"molecule_id","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.094","C.","C.001","C.002","C.003","C.005","C.006","C.008","C.009","C.011","C.013","C.016","C.017","C.019","C.024","C.025","C.026","C.028","C.029","C.030","C.032","C.033","C.034","C.038","C.039","C.040","C.041","C.042","C.043","C.044","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AN","CATS2D_01_DA","CATS2D_01_DN","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AN","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_DN","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_NN","CATS2D_02_PL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AN","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DN","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AN","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_NL","CATS2D_04_NN","CATS2D_04_PL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DN","CATS2D_05_DP","CATS2D_05_LL","CATS2D_05_NL","CATS2D_05_NN","CATS2D_05_PL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AN","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DN","CATS2D_06_DP","CATS2D_06_LL","CATS2D_06_NL","CATS2D_06_PL","CATS2D_06_PN","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_NN","CATS2D_07_PL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AN","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DN","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_NL","CATS2D_08_PL","CATS2D_08_PN","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DN","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","CMC.50","CMC.80","cRo5","CSI","DBI","D.Dtr05","D.Dtr06","D.Dtr08","D.Dtr09","D.Dtr10","D.Dtr12","DECC","DELS","Depressant.50","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.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","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.048","H.049","H.050","H.051","H.052","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","Hypnotic.50","Hypnotic.80","I.099","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Infective.80","Inflammat.50","Inflammat.80","ISIZ","IVDE","IVDM","JGI1","JGI10","JGI2","JGI3","JGI4","JGI5","JGI6","JGI7","JGI8","JGI9","JGT","LLS_01","LLS_02","LOC","LPRS","MATS1e","MATS1i","MATS1m","MATS1p","MATS1s","MATS1v","MATS2e","MATS2i","MATS2m","MATS2p","MATS2s","MATS2v","MATS3e","MATS3i","MATS3m","MATS3p","MATS3s","MATS3v","MATS4e","MATS4i","MATS4m","MATS4p","MATS4s","MATS4v","MATS5e","MATS5i","MATS5m","MATS5p","MATS5s","MATS5v","MATS6e","MATS6i","MATS6m","MATS6p","MATS6s","MATS6v","MATS7e","MATS7i","MATS7m","MATS7p","MATS7s","MATS7v","MATS8e","MATS8i","MATS8m","MATS8p","MATS8s","MATS8v","MAXDN","MAXDP","MCD","MDDD","Me","Mi","MLOGP","MLOGP2","Mp","MPC01","MPC02","MPC03","MPC04","MPC05","MPC06","MPC07","MPC08","MPC09","MPC10","MSD","Mv","MW","MWC01","MWC02","MWC03","MWC04","MWC05","MWC06","MWC07","MWC08","MWC09","MWC10","N.","N.068","N.069","N.070","N.072","N.073","N.074","N.075","N.076","n124.Triazines","NaaaC","NaaCH","NaaN","NaaNH","NaaO","NaaS","NaasC","NaasN","nAB","nArCN","nArCO","nArCONH2","nArCONHR","nArCONR2","nArCOOH","nArCOOR","nArNH2","nArNHR","nArNO2","nArOH","nArOR","nArX","nAT","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCconjX","nCIC","nCIR","nCL","nCONN","nCp","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nCXr.","nDB","NddsN","NddssS","NdO","NdsCH","NdssC","NdsssP","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nI","nImidazoles","nN","nN.CO.2","NNRS","nO","nOHp","nOHs","nOHt","nOxolanes","nP","nPO4","nPyrimidines","nR05","nR06","nR08","nR09","nR10","nR12","nRCO","nRCONHR","nRCOOH","nR.Cs","nR.Ct","nRNR2","nROH","nROR","NRS","nRSR","nS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsNH2","nSO2N","NsOH","NssCH2","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","nTB","nThiazoles","NtN","nTriazoles","NtsC","nX","O.","O.056","O.057","O.058","O.059","O.060","O.061","ON0","ON0V","ON1","ON1V","P.117","PCD","PCR","PDI","PHI","piID","piPC01","piPC02","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","PJI2","Pol","Psi_e_0","Psi_e_0d","Psi_e_1","Psi_e_A","Psi_i_0","Psi_i_0d","Psi_i_1","Psi_i_1d","Psi_i_A","Psi_i_s","Psi_i_t","Psychotic.80","P_VSA_e_1","P_VSA_e_2","P_VSA_e_3","P_VSA_e_4","P_VSA_e_5","P_VSA_e_6","P_VSA_i_1","P_VSA_i_2","P_VSA_i_3","P_VSA_i_4","P_VSA_LogP_1","P_VSA_LogP_2","P_VSA_LogP_3","P_VSA_LogP_4","P_VSA_LogP_5","P_VSA_LogP_6","P_VSA_LogP_7","P_VSA_LogP_8","P_VSA_m_1","P_VSA_m_2","P_VSA_m_3","P_VSA_m_4","P_VSA_m_5","P_VSA_MR_1","P_VSA_MR_2","P_VSA_MR_3","P_VSA_MR_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.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaNH","SaaO","SaaS","SaasC","SaasN","SAdon","SAtot","SCBO","SddsN","SddssS","SdO","SdsCH","SdssC","SdsssP","Se","Si","SIC0","SIC1","SIC2","SIC3","SIC4","SIC5","SM02_AEA.bo.","SM02_AEA.dm.","SM02_AEA.ed.","SM02_AEA.ri.","SM02_EA","SM02_EA.bo.","SM02_EA.dm.","SM02_EA.ed.","SM02_EA.ri.","SM03_AEA.bo.","SM03_AEA.dm.","SM03_AEA.ed.","SM03_AEA.ri.","SM03_EA","SM03_EA.bo.","SM03_EA.dm.","SM03_EA.ed.","SM03_EA.ri.","SM04_AEA.bo.","SM04_AEA.dm.","SM04_AEA.ed.","SM04_AEA.ri.","SM04_EA","SM04_EA.bo.","SM04_EA.dm.","SM04_EA.ed.","SM04_EA.ri.","SM05_AEA.bo.","SM05_AEA.dm.","SM05_AEA.ed.","SM05_AEA.ri.","SM05_EA","SM05_EA.bo.","SM05_EA.dm.","SM05_EA.ed.","SM05_EA.ri.","SM06_AEA.bo.","SM06_AEA.dm.","SM06_AEA.ed.","SM06_AEA.ri.","SM06_EA","SM06_EA.bo.","SM06_EA.dm.","SM06_EA.ed.","SM06_EA.ri.","SM07_AEA.bo.","SM07_AEA.dm.","SM07_AEA.ed.","SM07_AEA.ri.","SM07_EA","SM07_EA.bo.","SM07_EA.dm.","SM07_EA.ed.","SM07_EA.ri.","SM08_AEA.bo.","SM08_AEA.dm.","SM08_AEA.ed.","SM08_AEA.ri.","SM08_EA","SM08_EA.bo.","SM08_EA.dm.","SM08_EA.ed.","SM08_EA.ri.","SM09_AEA.bo.","SM09_AEA.dm.","SM09_AEA.ed.","SM09_AEA.ri.","SM09_EA","SM09_EA.bo.","SM09_EA.dm.","SM09_EA.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_AEA.ri.","SM10_EA","SM10_EA.bo.","SM10_EA.dm.","SM10_EA.ed.","SM10_EA.ri.","SM11_AEA.bo.","SM11_AEA.dm.","SM11_AEA.ed.","SM11_AEA.ri.","SM11_EA","SM11_EA.bo.","SM11_EA.dm.","SM11_EA.ed.","SM11_EA.ri.","SM12_AEA.bo.","SM12_AEA.dm.","SM12_AEA.ed.","SM12_AEA.ri.","SM12_EA","SM12_EA.bo.","SM12_EA.dm.","SM12_EA.ed.","SM12_EA.ri.","SM13_AEA.bo.","SM13_AEA.dm.","SM13_AEA.ed.","SM13_AEA.ri.","SM13_EA","SM13_EA.bo.","SM13_EA.dm.","SM13_EA.ed.","SM13_EA.ri.","SM14_AEA.bo.","SM14_AEA.dm.","SM14_AEA.ed.","SM14_AEA.ri.","SM14_EA","SM14_EA.bo.","SM14_EA.dm.","SM14_EA.ed.","SM14_EA.ri.","SM15_AEA.bo.","SM15_AEA.dm.","SM15_AEA.ed.","SM15_AEA.ri.","SM15_EA","SM15_EA.bo.","SM15_EA.dm.","SM15_EA.ed.","SM15_EA.ri.","SMTI","SMTIV","SNar","Sp","SpAD_AEA.bo.","SpAD_AEA.dm.","SpAD_AEA.ed.","SpAD_AEA.ri.","SpAD_EA","SpAD_EA.bo.","SpAD_EA.dm.","SpAD_EA.ed.","SpAD_EA.ri.","SpDiam_AEA.bo.","SpDiam_AEA.dm.","SpDiam_AEA.ed.","SpDiam_AEA.ri.","SpDiam_EA","SpDiam_EA.bo.","SpDiam_EA.dm.","SpDiam_EA.ed.","SpDiam_EA.ri.","SPI","SpMAD_AEA.bo.","SpMAD_AEA.dm.","SpMAD_AEA.ed.","SpMAD_AEA.ri.","SpMAD_EA","SpMAD_EA.bo.","SpMAD_EA.dm.","SpMAD_EA.ed.","SpMAD_EA.ri.","SpMax1_Bh.e.","SpMax1_Bh.i.","SpMax1_Bh.m.","SpMax1_Bh.p.","SpMax1_Bh.s.","SpMax1_Bh.v.","SpMax2_Bh.e.","SpMax2_Bh.i.","SpMax2_Bh.m.","SpMax2_Bh.p.","SpMax2_Bh.s.","SpMax2_Bh.v.","SpMax3_Bh.e.","SpMax3_Bh.i.","SpMax3_Bh.m.","SpMax3_Bh.p.","SpMax3_Bh.s.","SpMax3_Bh.v.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax4_Bh.m.","SpMax4_Bh.p.","SpMax4_Bh.s.","SpMax4_Bh.v.","SpMax5_Bh.e.","SpMax5_Bh.i.","SpMax5_Bh.m.","SpMax5_Bh.p.","SpMax5_Bh.s.","SpMax5_Bh.v.","SpMax6_Bh.e.","SpMax6_Bh.i.","SpMax6_Bh.m.","SpMax6_Bh.p.","SpMax6_Bh.s.","SpMax6_Bh.v.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMax7_Bh.m.","SpMax7_Bh.p.","SpMax7_Bh.s.","SpMax7_Bh.v.","SpMax8_Bh.e.","SpMax8_Bh.i.","SpMax8_Bh.m.","SpMax8_Bh.p.","SpMax8_Bh.s.","SpMax8_Bh.v.","SpMaxA_AEA.bo.","SpMaxA_AEA.dm.","SpMaxA_AEA.ed.","SpMaxA_AEA.ri.","SpMaxA_EA","SpMax_AEA.bo.","SpMaxA_EA.bo.","SpMax_AEA.dm.","SpMaxA_EA.dm.","SpMax_AEA.ed.","SpMaxA_EA.ed.","SpMax_AEA.ri.","SpMaxA_EA.ri.","SpMax_EA","SpMax_EA.bo.","SpMax_EA.dm.","SpMax_EA.ed.","SpMax_EA.ri.","SpMin1_Bh.e.","SpMin1_Bh.i.","SpMin1_Bh.m.","SpMin1_Bh.p.","SpMin1_Bh.s.","SpMin1_Bh.v.","SpMin2_Bh.e.","SpMin2_Bh.i.","SpMin2_Bh.m.","SpMin2_Bh.p.","SpMin2_Bh.s.","SpMin2_Bh.v.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.m.","SpMin3_Bh.p.","SpMin3_Bh.s.","SpMin3_Bh.v.","SpMin4_Bh.e.","SpMin4_Bh.i.","SpMin4_Bh.m.","SpMin4_Bh.p.","SpMin4_Bh.s.","SpMin4_Bh.v.","SpMin5_Bh.e.","SpMin5_Bh.i.","SpMin5_Bh.m.","SpMin5_Bh.p.","SpMin5_Bh.s.","SpMin5_Bh.v.","SpMin6_Bh.e.","SpMin6_Bh.i.","SpMin6_Bh.m.","SpMin6_Bh.p.","SpMin6_Bh.s.","SpMin6_Bh.v.","SpMin7_Bh.e.","SpMin7_Bh.i.","SpMin7_Bh.m.","SpMin7_Bh.p.","SpMin7_Bh.s.","SpMin7_Bh.v.","SpMin8_Bh.e.","SpMin8_Bh.i.","SpMin8_Bh.m.","SpMin8_Bh.p.","SpMin8_Bh.s.","SpMin8_Bh.v.","SRW02","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 1.856,2 12.786,3 2.144,4 4.596,5 109.507,6 9.349,7 0.2,8 3.989,9 4.086,10 3.731,11 3.497,12 5.113,13 3.492,14 4.567,15 4.728,16 4.142,17 3.902,18 5.678,19 3.877,20 4.825,21 5.01,22 4.412,23 4.084,24 6.041,25 4.025,26 4.83,27 5.023,28 4.234,29 4.079,30 6.046,31 3.991,32 4.924,33 5.144,34 4.183,35 4.016,36 6.057,37 3.94,38 4.731,39 4.908,40 4.19,41 3.877,42 6.06,43 3.818,44 4.5,45 4.669,46 4.12,47 3.797,48 5.753,49 3.702,50 4.613,51 4.847,52 3.884,53 3.741,54 5.619,55 3.605,56 0.187,57 0.669,58 6.777,59 4.216,60 18.107,61 4.921,62 0.615,63 1.066,64 18.158,65 6.978,66 38.555,67 8.312,68 1.07,69 1.229,70 35.669,71 9.954,72 78.38,73 12.039,74 0.794,75 1.235,76 31.631,77 11.2,78 93.527,79 14.242,80 1.108,81 1.212,82 42.17,83 11.383,84 115.999,85 13.737,86 1.226,87 0.964,88 36.3,89 8.873,90 124.197,91 9.701,92 0.68,93 0.867,94 25.84,95 8.015,96 76.491,97 9.611,98 0.712,99 0.918,100 32.352,101 9.001,102 74.036,103 11.48,104 42,105 42,106 0.32,107 0.601,108 0.734,109 0.854,110 0.861,111 0.861,112 3.374,113 0.997,114 -2.94,115 -2.95,116 -2.85,118 37.5,123 8,130 2,131 3,133 3,142 2,154 1,156 2,157 2,164 3,168 4,169 4,172 1,176 5,179 2,180 6,187 1,192 5,199 2,203 3,204 4,207 1,212 1,216 1,217 3,225 1,230 3,237 1,241 2,242 2,245 1,253 1342,254 18.681,255 18.681,256 18.681,257 18.681,258 18.681,259 17.406,260 25.235,261 11.045,262 19.48,263 14.692,264 14.692,265 14.692,266 14.692,267 14.692,268 12.677,269 32.366,270 5.171,271 16.148,272 3.729,273 2.096,274 1.323,275 0.625,276 0.583,277 0.583,278 4.051,279 3,281 1,282 1,283 749,284 3.162,285 84.546,286 196.392,291 2.071,292 44.138,295 1,296 1,297 1,298 1,299 1,300 1,301 1,302 1,303 62.5,304 358,305 4.665,306 4.048,307 7.133,308 4.336,309 3.384,310 4.123,311 1.349,312 12.305,313 3.201,314 4.211,315 3.314,316 6.3,317 3.757,318 2.845,319 3.831,320 0.86,321 9.383,322 2.591,323 3.769,324 3.303,325 5.89,326 3.538,327 2.631,328 2.996,329 0.8,330 7.998,331 2.359,332 3.536,333 3.046,334 5.553,335 3.281,336 2.379,337 2.629,338 0.8,339 7.053,340 2.122,341 3.375,342 2.781,343 5.349,344 3.04,345 2.102,346 2.454,347 0.8,348 6.525,349 1.897,350 3.094,351 2.455,352 4.985,353 2.755,354 1.785,355 2.174,357 5.239,358 1.692,359 2.821,360 2.341,361 4.603,362 2.581,363 1.687,364 1.948,365 4.071,366 1.483,367 2.778,368 2.229,369 4.04,370 2.309,371 1.414,372 1.765,373 3.512,374 1.209,375 2.65,376 2.129,377 3.723,378 2.264,379 1.345,380 1.616,382 3.348,383 1.171,384 2.052,385 1.536,386 3.414,387 1.967,388 1.038,389 1.047,391 2.275,392 0.965,393 2,394 1.17,395 3.183,396 1.949,397 1,398 1,400 1.925,401 0.929,402 1.655,403 1.146,404 3.069,405 1.181,406 0.298,407 0.306,409 0.558,410 0.252,411 1.37,412 0.984,413 2.93,414 1.116,415 0.233,416 0.294,418 0.52,419 0.162,420 1.194,421 0.701,422 2.405,423 0.838,424 -0.027,425 -0.03,427 -0.057,428 -0.02,429 1.122,430 0.628,431 2.373,432 0.658,433 -0.212,434 -0.274,436 -0.505,437 -0.169,438 13.676,439 0.488,440 0.737,441 0.026,442 30.25,443 1.08,444 11,445 0.393,446 19.25,447 0.688,448 27.904,449 0.997,450 31.924,451 0.665,452 24.146,453 0.862,454 6.157,455 0.22,456 7.277,457 0.26,458 0.23,460 0.344,462 0.754,463 1.661,464 0.53,465 1.005,466 0.62,467 0.926,468 0.975,469 1.179,470 0.642,471 0.712,472 0.668,473 0.782,474 0.8,475 0.809,476 0.727,477 0.764,478 0.711,479 0.815,480 0.581,481 1.229,482 0.709,483 1.089,484 0.584,485 1.054,486 1.195,487 0.931,488 0.862,489 0.803,490 1.264,491 0.825,492 1.423,493 0.7,494 1.184,495 0.81,496 1.613,497 0.877,498 0.664,499 1.199,500 0.764,501 1.103,502 0.852,503 1.12,504 0.771,505 1.071,506 0.707,507 0.964,508 0.806,509 1.031,510 5,511 0.132,512 3.556,513 2.924,514 1.896,515 1.216,516 0.774,517 0.424,518 0.318,519 0.213,520 9427,521 36173,522 1.993,523 41.7,525 19,528 1,531 1.709,532 1.826,533 3.567,534 -0.217,536 1,540 89.071,541 1.856,542 3.489,543 4.262,544 4.96,545 5.002,546 5.002,547 3.133,548 4.593,549 4.764,550 3.736,551 1412.2,552 8.286,553 18667.2,555 1,558 268.078,559 1.531,560 4.714,561 0.167,562 0.008,563 0.085,564 0.064,565 0.045,566 0.031,567 0.022,568 0.014,569 0.013,570 0.011,571 0.459,572 0.33,573 1,574 1.506,575 141.466,576 -0.084,577 -0.375,578 0.006,579 -0.102,580 -0.042,581 -0.041,582 -0.134,583 0.012,584 0.022,585 0.159,586 -0.029,587 0.099,588 0.111,589 0.261,590 0.141,591 0.168,592 0.098,593 0.128,594 0.167,595 -0.217,596 0.084,597 -0.125,598 0.22,599 -0.045,600 -0.176,602 0.035,603 0.136,604 -0.139,605 0.154,606 -0.168,607 0.271,608 -0.106,609 0.151,610 -0.177,611 0.041,612 0.172,613 -0.175,614 0.149,615 -0.11,616 0.09,617 -0.127,618 0.03,619 -0.137,620 0.146,621 -0.006,622 -0.033,623 -0.002,624 2.236,625 5.936,626 0.607,627 32.628,628 1.03,629 1.132,630 1.712,631 2.932,632 0.688,633 3.434,634 3.761,635 4.06,636 4.317,637 4.522,638 4.605,639 4.754,640 4.828,641 4.875,642 4.89,643 7.016,644 0.66,645 448.76,646 3.434,647 4.977,648 5.838,649 6.725,650 7.611,651 8.512,652 9.412,653 10.321,654 11.229,655 12.144,656 6.3,657 2,660 1,667 3,672 3,674 6,687 2,688 48,689 9,690 1,691 30,693 50,694 18,695 6,696 3,697 3,698 4,699 1,700 3,701 3,702 3,704 1,710 10,711 8,713 1,714 3,717 2,719 4,722 1,725 20,726 7,727 1,728 10,729 3,732 3,733 1,734 1,735 4,736 1,743 1,744 2,752 2,754 2,755 1,756 1,757 3,762 3,765 28,768 1,769 8,771 1,774 3,781 3,782 8.3,783 1,785 2,786 1,789 15.333,790 8.479,791 6.306,792 2.852,794 1.448,795 1.198,796 0.932,797 7.47,798 8.766,799 3.611,800 4.119,801 4.627,802 5.093,803 5.5,804 5.65,805 5.949,806 6.204,807 6.339,808 6.486,809 0.889,810 46,811 10.425,813 4.511,814 8.054,815 19.375,817 15.773,819 2.554,820 71.5,823 223.651,824 73.567,825 9.373,826 117.446,827 103.973,830 73.567,831 445.07,832 9.373,834 22.838,835 71.112,836 76.956,837 16.007,839 223.651,840 117.446,841 