,742 2,749 1,752 1,753 4,755 1,758 1,761 41,766 12,767 3,768 1,770 1,771 1,772 1,774 1,777 1,778 5.1,781 3,782 1,785 20.583,786 13.51,787 9.042,788 4.954,789 2.273,790 1.289,791 0.97,792 10.441,793 10.136,794 4.043,795 4.562,796 5.057,797 5.557,798 6.031,799 6.238,800 6.529,801 6.902,802 6.842,803 6.879,804 1,805 61,806 15.415,807 6.747,808 7.741,809 29.624,810 25.021,811 2.241,812 91.861,815 400.217,816 174.856,817 57.157,818 39.149,819 86.435,821 31.278,822 143.578,823 525.801,824 57.157,826 86.847,827 85.286,828 100.549,829 12.383,830 2.104,831 431.495,832 39.149,833 400.217,834 200.735,835 86.435,836 70.426,838 306.049,839 169.604,840 11,841 89.971,842 110.764,843 39.149,844 31.278,845 400.217,846 143.591,847 214.005,850 400.217,851 89.57,852 88.411,853 54.032,854 125.583,855 400.217,856 143.591,857 214.005,859 0.577,860 0.335,861 0.177,862 0.095,863 28,864 12,865 0.134,866 11,867 1,868 1.077,869 5.082,870 407.107,871 0.077,872 26,873 204.905,874 1,878 30.118,879 14.213,880 7.936,881 1.85,882 143.591,883 17.002,887 1.373,888 2.09,890 54.032,891 757.813,892 56,896 40.598,900 -0.812,902 78.138,903 87.753,904 0.261,905 0.57,906 0.761,907 0.88,908 0.886,909 0.886,910 5.293,911 1.833,912 6.201,913 5.792,914 4.828,915 5.25,916 2.937,917 7.02,918 4.742,919 6.469,920 1.633,921 7.768,922 4.875,923 4.443,924 5.037,925 2.221,926 8.186,927 4.32,928 7.769,929 1.53,930 9.452,931 4.288,932 6.457,933 7.352,934 3.792,935 11.257,936 6.305,937 9.106,938 1.51,939 11.215,940 3.641,941 6.957,942 7.999,943 3.792,944 13.384,945 6.787,946 10.482,947 1.374,948 13.036,949 3.381,950 8.435,951 9.808,952 4.925,953 16.076,954 8.237,955 11.883,956 1.278,957 14.9,958 3.229,959 9.336,960 10.859,961 5.25,962 18.543,963 9.124,964 13.305,965 1.053,966 16.798,967 2.938,968 10.627,969 12.472,970 6.173,971 21.167,972 10.391,973 3.503,974 1,975 18.722,976 2.497,977 11.708,978 13.729,979 6.658,980 23.744,981 11.46,982 3.048,983 13.895,984 20.668,985 2.137,986 12.941,987 15.261,988 7.469,989 26.364,990 12.674,991 2.824,992 9.799,993 22.631,994 4.454,995 14.104,996 16.627,997 8.038,998 28.975,999 13.823,1000 2.522,1001 8.815,1002 24.608,1003 3.693,1004 15.325,1005 18.127,1006 8.789,1007 31.6,1008 15.028,1009 2.512,1010 7.84,1011 26.595,1012 3.468,1013 16.526,1014 19.551,1015 9.404,1016 34.223,1017 16.215,1018 2.404,1019 6.966,1020 28.591,1021 3.308,1022 17.751,1023 21.039,1024 10.121,1025 36.851,1026 17.424,1027 2.08,1028 6.767,1029 30.594,1030 3.048,1031 18.971,1032 22.495,1033 10.762,1034 39.479,1035 18.631,1036 27472,1037 44775,1038 30.394,1039 52.29,1040 67.25,1041 69.387,1042 68.807,1043 66.891,1044 66.73,1045 81.737,1046 14.222,1047 188.855,1048 63.645,1049 5.591,1050 6.089,1051 7.429,1052 5.61,1053 5.503,1054 7.454,1055 3.48,1056 21.337,1057 5.437,1058 