223.651,842 82.94,843 103.973,844 117.446,846 223.651,847 50.29,848 53.683,849 29.086,850 47.596,851 123.703,853 223.651,854 113.346,855 191.013,858 223.651,859 45.138,860 37.802,862 221.419,863 223.651,864 113.346,865 191.013,867 0.579,868 0.349,869 0.181,870 0.097,871 19,872 10,873 0.14,874 7,876 1,877 3.888,878 237.832,880 17,881 130.606,884 21.677,885 9.649,886 4.772,888 113.346,889 4.557,894 0.918,896 42.683,897 528.01,898 36,901 25.533,903 -0.905,905 49.422,906 54.317,907 0.332,908 0.625,909 0.763,910 0.888,911 0.896,912 0.896,913 4.879,914 1.414,915 5.838,916 4.071,917 4.443,918 4.804,919 2.219,920 6.691,921 4.268,922 6.062,923 1.345,924 7.431,925 3.512,926 4.111,927 4.677,928 0.766,929 7.708,930 3.808,931 7.373,932 1.038,933 9.13,934 3.348,935 6.071,936 6.884,937 2.264,938 10.865,939 5.76,940 8.721,941 1,942 10.891,943 2.275,944 6.581,945 7.587,946 1.148,947 12.752,948 6.164,949 10.108,950 0.298,951 12.693,952 1.925,953 8.03,954 9.314,955 2.514,956 15.458,957 7.597,958 11.522,959 0.233,960 14.524,961 0.558,962 8.923,963 10.383,964 1.7,965 17.709,966 8.413,967 12.957,968 -0.027,969 16.376,970 0.52,971 10.194,972 11.929,973 2.892,974 20.274,975 9.653,976 3.384,977 -0.212,978 18.246,979 -0.057,980 11.259,981 13.166,982 2.342,983 22.677,984 10.658,985 2.845,986 12.305,987 20.13,988 -0.505,989 12.471,990 14.635,991 3.35,992 25.198,993 11.833,994 2.631,995 9.383,996 22.027,997 4.123,998 13.613,999 15.951,1000 3.004,1001 27.662,1002 12.922,1003 2.379,1004 7.998,1005 23.933,1006 3.831,1007 14.812,1008 17.384,1009 3.856,1010 30.171,1011 14.078,1012 2.102,1013 7.053,1014 25.848,1015 2.996,1016 15.989,1017 18.74,1018 3.661,1019 32.661,1020 15.206,1021 1.785,1022 6.525,1023 27.77,1024 2.629,1025 17.19,1026 20.157,1027 4.391,1028 35.168,1029 16.359,1030 1.687,1031 5.239,1032 29.698,1033 2.454,1034 18.384,1035 21.534,1036 4.308,1037 37.668,1038 17.504,1039 9411,1040 18632,1041 19.304,1042 33.023,1043 44.751,1044 47.962,1045 47.546,1046 44.66,1047 44.281,1048 52.365,1049 9.218,1050 129.425,1051 40.066,1052 5.665,1053 6.048,1054 7.07,1055 5.403,1056 5.384,1057 7.123,1058 2.549,1059 19.852,1060 5.201,1061 16.836,1062 1.492,1063 1.599,1064 1.585,1065 1.489,1066 1.476,1067 1.746,1068 0.307,1069 4.314,1070 1.336,1071 4.008,1072 4.037,1073 4.142,1074 3.901,1075 7.447,1076 3.907,1077 3.848,1078 3.896,1079 4.005,1080 3.719,1081 7.408,1082 3.727,1083 3.702,1084 3.724,1085 3.681,1086 3.529,1087 6.457,1088 3.544,1089 3.559,1090 3.602,1091 3.426,1092 3.318,1093 5.04,1094 3.331,1095 3.304,1096 3.377,1097 3.409,1098 3.089,1099 4.758,1100 3.083,1101 3.111,1102 3.206,1103 3.374,1104 2.941,1105 4.562,1106 2.91,1107 2.936,1108 2.983,1109 3.154,1110 2.842,1111 4.491,1112 2.825,1113 2.884,1114 2.921,1115 3.054,1116 2.781,1117 4.294,1118 2.758,1119 0.155,1120 0.135,1121 0.238,1122 0.145,1123 0.113,1124 4.665,1125 0.137,1126 4.048,1127 0.045,1128 7.133,1129 0.41,1130 4.336,1131 0.107,1132 3.384,1133 4.123,1134 1.349,1135 12.305,1136 3.201,1137 1.876,1138 1.86,1139 1.993,1140 2.025,1141 1.318,1142 2.021,1143 1.801,1144 1.738,1145 1.925,1146 1.955,1147 1.066,1148 1.958,1149 1.538,1150 1.5,1151 1.78,1152 1.799,1153 1.017,1154 1.792,1155 1.418,1156 1.388,1157 1.625,1158 1.623,1159 0.896,1160 1.621,1161 1.265,1162 1.236,1163 1.513,1164 1.503,1165 0.825,1166 1.462,1167 1.215,1168 1.17,1169 1.384,1170 1.451,1171 0.593,1172 1.429,1173 1.153,1174 1.064,1175 1.238,1176 1.376,1177 0.284,1178 1.423,1179 0.868,1180 0.824,1181 1.08,1182 1.067,1183 0.234,1184 1.062,1185 4.111,1186 5.434,1187 2.398,1188 6.957,1189 4.949,1190 8.576,1191 7.195,1192 10.246,1195 18.171,1199 8.723,1200 4.166,1202 5.28,1205 5.056,1209 31.674,1210 89.071,1211 167.449,1212 204.594,1213 238.078,1214 240.078,1215 240.078,1216 75.975,1217 7.318,1218 75.01,1219 75.01,1220 17,1221 12.658,1222 3.322,1223 2.807,1224 49.902,1225 113,1226 160,1227 0.215,1228 205.055,1229 369.93,1230 492.093,1231 13781,1232 6.3,1233 20.259,1234 0.724,1235 0.618,1236 21.759,1237 17.304,1238 13.435,1239 0.448,1240 0.332,1241 8.751,1242 11.948,1243 8.534,1244 6.905,1245 14.301,1246 9.966,1247 11.89,1248 0.283,1249 0.18,1250 12.965,1251 7.564,1252 10.343,1253 0.181,1254 0.1,1255 11.712,1256 5.722,1257 8.293,1258 0.112,1259 0.051,1260 9.078,1261 3.757,1262 6.434,1263 0.071,1264 0.028,1265 7.14,1266 2.584,1267 0.34,1268 94.684,1269 0.228,1270 26.958,1271 0.583,1272 144,1273 514.902,1274 206.882,1275 567.733,1276 722.05,1277 526,1278 171,1279 433.167,1280 230.959,1281 461.147,1282 687.99,1283 433,1284 4}
{0 CHEMBL1322709,1 1.934,2 6.048,3 3.686,4 13.584,5 73.781,6 9.928,7 0.261,8 3.622,9 3.706,10 3.39,11 3.186,12 4.877,13 3.208,14 4.219,15 4.33,16 3.938,17 3.65,18 6.038,19 3.655,20 4.511,21 4.677,22 3.998,23 3.839,24 5.77,25 3.804,26 4.639,27 4.818,28 4.129,29 3.833,30 6.065,31 3.83,32 4.582,33 4.752,34 3.999,35 3.687,36 6.043,37 3.695,38 4.388,39 4.567,40 3.897,41 3.287,42 6.092,43 3.349,44 4.033,45 4.205,46 3.577,47 2.535,48 6.337,49 2.757,50 3.243,51 3.549,52 1.157,53 1.443,54 4.788,55 1.447,56 0.27,57 0.664,58 3.291,59 3.145,60 51.891,61 2.879,62 0.934,63 1.441,64 7.902,65 5.774,66 174.844,67 5.646,68 0.823,69 1.284,70 16.023,71 7.955,72 126.641,73 8.901,74 1.188,75 1.454,76 22.448,77 8.432,78 168.005,79 8.789,80 1.269,81 1.326,82 23.259,83 8.58,84 218.501,85 7.808,86 1.331,87 1.072,88 26.434,89 7.317,90 210.827,91 6.264,92 1.444,93 0.794,94 15.472,95 4.3,96 264.961,97 3.305,98 0.692,99 0.306,100 11.394,101 2.113,102 118.28,103 1.283,104 41,105 36,106 0.366,107 0.766,108 0.882,109 0.906,110 0.906,111 0.906,112 3.106,113 0.879,114 -4.84,115 -4.75,116 -4.46,118 43.8,120 1,121 2,124 1,127 1,128 2,131 2,132 2,133 2,142 1,151 1,153 1,154 8,160 1,162 3,163 1,164 12,165 1,169 1,172 1,173 1,174 4,176 7,177 2,180 2,185 6,187 8,188 4,192 4,196 4,199 8,200 1,204 1,209 1,212 2,213 2,217 2,222 2,253 467,254 13.386,255 13.386,256 13.386,257 13.386,258 13.386,259 12.255,260 17.392,261 7.43,262 13.798,263 11.328,264 11.328,265 11.328,266 11.328,267 11.328,268 9.574,269 23.11,270 3.467,271 12.134,272 3.066,273 0.949,274 0.336,275 0.211,276 0.211,277 0.211,278 3.772,279 1,280 1,281 1,282 1,283 266,284 3.536,285 32.605,286 76.543,288 56.995,289 65.809,291 0.816,292 50.017,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 49.333,304 127,305 4.687,306 4.473,307 7.334,308 4.406,309 3.471,310 4.278,311 3.825,312 12.793,313 3.302,314 4.262,315 3.819,316 6.909,317 4.092,318 3.177,319 3.432,320 2.375,321 11.39,322 2.9,323 3.931,324 3.482,325 6.307,326 3.647,327 2.702,328 3.145,329 0.68,330 9.292,331 2.516,332 3.535,333 2.826,334 5.652,335 3.26,336 2.301,337 2.672,338 0.458,339 7.29,340 2.152,341 3.239,342 2.509,343 5.138,344 2.813,345 1.922,346 2.426,348 5.664,349 1.649,350 2.885,351 2.116,352 4.535,353 2.501,354 1.527,355 1.996,357 4.244,358 1.463,359 2.712,360 1.766,361 4.201,362 2.26,363 1.285,364 1.624,365 3.332,366 1.226,367 2.283,368 1.353,369 3.496,370 1.977,371 1.004,372 1.187,373 2.348,374 0.957,375 1.779,376 0.951,377 3.462,378 1.574,379 0.597,380 0.675,382 1.613,383 0.579,384 1.216,385 0.602,386 3.057,387 0.809,388 -0.053,389 -0.064,391 -0.131,392 -0.038,393 0.967,394 0.51,395 2.834,396 0.674,397 -0.272,398 -0.306,400 -0.837,401 -0.25,402 0.459,403 0.51,404 2.512,405 0.081,406 -0.88,407 -1,409 -2,410 -0.7,411 0.339,412 0.51,413 2.271,414 -0.009,415 -1,416 -1,418 -2.476,419 -0.7,420 0.056,421 0.102,422 2.068,423 -0.3,424 -1,425 -1.027,427 -3,428 -0.79,430 -0.541,431 2,432 -0.3,433 -1,434 -1.321,436 -3,437 -0.954,438 9.638,439 0.459,440 0.868,441 0.041,442 22.5,443 1.071,444 9,445 0.429,446 13.5,447 0.643,448 19.235,449 0.916,450 23.962,451 0.749,452 18.454,453 0.879,454 4.45,455 0.212,456 5.354,457 0.255,458 0.232,459 0.052,460 0.415,461 3,462 0.623,463 0.842,464 0.526,465 0.826,466 0.636,467 0.776,468 0.353,469 0.706,470 0.561,471 0.909,472 0.324,473 0.976,474 0.533,475 0.809,476 0.752,477 0.993,478 0.516,479 1.059,480 0.832,481 0.812,482 0.948,483 0.938,484 0.823,485 0.966,486 1.238,487 1.051,488 1.24,489 1.081,490 1.235,491 1.081,492 1.386,493 1.335,494 1.404,495 1.365,496 1.426,497 1.152,498 1.413,499 1.566,500 0.912,501 1.022,502 1.448,503 0.903,504 3.187,505 1.302,506 2.272,507 0.283,508 3.165,509 0.748,510 5.5,512 3.333,513 2.118,514 1.985,515 1.573,516 0.743,517 0.178,520 3312,521 15424,522 1.979,523 34.4,524 3,525 5,528 2,530 1,531 1.645,532 1.762,533 2.645,534 0.425,536 1,538 1,540 61.888,541 1.934,542 4.051,543 4.664,544 4.789,545 4.789,546 4.789,547 1.819,548 3.88,549 4.368,550 2.748,551 577.03,552 7.547,553 5961.85,554 1,555 1,556 1,557 1,558 160,559 1.772,560 4.262,561 0.239,563 0.093,564 0.056,565 0.05,566 0.048,567 0.031,568 0.011,571 0.527,572 0.67,573 1,574 1.049,575 90.374,576 -0.064,577 0.033,578 -0.02,579 0.105,580 -0.076,581 0.091,582 0.376,583 0.295,584 0.058,585 0.037,586 0.412,587 -0.085,588 0.045,589 -0.11,590 0.045,591 -0.066,592 0.045,593 -0.047,594 -0.042,595 0.007,596 0.001,597 -0.005,598 -0.063,599 0.015,600 -0.258,601 -0.155,602 -0.163,603 -0.097,604 -0.254,605 -0.093,606 -0.143,607 -0.256,608 -0.046,609 -0.32,610 -0.195,611 -0.143,612 0.371,613 -0.14,614 0.226,615 -0.042,616 0.423,617 -0.017,618 -1.062,619 0.542,620 -0.837,621 0.785,622 -0.998,623 0.289,624 5.82,625 5.131,626 0.619,627 11.773,628 1.056,629 1.15,630 3.612,631 13.048,632 0.685,633 3.178,634 3.611,635 3.912,636 4.263,637 4.533,638 4.754,639 4.86,640 4.828,641 4.82,642 4.7,643 4.153,644 0.691,645 317.71,646 3.178,647 4.779,648 5.666,649 6.611,650 7.527,651 8.474,652 9.399,653 10.346,654 11.275,655 12.222,656 3.1,659 1,667 2,672 4,674 6,683 1,687 1,688 32,689 8,690 1,691 23,693 34,694 14,695 6,696 4,697 2,700 3,701 6,702 1,704 1,705 2,706 2,707 1,708 2,710 9,711 5,712 2,714 2,717 1,718 2,719 1,721 1,722 1,723 3,725 11,726 6,727 2,728 7,729 1,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,762 1,763 3,765 21,768 1,769 1,770 1,773 3,775 1,781 4,782 6.3,784 1,785 1,789 11.917,790 5.521,791 4.361,792 1.853,794 1.686,795 1.241,796 0.951,797 3.36,798 8.692,799 3.367,800 3.961,801 4.474,802 5.039,803 5.554,804 5.904,805 6.177,806 6.353,807 6.606,808 6.648,809 0.75,810 38,811 8.384,813 4.39,814 8.676,815 13.983,817 12.304,819 3.176,820 66.694,823 105.94,824 61.737,825 18.011,826 39.149,827 67.828,828 44.88,830 61.737,831 212.917,832 62.891,834 2.535,835 37.905,836 86.749,837 57.509,839 105.94,840 46.908,841 105.94,842 79.748,843 112.709,844 39.149,846 94.169,847 124.48,849 10.294,850 32.491,851 76.112,853 150.82,854 85.839,855 100.886,858 113.699,859 16.073,860 37.905,861 18.011,862 151.857,863 105.94,864 130.719,865 100.886,867 0.613,868 0.355,869 0.198,870 0.114,871 20,872 10,873 0.029,874 1,875 2,876 1.308,877 3.017,878 177.72,879 0.308,880 13,881 87.484,884 14.581,885 4.839,886 2.277,888 130.719,889 2.098,894 -0.541,896 60.694,897 337.545,898 28,901 11.348,902 3.533,903 -1.16,905 33.803,906 36.787,907 0.387,908 0.81,909 0.933,910 0.958,911 0.958,912 0.958,913 4.696,914 1.004,915 5.753,916 3.332,917 4.29,918 4.644,919 3.44,920 6.711,921 4.166,922 5.946,923 0.597,924 7.416,925 2.348,926 4.29,927 4.691,928 4.06,929 8.042,930 4.004,931 7.303,932 -0.053,933 9.189,934 1.613,935 6.08,936 6.792,937 5.583,938 11.133,939 5.839,940 8.69,941 -0.272,942 11.023,943 -0.131,944 6.825,945 7.589,946 6.766,947 13.203,948 6.446,949 10.108,950 -0.88,951 12.894,952 -0.837,953 8.209,954 9.276,955 8.119,956 15.9,957 7.839,958 11.548,959 -1,960 14.79,961 -2,962 9.24,963 10.406,964 9.421,965 18.242,966 8.769,967 13.003,968 -1,969 16.702,970 -2.476,971 10.501,972 11.947,973 10.757,974 20.818,975 10.008,976 3.471,977 -1,978 18.627,979 -3,980 11.644,981 13.237,982 12.087,983 23.268,984 11.076,985 3.177,986 12.793,987 20.561,988 -3,989 12.869,990 14.721,991 13.425,992 25.806,993 12.265,994 2.702,995 11.39,996 22.502,997 4.278,998 14.057,999 16.09,1000 14.763,1001 28.301,1002 13.393,1003 2.301,1004 9.292,1005 24.45,1006 3.432,1007 15.276,1008 17.552,1009 16.103,1010 30.831,1011 14.568,1012 1.922,1013 7.29,1014 26.402,1015 3.145,1016 16.483,1017 18.961,1018 17.443,1019 33.346,1020 15.724,1021 1.527,1022 5.664,1023 28.359,1024 2.672,1025 17.703,1026 20.415,1027 18.784,1028 35.875,1029 16.898,1030 1.285,1031 4.244,1032 30.319,1033 2.426,1034 18.921,1035 21.844,1036 20.125,1037 38.401,1038 18.067,1039 3395,1040 7395,1041 14.334,1042 21.915,1043 36.717,1044 36.012,1045 37.718,1046 36.391,1047 35.969,1048 42.87,1049 14.676,1050 115.931,1051 33.488,1052 5.638,1053 6.473,1054 6.804,1055 5.449,1056 5.471,1057 7.278,1058 5.438,1059 20.744,1060 5.302,1061 13.074,1062 1.596,1063 1.566,1064 1.64,1065 1.582,1066 1.564,1067 1.864,1068 0.638,1069 5.04,1070 1.456,1071 4.078,1072 4.105,1073 4.104,1074 4.007,1075 8.513,1076 4.007,1077 3.754,1078 3.785,1079 3.738,1080 3.668,1081 7.999,1082 3.663,1083 3.469,1084 3.488,1085 3.565,1086 3.248,1087 7.999,1088 3.279,1089 3.311,1090 3.346,1091 3.384,1092 3.048,1093 7.474,1094 3.089,1095 2.977,1096 3.019,1097 3.046,1098 2.789,1099 6.351,1100 2.793,1101 2.801,1102 2.865,1103 2.835,1104 2.534,1105 4.917,1106 2.558,1107 2.659,1108 2.73,1109 2.605,1110 2.387,1111 4.486,1112 2.436,1113 2.426,1114 2.504,1115 2.396,1116 2.249,1117 4.262,1118 2.219,1119 0.204,1120 0.194,1121 0.319,1122 0.192,1123 0.151,1124 4.687,1125 0.186,1126 4.473,1127 0.166,1128 7.334,1129 0.556,1130 4.406,1131 0.144,1132 3.471,1133 4.278,1134 3.825,1135 12.793,1136 3.302,1137 1.975,1138 1.956,1139 2.039,1140 2.07,1141 1.388,1142 2.064,1143 1.624,1144 1.588,1145 1.804,1146 1.781,1147 1.061,1148 1.782,1149 1.504,1150 1.464,1151 1.672,1152 1.641,1153 0.837,1154 1.652,1155 1.172,1156 1.148,1157 1.337,1158 1.456,1159 0.516,1160 1.408,1161 1.014,1162 0.995,1163 1.086,1164 1.34,1165 0.163,1166 1.267,1167 0.763,1168 0.702,1169 0.956,1170 1.107,1171 0.087,1172 1.063,1173 0.514,1174 0.467,1175 0.776,1176 0.788,1178 0.811,1179 0.265,1180 0.207,1181 0.673,1182 0.61,1184 0.627,1185 3.85,1186 5.252,1187 2.398,1188 6.847,1189 4.595,1190 8.541,1191 6.629,1192 10.292,1195 6.069,1196 39.393,1199 9.269,1200 0.501,1201 2.54,1204 -1.787,1206 -4.57,1209 22.116,1210 61.888,1211 129.635,1212 149.245,1213 153.245,1214 153.245,1215 153.245,1216 60.103,1217 7.006,1218 49.33,1219 49.33,1220 17,1221 12.716,1222 3.17,1223 2.585,1224 31.702,1225 53,1226 43,1227 0.319,1228 134.96,1229 251.58,1230 321.063,1231 8303,1232 12.5,1233 15.361,1234 0.731,1235 0.542,1236 13.361,1237 11.372,1238 9.804,1239 0.426,1240 0.293,1241 6.267,1242 9.017,1243 6.198,1244 4.992,1245 8.881,1246 6.738,1247 10.171,1248 0.283,1249 0.156,1250 8.546,1251 5.602,1252 7.783,1253 0.159,1254 0.089,1255 7.366,1256 4.368,1257 6.958,1258 0.099,1259 0.049,1260 6.476,1261 3.428,1262 5.576,1263 0.061,1264 0.026,1265 5.55,1266 2.402,1267 0.46,1268 65.81,1269 0.264,1270 19.647,1271 1.016,1272 118,1273 550.755,1274 157.018,1275 476.311,1276 597.48,1277 436,1278 144,1279 382.501,1280 172.284,1281 375.576,1282 577.26,1283 353,1284 4}