17.309,1059 1.494,1060 1.542,1061 1.529,1062 1.486,1063 1.483,1064 1.816,1065 0.316,1066 4.197,1067 1.414,1068 4.093,1069 4.102,1070 4.35,1071 4.113,1072 7.436,1073 4.061,1074 3.965,1075 3.999,1076 3.897,1077 3.879,1078 7.427,1079 3.874,1080 3.889,1081 3.929,1082 3.83,1083 3.788,1084 7.422,1085 3.785,1086 3.824,1087 3.886,1088 3.783,1089 3.621,1090 4.979,1091 3.631,1092 3.671,1093 3.724,1094 3.701,1095 3.468,1096 4.753,1097 3.486,1098 3.494,1099 3.552,1100 3.578,1101 3.424,1102 4.627,1103 3.393,1104 3.482,1105 3.507,1106 3.329,1107 3.304,1108 4.525,1109 3.298,1110 3.235,1111 3.274,1112 3.246,1113 3.027,1114 4.317,1115 3.042,1116 0.102,1117 0.091,1118 0.169,1119 0.1,1120 0.078,1121 4.591,1122 0.099,1123 4.089,1124 0.044,1125 7.627,1126 0.309,1127 4.486,1128 0.076,1129 3.503,1130 4.454,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.902,1136 2.057,1137 2.033,1138 1.301,1139 2.039,1140 1.913,1141 1.897,1142 1.985,1143 1.994,1144 1.249,1145 1.995,1146 1.766,1147 1.706,1148 1.966,1149 1.955,1150 1.211,1151 1.973,1152 1.726,1153 1.687,1154 1.861,1155 1.911,1156 1.191,1157 1.9,1158 1.592,1159 1.548,1160 1.86,1161 1.819,1162 1.135,1163 1.817,1164 1.577,1165 1.507,1166 1.813,1167 1.751,1168 1.09,1169 1.793,1170 1.487,1171 1.469,1172 1.682,1173 1.666,1174 0.89,1175 1.675,1176 1.428,1177 1.377,1178 1.513,1179 1.545,1180 0.825,1181 1.564,1182 4.511,1183 5.826,1184 3.045,1185 7.326,1186 5.352,1187 8.91,1188 7.424,1189 10.539,1192 6.128,1197 8.6,1198 9.111,1199 5.405,1201 -0.755,1202 2.33,1203 -1.059,1206 48.915,1207 127.932,1208 279.232,1209 373.003,1210 431.506,1211 434.261,1212 434.261,1213 106.968,1214 7.863,1215 99.77,1216 128.01,1217 28,1218 12.876,1219 4.322,1220 3.585,1221 66.062,1222 210,1223 248,1224 0.144,1225 304.518,1226 536.84,1227 734.784,1228 29150,1229 1.3,1230 28.658,1231 0.699,1232 0.602,1233 29.512,1234 24.698,1235 19.915,1236 0.443,1237 0.346,1238 14.295,1239 18.518,1240 13.941,1241 11.422,1242 20.612,1243 15.556,1244 17.823,1245 0.287,1246 0.2,1247 18.874,1248 12.371,1249 14.859,1250 0.186,1251 0.116,1252 15.978,1253 9.255,1254 12.011,1255 0.119,1256 0.067,1257 13.063,1258 6.729,1259 9.494,1260 0.078,1261 0.037,1262 10.629,1263 4.519,1264 0.229,1265 131.338,1266 0.181,1267 36.877,1268 0.389,1269 214,1270 602.65,1271 272.907,1272 625.288,1273 829.17,1274 584,1275 249,1276 547.179,1277 301.215,1278 577.398,1279 847.49,1280 545,1281 7.6}