{0 CHEMBL1333555,1 1.779,2 6,3 3.021,4 9.128,5 68.977,6 8.852,7 0.273,8 3.614,9 3.707,10 3.288,11 3.15,12 4.849,13 3.174,14 4.209,15 4.332,16 3.819,17 3.605,18 6.015,19 3.611,20 4.497,21 4.68,22 3.821,23 3.774,24 5.721,25 3.742,26 4.62,27 4.821,28 3.905,29 3.748,30 6.001,31 3.75,32 4.56,33 4.755,34 3.746,35 3.57,36 5.998,37 3.591,38 4.351,39 4.573,40 3.46,41 3.169,42 5.87,43 3.225,44 4.018,45 4.207,46 3.336,47 2.471,48 6.264,49 2.679,50 3.231,51 3.551,52 1.078,53 1.362,54 4.762,55 1.394,56 0.215,57 0.679,58 4.628,59 3.279,60 45.444,61 3.197,62 0.871,63 1.46,64 10.378,65 5.834,66 167.977,67 6.094,68 0.666,69 1.316,70 16.421,71 7.684,72 109.244,73 9.192,74 1.004,75 1.489,76 21.127,77 7.868,78 148.661,79 9.009,80 1.048,81 1.363,82 21.003,83 7.801,84 189.393,85 7.917,86 1.019,87 1.152,88 19.55,89 6.285,90 184.487,91 6.083,92 1.346,93 0.789,94 14.999,95 3.796,96 256.982,97 3.107,98 0.63,99 0.298,100 9.701,101 1.723,102 111.678,103 1.071,104 30,105 34,106 0.337,107 0.729,108 0.854,109 0.894,110 0.906,111 0.906,112 3.061,113 0.853,114 -4.33,115 -4.26,116 -4.02,118 43.8,120 1,121 2,124 1,127 1,128 2,131 3,132 2,133 1,142 1,151 1,153 1,154 10,160 1,162 3,163 1,164 12,165 1,169 1,172 1,173 1,174 5,176 8,177 2,180 2,185 5,187 7,188 4,192 4,196 4,199 6,200 2,204 2,209 2,212 2,213 1,217 1,222 1,253 404,254 12.886,255 12.886,256 12.886,257 12.886,258 12.886,259 11.807,260 17.136,261 7.242,262 13.188,263 10.855,264 10.855,265 10.855,266 10.855,267 10.855,268 9.184,269 23.759,270 3.38,271 11.431,272 3.221,273 1.148,274 0.485,275 0.274,276 0.211,277 0.211,278 3.728,281 1,282 1,283 253,284 3.464,285 30.757,286 72.53,288 53.968,289 62.249,291 0.8,292 45.48,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 47,304 120,305 4.643,306 4.472,307 7.309,308 4.377,309 3.447,310 4.18,311 3.825,312 12.62,313 3.286,314 4.239,315 3.811,316 6.838,317 4.088,318 3.161,319 3.374,320 2.375,321 11.217,322 2.899,323 3.82,324 3.368,325 6.146,326 3.551,327 2.578,328 3.027,329 0.68,330 8.77,331 2.482,332 3.516,333 2.639,334 5.652,335 3.239,336 2.289,337 2.643,338 0.458,339 7.289,340 2.127,341 2.928,342 2.274,343 4.764,344 2.57,345 1.598,346 2.077,348 4.612,349 1.523,350 2.885,351 1.771,352 4.204,353 2.451,354 1.471,355 1.973,357 3.557,358 1.433,359 2.696,360 1.464,361 3.878,362 2.201,363 1.209,364 1.604,365 2.954,366 1.188,367 2.172,368 1.244,369 3.477,370 1.88,371 0.897,372 1.062,373 2.211,374 0.876,375 1.769,376 0.938,377 3.366,378 1.573,379 0.597,380 0.673,382 1.587,383 0.579,384 1.039,385 0.515,386 2.959,387 0.735,388 -0.233,389 -0.269,391 -0.667,392 -0.222,393 0.763,394 0.51,395 2.534,396 0.392,397 -0.599,398 -0.762,400 -1.539,401 -0.593,402 0.452,403 0.51,404 2.462,405 0.038,406 -0.946,407 -1,409 -2,410 -0.7,411 0.303,412 0.109,413 2.181,414 -0.013,415 -1,416 -1,418 -2.695,419 -0.7,421 -0.339,422 2,423 -0.3,424 -1,425 -1.115,427 -3,428 -0.91,430 -0.62,431 2,432 -0.3,433 -1,434 -1.331,436 -3,437 -0.975,438 8.924,439 0.446,440 0.779,441 0.039,442 21.75,443 1.088,444 9,445 0.45,446 12.75,447 0.638,448 16.8,449 0.84,450 22.876,451 0.715,452 17.642,453 0.882,454 4.362,455 0.218,456 5.031,457 0.252,458 0.171,459 0.056,460 0.392,461 3,462 0.611,463 0.849,464 0.62,465 0.941,466 0.627,467 0.845,468 0.326,469 0.716,470 0.655,471 1.037,472 0.314,473 1.052,474 0.488,475 0.818,476 0.761,477 1.087,478 0.493,479 1.105,480 0.792,481 0.817,482 0.891,483 0.968,484 0.795,485 0.983,486 1.164,487 1.062,488 1.099,489 1.113,490 1.174,491 1.084,492 1.495,493 1.299,494 1.197,495 1.086,496 1.511,497 1.001,498 1.594,499 1.557,500 1.251,501 0.959,502 1.57,503 0.915,504 3.219,505 1.294,506 2.624,507 0.114,508 3.146,509 0.597,510 5,512 3.111,513 1.806,514 1.702,515 1.264,516 0.661,517 0.178,520 2993,521 12379,522 2.007,523 37.5,524 3,525 6,528 2,530 1,531 1.629,532 1.805,533 2.649,534 0.41,536 1,537 1,538 1,540 56.923,541 1.779,542 3.852,543 4.515,544 4.726,545 4.789,546 4.789,547 1.846,548 3.684,549 4.298,550 2.742,551 520.926,552 7.398,553 5193.22,554 1,555 1,556 1,557 1,558 160,559 1.776,560 4.203,561 0.227,563 0.092,564 0.052,565 0.047,566 0.044,567 0.033,568 0.013,571 0.507,572 0.83,573 1,574 1.048,575 84.695,576 -0.061,577 0.033,578 -0.015,579 0.114,580 -0.08,581 0.095,582 0.404,583 0.289,584 0.071,585 0.005,586 0.416,587 -0.111,588 0.06,589 -0.114,590 0.048,591 -0.116,592 0.05,593 -0.081,594 -0.018,595 0.004,596 0.026,597 -0.035,598 -0.044,599 -0.002,600 -0.192,601 -0.165,602 -0.105,603 -0.158,604 -0.192,605 -0.104,606 -0.267,607 -0.221,608 -0.053,609 -0.126,610 -0.275,611 -0.014,612 0.281,613 -0.144,614 0.092,615 -0.037,616 0.343,617 -0.076,618 -0.983,619 0.526,620 -0.954,621 0.82,622 -0.927,623 0.328,624 5.753,625 5.042,626 0.65,627 10.7,628 1.046,629 1.151,630 3.098,631 9.597,632 0.658,633 3.135,634 3.555,635 3.85,636 4.19,637 4.443,638 4.615,639 4.771,640 4.762,641 4.71,642 4.543,643 4.091,644 0.665,645 283.27,646 3.135,647 4.727,648 5.609,649 6.547,650 7.456,651 8.395,652 9.315,653 10.253,654 11.176,655 12.113,656 3.1,659 1,667 3,672 3,674 6,683 1,688 32,689 8,690 1,691 22,693 34,694 14,695 6,696 3,697 3,700 3,701 6,704 1,705 2,706 2,707 1,708 2,710 9,711 5,712 2,714 2,717 1,718 2,719 1,721 1,722 1,723 3,725 12,726 6,727 2,728 6,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,763 3,765 20,768 1,769 1,770 1,773 3,775 1,781 3,782 6.3,784 1,785 1,789 11.083,790 5.462,791 4.167,792 1.865,794 1.685,795 1.244,796 0.951,797 2.963,798 8.591,799 3.332,800 3.902,801 4.404,802 4.958,803 5.452,804 5.749,805 6.1,806 6.29,807 6.497,808 6.529,809 0.75,810 35,811 7.97,813 4.143,814 8.646,815 13.422,817 11.822,819 3.146,820 62.917,823 117.711,824 67.713,825 18.011,827 67.828,828 44.88,830 67.713,831 185.539,832 62.891,834 2.535,835 47.381,836 86.749,837 54.008,839 117.711,840 7.76,841 117.711,842 85.724,843 112.709,846 105.94,847 124.48,849 10.294,850 38.467,851 36.963,853 162.591,854 85.839,855 67.713,858 125.471,859 12.572,860 47.381,861 18.011,862 112.709,863 117.711,864 130.719,865 67.713,867 0.609,868 0.352,869 0.197,870 0.11,871 19,872 9,873 0.029,874 1,875 2,876 1.308,877 2.983,878 164.363,879 0.308,880 13,881 81.684,884 13.351,885 4.439,886 2.09,888 130.719,889 3.973,894 -0.378,896 60.694,897 316.143,898 27,901 11.296,902 3.642,903 -1.119,905 33.48,906 36.843,907 0.356,908 0.77,909 0.903,910 0.945,911 0.958,912 0.958,913 4.649,914 0.897,915 5.687,916 2.954,917 4.234,918 4.585,919 3.44,920 6.635,921 4.141,922 5.887,923 0.597,924 7.343,925 2.211,926 4.205,927 4.559,928 4.06,929 7.962,930 3.96,931 7.234,932 -0.233,933 9.111,934 1.587,935 6.014,936 6.696,937 5.583,938 11.042,939 5.811,940 8.613,941 -0.599,942 10.942,943 -0.667,944 6.746,945 7.432,946 6.766,947 13.107,948 6.408,949 10.023,950 -0.946,951 12.811,952 -1.539,953 8.138,954 9.141,955 8.119,956 15.792,957 7.808,958 11.456,959 -1,960 14.706,961 -2,962 9.163,963 10.221,964 9.421,965 18.124,966 8.731,967 12.905,968 -1,969 16.616,970 -2.695,971 10.425,972 11.769,973 10.757,974 20.69,975 9.972,976 3.447,977 -1,978 18.539,979 -3,980 11.562,981 13.017,982 12.087,983 23.128,984 11.034,985 3.161,986 12.62,987 20.472,988 -3,989 12.786,990 14.496,991 13.425,992 25.656,993 12.221,994 2.578,995 11.217,996 22.411,997 4.18,998 13.969,999 15.829,1000 14.763,1001 28.138,1002 13.344,1003 2.289,1004 8.77,1005 24.356,1006 3.374,1007 15.184,1008 17.279,1009 16.103,1010 30.657,1011 14.516,1012 1.598,1013 7.289,1014 26.307,1015 3.027,1016 16.387,1017 18.657,1018 17.443,1019 33.159,1020 15.666,1021 1.471,1022 4.612,1023 28.261,1024 2.643,1025 17.602,1026 20.095,1027 18.784,1028 35.677,1029 16.837,1030 1.209,1031 3.557,1032 30.218,1033 2.077,1034 18.814,1035 21.496,1036 20.125,1037 38.189,1038 18.001,1039 3049,1040 6285,1041 13.929,1042 21.057,1043 35.242,1044 34.151,1045 35.63,1046 34.763,1047 34.493,1048 41.224,1049 14.676,1050 109.633,1051 32.786,1052 5.593,1053 6.472,1054 6.821,1055 5.42,1056 5.447,1057 7.18,1058 5.438,1059 20.561,1060 5.286,1061 11.574,1062 1.602,1063 1.552,1064 1.62,1065 1.58,1066 1.568,1067 1.874,1068 0.667,1069 4.983,1070 1.49,1071 4.075,1072 4.105,1073 4.025,1074 3.999,1075 8.513,1076 3.999,1077 3.752,1078 3.786,1079 3.692,1080 3.661,1081 7.999,1082 3.658,1083 3.468,1084 3.488,1085 3.404,1086 3.245,1087 7.999,1088 3.276,1089 3.302,1090 3.348,1091 3.3,1092 3.013,1093 7.474,1094 3.062,1095 2.976,1096 3.019,1097 2.874,1098 2.788,1099 6.351,1100 2.792,1101 2.799,1102 2.866,1103 2.644,1104 2.534,1105 4.741,1106 2.556,1107 2.648,1108 2.731,1109 2.509,1110 2.362,1111 4.396,1112 2.411,1113 2.405,1114 2.508,1115 2.157,1116 2.201,1117 4.008,1118 2.179,1119 0.211,1120 0.203,1121 0.332,1122 0.199,1123 0.157,1124 4.643,1125 0.19,1126 4.472,1127 0.174,1128 7.309,1129 0.574,1130 4.377,1131 0.149,1132 3.447,1133 4.18,1134 3.825,1135 12.62,1136 3.286,1137 1.979,1138 1.955,1139 2.065,1140 2.079,1141 1.386,1142 2.075,1143 1.625,1144 1.588,1145 1.811,1146 1.785,1147 1.062,1148 1.787,1149 1.504,1150 1.464,1151 1.68,1152 1.641,1153 0.838,1154 1.653,1155 1.178,1156 1.147,1157 1.351,1158 1.467,1159 0.521,1160 1.417,1161 1.022,1162 0.993,1163 1.149,1164 1.353,1165 0.217,1166 1.288,1167 0.764,1168 0.702,1169 0.998,1170 1.108,1171 0.107,1172 1.063,1173 0.526,1174 0.465,1175 0.791,1176 0.827,1178 0.85,1179 0.277,1180 0.205,1181 0.679,1182 0.644,1184 0.652,1185 3.807,1186 5.198,1187 2.398,1188 6.786,1189 4.595,1190 8.471,1191 6.629,1192 10.212,1196 39.127,1199 9.233,1200 0.56,1201 2.583,1204 -1.496,1206 -4.503,1209 21.289,1210 56.923,1211 123.271,1212 144.49,1213 151.245,1214 153.245,1215 153.245,1216 52.401,1217 6.907,1218 49.33,1219 49.33,1220 17,1221 12.613,1222 3.17,1223 2.585,1224 29.561,1225 50,1226 39,1227 0.316,1228 126.627,1229 236.37,1230 300.731,1231 7465,1232 9.4,1233 14.491,1234 0.725,1235 0.516,1236 11.991,1237 10.315,1238 9.393,1239 0.427,1240 0.284,1241 6.131,1242 8.898,1243 6.096,1244 4.933,1245 8.182,1246 6.255,1247 9.633,1248 0.283,1249 0.149,1250 7.638,1251 5.081,1252 7.357,1253 0.16,1254 0.086,1255 6.603,1256 3.968,1257 6.582,1258 0.101,1259 0.048,1260 5.801,1261 3.102,1262 5.321,1263 0.063,1264 0.025,1265 4.697,1266 2.113,1267 0.457,1268 60.17,1269 0.268,1270 18.878,1271 0.999,1272 112,1273 516.551,1274 135.499,1275 414.323,1276 525.51,1277 380,1278 136,1279 354.638,1280 152.574,1281 338.135,1282 520.31,1283 318,1284 4.695}
{0 CHEMBL1334412,1 1.412,2 5.944,3 3.051,4 9.31,5 73.085,6 6.952,7 0.3,8 3.649,9 3.764,10 3.156,11 3.23,12 4.709,13 3.19,14 4.215,15 4.38,16 3.575,17 3.687,18 5.294,19 3.619,20 4.528,21 4.719,22 3.663,23 3.875,24 5.507,25 3.773,26 4.663,27 4.894,28 3.677,29 3.883,30 5.627,31 3.78,32 4.611,33 4.833,34 3.448,35 3.746,36 5.724,37 3.623,38 4.474,39 4.773,40 2.863,41 3.422,42 5.336,43 3.204,44 4.001,45 4.321,46 2.555,47 2.856,48 4.997,49 2.674,50 3.559,51 3.8,52 1.287,53 2.182,54 4.792,55 1.976,56 0.036,57 0.477,58 7.756,59 3.527,60 7.389,61 4.617,62 0.154,63 0.819,64 14.318,65 6.219,66 34.723,67 8.496,68 0.225,69 1.083,70 20.285,71 8.227,72 34.696,73 11.357,74 0.197,75 1.182,76 24.14,77 9.012,78 36.113,79 12.591,80 0.249,81 1.079,82 23.266,83 8.257,84 47.945,85 11.256,86 0.22,87 0.854,88 21.196,89 7.735,90 42.112,91 10.95,92 0.095,93 0.512,94 13.28,95 4.69,96 24.056,97 6.76,98 0.268,99 0.278,100 9.187,101 2.382,102 50.111,103 2.861,104 18,105 30,106 0.262,107 0.65,108 0.827,109 0.858,110 0.89,111 0.89,112 2.964,113 0.952,114 -3.93,115 -3.89,116 -3.69,118 42.9,119 2,120 1,121 2,124 1,128 2,131 2,132 3,133 1,142 1,151 1,153 1,154 12,160 1,162 3,163 1,164 16,165 1,169 1,172 1,173 1,174 5,176 11,177 2,180 2,185 7,187 12,188 4,192 4,196 4,199 9,200 2,204 2,209 2,212 4,213 3,217 3,222 3,225 2,253 248,254 11.861,255 11.861,256 11.861,257 11.861,258 11.861,259 10.667,260 17.796,261 6.743,262 11.916,263 9.867,264 9.867,265 9.867,266 9.867,267 9.867,268 8.057,269 26.727,270 3.169,271 9.964,272 3.717,273 1.623,274 0.672,275 0.5,276 0.329,277 0.329,278 3.633,280 1,281 1,282 1,283 229,284 2.55,285 26.06,286 63.014,288 46.953,289 53.854,291 0.852,292 18.234,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 38.5,304 107,305 4.548,306 3.818,307 6.995,308 4.311,309 3.321,310 4.151,311 2.375,312 11.921,313 3.288,314 4.013,315 3.443,316 6.326,317 3.772,318 2.777,319 3.226,320 0.68,321 9.411,322 2.757,323 3.648,324 2.779,325 5.625,326 3.376,327 2.386,328 2.883,329 0.458,330 7.318,331 2.354,332 3.334,333 2.376,334 5.034,335 3.005,336 2.014,337 2.545,339 5.841,340 1.994,341 3.264,342 2.243,343 4.955,344 2.897,345 1.906,346 2.481,348 5.388,349 1.88,350 2.711,351 1.935,352 4.285,353 2.32,354 1.323,355 1.623,357 3.501,358 1.304,359 2.351,360 1.501,361 3.508,362 2.071,363 1.073,364 1.266,365 2.432,366 1.07,367 1.778,368 0.942,369 3.434,370 1.564,371 0.588,372 0.665,373 1.591,374 0.57,375 1.176,376 0.517,377 2.971,378 0.936,379 -0.06,380 -0.07,382 -0.167,383 -0.06,384 0.99,385 0.287,386 2.704,387 0.636,388 -0.351,389 -0.438,391 -0.993,392 -0.344,393 0.539,394 -0.125,395 2.433,396 0.337,397 -0.652,398 -0.714,400 -1.612,401 -0.64,402 0.379,403 -0.203,404 2.069,405 -0.008,406 -1,407 -1.174,409 -2,410 -0.968,411 0.221,412 -0.698,413 1.768,414 -0.013,415 -1,416 -1.325,418 -2.661,419 -0.986,420 -0.168,421 -0.998,422 1.501,423 -0.423,424 -1.412,425 -1.601,427 -3.98,428 -1.413,429 -0.231,430 -1.255,431 1.454,432 -0.519,433 -1.518,434 -1.814,436 -4.254,437 -1.519,438 8.567,439 0.476,440 0.597,441 0.033,442 20,443 1.111,444 9,445 0.5,446 11,447 0.611,448 15.941,449 0.886,450 19.633,451 0.561,452 12.746,453 0.708,454 3.764,455 0.209,456 4.811,457 0.267,458 0.195,460 0.467,462 0.794,463 1.068,464 0.863,465 0.978,466 0.724,467 0.933,468 0.396,469 1.09,470 0.789,471 0.995,472 0.339,473 0.952,474 0.668,475 1.17,476 1.042,477 1.138,478 0.731,479 1.143,480 0.922,481 1.069,482 0.939,483 1.001,484 0.867,485 0.972,486 1.357,487 1.107,488 1.28,489 1.187,490 1.247,491 1.206,492 0.925,493 0.896,494 0.967,495 0.972,496 1.013,497 0.983,498 0.727,499 0.872,500 0.638,501 0.913,502 0.72,503 0.789,504 3.8,505 0.702,506 2.04,507 0.79,508 4.107,509 1.14,510 4,512 2.222,513 1.743,514 1.585,515 0.817,516 0.392,517 0.096,520 2315,521 5725,522 2.053,523 48.6,524 9,525 5,528 2,530 1,531 1.597,532 1.862,533 2.606,534 0.32,536 1,538 1,540 49.435,541 1.412,542 3.506,543 4.458,544 4.629,545 4.8,546 4.8,547 1.878,548 3.419,549 4.145,550 2.676,551 409.414,552 