{0 CHEMBL244566,1 1.64,2 15.122,3 4.483,4 20.094,5 162.708,6 7.657,7 0.356,8 4.44,9 4.558,10 4.054,11 4.009,12 5.458,13 3.959,14 5.03,15 5.201,16 4.449,17 4.441,18 6.026,19 4.356,20 5.348,21 5.572,22 4.506,23 4.569,24 6.323,25 4.449,26 5.387,27 5.627,28 4.481,29 4.525,30 6.401,31 4.409,32 5.347,33 5.577,34 4.491,35 4.491,36 6.532,37 4.398,38 5.357,39 5.571,40 4.541,41 4.549,42 6.456,43 4.456,44 5.427,45 5.65,46 4.522,47 4.594,48 6.512,49 4.5,50 5.417,51 5.63,52 4.484,53 4.644,54 6.504,55 4.533,56 0.038,57 1.124,58 16.674,59 7.65,60 9.054,61 9.841,62 0.376,63 1.888,64 34.301,65 13.435,66 42.723,67 17.522,68 0.733,69 2.392,70 55.421,71 18.151,72 78.446,73 24.077,74 0.687,75 2.371,76 60.38,77 18.478,78 92.324,79 24.13,80 0.893,81 2.257,82 53.322,83 17.444,84 161.475,85 22.903,86 0.763,87 2.394,88 56.581,89 17.852,90 105.148,91 22.843,92 0.89,93 2.504,94 59.671,95 18.99,96 118.2,97 24.639,98 0.752,99 2.498,100 54.083,101 19.449,102 133.128,103 25.651,104 17,105 62,106 0.251,107 0.547,108 0.731,109 0.846,110 0.851,111 0.851,112 3.741,113 1.037,114 -3.98,115 -3.93,116 -3.73,119 39.7,121 6,125 6,126 1,127 1,132 9,133 2,134 1,141 2,144 3,155 13,158 1,160 3,162 4,163 20,165 1,166 5,168 2,169 2,170 8,173 10,176 8,179 1,181 6,183 4,185 2,186 8,189 2,191 8,193 8,195 1,196 9,198 1,199 1,200 9,203 11,206 10,209 2,211 7,214 14,217 1,218 5,221 1,223 5,224 20,226 2,227 7,231 4,234 16,238 3990,239 27.852,240 27.852,241 27.852,242 27.852,243 27.852,244 25.601,245 27.556,246 16.692,247 28.524,248 22.225,249 22.225,250 22.225,251 22.225,252 22.225,253 18.706,254 30.674,255 7.96,256 23.324,257 4.645,258 2.706,259 1.503,260 0.753,261 0.718,262 0.718,263 4.443,264 1,267 1,268 1350,269 5,271 248.308,272 491.973,274 215.875,277 2.24,278 50.925,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 88.333,289 620,290 4.591,291 4.089,292 7.627,293 4.486,294 3.503,295 4.454,296 1.985,297 13.895,298 3.437,299 4.49,300 3.72,301 6.351,302 3.988,303 3.048,304 3.693,305 1.925,306 9.799,307 2.858,308 4.027,309 3.533,310 6.074,311 3.814,312 2.824,313 3.468,314 1.058,315 8.815,316 2.79,317 3.886,318 3.053,319 5.814,320 3.481,321 2.522,322 3.308,323 0.86,324 7.84,325 2.425,326 3.78,327 2.885,328 5.34,329 3.441,330 2.512,331 3.048,332 0.8,333 6.966,334 2.399,335 3.52,336 2.773,337 5.294,338 3.4,339 2.404,340 2.811,341 0.343,342 6.767,343 2.305,344 3.478,345 2.703,346 4.964,347 2.978,348 2.08,349 2.521,350 0.14,351 5.792,352 1.811,353 3.089,354 2.628,355 4.89,356 2.822,357 1.833,358 2.291,360 4.875,361 1.769,362 3.027,363 2.177,364 4.402,365 2.602,366 1.633,367 2.131,369 4.288,370 1.581,371 2.923,372 2.008,373 4.186,374 2.476,375 1.53,376 2.06,378 3.641,379 1.456,380 2.65,381 1.678,382 4.135,383 2.463,384 1.51,385 1.648,387 3.381,388 1.404,389 2.643,390 1.669,391 3.692,392 2.323,393 1.374,394 1.622,396 3.229,397 1.293,398 2.5,399 1.506,400 3.618,401 2.217,402 1.278,403 1.5,405 2.938,406 1.176,407 2.456,408 1.491,409 3.585,410 2.026,411 1.053,412 1.434,414 2.497,415 1,416 2.267,417 1.418,418 3.493,419 2,420 1,421 1.215,423 2.137,424 1,425 19.981,426 0.487,427 0.929,428 0.023,429 44.75,430 1.091,431 18.5,432 0.451,433 26.25,434 0.64,435 47.543,436 1.16,437 45.419,438 0.582,439 38.219,440 0.932,441 8.375,442 0.204,443 11.54,444 0.281,445 0.086,446 0.025,447 0.245,450 0.709,451 1.28,452 0.71,453 0.997,454 0.528,455 0.964,456 0.82,457 1.143,458 0.819,459 0.956,460 0.551,461 0.997,462 0.942,463 1.04,464 0.973,465 1.019,466 0.894,467 1.02,468 1.216,469 0.982,470 0.86,471 0.891,472 1.44,473 0.918,474 1.167,475 0.97,476 0.761,477 0.81,478 1.367,479 0.837,480 1.272,481 1.079,482 0.978,483 1.02,484 1.485,485 0.951,486 1.247,487 0.962,488 0.932,489 0.95,490 1.489,491 0.933,492 1.116,493 1.015,494 0.875,495 0.94,496 1.348,497 1.032,498 8.5,499 0.319,500 4.444,501 2.479,502 2.566,503 1.184,504 1.082,505 0.825,506 0.423,507 0.435,508 29381,509 77017,510 2.099,511 47.4,512 4,513 22,516 3,518 6,519 2,520 1.811,521 1.992,522 3.831,523 0.74,527 127.932,528 1.64,529 3.58,530 4.782,531 5.532,532 5.567,533 5.567,534 3.324,535 4.87,536 5.324,537 4.032,538 3306.56,539 9.438,540 59459.6,544 490.261,545 1.371,546 5.297,547 0.189,548 0.006,549 0.072,550 0.041,551 0.044,552 0.019,553 0.017,554 0.012,555 0.007,556 0.007,557 0.413,558 0.33,559 0.63,560 0.458,561 233.897,562 -0.04,563 -0.066,564 0.043,565 0.021,566 -0.011,567 0.032,568 0.024,569 -0.005,570 0.02,571 0.035,572 0.048,573 -0.022,574 0.02,575 0.006,576 -0.022,577 -0.042,578 -0.009,579 -0.051,580 -0.107,581 0.019,582 0.053,583 0.043,584 -0.112,585 0.032,586 0.065,587 0.014,588 0.109,589 0.11,590 0.156,591 0.106,592 -0.072,593 -0.027,594 -0.022,595 -0.025,596 -0.067,597 -0.003,598 -0.068,599 0.061,600 -0.042,601 -0.002,602 -0.074,603 0.012,604 -0.076,605 -0.01,606 -0.083,607 -0.018,608 -0.037,609 -0.069,610 2.309,611 6.854,612 0.634,613 55.883,614 1.002,615 1.125,616 2.75,617 7.56,618 0.67,619 3.829,620 4.143,621 4.394,622 4.625,623 4.804,624 4.82,625 4.913,626 5.056,627 5.063,628 5.1,629 8.811,630 0.627,631 597.24,632 3.829,633 5.371,634 6.213,635 7.084,636 7.946,637 8.824,638 9.696,639 10.578,640 11.457,641 12.343,642 5.1,645 1,648 3,653 2,654 9,658 1,659 3,661 16,662 1,669 1,670 78,672 19,673 2,674 45,676 82,677 31,678 14,679 4,680 8,681 1,683 5,684 6,685 1,691 4,692 1,694 7,696 17,697 14,698 1,699 3,703 3,707 3,713 37,714 8,715 3,716 10,717 2,720 4,721 0.8,722 4,732 2,733 3,735 1,742 2,749 1,752 1,753 4,755 1,758 1,761 41,766 12,767 3,768 1,770 1,771 1,772 1,774 1,777 1,778 5.1,781 3,782 1,785 20.583,786 13.51,787 9.042,788 4.954,789 2.273,790 1.289,791 0.97,792 10.441,793 10.136,794 4.043,795 4.562,796 5.057,797 5.557,798 6.031,799 6.238,800 6.529,801 6.902,802 6.842,803 6.879,804 1,805 61,806 15.415,807 6.747,808 7.741,809 29.624,810 25.021,811 2.241,812 91.861,815 400.217,816 174.856,817 57.157,818 39.149,819 86.435,821 31.278,822 143.578,823 525.801,824 57.157,826 86.847,827 85.286,828 100.549,829 