7.084,553 3747.3,554 1,555 1,557 1,558 179.525,559 1.53,560 4.071,561 0.2,563 0.074,564 0.056,565 0.051,566 0.037,567 0.036,568 0.012,571 0.466,572 1,573 1,574 0.946,575 73.018,576 -0.08,577 0.09,578 0.02,579 0.109,580 -0.081,581 0.084,582 0.213,583 0.006,584 0.104,585 0.059,586 0.218,587 0.065,588 0.076,589 -0.106,590 -0.124,591 -0.127,592 -0.034,593 -0.155,594 -0.042,595 -0.062,596 0.02,597 -0.029,598 -0.042,600 -0.176,601 -0.107,602 -0.292,603 -0.241,604 -0.084,605 -0.269,606 -0.018,607 -0.048,608 0.022,609 -0.027,610 -0.042,611 -0.002,612 0.177,613 -0.056,614 0.372,615 0.013,616 0.24,617 0.192,618 -0.862,619 0.073,620 -0.823,621 0.037,622 -0.854,623 -0.337,624 2.418,625 4.386,626 0.722,627 9.333,628 0.995,629 1.121,630 2.704,631 7.314,632 0.657,633 3.045,634 3.434,635 3.761,636 4.127,637 4.357,638 4.522,639 4.605,640 4.575,641 4.564,642 4.29,643 3.837,644 0.619,645 243.33,646 3.045,647 4.615,648 5.501,649 6.428,650 7.338,651 8.27,652 9.187,653 10.119,654 11.039,655 11.971,656 2.9,659 1,667 2,672 4,674 6,683 1,688 35,689 8,690 1,691 20,693 37,694 15,695 6,696 4,697 2,700 3,701 6,704 2,705 2,706 2,708 2,710 9,711 6,712 2,714 2,717 1,718 2,719 1,722 1,725 17,726 3,727 2,728 3,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 2,765 18,768 1,769 1,770 1,773 3,782 5.7,784 1,785 1,789 9.667,790 6.7,791 3.833,792 2.14,794 1.676,795 1.25,796 0.945,797 2.614,798 8.386,799 3.258,800 3.839,801 4.347,802 4.921,803 5.401,804 5.703,805 5.944,806 6.158,807 6.422,808 6.313,809 0.75,810 31,811 6.705,813 2.976,814 7.796,815 12.949,817 11.371,819 2.296,820 41.333,821 0.002,823 176.567,824 71.313,825 18.011,827 67.828,830 71.313,831 244.395,832 18.011,833 17.65,834 2.535,835 37.905,836 86.749,837 12.313,839 176.567,841 176.567,842 89.324,843 67.828,846 164.795,847 79.599,849 20.185,850 32.176,851 36.963,853 176.567,854 85.839,855 71.313,858 176.567,859 15.758,860 55.555,861 18.011,862 67.828,863 176.567,864 85.839,865 71.313,867 0.599,868 0.358,869 0.213,870 0.117,871 17,872 8,873 0.027,874 1,875 2,876 1.308,877 2.874,878 141.012,879 0.308,880 13,881 75.059,884 11.638,885 4.043,886 1.747,888 85.839,889 4.228,894 4.691,896 60.694,897 333.719,898 25,901 11.386,902 4.282,903 -0.751,905 34.825,906 39.239,907 0.275,908 0.684,909 0.869,910 0.902,911 0.936,912 0.936,913 4.549,914 0.588,915 5.533,916 2.432,917 4.111,918 4.522,919 2.429,920 6.435,921 4.09,922 5.766,923 -0.06,924 7.149,925 1.591,926 3.892,927 4.443,928 2.243,929 7.503,930 3.862,931 7.091,932 -0.351,933 8.865,934 -0.167,935 5.784,936 6.635,937 3.71,938 10.665,939 5.743,940 8.445,941 -0.652,942 10.639,943 -0.993,944 6.347,945 7.321,946 4.173,947 12.555,948 6.298,949 9.829,950 -1,951 12.449,952 -1.612,953 7.771,954 9.059,955 5.293,956 15.255,957 7.711,958 11.234,959 -1,960 14.286,961 -2,962 8.684,963 10.107,964 5.987,965 17.485,966 8.616,967 12.656,968 -1.412,969 16.142,970 -2.661,971 9.943,972 11.67,973 6.966,974 20.031,975 9.864,976 3.321,977 -1.518,978 18.013,979 -3.98,980 11.011,981 12.9,982 7.754,983 22.403,984 10.923,985 2.777,986 11.921,987 19.895,988 -4.254,989 12.216,990 14.388,991 8.671,992 24.897,993 12.116,994 2.386,995 9.411,996 21.787,997 4.151,998 13.352,999 15.711,1000 9.5,1001 27.327,1002 13.243,1003 2.014,1004 7.318,1005 23.687,1006 3.226,1007 14.541,1008 17.165,1009 10.389,1010 29.806,1011 14.422,1012 1.906,1013 5.841,1014 25.592,1015 2.883,1016 15.708,1017 18.536,1018 11.238,1019 32.261,1020 15.578,1021 1.323,1022 5.388,1023 27.504,1024 2.545,1025 16.896,1026 19.974,1027 12.114,1028 34.736,1029 16.756,1030 1.073,1031 3.501,1032 29.419,1033 2.481,1034 18.077,1035 21.37,1036 12.971,1037 37.202,1038 17.927,1039 2345,1040 3743,1041 12.948,1042 23.006,1043 31.292,1044 31.784,1045 32.323,1046 30.79,1047 30.777,1048 37.678,1049 7.025,1050 94.803,1051 30.432,1052 5.496,1053 5.818,1054 6.465,1055 5.353,1056 5.321,1057 7.151,1058 3.987,1059 19.533,1060 5.288,1061 9.667,1062 1.565,1063 1.589,1064 1.616,1065 1.539,1066 1.539,1067 1.884,1068 0.351,1069 4.74,1070 1.522,1071 4.079,1072 4.109,1073 4.02,1074 4.012,1075 7.474,1076 4.01,1077 3.755,1078 3.793,1079 3.666,1080 3.682,1081 6.351,1082 3.673,1083 3.473,1084 3.498,1085 3.403,1086 3.254,1087 4.767,1088 3.283,1089 3.256,1090 3.339,1091 3.064,1092 3.117,1093 4.416,1094 3.095,1095 3.097,1096 3.153,1097 2.97,1098 2.903,1099 4.049,1100 2.905,1101 2.796,1102 2.86,1103 2.611,1104 2.534,1105 3.936,1106 2.549,1107 2.673,1108 2.773,1109 2.426,1110 2.488,1111 3.482,1112 2.46,1113 2.606,1114 2.713,1115 2.315,1116 2.378,1117 3.231,1118 2.347,1119 0.227,1120 0.191,1121 0.35,1122 0.216,1123 0.166,1124 4.548,1125 0.208,1126 3.818,1127 0.119,1128 6.995,1129 0.596,1130 4.311,1131 0.164,1132 3.321,1133 4.151,1134 2.375,1135 11.921,1136 3.288,1137 1.999,1138 1.975,1139 2.099,1140 2.087,1141 1.402,1142 2.092,1143 1.645,1144 1.606,1145 1.834,1146 1.803,1147 1.116,1148 1.811,1149 1.523,1150 1.477,1151 1.729,1152 1.648,1153 0.887,1154 1.678,1155 1.297,1156 1.228,1157 1.623,1158 1.51,1159 0.71,1160 1.55,1161 1.099,1162 1.064,1163 1.346,1164 1.395,1165 0.498,1166 1.371,1167 1.015,1168 0.941,1169 1.304,1170 1.258,1171 0.423,1172 1.281,1173 0.643,1174 0.545,1175 0.979,1176 0.992,1177 0.04,1178 0.998,1179 0.392,1180 0.318,1181 0.799,1182 0.736,1184 0.774,1185 3.714,1186 5.081,1187 2.398,1188 6.65,1189 4.595,1190 8.328,1191 6.629,1192 10.067,1194 4.152,1199 9.359,1200 0.849,1201 3.21,1204 -0.071,1209 21.665,1210 49.435,1211 122.716,1212 156.015,1213 162.015,1214 168.015,1215 168.015,1216 29.772,1217 6.711,1218 49.33,1219 49.33,1220 17,1221 12.474,1222 3.17,1223 2.585,1224 25.423,1225 45,1226 34,1227 0.326,1228 132.625,1229 235.46,1230 315.365,1231 5828,1233 12.861,1234 0.715,1235 0.589,1236 12.861,1237 10.604,1238 8.575,1239 0.429,1240 0.317,1241 6.301,1242 8.375,1243 6.071,1244 5.034,1245 8.575,1246 6.348,1247 8.293,1248 0.276,1249 0.179,1250 8.293,1251 5.357,1252 6.781,1253 0.161,1254 0.097,1255 6.781,1256 4.083,1257 6.369,1258 0.104,1259 0.055,1260 6.369,1261 3.385,1262 4.877,1263 0.063,1264 0.029,1265 4.877,1266 2.212,1267 0.469,1268 53.015,1269 0.278,1270 17.17,1271 1.034,1272 100,1273 248.218,1274 106.482,1275 243.55,1276 330.54,1277 226,1278 122,1279 240.638,1280 127.931,1281 246.818,1282 363.39,1283 232,1284 4}
{0 CHEMBL1334633,1 1.525,2 8.333,3 2.283,4 5.213,5 79.278,6 7.562,7 0.261,8 3.748,9 3.845,10 3.313,11 3.283,12 4.89,13 3.274,14 4.305,15 4.444,16 3.708,17 3.712,18 5.525,19 3.675,20 4.611,21 4.805,22 3.792,23 3.87,24 5.698,25 3.807,26 4.657,27 4.848,28 3.784,29 3.848,30 5.825,31 3.801,32 4.587,33 4.775,34 3.637,35 3.722,36 5.833,37 3.665,38 4.416,39 4.63,40 3.358,41 3.477,42 5.616,43 3.391,44 4.192,45 4.415,46 3.044,47 3.138,48 5.324,49 3.069,50 3.864,51 4.088,52 2.703,53 2.86,54 4.941,55 2.783,56 0.072,57 0.513,58 7.601,59 3.749,60 12.924,61 4.491,62 0.336,63 0.859,64 14.711,65 6.416,66 52.915,67 8.15,68 0.401,69 1.112,70 21.916,71 8.399,72 55.549,73 11.114,74 0.445,75 1.123,76 23.531,77 8.311,78 71.903,79 10.658,80 0.423,81 0.991,82 22.227,83 7.997,84 72.987,85 10.043,86 0.421,87 0.811,88 19.405,89 6.794,90 59.593,91 8.918,92 0.358,93 0.61,94 16.208,95 5.098,96 58.148,97 6.569,98 0.281,99 0.455,100 11.584,101 3.516,102 39.106,103 4.573,104 23,105 33,106 0.276,107 0.695,108 0.876,109 0.908,110 0.908,111 0.908,112 3.105,113 0.924,114 -3.59,115 -3.56,116 -3.39,118 42.1,119 1,120 1,121 2,123 1,124 1,128 2,131 3,132 2,133 1,142 2,151 1,153 1,154 10,156 1,157 3,160 1,162 3,163 1,164 12,165 1,169 5,172 1,173 1,174 5,176 8,177 2,180 7,185 5,187 8,188 4,192 6,196 4,199 8,200 2,204 6,207 2,209 2,212 4,213 1,217 5,222 1,225 1,231 2,234 1,237 2,241 2,245 2,250 2,253 503,254 14.146,255 14.146,256 14.146,257 14.146,258 14.146,259 12.965,260 18.856,261 8.275,262 14.394,263 11.303,264 11.303,265 11.303,266 11.303,267 11.303,268 9.399,269 24.862,270 3.801,271 11.592,272 3.723,273 1.41,274 0.408,275 0.23,276 0.23,277 0.23,278 3.781,280 1,281 1,282 1,283 370,284 3.317,285 35.303,286 81.069,288 62.665,289 69.194,291 1.397,292 29.49,293 1,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 46.5,304 175,305 4.483,306 3.814,307 6.894,308 4.269,309 3.28,310 4.04,311 2.375,312 11.564,313 3.243,314 4.093,315 3.662,316 6.212,317 3.807,318 2.814,319 3.378,320 1.674,321 9.127,322 2.785,323 3.783,324 3.358,325 5.936,326 3.49,327 2.499,328 3.026,329 0.68,330 8.166,331 2.463,332 3.553,333 2.578,334 5.566,335 3.276,336 2.296,337 2.715,338 0.458,339 7.111,340 2.242,341 2.911,342 2.271,343 4.547,344 2.556,345 1.578,346 1.978,348 4.24,349 1.537,350 2.868,351 1.923,352 4.22,353 2.476,354 1.527,355 1.949,357 3.819,358 1.428,359 2.7,360 1.779,361 3.829,362 2.192,363 1.194,364 1.602,365 2.81,366 1.184,367 2.151,368 1.587,369 3.48,370 1.862,371 0.884,372 1.047,373 2.059,374 0.854,375 2.061,376 1.068,377 3.36,378 1.803,379 0.806,380 0.941,382 1.707,383 0.799,384 1.771,385 0.933,386 2.965,387 1.564,388 0.583,389 0.667,391 1.299,392 0.567,393 1.096,394 0.508,395 2.665,396 0.761,397 -0.221,398 -0.259,400 -0.55,401 -0.213,402 0.672,403 0.296,404 2.459,405 0.393,406 -0.592,407 -0.681,409 -0.958,410 -0.575,411 0.657,412 0.036,413 2.257,414 0.305,415 -0.687,416 -0.846,418 -1.987,419 -0.681,420 0.47,421 -0.422,422 1.884,423 0.046,424 -0.973,425 -1.233,427 -2,428 -0.94,429 0.307,430 -0.667,431 1.766,432 -0.024,433 -1,434 -1.371,436 -2.939,437 -0.999,438 9.733,439 0.463,440 0.559,441 0.027,442 23.75,443 1.131,444 10.5,445 0.5,446 13.25,447 0.631,448 17.387,449 0.828,450 23.267,451 0.612,452 17.427,453 0.83,454 4.637,455 0.221,456 5.476,457 0.261,458 0.154,460 0.411,462 0.763,463 1.142,464 0.774,465 1.049,466 0.655,467 0.932,468 0.559,469 1.147,470 0.825,471 1.061,472 0.41,473 1.013,474 0.757,475 1.053,476 0.899,477 1.005,478 0.684,479 0.989,480 1.141,481 1.012,482 1.041,483 0.981,484 1.161,485 0.977,486 1.235,487 1.076,488 1.107,489 1.109,490 1.363,491 1.085,492 1.016,493 1.027,494 1.039,495 1.1,496 1.114,497 1.089,498 1.421,499 0.993,500 1.104,501 1,502 1.386,503 0.989,504 1.455,505 0.897,506 1.203,507 0.891,508 1.226,509 0.968,510 4,511 0.033,512 2.889,513 1.306,514 1.524,515 0.945,516 0.395,517 0.299,518 0.163,519 0.08,520 3792,521 11643,522 2.045,523 44.7,524 3,525 8,528 2,530 4,531 1.636,532 1.881,533 3.021,534 0.331,535 1,536 1,538 1,540 57.934,541 1.525,542 3.838,543 4.84,544 5.018,545 5.018,546 5.018,547 2.529,548 4.107,549 4.358,550 3.136,551 658.664,552 7.493,553 6683.6,554 1,555 1,557 1,558 199.421,559 1.51,560 4.305,561 0.174,562 0.011,563 0.088,564 0.037,565 0.045,566 0.034,567 0.02,568 0.021,569 0.016,570 0.01,571 0.456,572 0.5,573 1,574 1.406,575 92.801,576 -0.076,577 0.025,578 0.019,579 0.049,580 -0.064,581 0.057,582 0.181,583 -0.048,584 0.026,585 -0.007,586 0.182,587 -0.024,588 0.017,589 -0.014,590 0.016,591 -0.005,592 0.012,593 -0.001,594 -0.167,595 0.013,596 -0.087,597 -0.01,598 -0.144,599 -0.021,600 -0.166,601 -0.114,602 -0.133,603 -0.13,604 -0.15,605 -0.123,606 0.001,607 -0.1,608 -0.043,609 -0.134,610 -0.064,611 -0.111,612 -0.185,613 -0.116,614 -0.048,615 -0.07,616 -0.185,617 -0.036,618 -0.255,619 0.031,620 -0.158,621 0.025,622 -0.158,623 -0.03,624 2.506,625 4.84,626 0.619,627 15.755,628 1.013,629 1.123,630 2.356,631 5.55,632 0.656,633 3.178,634 3.526,635 3.85,636 4.159,637 4.419,638 4.585,639 4.727,640 4.836,641 4.86,642 4.71,643 4.855,644 0.634,645 287.34,646 3.178,647 4.727,648 5.602,649 6.506,650 7.408,651 8.32,652 9.232,653 10.149,654 11.065,655 11.984,656 2.6,659 1,667 3,672 3,674 6,681 1,683 1,688 38,689 9,690 1,691 23,693 40,694 16,695 6,696 3,697 3,698 1,700 3,701 6,704 1,705 2,706 2,708 2,710 10,711 6,712 2,714 3,717 2,718 2,719 2,721 1,722 1,725 17,726 5,727 2,728 5,732 1,734 0.333,735 4,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 1,765 21,768 1,769 2,770 1,771 1,773 3,782 10.5,784 1,785 2,787 1,789 11.167,790 6.867,791 4.667,792 2.418,794 1.728,795 1.247,796 0.926,797 3.724,798 8.723,799 3.401,800 3.922,801 4.434,802 4.958,803 5.48,804 5.823,805 6.164,806 6.431,807 6.672,808 6.64,809 0.833,810 35,811 7.829,813 3.473,814 8.04,815 14.678,817 12.497,819 2.54,820 53.333,823 176.567,824 80.562,825 18.011,827 103.973,830 80.562,831 280.54,832 18.011,833 8.825,834 7.127,835 47.381,836 119.085,837 20.128,839 176.567,841 176.567,842 98.573,843 103.973,846 129.482,847 151.057,849 15.952,850 45.658,851 36.963,853 176.567,854 121.984,855 80.562,858 176.567,859 24.356,860 56.206,861 18.011,862 103.973,863 176.567,864 121.984,865 80.562,867 0.581,868 0.351,869 0.197,870 0.109,871 17,872 8,873 0.1,874 4,875 2,876 1.308,877 3.206,878 168.225,879 0.308,880 13,881 92.239,884 14.146,885 5.528,886 2.443,888 121.984,889 5.243,894 2.255,896 60.694,897 379.113,898 29,901 23.243,902 4.05,903 -1.187,905 38.48,906 42.658,907 0.291,908 0.731,909 0.922,910 0.956,911 0.956,912 0.956,913 4.668,914 0.884,915 5.609,916 2.81,917 4.205,918 4.605,919 2.831,920 6.482,921 4.167,922 5.859,923 0.806,924 7.209,925 2.059,926 3.892,927 4.425,928 2.243,929 7.509,930 3.857,931 7.167,932 0.583,933 8.911,934 1.707,935 5.849,936 6.667,937 4.036,938 10.647,939 5.788,940 8.507,941 -0.221,942 10.673,943 1.299,944 6.365,945 7.294,946 4.173,947 12.489,948 6.305,949 9.879,950 -0.592,951 12.471,952 -0.55,953 7.808,954 9.043,955 5.493,956 15.153,957 7.729,958 11.273,959 -0.687,960 14.294,961 -0.958,962 8.684,963 10.033,964 5.987,965 17.329,966 8.602,967 12.684,968 -0.973,969 16.134,970 -1.987,971 9.941,972 11.589,973 7.076,974 19.839,975 9.844,976 3.28,977 -1,978 17.987,979 -2,980 10.978,981 12.761,982 7.754,983 22.162,984 10.874,985 2.814,986 11.564,987 19.85,988 -2.939,989 12.17,990 14.231,991 8.728,992 24.622,993 12.053,994 2.499,995 9.127,996 21.722,997 4.04,998 13.28,999 15.499,1000 9.5,1001 27.01,1002 13.154,1003 2.296,1004 8.166,1005 23.6,1006 3.378,1007 14.453,1008 16.929,1009 10.419,1010 29.456,1011 14.315,1012 1.578,1013 7.111,1014 25.484,1015 3.026,1016 15.598,1017 18.251,1018 11.238,1019 31.875,1020 15.449,1021 1.527,1022 4.24,1023 27.373,1024 2.715,1025 16.768,1026 19.662,1027 12.129,1028 34.318,1029 16.609,1030 1.194,1031 3.819,1032 29.266,1033 1.978,1034 17.93,1035 21.014,1036 12.971,1037 36.751,1038 17.759,1039 3830,1040 6762,1041 15.027,1042 24.915,1043 35.527,1044 36.537,1045 36.628,1046 34.937,1047 34.92,1048 42.688,1049 10.374,1050 103.804,1051 34.201,1052 5.432,1053 5.814,1054 6.663,1055 5.312,1056 5.28,1057 7.04,1058 4.049,1059 19.149,1060 5.243,1061 11.256,1062 1.545,1063 1.589,1064 1.593,1065 1.519,1066 1.518,1067 1.856,1068 0.451,1069 4.513,1070 1.487,1071 4.071,1072 4.1,1073 4.015,1074 3.998,1075 7.474,1076 3.998,1077 3.758,1078 3.781,1079 3.687,1080 3.667,1081 7.433,1082 3.664,1083 3.517,1084 3.571,1085 3.407,1086 3.298,1087 6.351,1088 3.309,1089 3.463,1090 3.487,1091 3.367,1092 3.241,1093 4.758,1094 3.263,1095 3.159,1096 3.171,1097 3.047,1098 2.947,1099 4.464,1100 2.972,1101 2.898,1102 2.963,1103 2.748,1104 2.788,1105 4.373,1106 2.772,1107 2.841,1108 2.877,1109 2.717,1110 2.533,1111 3.963,1112 2.562,1113 2.657,1114 2.739,1115 2.477,1116 2.377,1117 3.632,1118 2.41,1119 0.195,1120 0.166,1121 0.3,1122 0.186,1123 0.143,1124 4.483,1125 0.176,1126 3.814,1127 0.103,1128 6.894,1129 0.503,1130 4.269,1131 0.141,1132 3.28,1133 4.04,1134 2.375,1135 11.564,1136 3.243,1137 1.978,1138 1.956,1139 2.067,1140 2.075,1141 1.383,1142 2.073,1143 1.635,1144 1.602,1145 1.822,1146 1.814,1147 1.06,1148 1.808,1149 1.524,1150 1.482,1151 1.793,1152 1.721,1153 0.938,1154 1.745,1155 1.454,1156 1.389,1157 1.674,1158 1.618,1159 0.83,1160 1.64,1161 1.145,1162 1.113,1163 1.35,1164 1.419,1165 0.516,1166 1.394,1167 1.021,1168 1.011,1169 1.158,1170 1.295,1171 0.191,1172 1.249,1173 0.742,1174 0.685,1175 1.035,1176 1.032,1177 0.124,1178 0.997,1179 0.593,1180 0.534,1181 0.964,1182 0.93,1183 0.088,1184 0.969,1185 3.85,1186 5.187,1187 2.398,1188 6.732,1189 4.595,1190 8.383,1191 6.629,1192 10.094,1194 1.769,1199 9.359,1200 1.068,1201 3.074,1202 5.018,1204 -0.56,1209 24.095,1210 57.934,1211 145.837,1212 183.911,1213 190.666,1214 190.666,1215 190.666,1216 43.191,1217 6.995,1218 75.63,1219 75.63,1220 17,1221 12.494,1222 3.322,1223 2.807,1224 32.04,1225 61,1226 72,1227 0.275,1228 147.283,1229 267.7,1230 351.13,1231 8546,1233 14.983,1234 0.713,1235 0.557,1236 14.983,1237 11.705,1238 10.113,1239 0.44,1240 0.308,1241 6.991,1242 9.698,1243 6.857,1244 5.631,1245 10.113,1246 7.086,1247 9.165,1248 0.278,1249 0.162,1250 9.165,1251 5.336,1252 7.793,1253 0.169,1254 0.09,1255 7.793,1256 4.14,1257 6.699,1258 0.106,1259 0.05,1260 6.699,1261 3.18,1262 5.381,1263 0.066,1264 0.027,1265 5.381,1266 2.175,1267 0.412,1268 63.729,1269 0.258,1270 20.284,1271 0.81,1272 112,1273 355.689,1274 124.349,1275 333.92,1276 443.03,1277 310,1278 135,1279 312.729,1280 145.914,1281 312.359,1282 462.28,1283 295,1284 4.569}
{0 CHEMBL1336818,1 1.695,2 7,3 0.684,4 0.468,5 47.398,6 8.487,7 0.429,8 3.254,9 3.336,10 2.879,11 2.681,12 4.626,13 2.729,14 3.668,15 3.784,16 3.168,17 2.933,18 5.207,19 2.974,20 3.806,21 3.937,22 3.174,23 2.984,24 5.495,25 2.996,26 3.76,27 3.941,28 2.836,29 2.899,30 5.023,31 2.854,32 3.688,33 3.906,34 2.774,35 2.727,36 5.034,37 2.685,38 3.459,39 3.637,40 2.532,41 2.312,42 4.942,43 2.363,44 3.026,45 3.184,46 2.173,47 1.858,48 4.583,49 1.937,50 2.712,51 2.905,52 1.981,53 1.632,54 4.324,55 1.637,56 0.149,57 0.301,58 3.744,59 1.944,60 17.19,61 2.046,62 0.363,63 0.416,64 7.03,65 2.801,66 44.431,67 3.216,68 0.509,69 0.459,70 8.512,71 3.067,72 74.355,73 3.643,74 0.356,75 0.427,76 8.847,77 3.155,78 41.4,79 3.889,80 0.334,81 0.361,82 9.332,83 3.106,84 43.346,85 4.225,86 0.364,87 0.249,88 7.652,89 1.979,90 56.239,91 2.313,92 0.3,93 0.158,94 4.768,95 1.01,96 37.943,97 1.121,98 0.243,99 0.11,100 3.72,101 0.996,102 22.636,103 1.446,104 23,105 18,106 0.353,107 0.735,108 0.789,109 0.826,110 0.826,111 0.826,112 2.73,113 0.818,114 -1.74,115 -1.8,116 -1.82,118 39.1,122 1,131 4,133 2,142 2,151 1,153 1,154 2,157 2,158 1,160 2,162 2,163 1,164 2,168 1,169 2,172 2,173 1,174 2,176 2,180 2,188 2,192 4,194 1,196 2,200 2,204 2,209 2,216 1,218 1,229 1,232 1,253 184,254 9.077,255 9.077,256 9.077,257 9.077,258 9.077,259 8.055,260 13.366,261 5.38,262 9.294,263 6.801,264 6.801,265 6.801,266 6.801,267 6.801,268 5.184,269 16.322,270 2.462,271 7.038,272 2.829,273 0.989,274 0.728,275 0.555,276 0.555,277 0.555,278 3.341,281 1,282 1,283 188,284 3,286 48.594,291 1.286,292 21.229,295 1,296 0.83,297 0.83,298 0.6,300 1,301 1,302 0.75,303 32.5,304 98,305 4.111,306 3.843,307 5.82,308 3.753,309 2.765,310 3.659,311 1.437,312 7.938,313 2.723,314 3.915,315 2.949,316 5.421,317 3.506,318 2.526,319 3.274,320 1.058,321 6.998,322 2.464,323 3.432,324 2.83,325 5.061,326 3.049,327 2.098,328 2.709,329 0.86,330 6.018,331 1.978,332 2.641,333 2.372,334 3.526,335 2.092,336 1.074,337 1.5,339 2.426,340 1.063,341 2.5,342 1.16,343 3.414,344 2,345 1,346 1.476,348 2.275,349 1,350 1.733,351 1,352 2.756,353 1.431,354 0.549,355 0.621,357 0.874,358 0.477,359 1.138,360 0.575,361 2.281,362 0.784,363 -0.182,364 -0.227,365 -0.357,366 -0.173,367 0.571,368 0.437,369 2,370 0.132,371 -0.852,372 -1.083,373 -1.908,374 -0.815,375 0.5,376 -0.226,377 1.503,378 0.003,379 -1,380 -1.346,382 -2,383 -0.965,384 0.46,385 -0.845,386 1.244,388 -1,389 -1.5,391 -3,392 -1,393 -0.198,394 -1,395 1,396 -0.425,397 -1.435,398 -1.809,400 -3.825,401 -1.389,402 -0.498,403 -1.274,404 0.94,405 -0.751,406 -1.635,407 -2,408 -0.86,409 -4.35,410 -1.57,411 -0.5,412 -1.642,413 0.586,414 -0.973,415 -1.906,416 -2.276,417 -1.058,418 -5.275,419 -1.791,420 -0.805,421 -2,422 0.447,423 -1,424 -2,425 -3,426 -1.437,427 -5.816,428 -2,438 6.233,439 0.445,440 0.37,441 0.026,442 18.75,443 1.339,444 10,445 0.714,446 8.75,447 0.625,448 6.771,449 0.484,450 15.967,451 0.694,452 12.565,453 0.898,454 4.2,455 0.3,456 2.43,457 0.174,458 0.241,460 0.321,462 0.866,463 1.295,464 0.729,465 1.132,466 0.733,467 0.921,468 0.792,469 1.164,470 0.758,471 1.017,472 0.53,473 0.909,474 0.721,475 1.041,476 0.983,477 1.027,478 0.597,479 1.089,480 0.926,481 1.084,482 1.152,483 1.149,484 0.837,485 1.211,486 0.659,487 0.982,488 0.745,489 1.091,490 0.817,491 0.993,492 1.527,493 0.991,494 1.136,495 0.957,496 1.635,497 0.916,498 1.552,499 0.708,500 1.349,501 0.761,502 1.646,503 0.894,504 0.229,505 0.711,506 0.486,507 0.812,508 0.502,509 0.769,510 3.5,512 1.556,513 0.5,514 0.702,515 0.347,516 0.202,517 0.149,518 0.049,520 1196,521 5415,522 1.842,523 39.1,525 7,528 2,531 1.503,532 1.68,533 2.853,534 0.616,538 1,540 38.983,541 1.695,542 3.534,543 3.795,544 3.969,545 3.969,546 3.969,547 2.306,548 3.379,549 3.776,550 2.942,551 267.678,552 6.272,553 2113.72,555 1,558 104.042,559 1.557,560 3.7,561 0.25,563 0.086,564 0.029,565 0.059,566 0.032,567 0.025,568 0.03,569 0.012,571 0.523,572 0.67,573 1,574 1.733,575 53.941,576 -0.154,577 -0.103,578 -0.027,579 -0.042,580 -0.142,581 0.008,582 0.067,583 -0.087,584 0.073,585 0.003,586 0.154,587 0.025,588 0.186,589 0.025,590 -0.117,591 -0.057,592 0.272,593 -0.18,594 -0.163,595 -0.089,596 -0.248,597 -0.164,598 -0.121,599 -0.217,600 0.107,601 -0.104,602 0.267,603 -0.108,604 0.052,605 0.083,606 -0.341,607 -0.184,608 -0.049,609 -0.072,610 -0.306,611 0.025,612 -0.209,613 0.188,614 -0.26,615 0.028,616 -0.313,617 -0.074,618 0.871,619 0.06,620 0.662,621 0.1,622 0.469,623 0.26,624 3.18,625 3.725,626 0.429,627 8.735,628 1.041,629 1.13,630 0.508,631 0.258,632 0.646,633 2.708,634 2.944,635 3.045,636 3.045,637 3.219,638 3.045,639 2.944,640 2.833,641 2.197,643 4.267,644 0.652,645 195.19,646 2.708,647 4.174,648 4.949,649 5.759,650 6.558,651 7.37,652 8.177,653 8.989,654 9.799,655 10.611,656 4.3,660 1,667 4,672 2,674 6,686 1,688 23,689 8,690 1,691 14,693 23,694 9,695 6,696 2,697 4,698 2,700 1,701 1,710 8,711 1,714 2,717 2,719 2,722 1,725 9,726 5,727 2,728 5,732 1,734 1,735 4,744 1,750 1,751 1,755 1,757 1,761 1,765 14,768 1,770 1,771 1,782 17.4,784 1,785 2,787 1,789 8.333,790 4.283,791 3.278,792 1.085,794 1.36,795 1.264,796 0.864,797 3.479,798 6.514,799 2.996,800 3.481,801 3.876,802 4.188,803 4.696,804 4.594,805 4.691,806 4.766,807 4.202,809 0.8,810 17,811 5.11,812 0.002,813 2.072,814 8.548,815 8.965,816 0.001,817 6.464,818 0.001,819 3.048,820 42.667,821 0.001,823 82.398,824 62.403,825 18.011,827 103.973,830 62.403,831 186.371,832 18.011,833 10.883,834 18.011,835 37.905,836 98.588,837 19,839 82.398,841 82.398,842 80.413,843 103.973,846 82.398,847 103.973,849 18.011,850 62.403,853 82.398,854 121.984,855 62.403,858 82.398,859 13.615,860 48.788,861 18.011,862 103.973,863 82.398,864 121.984,865 62.403,867 0.569,868 0.318,869 0.129,870 0.074,871 7,872 4,873 0.13,874 3,876 1,877 2.575,878 77.015,880 6,881 49.303,884 10.535,885 4.624,886 3.034,888 121.984,889 6.355,894 1.052,896 60.694,897 266.784,898 19,901 20.915,903 -2.573,905 23.945,906 25.997,907 0.375,908 0.781,909 0.839,910 0.877,911 0.877,912 0.877,913 4.167,914 -0.852,915 4.92,916 -0.357,917 3.611,918 4.159,919 2.18,920 5.609,921 3.555,922 5.353,923 -1,924 6.428,925 -1.908,926 3.219,927 3.951,929 6.337,930 3.154,931 6.632,932 -1,933 8.029,934 -2,935 5.106,936 6.221,937 2.574,938 9.244,939 5.003,940 7.942,941 -1.435,942 9.678,943 -3,944 5.442,945 6.715,947 10.668,948 5.331,949 9.276,950 -1.635,951 11.353,952 -3.825,953 6.843,954 8.524,955 3.1,956 13.095,957 6.704,958 10.624,959 -1.906,960 13.045,961 -4.35,962 7.499,963 9.323,965 14.814,966 7.352,967 11.983,968 -2,969 14.748,970 -5.275,971 8.691,972 10.933,973 3.715,974 17.048,975 8.523,976 2.765,978 16.458,979 -5.816,980 9.507,981 11.895,983 18.917,984 9.328,985 2.526,986 7.938,987 18.174,989 10.6,990 13.396,991 4.381,992 21.061,993 10.405,994 2.098,995 6.998,996 19.894,997 3.659,998 11.5,999 14.461,1001 23.014,1002 11.292,1003 1.074,1004 6.018,1005 21.617,1006 3.274,1007 12.546,1008 15.893,1009 5.075,1010 25.114,1011 12.324,1012 1,1013 2.426,1014 23.344,1015 2.709,1016 13.492,1017 17.026,1019 27.113,1020 13.256,1021 0.549,1022 2.275,1023 25.073,1024 1.5,1025 14.515,1026 18.414,1027 5.783,1028 29.193,1029 14.265,1030 -0.182,1031 0.874,1032 26.804,1033 1.476,1034 15.486,1035 19.595,1037 31.22,1038 15.222,1039 1346,1040 2940,1041 8.553,1042 14.869,1043 20.377,1044 21.299,1045 21.14,1046 20.004,1047 20.021,1048 26.48,1049 6.71,1050 53.059,1051 19.408,1052 4.916,1053 5.843,1054 5.373,1055 4.753,1056 4.765,1057 6.659,1058 2.873,1059 13.754,1060 4.723,1061 8.488,1062 1.456,1063 1.521,1064 1.51,1065 1.429,1066 1.43,1067 1.891,1068 0.479,1069 3.79,1070 1.386,1071 3.922,1072 3.948,1073 3.868,1074 3.829,1075 7.53,1076 3.833,1077 3.575,1078 3.565,1079 3.55,1080 3.285,1081 7.368,1082 3.354,1083 3.247,1084 3.305,1085 3.092,1086 2.959,1087 6.349,1088 2.977,1089 2.902,1090 2.952,1091 2.766,1092 2.735,1093 4.872,1094 2.715,1095 2.854,1096 2.925,1097 2.687,1098 2.631,1099 4.405,1100 2.639,1101 2.566,1102 2.578,1103 2.459,1104 2.168,1105 3.752,1106 2.259,1107 2.039,1108 2.131,1109 1.797,1110 1.462,1111 3.674,1112 1.517,1113 1.939,1114 1.965,1115 1.724,1116 1.276,1117 3.117,1118 1.384,1119 0.294,1120 0.275,1121 0.416,1122 0.268,1123 0.197,1124 4.111,1125 0.261,1126 3.843,1127 0.103,1128 5.82,1129 0.567,1130 3.753,1131 0.194,1132 2.765,1133 3.659,1134 1.437,1135 7.938,1136 2.723,1137 1.882,1138 1.858,1139 1.988,1140 2,1141 1.063,1142 1.995,1143 1.381,1144 1.385,1145 1.577,1146 1.701,1147 0.576,1148 1.63,1149 1.179,1150 1.111,1151 1.42,1152 1.497,1153 0.269,1154 1.504,1155 0.886,1156 0.821,1157 1.181,1158 1.135,1159 0.218,1160 1.107,1161 0.789,1162 0.739,1163 0.994,1164 1.062,1166 1.087,1167 0.371,1168 0.35,1169 0.695,1170 0.771,1172 0.742,1175 0.383,1176 0.434,1178 0.419,1181 0.381,1182 0.27,1184 0.23,1185 3.367,1186 4.615,1188 6.052,1190 7.563,1192 9.108,1194 1.519,1199 8.307,1201 2.199,1202 4.893,1209 14.988,1210 38.983,1211 81.287,1212 87.287,1213 91.287,1214 91.287,1215 91.287,1216 25.132,1217 5.153,1218 75.63,1219 75.63,1220 6,1221 11.198,1222 3.17,1223 2.585,1224 28.085,1225 35,1226 34,1227 0.414,1228 97.85,1229 173.96,1230 230.515,1231 756,1233 10.552,1234 0.754,1235 0.534,1236 10.552,1237 7.481,1238 6.63,1239 0.474,1240 0.273,1241 3.714,1242 6.204,1243 3.623,1244 3.05,1245 6.63,1246 3.816,1247 5.752,1248 0.32,1249 0.138,1250 5.752,1251 2.488,1252 4.387,1253 0.219,1254 0.077,1255 4.387,1256 1.542,1257 2.673,1258 0.134,1259 0.043,1260 2.673,1261 0.859,1262 2.128,1263 0.089,1264 0.022,1265 2.128,1266 0.535,1267 0.634,1268 43.037,1269 0.342,1270 14.425,1271 1.154,1272 64,1273 295.689,1274 75.575,1275 272.841,1276 345.14,1277 250,1278 70,1279 229.102,1280 80.303,1281 229.636,1282 326.14,1283 212,1284 4}
{0 CHEMBL1363132,1 1.647,2 5.529,3 2.657,4 7.06,5 75.411,6 11.764,7 0.316,8 3.489,9 3.584,10 3.454,11 3.195,12 4.596,13 3.116,14 4.036,15 4.161,16 3.96,17 3.679,18 5.198,19 3.555,20 4.395,21 4.586,22 4.208,23 3.867,24 5.409,25 3.691,26 4.427,27 4.633,28 4.167,29 3.855,30 5.471,31 3.656,32 4.308,33 4.506,34 4.068,35 3.698,36 5.52,37 3.455,38 3.955,39 4.183,40 4.137,41 3.307,42 5.184,43 3.001,44 3.299,45 3.557,46 2.128,47 2.437,48 4.438,49 2.016,50 2.183,51 2.519,52 0.295,53 0.897,54 3.045,55 0.687,56 0.037,57 0.38,58 0.891,59 2.609,60 8.822,61 3.078,62 0.131,63 0.668,64 1.982,65 4.975,66 34.793,67 6.048,68 0.231,69 0.971,70 21.514,71 8.821,72 39.626,73 9.552,74 0.214,75 0.994,76 31.843,77 10.202,78 42.042,79 9.767,80 0.218,81 0.84,82 38.935,83 10.479,84 44.274,85 8.95,86 0.152,87 0.585,88 37.208,89 9.022,90 34.751,91 6.905,92 0.119,93 0.3,94 42.175,95 6.002,96 24.155,97 4.075,98 0.06,99 0.081,100 4.659,101 1.06,102 10.664,103 1.054,104 11,105 28,106 0.319,107 0.74,108 0.881,109 0.926,110 0.926,111 0.926,112 2.912,113 1.059,114 -4.2,115 -4.14,116 -3.92,118 44.8,120 1,121 2,124 1,128 2,131 3,132 1,133 2,142 1,151 1,153 1,154 9,160 1,162 2,163 1,164 11,165 1,169 1,172 1,173 1,174 6,176 8,177 2,180 2,185 5,187 7,188 3,192 3,196 3,199 6,200 3,204 3,209 3,212 4,213 1,217 1,222 1,253 203,254 11.414,255 11.414,256 11.414,257 11.414,258 11.414,259 10.245,260 14.582,261 6.548,262 11.648,263 9.361,264 9.361,265 9.361,266 9.361,267 9.361,268 7.637,269 20.213,270 3.049,271 9.849,272 3.211,273 1.034,274 0.302,275 0.069,276 0.069,277 0.069,278 3.583,281 1,282 1,283 202,284 2.449,285 23.549,286 58.366,288 42.854,289 49.819,291 0.851,292 17.669,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 35.9,304 94,305 4.508,306 3.817,307 6.936,308 4.276,309 3.297,310 4.074,311 2.375,312 11.705,313 3.229,314 3.983,315 3.415,316 6.289,317 3.685,318 2.731,319 3.195,320 0.68,321 9.277,322 2.599,323 3.658,324 2.918,325 5.802,326 3.384,327 2.421,328 2.848,329 0.458,330 7.706,331 2.283,332 3.131,333 2.297,334 4.905,335 2.712,336 1.784,337 2.288,339 5.053,340 1.561,341 2.921,342 2.054,343 4.235,344 2.48,345 1.504,346 2.077,348 3.687,349 1.445,350 2.701,351 1.467,352 3.877,353 2.23,354 1.246,355 1.617,357 2.993,358 1.187,359 2.248,360 1.381,361 3.474,362 1.933,363 0.975,364 1.146,365 2.268,366 0.854,367 1.773,368 0.952,369 3.36,370 1.582,371 0.61,372 0.684,373 1.611,374 0.573,375 1.193,376 0.594,377 2.742,378 0.78,379 -0.067,380 -0.078,382 -0.168,383 -0.022,384 0.822,385 0.313,386 2.465,387 0.411,388 -0.525,389 -0.66,391 -1.318,392 -0.379,393 0.457,394 -0.199,395 2.32,396 0.05,397 -0.866,398 -0.982,400 -2,401 -0.701,402 0.327,403 -0.49,404 1.813,405 -0.012,406 -1,407 -1.326,409 -2.417,410 -0.963,411 -0.017,412 -0.979,413 1.761,414 -0.346,415 -1.31,416 -1.595,418 -3.497,419 -1.072,420 -0.162,421 -1.144,422 1.493,423 -0.574,424 -1.425,425 -1.774,427 -3.812,428 -1.347,429 -0.5,430 -1.344,431 1.293,432 -0.758,433 -1.581,434 -1.825,436 -4.966,437 -1.578,438 9.21,439 0.542,440 0.49,441 0.029,442 19.5,443 1.147,444 9,445 0.529,446 10.5,447 0.618,448 15.513,449 0.913,450 17.19,451 0.593,452 10.418,453 0.613,454 3.416,455 0.201,456 4.766,457 0.28,458 0.251,460 0.38,462 0.799,463 0.885,464 0.456,465 0.512,466 0.701,467 0.693,468 0.408,469 1.084,470 0.514,471 0.618,472 0.363,473 0.895,474 0.632,475 1.066,476 0.716,477 0.798,478 0.676,479 0.965,480 1.041,481 0.947,482 0.893,483 0.874,484 0.979,485 0.934,486 1.389,487 0.996,488 1.225,489 1.161,490 1.405,491 1.103,492 1.275,493 1.047,494 1.609,495 1.558,496 1.321,497 1.144,498 1.644,499 1.123,500 2.394,501 2.185,502 1.743,503 1.559,504 1.878,505 0.211,506 0.068,507 0.088,508 2.011,509 0.393,510 3,512 2.444,513 1.181,514 1.404,515 0.827,516 0.162,517 0.056,520 2012,521 6610,522 2.091,523 41.4,524 3,525 6,528 2,530 1,531 1.58,532 1.925,533 2.535,534 0.411,536 1,538 1,539 1,540 47.756,541 1.647,542 3.824,543 4.556,544 4.789,545 4.789,546 4.789,547 1.933,548 3.337,549 4.064,550 2.594,551 352.823,552 6.92,553 3114.21,554 1,555 1,556 1,557 1,558 140.881,559 1.496,560 4.004,561 0.158,563 0.087,564 0.041,565 0.052,566 0.041,567 0.015,568 0.028,571 0.422,572 0.83,573 1,574 0.922,575 67.201,576 -0.104,577 0.109,578 -0.004,579 0.045,580 -0.072,581 0.076,582 0.188,583 -0.105,584 0.004,585 -0.007,586 0.193,587 -0.08,588 0.101,589 -0.086,590 0.003,591 -0.02,592 0.011,593 -0.053,594 -0.111,595 0.049,596 -0.028,597 0.018,598 -0.104,599 0.009,600 -0.156,601 -0.051,602 -0.073,603 -0.051,604 -0.112,605 -0.101,606 -0.046,607 -0.124,608 -0.002,609 -0.107,610 0.004,611 -0.001,612 -0.206,613 -0.186,614 -0.321,615 -0.384,616 -0.198,617 -0.308,618 -0.266,619 0.601,620 0.12,621 0.404,622 -0.302,623 0.636,624 2.422,625 4.325,626 0.765,627 8.069,628 1.004,629 1.108,630 2.972,631 8.835,632 0.764,633 2.996,634 3.367,635 3.714,636 4.043,637 4.29,638 4.419,639 4.477,640 4.466,641 4.357,642 4.159,643 3.656,644 0.687,645 341.16,646 2.996,647 4.554,648 5.442,649 6.358,650 7.27,651 8.192,652 9.11,653 10.033,654 10.953,655 11.876,656 3.4,659 1,667 3,672 3,674 6,683 1,687 1,688 29,689 8,690 1,691 19,693 31,694 13,695 6,696 3,697 3,700 3,701 6,705 2,706 2,708 2,710 9,711 4,712 2,714 2,717 1,718 2,719 1,722 1,725 12,726 3,727 2,728 4,729 1,730 1,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,764 1,765 17,768 1,769 1,770 1,773 3,781 1,782 6.9,784 1,785 1,789 8.833,790 4.926,791 3.667,792 1.732,794 1.677,795 1.254,796 0.977,797 2.805,798 8.269,799 3.219,800 3.773,801 4.287,802 4.823,803 5.307,804 5.565,805 5.816,806 6.084,807 6.229,808 6.257,809 0.75,810 29,811 6.326,813 2.829,814 7.84,815 12.154,817 10.713,819 2.34,820 39.787,821 0.002,823 117.711,824 115.21,825 18.011,827 67.828,829 56.782,830 58.428,831 185.539,832 18.011,834 2.535,835 47.381,836 86.749,837 7.602,839 174.493,841 117.711,842 76.438,843 67.828,845 56.782,846 105.94,847 79.599,849 2.535,850 36.941,851 36.963,852 56.782,853 117.711,854 85.839,855 58.428,856 56.782,858 117.711,859 11.046,860 104.163,861 18.011,862 67.828,863 117.711,864 85.839,865 58.428,866 56.782,867 0.594,868 0.363,869 0.209,870 0.117,871 16,872 7,873 0.032,874 1,875 2,876 1.308,877 2.821,878 129.663,879 0.308,880 13,881 69.487,884 11.38,885 4.19,886 1.748,888 85.839,889 6.132,894 3.312,896 60.694,897 318.76,898 24,901 11.325,902 4.248,903 -0.756,905 29.127,906 32.129,907 0.339,908 0.787,909 0.938,910 0.986,911 0.986,912 0.986,913 4.494,914 0.61,915 5.46,916 2.268,917 4.043,918 4.454,919 2.429,920 6.354,921 3.954,922 5.695,923 -0.067,924 7.072,925 1.611,926 3.761,927 4.27,928 2.243,929 7.427,930 3.588,931 7.009,932 -0.525,933 8.79,934 -0.168,935 5.707,936 6.536,937 3.71,938 10.584,939 5.569,940 8.355,941 -0.866,942 10.567,943 -1.318,944 6.256,945 7.164,946 4.173,947 12.475,948 6.061,949 9.735,950 -1,951 12.382,952 -2,953 7.698,954 8.938,955 5.293,956 15.159,957 7.517,958 11.137,959 -1.31,960 14.222,961 -2.417,962 8.605,963 9.945,964 5.987,965 17.371,966 8.388,967 12.557,968 -1.425,969 16.08,970 -3.497,971 9.869,972 11.523,973 6.966,974 19.9,975 9.65,976 3.297,977 -1.581,978 17.95,979 -3.812,980 10.931,981 12.718,982 7.754,983 22.248,984 10.687,985 2.731,986 11.705,987 19.829,988 -4.966,989 12.133,990 14.208,991 8.671,992 24.725,993 11.88,994 2.421,995 9.277,996 21.716,997 4.074,998 13.262,999 15.5,1000 9.5,1001 27.133,1002 12.989,1003 1.784,1004 7.706,1005 23.61,1006 3.195,1007 14.447,1008 16.948,1009 10.389,1010 29.593,1011 14.16,1012 1.504,1013 5.053,1014 25.508,1015 2.848,1016 15.606,1017 18.291,1018 11.238,1019 32.027,1020 15.302,1021 1.246,1022 3.687,1023 27.411,1024 2.288,1025 16.788,1026 19.718,1027 12.114,1028 34.484,1029 16.468,1030 0.975,1031 2.993,1032 29.318,1033 2.077,1034 17.963,1035 21.089,1036 12.971,1037 36.93,1038 17.624,1039 2026,1040 3720,1041 12.542,1042 22.142,1043 29.635,1044 30.144,1045 30.598,1046 29.489,1047 29.137,1048 35.857,1049 7.025,1050 88.598,1051 27.464,1052 5.457,1053 5.817,1054 6.469,1055 5.321,1056 5.297,1057 7.074,1058 3.987,1059 19.348,1060 5.229,1061 7.99,1062 1.56,1063 1.587,1064 1.61,1065 1.552,1066 1.534,1067 1.887,1068 0.37,1069 4.663,1070 1.445,1071 4.06,1072 4.09,1073 10.695,1074 4.081,1075 7.474,1076 3.996,1077 3.708,1078 3.74,1079 3.972,1080 3.776,1081 6.351,1082 3.647,1083 3.468,1084 3.488,1085 3.573,1086 3.318,1087 4.764,1088 3.275,1089 2.98,1090 3.022,1091 3.399,1092 3.237,1093 4.406,1094 2.868,1095 2.9,1096 2.949,1097 2.875,1098 2.79,1099 4.009,1100 2.79,1101 2.749,1102 2.813,1103 2.668,1104 2.535,1105 3.626,1106 2.544,1107 2.435,1108 2.543,1109 2.531,1110 2.391,1111 3.37,1112 2.212,1113 2.369,1114 2.459,1115 2.159,1116 2.2,1117 3.076,1118 2.109,1119 0.237,1120 0.201,1121 0.365,1122 0.225,1123 0.174,1124 4.508,1125 0.214,1126 3.817,1127 0.125,1128 6.936,1129 0.616,1130 4.276,1131 0.17,1132 3.297,1133 4.074,1134 2.375,1135 11.705,1136 3.229,1137 1.967,1138 1.944,1139 2.04,1140 2.049,1141 1.383,1142 2.056,1143 1.619,1144 1.581,1145 1.805,1146 1.762,1147 1.052,1148 1.776,1149 1.492,1150 1.452,1151 1.661,1152 1.61,1153 0.825,1154 1.634,1155 1.143,1156 1.115,1157 1.334,1158 1.41,1159 0.515,1160 1.388,1161 0.874,1162 0.845,1163 1.008,1164 1.14,1165 0.137,1166 1.112,1167 0.724,1168 0.665,1169 0.967,1170 0.869,1171 0.104,1172 0.925,1173 0.396,1174 0.332,1175 0.723,1176 0.708,1178 0.742,1179 0.123,1181 0.677,1182 0.496,1184 0.568,1185 3.664,1186 5.017,1187 2.398,1188 6.583,1189 4.595,1190 8.257,1191 6.629,1192 9.991,1197 2.251,1199 9.309,1200 0.847,1201 3.189,1204 -0.071,1209 19.929,1210 47.756,1211 110.907,1212 132.127,1213 138.881,1214 138.881,1215 138.881,1216 27.206,1217 6.592,1218 49.33,1219 49.33,1220 17,1221 12.383,1222 3.17,1223 2.585,1224 23.426,1225 41,1226 27,1227 0.334,1228 131.025,1229 226.14,1230 311.462,1231 5089,1232 3.4,1233 11.991,1234 0.705,1235 0.66,1236 13.491,1237 11.217,1238 8.182,1239 0.431,1240 0.353,1241 5.646,1242 7.313,1243 5.489,1244 4.473,1245 9.048,1246 6.705,1247 7.638,1248 0.273,1249 0.203,1250 8.75,1251 5.68,1252 6.603,1253 0.165,1254 0.113,1255 7.678,1256 4.511,1257 5.801,1258 0.104,1259 0.063,1260 6.682,1261 3.502,1262 4.697,1263 0.065,1264 0.034,1265 5.468,1266 2.446,1267 0.477,1268 64.22,1269 0.282,1270 16.273,1271 1.069,1272 94,1273 253.867,1274 249.391,1275 287.98,1276 376.89,1277 266,1278 115,1279 241.948,1280 180.088,1281 260.022,1282 385.49,1283 246,1284 4.851}
{0 CHEMBL1363824,1 1.749,2 5.944,3 3.408,4 11.612,5 72.612,6 9.798,7 0.3,8 3.506,9 3.589,10 3.291,11 3.156,12 4.663,13 3.131,14 4.056,15 4.166,16 3.76,17 3.63,18 5.293,19 3.574,20 4.423,21 4.594,22 3.886,23 3.801,24 5.529,25 3.706,26 4.454,27 4.643,28 4,29 3.766,30 5.602,31 3.677,32 4.345,33 4.52,34 3.761,35 3.569,36 5.65,37 3.475,38 4.02,39 4.201,40 3.56,41 3.189,42 5.471,43 3.059,44 3.388,45 3.579,46 2.269,47 2.385,48 4.663,49 2.163,50 2.276,51 2.508,52 2.195,53 1.173,54 4.113,55 1.154,56 0.096,57 0.373,58 3.428,59 2.474,60 13.135,61 2.764,62 0.219,63 0.645,64 6.824,65 4.587,66 39.235,67 5.508,68 0.45,69 0.879,70 19.088,71 7.299,72 56.155,73 8.803,74 0.487,75 0.894,76 23.55,77 7.608,78 65.297,79 8.735,80 0.505,81 0.708,82 22.207,83 7.149,84 62.986,85 7.739,86 0.515,87 0.443,88 22.161,89 5.706,90 65.446,91 6.091,92 0.321,93 0.201,94 17.683,95 3.246,96 41.234,97 3.198,98 0.182,99 0.062,100 5.018,101 0.988,102 24.447,103 1.092,104 18,105 30,106 0.338,107 0.756,108 0.886,109 0.926,110 0.926,111 0.926,112 2.964,113 0.972,114 -4.47,115 -4.4,116 -4.14,118 44.8,120 1,121 2,124 1,128 2,131 2,132 1,133 3,142 1,151 1,153 1,154 7,160 1,162 2,163 1,164 12,165 1,169 1,172 1,173 1,174 6,176 7,177 2,180 2,185 4,187 7,188 3,192 3,196 4,199 6,200 3,204 3,209 3,212 6,226 1,230 1,234 1,253 248,254 11.861,255 11.861,256 11.861,257 11.861,258 11.861,259 10.667,260 16.048,261 6.734,262 12.161,263 9.861,264 9.861,265 9.861,266 9.861,267 9.861,268 8.054,269 22.221,270 3.166,271 10.449,272 3.109,273 0.952,274 0.276,275 0.069,276 0.069,277 0.069,278 3.633,279 2,281 1,282 1,283 227,284 2.55,285 26.058,286 62.976,288 46.938,289 53.816,291 0.957,292 24.339,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 39.167,304 107,305 4.535,306 3.82,307 6.943,308 4.288,309 3.309,310 4.142,311 2.375,312 11.739,313 3.239,314 4.024,315 3.461,316 6.307,317 3.736,318 2.781,319 3.237,320 0.68,321 9.373,322 2.642,323 3.66,324 3.034,325 5.807,326 3.394,327 2.422,328 2.849,329 0.458,330 7.726,331 2.323,332 3.445,333 2.73,334 5.014,335 2.968,336 2.097,337 2.75,339 5.914,340 1.744,341 3.13,342 2.274,343 4.92,344 2.732,345 1.784,346 2.286,348 5.115,349 1.641,350 2.727,351 2.097,352 4.179,353 2.282,354 1.318,355 1.642,357 3.364,358 1.236,359 2.298,360 1.432,361 3.519,362 1.967,363 1.006,364 1.197,365 2.348,366 0.936,367 1.79,368 1.03,369 3.48,370 1.625,371 0.657,372 0.72,373 1.792,374 0.623,375 1.339,376 0.697,377 2.974,378 0.954,379 0.071,380 0.084,382 0.192,383 0.055,384 0.88,385 0.359,386 2.684,387 0.442,388 -0.45,389 -0.562,391 -1.167,392 -0.285,393 0.498,394 0.265,395 2.439,396 0.091,397 -0.798,398 -0.892,400 -2,401 -0.592,402 0.334,403 -0.258,404 2.069,405 -0.007,406 -0.868,407 -0.982,409 -2.119,410 -0.767,411 0.286,412 -0.487,413 1.768,414 -0.09,415 -1,416 -1.339,418 -2.465,419 -0.969,420 -0.157,421 -1.028,422 1.501,423 -0.514,424 -1.412,425 -1.616,427 -3.934,428 -1.196,429 -0.236,430 -1.169,431 1.485,432 -0.589,433 -1.526,434 -1.822,436 -4.231,437 -1.375,438 8.995,439 0.5,440 0.597,441 0.033,442 20.5,443 1.139,444 9,445 0.5,446 11.5,447 0.639,448 15.712,449 0.873,450 19.205,451 0.662,452 12.972,453 0.721,454 3.827,455 0.213,456 4.748,457 0.264,458 0.233,460 0.445,462 0.713,463 0.992,464 0.509,465 0.685,466 0.676,467 0.711,468 0.46,469 1.215,470 0.569,471 0.88,472 0.373,473 0.936,474 0.692,475 1.096,476 0.836,477 0.988,478 0.723,479 1.045,480 0.915,481 0.989,482 0.677,483 0.803,484 0.94,485 0.875,486 1.317,487 0.999,488 1.08,489 1.055,490 1.388,491 1.053,492 1.345,493 0.904,494 1.471,495 1.195,496 1.323,497 1.083,498 2.338,499 0.742,500 2.738,501 1.676,502 2.205,503 1.545,504 0.048,505 0.274,506 0.661,507 0.951,508 0.342,509 0.404,510 4,512 2.444,513 1.368,514 1.675,515 0.917,516 0.297,517 0.118,520 2315,521 9025,522 2.053,523 37.9,524 3,525 5,528 2,530 1,531 1.597,532 1.862,533 2.603,534 0.429,536 1,537 1,538 1,540 50.722,541 1.749,542 3.906,543 4.582,544 4.789,545 4.789,546 4.789,547 2.177,548 3.419,549 4.145,550 2.692,551 411.848,552 7.084,553 3747.41,554 1,555 1,556 1,557 1,558 140.881,559 1.53,560 4.071,561 0.2,563 0.081,564 0.044,565 0.056,566 0.04,567 0.021,568 0.039,571 0.482,572 0.83,573 1,574 0.946,575 73.018,576 -0.1,577 0.117,578 -0.015,579 0.115,580 -0.071,581 0.088,582 0.123,583 -0.141,584 0.004,585 -0.048,586 0.194,587 -0.085,588 0.05,589 -0.074,590 -0.044,591 -0.076,592 -0.014,593 -0.098,594 -0.048,595 0.025,596 0.155,597 0.131,598 -0.083,599 0.094,600 -0.176,601 -0.082,602 -0.072,603 -0.064,604 -0.161,605 -0.071,606 -0.002,607 -0.089,608 -0.038,609 -0.083,610 0.029,611 -0.021,612 -0.664,613 -0.004,614 -0.847,615 -0.457,616 -0.585,617 -0.445,618 1.647,619 0.465,620 1.068,621 0.291,622 1.402,623 0.841,624 2.509,625 4.326,626 0.722,627 9.333,628 1.024,629 1.114,630 3.24,631 10.5,632 0.731,633 3.045,634 3.434,635 3.761,636 4.111,637 4.369,638 4.522,639 4.585,640 4.635,641 4.489,642 4.344,643 3.837,644 0.699,645 284.15,646 3.045,647 4.615,648 5.501,649 6.425,650 7.336,651 8.264,652 9.183,653 10.112,654 11.034,655 11.963,656 3.4,659 1,667 2,672 4,674 6,683 1,687 2,688 29,689 8,690 1,691 20,693 31,694 13,695 6,696 4,697 2,700 3,701 6,702 2,705 2,706 2,708 2,710 9,711 4,712 2,714 2,717 1,718 2,719 1,722 1,725 11,726 3,727 2,728 5,729 2,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,762 2,765 18,768 1,769 1,770 1,773 3,781 2,782 6.9,784 1,785 1,789 9.667,790 4.986,791 3.833,792 1.712,794 1.672,795 1.249,796 0.953,797 2.944,798 8.383,799 3.258,800 3.839,801 4.347,802 4.91,803 5.407,804 5.711,805 5.915,806 6.236,807 6.323,808 6.408,809 1,810 31,811 6.678,813 3.036,814 8.031,815 12.521,817 11.04,819 2.531,820 45.556,821 0.001,823 105.94,824 54.293,825 18.011,826 78.297,827 67.828,830 54.293,831 252.065,832 18.011,834 2.535,835 37.905,836 86.749,837 12.944,839 105.94,840 78.297,841 105.94,842 72.304,843 67.828,844 78.297,846 94.169,847 79.599,849 2.535,850 32.806,851 115.261,853 105.94,854 85.839,855 132.59,858 105.94,859 16.388,860 37.905,861 18.011,862 146.126,863 105.94,864 85.839,865 132.59,867 0.6,868 0.359,869 0.209,870 0.119,871 17,872 8,873 0.032,874 1,875 2,876 1.308,877 2.874,878 140.958,879 0.308,880 13,881 75.059,884 12.178,885 4.351,886 1.912,888 85.839,889 3.494,894 2.737,896 60.694,897 324.369,898 25,901 11.326,902 4.073,903 -0.842,905 29.705,906 32.296,907 0.36,908 0.804,909 0.943,910 0.986,911 0.986,912 0.986,913 4.549,914 0.657,915 5.533,916 2.348,917 4.111,918 4.522,919 2.429,920 6.431,921 4.006,922 5.766,923 0.071,924 7.149,925 1.792,926 3.892,927 4.443,928 2.243,929 7.489,930 3.698,931 7.091,932 -0.45,933 8.865,934 0.192,935 5.784,936 6.635,937 3.71,938 10.644,939 5.624,940 8.445,941 -0.798,942 10.637,943 -1.167,944 6.347,945 7.321,946 4.173,947 12.509,948 6.134,949 9.829,950 -0.868,951 12.444,952 -2,953 7.769,954 9.057,955 5.293,956 15.201,957 7.569,958 11.232,959 -1,960 14.277,961 -2.119,962 8.677,963 10.101,964 5.987,965 17.402,966 8.446,967 12.653,968 -1.412,969 16.127,970 -2.465,971 9.932,972 11.662,973 6.966,974 19.937,975 9.7,976 