12.383,830 2.104,831 431.495,832 39.149,833 400.217,834 200.735,835 86.435,836 70.426,838 306.049,839 169.604,840 11,841 89.971,842 110.764,843 39.149,844 31.278,845 400.217,846 143.591,847 214.005,850 400.217,851 89.57,852 88.411,853 54.032,854 125.583,855 400.217,856 143.591,857 214.005,859 0.577,860 0.335,861 0.177,862 0.095,863 28,864 12,865 0.134,866 11,867 1,868 1.077,869 5.082,870 407.107,871 0.077,872 26,873 204.905,874 1,878 30.118,879 14.213,880 7.936,881 1.85,882 143.591,883 17.016,887 1.353,888 2.094,890 54.032,891 757.813,892 56,896 40.598,900 -0.812,902 78.138,903 87.753,904 0.261,905 0.57,906 0.761,907 0.88,908 0.886,909 0.886,910 5.293,911 1.833,912 6.201,913 5.792,914 4.828,915 5.25,916 2.937,917 7.02,918 4.742,919 6.469,920 1.633,921 7.768,922 4.875,923 4.443,924 5.037,925 2.221,926 8.186,927 4.32,928 7.769,929 1.53,930 9.452,931 4.288,932 6.457,933 7.352,934 3.792,935 11.257,936 6.305,937 9.106,938 1.51,939 11.215,940 3.641,941 6.957,942 7.999,943 3.792,944 13.384,945 6.787,946 10.482,947 1.374,948 13.036,949 3.381,950 8.435,951 9.808,952 4.925,953 16.076,954 8.236,955 11.883,956 1.278,957 14.9,958 3.229,959 9.336,960 10.859,961 5.25,962 18.543,963 9.124,964 13.305,965 1.053,966 16.798,967 2.938,968 10.627,969 12.472,970 6.173,971 21.167,972 10.391,973 3.503,974 1,975 18.722,976 2.497,977 11.708,978 13.729,979 6.658,980 23.744,981 11.459,982 3.048,983 13.895,984 20.668,985 2.137,986 12.941,987 15.261,988 7.469,989 26.364,990 12.673,991 2.824,992 9.799,993 22.631,994 4.454,995 14.104,996 16.627,997 8.038,998 28.975,999 13.822,1000 2.522,1001 8.815,1002 24.608,1003 3.693,1004 15.325,1005 18.127,1006 8.789,1007 31.6,1008 15.027,1009 2.512,1010 7.84,1011 26.595,1012 3.468,1013 16.526,1014 19.551,1015 9.404,1016 34.223,1017 16.214,1018 2.404,1019 6.966,1020 28.591,1021 3.308,1022 17.751,1023 21.039,1024 10.121,1025 36.851,1026 17.424,1027 2.08,1028 6.767,1029 30.594,1030 3.048,1031 18.971,1032 22.495,1033 10.762,1034 39.479,1035 18.63,1036 27472,1037 44772,1038 30.394,1039 52.29,1040 67.25,1041 69.387,1042 68.807,1043 66.906,1044 66.73,1045 81.737,1046 14.222,1047 188.855,1048 63.646,1049 5.591,1050 6.089,1051 7.429,1052 5.61,1053 5.503,1054 7.454,1055 3.48,1056 21.337,1057 5.437,1058 17.309,1059 1.494,1060 1.542,1061 1.529,1062 1.487,1063 1.483,1064 1.816,1065 0.316,1066 4.197,1067 1.414,1068 4.093,1069 4.102,1070 4.352,1071 4.113,1072 7.436,1073 4.061,1074 3.965,1075 3.999,1076 3.897,1077 3.879,1078 7.427,1079 3.874,1080 3.889,1081 3.929,1082 3.823,1083 3.788,1084 7.422,1085 3.785,1086 3.824,1087 3.886,1088 3.774,1089 3.621,1090 4.978,1091 3.631,1092 3.671,1093 3.724,1094 3.701,1095 3.468,1096 4.753,1097 3.486,1098 3.494,1099 3.552,1100 3.578,1101 3.423,1102 4.627,1103 3.394,1104 3.482,1105 3.507,1106 3.329,1107 3.304,1108 4.533,1109 3.298,1110 3.236,1111 3.274,1112 3.238,1113 3.026,1114 4.318,1115 3.043,1116 0.102,1117 0.091,1118 0.169,1119 0.1,1120 0.078,1121 4.591,1122 0.099,1123 4.089,1124 0.044,1125 7.627,1126 0.309,1127 4.486,1128 0.076,1129 3.503,1130 4.454,1131 1.985,1132 13.895,1133 3.437,1134 1.927,1135 1.902,1136 2.057,1137 2.033,1138 1.301,1139 2.039,1140 1.914,1141 1.897,1142 1.985,1143 1.994,1144 1.249,1145 1.995,1146 1.766,1147 1.706,1148 1.969,1149 1.957,1150 1.211,1151 1.974,1152 1.726,1153 1.687,1154 1.861,1155 1.911,1156 1.191,1157 1.9,1158 1.592,1159 1.548,1160 1.86,1161 1.819,1162 1.135,1163 1.817,1164 1.577,1165 1.507,1166 1.812,1167 1.751,1168 1.09,1169 1.793,1170 1.487,1171 1.469,1172 1.682,1173 1.665,1174 0.89,1175 1.675,1176 1.427,1177 1.377,1178 1.513,1179 1.542,1180 0.825,1181 1.561,1182 4.511,1183 5.826,1184 3.045,1185 7.326,1186 5.352,1187 8.91,1188 7.424,1189 10.539,1192 6.13,1197 8.6,1198 9.111,1199 5.405,1201 -0.755,1202 2.33,1203 -1.059,1206 48.915,1207 127.932,1208 279.232,1209 373.003,1210 431.506,1211 434.261,1212 434.261,1213 106.978,1214 7.863,1215 99.77,1216 128.01,1217 28,1218 12.876,1219 4.322,1220 3.585,1221 66.062,1222 210,1223 248,1224 0.144,1225 304.518,1226 536.84,1227 734.784,1228 29150,1229 1.3,1230 28.658,1231 0.699,1232 0.602,1233 29.512,1234 24.698,1235 19.915,1236 0.443,1237 0.346,1238 14.295,1239 18.518,1240 13.941,1241 11.422,1242 20.612,1243 15.556,1244 17.823,1245 0.287,1246 0.2,1247 18.874,1248 12.371,1249 14.859,1250 0.186,1251 0.116,1252 15.959,1253 9.241,1254 12.011,1255 0.119,1256 0.068,1257 13.188,1258 6.835,1259 9.494,1260 0.078,1261 0.037,1262 10.54,1263 4.458,1264 0.229,1265 131.338,1266 0.181,1267 36.877,1268 0.389,1269 214,1270 602.65,1271 272.907,1272 625.288,1273 829.17,1274 584,1275 249,1276 547.179,1277 301.215,1278 577.399,1279 847.52,1280 545,1281 8}
{0 CHEMBL266125,1 1.482,2 17.304,3 5.524,4 30.512,5 184.546,6 6.861,7 0.314,8 4.614,9 4.741,10 4.136,11 4.175,12 5.563,13 4.115,14 5.228,15 5.413,16 4.527,17 4.627,18 6.131,19 4.529,20 5.571,21 5.805,22 4.592,23 4.784,24 6.447,25 4.647,26 5.665,27 5.933,28 4.529,29 4.746,30 6.554,31 4.605,32 5.59,33 5.843,34 4.592,35 4.716,36 6.653,37 4.597,38 5.574,39 5.792,40 4.655,41 4.778,42 6.588,43 4.663,44 5.685,45 5.93,46 4.582,47 4.805,48 6.645,49 4.681,50 5.646,51 5.892,52 4.566,53 4.814,54 6.618,55 4.681,56 0.073,57 1.353,58 22.428,59 9.64,60 10.534,61 12.966,62 0.427,63 2.316,64 43.99,65 16.998,66 42.816,67 23.224,68 0.681,69 3.021,70 65.572,71 22.835,72 71.05,73 31.875,74 0.745,75 3.116,76 72.271,77 23.254,78 91.728,79 32.965,80 1.093,81 2.906,82 69.115,83 22.171,84 161.981,85 30.513,86 0.692,87 2.966,88 67.747,89 22.851,90 99.51,91 30.799,92 0.874,93 3.165,94 74.405,95 24.404,96 117.67,97 33