3.309,977 -1.526,978 17.991,979 -3.934,980 10.994,981 12.888,982 7.754,983 22.282,984 10.74,985 2.781,986 11.739,987 19.866,988 -4.231,989 12.194,990 14.374,991 8.671,992 24.763,993 11.931,994 2.422,995 9.373,996 21.749,997 4.142,998 13.324,999 15.692,1000 9.5,1001 27.17,1002 13.042,1003 2.097,1004 7.726,1005 23.64,1006 3.237,1007 14.509,1008 17.144,1009 10.389,1010 29.634,1011 14.213,1012 1.784,1013 5.914,1014 25.536,1015 2.849,1016 15.67,1017 18.511,1018 11.238,1019 32.069,1020 15.356,1021 1.318,1022 5.115,1023 27.438,1024 2.75,1025 16.853,1026 19.947,1027 12.114,1028 34.528,1029 16.523,1030 1.006,1031 3.364,1032 29.343,1033 2.286,1034 18.029,1035 21.339,1036 12.971,1037 36.977,1038 17.681,1039 2345,1040 4679,1041 12.948,1042 21.199,1043 31.394,1044 32.238,1045 32.336,1046 31.155,1047 30.892,1048 37.812,1049 7.025,1050 95.126,1051 28.88,1052 5.484,1053 5.82,1054 6.414,1055 5.33,1056 5.309,1057 7.142,1058 3.987,1059 19.387,1060 5.239,1061 9.666,1062 1.57,1063 1.612,1064 1.617,1065 1.558,1066 1.545,1067 1.891,1068 0.351,1069 4.756,1070 1.444,1071 4.064,1072 4.092,1073 4.137,1074 3.999,1075 7.474,1076 3.995,1077 3.719,1078 3.743,1079 3.791,1080 3.661,1081 6.351,1082 3.647,1083 3.468,1084 3.488,1085 3.591,1086 3.246,1087 5.017,1088 3.277,1089 2.997,1090 3.02,1091 3.388,1092 2.845,1093 4.634,1094 2.835,1095 2.915,1096 2.959,1097 3.082,1098 2.831,1099 4.503,1100 2.813,1101 2.759,1102 2.815,1103 2.7,1104 2.53,1105 4.089,1106 2.545,1107 2.444,1108 2.548,1109 2.421,1110 2.224,1111 3.748,1112 2.202,1113 2.385,1114 2.46,1115 2.4,1116 2.094,1117 3.316,1118 2.107,1119 0.227,1120 0.191,1121 0.347,1122 0.214,1123 0.165,1124 4.535,1125 0.207,1126 3.82,1127 0.119,1128 6.943,1129 0.587,1130 4.288,1131 0.162,1132 3.309,1133 4.142,1134 2.375,1135 11.739,1136 3.239,1137 1.961,1138 1.942,1139 2.027,1140 2.05,1141 1.381,1142 2.051,1143 1.616,1144 1.581,1145 1.797,1146 1.757,1147 1.042,1148 1.77,1149 1.486,1150 1.451,1151 1.627,1152 1.604,1153 0.806,1154 1.623,1155 1.141,1156 1.114,1157 1.336,1158 1.411,1159 0.512,1160 1.389,1161 0.849,1162 0.836,1163 0.984,1164 1.128,1165 0.087,1166 1.092,1167 0.717,1168 0.661,1169 0.953,1170 0.892,1171 0.03,1172 0.935,1173 0.382,1174 0.328,1175 0.692,1176 0.688,1178 0.71,1179 0.123,1181 0.674,1182 0.494,1184 0.566,1185 3.714,1186 5.081,1187 2.398,1188 6.65,1189 4.595,1190 8.326,1191 6.629,1192 10.062,1195 12.163,1199 9.297,1200 0.762,1201 3.033,1204 -0.487,1209 20.267,1210 50.722,1211 113.272,1212 132.881,1213 138.881,1214 138.881,1215 138.881,1216 33.587,1217 6.711,1218 49.33,1219 49.33,1220 17,1221 12.467,1222 3.17,1223 2.585,1224 25.419,1225 45,1226 34,1227 0.326,1228 130.106,1229 231.28,1230 309.219,1231 5828,1232 6.9,1233 12.861,1234 0.715,1235 0.604,1236 13.861,1237 10.872,1238 8.575,1239 0.429,1240 0.324,1241 5.739,1242 7.778,1243 5.582,1244 4.525,1245 9.153,1246 6.482,1247 8.284,1248 0.276,1249 0.184,1250 9.063,1251 5.509,1252 6.855,1253 0.163,1254 0.099,1255 7.423,1256 4.168,1257 6.203,1258 0.103,1259 0.057,1260 6.976,1261 3.429,1262 4.963,1263 0.064,1264 0.029,1265 5.463,1266 2.292,1267 0.469,1268 59.366,1269 0.278,1270 17.17,1271 1.034,1272 100,1273 300.625,1274 137.521,1275 350.202,1276 448.28,1277 322,1278 122,1279 274.364,1280 149.891,1281 296.809,1282 439.39,1283 280,1284 4}
{0 CHEMBL1368913,1 1.701,2 10.852,3 4.84,4 23.423,5 103.918,6 9.625,7 0.4,8 3.873,9 3.944,10 3.643,11 3.507,12 5.084,13 3.499,14 4.399,15 4.493,16 4.09,17 3.947,18 5.705,19 3.915,20 4.739,21 4.892,22 4.199,23 4.106,24 5.912,25 4.044,26 4.781,27 4.946,28 4.287,29 4.032,30 6.086,31 3.992,32 4.67,33 4.836,34 3.93,35 3.851,36 5.985,37 3.82,38 4.47,39 4.633,40 3.862,41 3.688,42 5.797,43 3.647,44 4.295,45 4.462,46 3.631,47 3.572,48 5.522,49 3.502,50 4.136,51 4.294,52 3.664,53 3.498,54 5.435,55 3.429,56 0.142,57 0.518,58 4.848,59 3.602,60 17.139,61 3.76,62 0.378,63 0.873,64 9.49,65 6.397,66 51.407,67 7.141,68 0.604,69 1.202,70 23.483,71 9.819,72 69.54,73 11.043,74 0.84,75 1.234,76 31.145,77 10.233,78 94.8,79 10.778,80 0.738,81 1.078,82 22.707,83 9.171,84 89.664,85 9.37,86 0.66,87 0.865,88 19.416,89 7.7,90 76.683,91 7.986,92 0.509,93 0.728,94 17.599,95 6.544,96 57.699,97 6.966,98 0.463,99 0.624,100 13.964,101 5.575,102 54.99,103 6.426,104 27,105 44,106 0.296,107 0.692,108 0.848,109 0.929,110 0.929,111 0.929,112 3.34,113 0.917,114 -5.27,115 -5.16,116 -4.83,118 47.6,120 1,121 2,124 1,128 2,131 6,132 2,133 4,142 2,151 1,153 1,154 10,156 1,157 4,160 1,162 3,163 1,164 17,165 1,169 5,172 1,173 1,174 5,176 10,177 2,180 11,185 4,187 10,188 4,192 8,194 1,196 4,199 8,200 2,204 7,209 2,212 11,217 2,218 1,220 1,222 1,225 9,229 1,230 2,232 1,234 1,237 9,243 1,247 3,250 10,251 1,253 1000,254 17.947,255 17.947,256 17.947,257 17.947,258 17.947,259 15.937,260 23.137,261 10.269,262 18.347,263 14.788,264 14.788,265 14.788,266 14.788,267 14.788,268 11.715,269 30.862,270 4.849,271 15.534,272 3.691,273 1.408,274 0.512,275 0.048,276 0.048,277 0.048,278 4.033,279 2,281 1,282 1,283 637,284 3.391,285 51.995,286 198.159,288 91.054,289 97.368,291 1.583,292 39.439,295 1,296 1,297 1,298 0.6,299 0.5,300 1,301 1,302 0.87,303 59.167,304 293,305 4.472,306 3.813,307 6.892,308 4.264,309 3.276,310 4.024,311 2.375,312 11.557,313 3.235,314 4.349,315 3.723,316 6.409,317 3.949,318 2.995,319 3.965,320 1.674,321 9.736,322 2.836,323 3.971,324 3.376,325 6.166,326 3.671,327 2.691,328 3.23,329 0.68,330 8.926,331 2.635,332 3.707,333 3.083,334 5.594,335 3.354,336 2.396,337 3.024,338 0.458,339 7.228,340 2.304,341 3.584,342 2.723,343 5.358,344 3.237,345 2.296,346 2.806,348 6.871,349 2.094,350 3.426,351 2.63,352 5.069,353 3.018,354 2.095,355 2.665,357 6.057,358 1.889,359 3.069,360 2.393,361 4.583,362 2.559,363 1.671,364 2.221,365 4.477,366 1.534,367 2.881,368 2.238,369 4.535,370 2.542,371 1.554,372 1.968,373 4.188,374 1.355,375 2.709,376 1.594,377 3.866,378 2.196,379 1.2,380 1.684,382 2.959,383 1.187,384 2.656,385 1.574,386 3.82,387 2.14,388 1.159,389 1.606,391 2.81,392 1.107,393 2.151,394 1.071,395 3.482,396 1.826,397 0.83,398 1.023,400 2.059,401 0.825,402 1.784,403 0.989,404 3.362,405 1.605,406 0.632,407 0.703,409 1.688,410 0.61,411 1.35,412 0.79,413 2.912,414 1,415 0.086,416 0.102,418 0.223,419 0.072,420 1.247,421 0.534,422 2.658,423 0.74,424 -0.157,425 -0.201,427 -0.376,428 -0.124,429 0.796,430 0.441,431 2.461,432 0.406,433 -0.515,434 -0.621,436 -1.242,437 -0.293,438 13.162,439 0.487,440 0.822,441 0.03,442 34.25,443 1.269,444 17,445 0.63,446 17.25,447 0.639,448 23.06,449 0.854,450 28.238,451 0.672,452 26.247,453 0.972,454 6.656,455 0.247,456 6.279,457 0.233,458 0.185,460 0.418,462 0.716,463 0.991,464 0.524,465 0.767,466 0.645,467 0.738,468 0.51,469 1.177,470 0.605,471 0.939,472 0.414,473 0.955,474 0.846,475 1.101,476 0.893,477 1.006,478 0.745,479 1.036,480 1.007,481 1.019,482 0.769,483 0.977,484 0.988,485 0.957,486 1.303,487 0.938,488 0.73,489 0.89,490 1.418,491 0.945,492 1.106,493 0.967,494 0.707,495 0.931,496 1.134,497 0.95,498 1.171,499 0.889,500 0.966,501 0.878,502 1.152,503 0.968,504 0.718,505 0.949,506 0.828,507 0.829,508 0.954,509 0.877,510 6,511 0.179,512 3.556,513 2.118,514 2.057,515 1.118,516 0.464,517 0.451,518 0.328,519 0.197,520 8723,521 31839,522 2.075,523 35.7,524 3,525 9,528 2,530 1,531 1.7,532 1.906,533 3.371,534 0.267,540 71.435,541 1.701,542 3.985,543 4.88,544 5.345,545 5.345,546 5.345,547 2.852,548 4.459,549 4.728,550 3.539,551 1242.02,552 8.201,553 15614.1,555 1,558 226.477,559 1.506,560 4.668,561 0.2,562 0.009,563 0.081,564 0.046,565 0.047,566 0.031,567 0.015,568 0.018,569 0.013,570 0.009,571 0.469,572 0.17,573 1,574 0.803,575 133.116,576 -0.079,577 0.062,578 -0.007,579 0.066,580 -0.069,581 0.063,582 0.159,583 -0.143,584 0.004,585 -0.076,586 0.18,587 -0.104,588 -0.035,589 -0.086,590 -0.053,591 -0.069,592 -0.022,593 -0.077,594 -0.005,595 -0.005,596 0.118,597 -0.025,598 -0.014,599 0.014,600 -0.18,601 0.039,602 -0.016,603 0.051,604 -0.169,605 0.025,606 -0.024,607 -0.016,608 0.095,609 0.034,610 -0.056,611 0.041,612 -0.156,613 0.074,614 -0.063,615 0.102,616 -0.165,617 0.032,618 0.179,619 0.018,620 0.108,621 0.153,622 0.033,623 0.126,624 2.535,625 5.426,626 0.704,627 23.226,628 1.027,629 1.108,630 4.041,631 16.332,632 0.729,633 3.434,634 3.807,635 4.111,636 4.419,637 4.654,638 4.787,639 4.89,640 5.043,641 5.124,642 5.193,643 6.294,644 0.708,645 404.26,646 3.434,647 5.004,648 5.878,649 6.783,650 7.676,651 8.585,652 9.484,653 10.395,654 11.297,655 12.21,656 2.4,659 1,667 6,672 6,674 12,681 1,683 1,687 2,688 42,689 15,690 2,691 30,693 45,694 20,695 12,696 6,697 6,698 1,700 4,701 7,702 2,705 2,706 2,708 2,710 16,711 4,712 2,714 3,717 2,718 2,719 2,725 15,726 5,727 2,728 7,729 2,732 1,734 0.5,735 4,743 1,744 3,746 1,747 1,751 1,752 2,755 1,757 2,762 2,765 27,768 1,769 1,770 1,771 1,773 3,781 2,782 9.5,784 1,785 2,787 1,789 14.167,790 7.402,791 5.778,792 2.455,794 2.599,795 1.335,796 0.967,797 4.888,798 10.349,799 3.689,800 4.277,801 4.8,802 5.348,803 5.846,804 6.105,805 6.366,806 6.732,807 7.008,808 7.301,809 1,810 46,811 10.032,813 4.533,814 8.058,815 18.586,817 15.952,819 2.558,820 69.056,822 1,823 153.024,824 107.818,825 18.011,826 78.297,827 103.973,830 107.818,831 335.295,832 18.011,834 2.535,835 75.81,836 119.085,837 32.372,839 153.024,840 78.297,841 153.024,842 125.829,843 103.973,844 78.297,846 141.253,847 115.744,849 2.535,850 86.331,851 115.261,853 153.024,854 121.984,855 186.116,858 153.024,859 32.008,860 75.81,861 18.011,862 182.27,863 153.024,864 121.984,865 186.116,867 0.596,868 0.353,869 0.196,870 0.105,871 23,872 11,873 0.089,874 4,875 2,876 1.211,877 3.788,878 240.612,879 0.211,880 19,881 128.382,884 18.355,885 7.19,886 3.449,888 121.984,889 9.706,894 2.901,896 60.694,897 461.124,898 39,901 23.977,902 4.01,903 -1.449,905 43.127,906 46.546,907 0.315,908 0.739,909 0.905,910 0.991,911 0.991,912 0.991,913 4.963,914 1.554,915 5.894,916 4.477,917 4.489,918 4.963,919 2.831,920 6.756,921 4.399,922 6.179,923 1.2,924 7.488,925 4.188,926 4.205,927 4.82,928 2.243,929 7.745,930 4.042,931 7.496,932 1.159,933 9.18,934 2.959,935 6.133,936 7.09,937 4.036,938 10.871,939 5.986,940 8.842,941 0.83,942 10.928,943 2.81,944 6.635,945 7.705,946 4.173,947 12.674,948 6.442,949 10.215,950 0.632,951 12.713,952 2.059,953 8.07,954 9.496,955 5.493,956 15.332,957 7.882,958 11.608,959 0.086,960 14.522,961 1.688,962 8.925,963 10.469,964 5.987,965 17.481,966 8.709,967 13.017,968 -0.157,969 16.35,970 0.223,971 10.177,972 12.059,973 7.076,974 19.982,975 9.957,976 3.276,977 -0.515,978 18.193,979 -0.376,980 11.196,981 13.217,982 7.754,983 22.285,984 10.958,985 2.995,986 11.557,987 20.047,988 -1.242,989 12.381,990 14.711,991 8.728,992 24.733,993 12.135,994 2.691,995 9.736,996 21.91,997 4.024,998 13.476,999 15.969,1000 9.5,1001 27.106,1002 13.216,1003 2.396,1004 8.926,1005 23.781,1006 3.965,1007 14.64,1008 17.413,1009 10.419,1010 29.54,1011 14.372,1012 2.296,1013 7.228,1014 25.658,1015 3.23,1016 15.772,1017 18.727,1018 11.238,1019 31.945,1020 15.492,1021 2.095,1022 6.871,1023 27.541,1024 3.024,1025 16.932,1026 20.144,1027 12.129,1028 34.378,1029 16.643,1030 1.671,1031 6.057,1032 29.429,1033 2.806,1034 18.082,1035 21.489,1036 12.971,1037 36.801,1038 17.783,1039 8344,1040 16067,1041 19.709,1042 30.631,1043 46.419,1044 47.979,1045 47.869,1046 46.108,1047 45.763,1048 58.038,1049 10.374,1050 137.556,1051 43.369,1052 5.42,1053 5.813,1054 6.363,1055 5.336,1056 5.276,1057 7.024,1058 4.049,1059 19.141,1060 5.235,1061 15.042,1062 1.547,1063 1.599,1064 1.596,1065 1.537,1066 1.525,1067 1.935,1068 0.346,1069 4.585,1070 1.446,1071 4.071,1072 4.098,1073 4.106,1074 3.993,1075 7.474,1076 3.993,1077 3.918,1078 3.926,1079 3.996,1080 3.87,1081 7.433,1082 3.862,1083 3.716,1084 3.744,1085 3.661,1086 3.634,1087 6.351,1088 3.63,1089 3.47,1090 3.49,1091 3.591,1092 3.245,1093 5.009,1094 3.278,1095 3.269,1096 3.245,1097 3.402,1098 3.066,1099 4.823,1100 3.098,1101 2.946,1102 2.976,1103 3.297,1104 2.804,1105 4.624,1106 2.79,1107 2.896,1108 2.959,1109 2.957,1110 2.793,1111 4.464,1112 2.769,1113 2.878,1114 2.922,1115 2.784,1116 2.725,1117 4.211,1118 2.737,1119 0.149,1120 0.127,1121 0.23,1122 0.142,1123 0.109,1124 4.472,1125 0.134,1126 3.813,1127 0.079,1128 6.892,1129 0.385,1130 4.264,1131 0.108,1132 3.276,1133 4.024,1134 2.375,1135 11.557,1136 3.235,1137 1.967,1138 1.946,1139 2.057,1140 2.072,1141 1.38,1142 2.068,1143 1.88,1144 1.869,1145 1.928,1146 1.947,1147 1.068,1148 1.954,1149 1.617,1150 1.581,1151 1.804,1152 1.77,1153 1.04,1154 1.777,1155 1.49,1156 1.453,1157 1.664,1158 1.624,1159 0.814,1160 1.639,1161 1.145,1162 1.114,1163 1.347,1164 1.42,1165 0.515,1166 1.394,1167 1.099,1168 1.113,1169 1.155,1170 1.348,1171 0.191,1172 1.287,1173 0.868,1174 0.824,1175 1.093,1176 1.106,1177 0.15,1178 1.076,1179 0.826,1180 0.795,1181 1.046,1182 1.015,1183 0.125,1184 1.054,1185 4.111,1186 5.468,1187 2.398,1188 7.018,1189 4.595,1190 8.665,1191 6.629,1192 10.365,1195 11.92,1199 9.474,1200 0.693,1201 3.08,1202 5.475,1204 -0.731,1209 29.75,1210 71.435,1211 167.358,1212 204.968,1213 224.477,1214 224.477,1215 224.477,1216 59.113,1217 7.749,1218 75.63,1219 75.63,1220 23,1221 12.725,1222 4,1223 3.322,1224 40.293,1225 104,1226 103,1227 0.195,1228 186.142,1229 336.14,1230 445.947,1231 24367,1232 4.8,1233 19.129,1234 0.708,1235 0.574,1236 20.129,1237 15.498,1238 12.936,1239 0.431,1240 0.306,1241 8.381,1242 11.946,1243 8.186,1244 6.672,1245 13.513,1246 9.166,1247 12.278,1248 0.279,1249 0.169,1250 13.057,1251 7.42,1252 10.247,1253 0.171,1254 0.092,1255 10.841,1256 5.51,1257 8.996,1258 0.11,1259 0.051,1260 9.773,1261 4.183,1262 7.015,1263 0.067,1264 0.026,1265 7.345,1266 2.693,1267 0.305,1268 86.921,1269 0.225,1270 25.707,1271 0.54,1272 148,1273 480.096,1274 192.053,1275 517.909,1276 673.62,1277 478,1278 178,1279 439.273,1280 211.38,1281 460.434,1282 679.31,1283 434,1284 4}
{0 CHEMBL1373509,1 1.739,2 6.409,3 1.578,4 2.489,5 77.086,6 8.949,7 0.25,8 3.687,9 3.765,10 3.368,11 3.189,12 5.038,13 3.225,14 4.202,15 4.296,16 3.794,17 3.654,18 5.764,19 3.663,20 4.551,21 4.711,22 3.919,23 3.843,24 5.801,25 3.831,26 4.684,27 4.846,28 4.025,29 3.854,30 6.045,31 3.877,32 4.688,33 4.84,34 3.955,35 3.731,36 6.166,37 3.779,38 4.521,39 4.68,40 3.713,41 3.419,42 6.058,43 3.488,44 4.254,45 4.385,46 3.465,47 2.814,48 6.407,49 2.964,50 3.549,51 3.719,52 2.309,53 1.872,54 5.665,55 1.958,56 0.279,57 0.492,58 4.96,59 3.023,60 41.208,61 2.988,62 0.532,63 0.813,64 8.698,65 5.387,66 112.577,67 5.867,68 0.698,69 1.087,70 16.356,71 7.381,72 116.253,73 8.833,74 0.954,75 1.166,76 20.231,77 7.62,78 157.163,79 8.691,80 1.119,81 1.058,82 21.334,83 7.291,84 192.283,85 7.674,86 1.05,87 0.805,88 19.753,89 6.11,90 189.402,91 6.425,92 1.406,93 0.487,94 17.057,95 3.986,96 282.755,97 4.086,98 0.82,99 0.202,100 10.217,101 1.773,102 170.559,103 1.687,104 46,105 36,106 0.319,107 0.751,108 0.878,109 0.91,110 0.91,111 0.91,112 3.15,113 0.828,114 -3.17,115 -3.16,116 -3.04,118 41.2,120 1,121 2,124 1,128 2,131 2,132 2,133 2,142 2,150 2,151 2,153 2,154 8,155 1,156 1,157 3,160 2,162 4,163 1,164 10,165 2,169 8,172 1,173 1,174 5,175 1,176 5,177 4,180 11,183 2,184 1,185 7,187 5,188 5,192 13,193 1,194 2,196 5,199 6,200 3,201 1,203 1,204 7,205 5,207 1,209 3,210 2,212 2,213 3,216 4,217 3,218 2,220 5,221 1,222 3,229 2,232 2,253 532,254 14.328,255 14.328,256 14.328,257 14.328,258 14.328,259 12.762,260 19.912,261 8.101,262 14.437,263 11.802,264 11.802,265 11.802,266 11.802,267 11.802,268 9.38,269 27.438,270 3.741,271 11.975,272 3.348,273 0.989,274 0.294,275 0.118,276 0.118,277 0.118,278 3.819,280 1,281 1,282 1,283 293,284 3.536,285 34.408,286 81.097,288 60.288,289 69.784,291 0.955,292 48.149,294 1,295 1,296 1,297 1,298 0.6,300 1,301 1,302 0.8,303 51,304 141,305 4.666,306 3.878,307 7.119,308 4.372,309 3.386,310 4.359,311 2.612,312 12.4,313 3.339,314 4.099,315 3.772,316 6.486,317 3.881,318 2.889,319 3.599,320 2.375,321 9.991,322 2.86,323 4.069,324 3.604,325 6.205,326 3.659,327 2.676,328 3.272,329 1.437,330 8.969,331 2.619,332 3.655,333 3.31,334 5.663,335 3.312,336 2.324,337 2.875,338 0.68,339 7.137,340 2.283,341 3.359,342 2.62,343 5.224,344 2.947,345 1.962,346 2.518,347 0.458,348 5.817,349 1.92,350 2.94,351 2.304,352 4.468,353 2.45,354 1.46,355 2.064,357 3.85,358 1.428,359 2.803,360 1.767,361 3.926,362 2.338,363 1.339,364 1.82,365 3.11,366 1.332,367 2.699,368 1.709,369 3.828,370 2.161,371 1.161,372 1.597,373 2.724,374 1.154,375 2.224,376 1.319,377 3.478,378 1.865,379 0.866,380 1.087,382 2.139,383 0.861,384 1.775,385 1,386 3.391,387 1.57,388 0.591,389 0.67,391 1.586,392 0.574,393 1.14,394 0.944,395 2.836,396 0.755,397 -0.231,398 -0.278,400 -0.632,401 -0.224,402 1,403 0.54,404 2.625,405 0.591,406 -0.399,407 -0.502,409 -1.166,410 -0.392,411 0.919,412 0.447,413 2.418,414 0.078,415 -0.911,416 -1.062,418 -2,419 -0.88,420 0.461,421 0.047,422 2.068,424 -1,425 -1.326,427 -2,428 -0.967,429 0.437,430 -0.006,431 1.771,432 -0.006,433 -1,434 -1.371,436 -2,437 -0.977,438 9.8,439 0.445,440 0.758,441 0.034,442 27.75,443 1.261,444 13.5,445 0.614,446 14.25,447 0.648,448 16.825,449 0.765,450 24.4,451 0.718,452 22.831,453 1.038,454 5.513,455 0.251,456 4.9,457 0.223,458 0.204,460 0.5,462 0.65,463 0.964,464 0.664,465 0.847,466 0.66,467 0.783,468 0.373,469 1.211,470 0.687,471 1.126,472 0.337,473 1.062,474 0.593,475 1.201,476 0.823,477 1.131,478 0.565,479 1.091,480 0.886,481 1.062,482 0.92,483 1.035,484 0.847,485 0.993,486 1.227,487 1.069,488 1.113,489 1.09,490 1.211,491 1.056,492 1.394,493 1.029,494 1.148,495 1.122,496 1.456,497 1.055,498 1.331,499 0.727,500 1.211,501 0.843,502 1.431,503 0.957,504 1.907,505 0.202,506 1.752,507 0.27,508 1.836,509 0.788,510 4.5,512 3.111,513 1.868,514 2.025,515 1.559,516 0.894,517 0.262,520 3739,521 16098,522 1.991,523 35.3,524 3,525 5,528 3,530 1,531 1.659,532 1.784,533 2.708,534 1.159,536 1,538 1,540 59.141,541 1.739,542 4.099,543 4.793,544 4.97,545 4.97,546 4.97,547 2.134,548 3.55,549 4.432,550 2.832,551 654.305,552 7.684,553 6946.08,554 1,555 1,557 1,558 172.974,559 1.539,560 4.344,561 0.188,563 0.086,564 0.047,565 0.047,566 0.041,567 0.032,568 0.015,571 0.455,572 0.5,573 1,574 1.106,575 96.567,576 0.002,577 0.237,578 -0.02,579 0.226,580 -0.058,581 0.12,582 0.239,583 -0.072,584 0.004,585 -0.035,586 0.271,587 -0.096,588 0.039,589 -0.143,590 0.03,591 -0.094,592 0.036,593 -0.056,594 -0.085,595 -0.027,596 0.001,597 -0.059,598 -0.085,599 -0.007,600 -0.229,601 -0.104,602 -0.13,603 -0.141,604 -0.219,605 -0.099,606 -0.253,607 -0.151,608 -0.069,609 -0.191,610 -0.287,611 -0.084,612 0.309,613 0.02,614 0.04,615 0.002,616 0.29,617 -0.074,618 -0.052,619 0.428,620 -0.314,621 0.52,622 0.092,623 0.125,624 2.928,625 4.435,626 0.591,627 13.818,628 1.047,629 1.127,630 1.937,631 3.751,632 0.663,633 3.219,634 3.611,635 3.951,636 4.304,637 4.595,638 4.82,639 4.977,640 4.92,641 4.86,642 4.828,643 4.32,644 0.675,645 304.28,646 3.219,647 4.796,648 5.687,649 6.616,650 7.538,651 8.476,652 9.408,653 10.347,654 11.283,655 12.223,656 5.9,659 1,664 1,667 2,672 4,674 6,680 1,683 1,684 1,688 34,689 11,690 1,691 24,693 36,694 14,695 6,696 4,697 2,698 1,700 3,701 6,705 2,706 2,708 2,710 10,711 4,712 2,714 5,715 1,717 4,718 2,719 2,721 1,722 1,725 12,726 7,727 3,728 8,732 2,734 0.333,735 6,743 1,744 2,746 1,747 1,751 1,752 2,755 2,757 1,765 22,768 2,769 1,770 1,773 3,782 17.6,784 2,785 2,788 2,789 12.333,790 5.85,791 4.75,792 1.918,794 1.916,795 1.27,796 0.9,797 3.47,798 9.015,799 3.497,800 4.086,801 4.603,802 5.184,803 5.725,804 6.146,805 6.539,806 6.576,807 6.779,808 6.981,809 1,810 40,811 8.253,813 3.904,814 8.591,815 14.558,817 12.572,819 3.091,820 68,823 105.94,824 54.144,825 23.681,827 186.403,830 54.144,831 292.343,832 23.681,833 5.67,834 2.535,835 37.905,836 155.487,837 11.885,839 105.94,840 50.747,841 105.94,842 77.825,843 186.403,846 94.169,847 147.428,848 50.747,849 2.535,850 32.657,851 42.633,853 105.94,854 210.084,855 54.144,858 105.94,859 16.239,860 43.575,861 18.011,862 186.403,863 105.94,864 210.084,865 54.144,867 0.599,868 0.36,869 0.206,870 0.121,871 19,872 10,873 0.083,874 3,875 2,876 1.308,877 3.113,878 188.215,879 0.308,880 13,881 96.107,884 14.693,885 5.195,886 2.225,888 204.414,889 2.29,894 -0.077,896 103.377,897 370.168,898 32,899 -0.573,901 45.278,902 3.498,903 -2.365,905 35.585,906 38.329,907 0.342,908 0.806,909 0.942,910 0.977,911 0.977,912 0.977,913 4.783,914 1.161,915 5.727,916 3.11,917 4.29,918 4.771,919 3.284,920 6.648,921 4.261,922 6.017,923 0.866,924 7.361,925 2.724,926 4.111,927 4.796,928 2.946,929 7.784,930 4.063,931 7.357,932 0.591,933 9.097,934 2.139,935 5.984,936 6.939,937 4.719,938 10.944,939 5.925,940 8.728,941 -0.231,942 10.89,943 1.586,944 6.594,945 7.756,946 5.04,947 12.884,948 6.519,949 10.13,950 -0.399,951 12.72,952 -0.632,953 8.005,954 9.448,955 6.394,956 15.591,957 7.918,958 11.554,959 -0.911,960 14.573,961 -1.166,962 8.947,963 10.608,964 7.004,965 17.856,966 8.846,967 12.996,968 -1,969 16.444,970 -2,971 10.202,972 12.148,973 8.167,974 20.418,975 10.089,976 3.386,977 -1,978 18.327,979 -2,980 11.288,981 13.463,982 8.921,983 22.821,984 11.161,985 2.889,986 12.4,987 20.221,988 -2,989 12.494,990 14.95,991 9.987,992 25.34,993 12.355,994 2.676,995 9.991,996 22.123,997 4.359,998 13.643,999 16.341,1000 10.82,1001 27.803,1002 13.49,1003 2.324,1004 8.969,1005 24.032,1006 3.599,1007 14.84,1008 17.81,1009 11.834,1010 30.311,1011 14.674,1012 1.962,1013 7.137,1014 25.947,1015 3.272,1016 16.018,1017 19.238,1018 12.712,1019 32.8,1020 15.838,1021 1.46,1022 5.817,1023 27.867,1024 2.875,1025 17.216,1026 20.703,1027 13.698,1028 35.308,1029 17.023,1030 1.339,1031 3.85,1032 29.791,1033 2.518,1034 18.41,1035 22.15,1036 14.604,1037 37.811,1038 18.203,1039 3842,1040 8026,1041 15.145,1042 22.545,1043 37.909,1044 39.217,1045 39.575,1046 37.36,1047 37.309,1048 47.724,1049 15.123,1050 115.447,1051 36.738,1052 5.617,1053 5.878,1054 6.589,1055 5.415,1056 5.386,1057 7.359,1058 4.612,1059 20.099,1060 5.339,1061 13.73,1062 1.58,1063 1.634,1064 1.649,1065 1.557,1066 1.555,1067 1.989,1068 0.63,1069 4.81,1070 1.531,1071 4.106,1072 4.131,1073 4.068,1074 4.011,1075 7.815,1076 4.018,1077 3.795,1078 3.825,1079 3.731,1080 3.673,1081 7.477,1082 3.675,1083 3.573,1084 3.586,1085 3.552,1086 3.263,1087 7.471,1088 3.312,1089 3.447,1090 3.456,1091 3.386,1092 3.14,1093 6.999,1094 3.212,1095 3.134,1096 3.121,1097 3.089,1098 2.795,1099 6.352,1100 2.828,1101 2.965,1102 3.011,1103 2.855,1104 2.683,1105 6.35,1106 2.769,1107 2.788,1108 2.854,1109 2.618,1110 2.533,1111 4.694,1112 2.551,1113 2.6,1114 2.685,1115 2.446,1116 2.342,1117 4.382,1118 2.366,1119 0.194,1120 0.162,1121 0.297,1122 0.182,1123 0.141,1124 4.666,1125 0.182,1126 3.878,1127 0.109,1128 7.119,1129 0.517,1130 4.372,1131 0.139,1132 3.386,1133 4.359,1134 2.612,1135 12.4,1136 3.339,1137 1.994,1138 1.975,1139 2.063,1140 2.132,1141 1.391,1142 2.102,1143 1.633,1144 1.597,1145 1.812,1146 1.852,1147 1.065,1148 1.813,1149 1.507,1150 1.468,1151 1.682,1152 1.693,1153 0.833,1154 1.667,1155 1.295,1156 1.284,1157 1.375,1158 1.635,1159 0.519,1160 1.585,1161 1.096,1162 1.079,1163 1.248,1164 1.421,1165 0.169,1166 1.376,1167 0.855,1168 0.845,1169 1.038,1170 1.274,1171 0.104,1172 1.199,1173 0.759,1174 0.711,1175 0.933,1176 1.102,1178 1.07,1179 0.431,1180 0.383,1181 0.743,1182 0.743,1184 0.759,1185 3.892,1186 5.263,1187 2.398,1188 6.836,1189 4.595,1190 8.517,1191 6.629,1192 10.263,1199 18.608,1200 0.475,1201 2.688,1204 -1.822,1209 22.966,1210 59.141,1211 139.364,1212 162.974,1213 168.974,1214 168.974,1215 168.974,1216 65.478,1217 7.099,1218 132.45,1219 132.45,1220 17,1221 12.719,1222 3.585,1223 3.17,1224 33.917,1225 58,1226 47,1227 0.314,1228 139.957,1229 259.04,1230 333.256,1231 9282,1233 16.016,1234 0.728,1235 0.51,1236 16.016,1237 11.223,1238 10.414,1239 0.434,1240 0.276,1241 6.501,1242 9.827,1243 6.448,1244 5.252,1245 10.414,1246 6.621,1247 10.036,1248 0.279,1249 0.147,1250 10.036,1251 5.297,1252 8.154,1253 0.16,1254 0.082,1255 8.154,1256 4.19,1257 7.249,1258 0.099,1259 0.045,1260 7.249,1261 3.272,1262 5.94,1263 0.061,1264 0.023,1265 5.94,1266 2.264,1267 0.453,1268 67.098,1269 0.257,1270 20.528,1271 0.998,1272 120,1273 467.219,1274 137.087,1275 438.014,1276 562.5,1277 398,1278 147,1279 395.67,1280 162.405,1281 389.639,1282 571.16,1283 365,1284 4}
{0 CHEMBL1376870,1 1.44,2 5.941,3 2.565,4 6.58,5 68.044,6 7.166,7 0.316,8 3.571,9 3.682,10 3.105,11 3.158,12 4.652,13 3.125,14 4.128,15 4.28,16 3.514,17 3.613,18 5.243,19 3.55,20 4.462,21 4.661,22 3.574,23 3.779,24 5.455,25 3.677,26 4.548,27 4.784,28 3.52,29 3.734,30 5.528,31 3.63,32 4.412,33 4.636,34 3.326,35 3.525,36 5.572,37 3.423,38 4.153,39 4.412,40 2.758,41 3.159,42 5.223,43 2.999,44 3.774,45 4.081,46 1.934,47 2.616,48 4.654,49 2.364,50 3.114,51 3.498,52 1.416,53 1.774,54 3.925,55 1.54,56 0.031,57 0.436,58 6.85,59 3.169,60 7.868,61 4.061,62 0.135,63 0.752,64 12.602,65 5.606,66 34.832,67 7.527,68 0.219,69 1.004,70 18.837,71 7.563,72 37.181,73 10.384,74 0.204,75 1.043,76 21.662,77 7.891,78 40.358,79 10.907,80 0.192,81 0.852,82 19.148,83 6.987,84 45.116,85 9.254,86 0.195,87 0.64,88 15.293,89 5.296,90 40.79,91 7.22,92 0.132,93 0.41,94 10.865,95 3.758,96 26.59,97 5.315,98 0.056,99 0.196,100 5.886,101 1.885,102 11.443,103 2.882,104 11,105 28,106 0.273,107 0.684,108 0.866,109 0.906,110 0.906,111 0.906,112 2.912,113 0.937,114 -3.68,115 -3.65,116 -3.47,118 43.8,119 1,120 1,121 2,124 1,128 2,131 3,132 2,133 1,142 1,151 1,153 1,154 11,160 1,162 3,163 1,164 14,165 1,169 1,172 1,173 1,174 5,176 10,177 2,180 2,185 5,187 8,188 4,192 4,196 5,199 8,200 2,204 2,209 2,212 4,213 1,217 1,222 1,226 1,230 1,234 1,253 223,254 11.361,255 11.361,256 11.361,257 11.361,258 11.361,259 10.22,260 16.938,261 6.525,262 11.416,263 9.377,264 9.377,265 9.377,266 9.377,267 9.377,268 7.661,269 24.542,270 3.077,271 9.476,272 3.56,273 1.386,274 0.422,275 0.211,276 0.211,277 0.211,278 3.583,281 1,282 1,283 216,284 2.449,285 23.872,286 58.88,288 43.685,289 50.173,291 1.01,292 17.426,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 36.5,304 101,305 4.463,306 3.813,307 6.891,308 4.263,309 3.274,310 3.991,311 2.375,312 11.552,313 3.236,314 3.951,315 3.376,316 6.161,317 3.67,318 2.675,319 3.195,320 0.68,321 8.893,322 2.655,323 3.602,324 2.667,325 5.583,326 3.333,327 2.344,328 2.805,329 0.458,330 7.157,331 2.31,332 3.404,333 2.338,334 4.955,335 3.064,336 2.076,337 2.644,339 5.794,340 2.048,341 2.881,342 2.21,343 4.537,344 2.549,345 1.555,346 1.968,348 4.188,349 1.534,350 2.707,351 1.592,352 3.833,353 2.194,354 1.195,355 1.61,357 2.81,358 1.187,359 2.149,360 1.069,361 3.479,362 1.827,363 0.831,364 1.024,365 2.059,366 0.827,367 1.78,368 0.948,369 3.358,370 1.608,371 0.631,372 0.7,373 1.676,374 0.613,375 1.214,376 0.536,377 2.721,378 0.924,379 -0.062,380 -0.073,382 -0.153,383 -0.061,384 0.669,385 0.209,386 2.467,387 0.313,388 -0.682,389 -0.839,391 -1.971,392 -0.677,393 0.497,394 -0.359,395 2.324,396 0.177,397 -0.811,398 -0.913,400 -2,401 -0.787,402 0.333,403 -0.461,404 1.815,405 -0.013,406 -1,407 -1.339,409 -2.239,410 -0.974,411 0.086,412 -1.042,413 1.761,414 -0.189,415 -1.181,416 -1.558,418 -3.256,419 -1.173,420 -0.198,421 -1.062,422 1.494,423 -0.473,424 -1.464,425 -1.618,427 -3.819,428 -1.465,429 -0.5,430 -1.347,431 1.294,432 -0.58,433 -1.579,434 -1.852,436 -5.015,437 -1.579,438 8.067,439 0.475,440 0.507,441 0.03,442 19.5,443 1.147,444 9,445 0.529,446 10.5,447 0.618,448 13.555,449 0.797,450 18.333,451 0.573,452 12.193,453 0.717,454 3.708,455 0.218,456 4.457,457 0.262,458 0.145,460 0.434,462 0.793,463 1.038,464 0.832,465 0.94,466 0.713,467 0.895,468 0.402,469 1.151,470 0.833,471 1.057,472 0.35,473 1.015,474 0.657,475 1.149,476 1.028,477 1.119,478 0.707,479 1.129,480 0.979,481 0.981,482 0.974,483 0.963,484 0.931,485 0.958,486 1.312,487 1.058,488 1.074,489 1.097,490 1.308,491 1.06,492 1.319,493 0.954,494 1.187,495 1.039,496 1.295,497 1.085,498 1.063,499 0.925,500 1.073,501 1.016,502 1.165,503 1.051,504 0.528,505 0.484,506 0.316,507 0.499,508 0.519,509 0.397,510 3.5,512 2.222,513 1.056,514 1.444,515 0.681,516 0.242,517 0.118,520 2056,521 5304,522 2.091,523 46.9,524 6,525 6,528 2,530 1,531 1.578,532 1.925,533 2.609,534 0.353,536 1,537 1,538 1,540 46.094,541 1.44,542 3.614,543 4.578,544 4.789,545 4.789,546 4.789,547 2.207,548 3.617,549 4.062,550 2.686,551 365.348,552 6.908,553 3177.54,554 1,555 1,557 1,558 160,559 1.496,560 4.004,561 0.184,563 0.079,564 0.038,565 0.056,566 0.034,567 0.024,568 0.039,571 0.454,572 1,573 1,574 0.922,575 67.547,576 -0.088,577 0.099,578 0.017,579 0.118,580 -0.077,581 0.09,582 0.201,583 -0.064,584 0.03,585 -0.02,586 0.206,587 -0.022,588 0.08,589 -0.111,590 -0.116,591 -0.131,592 -0.016,593 -0.156,594 -0.072,595 0.012,596 -0.007,597 -0.009,598 -0.08,599 0.005,600 -0.101,601 -0.13,602 -0.074,603 -0.14,604 -0.033,605 -0.107,606 -0.154,607 -0.049,608 -0.171,609 -0.105,610 -0.095,611 -0.132,612 -0.053,613 -0.109,614 -0.04,615 -0.084,616 -0.088,617 -0.066,618 0.262,619 0.263,620 0.772,621 0.408,622 0.287,623 0.631,624 2.421,625 4.283,626 0.765,627 8.595,628 0.998,629 1.119,630 2.448,631 5.994,632 0.664,633 2.996,634 3.367,635 3.689,636 4.025,637 4.29,638 4.394,639 4.477,640 4.522,641 4.369,642 4.143,643 3.771,644 0.629,645 229.3,646 2.996,647 4.554,648 5.434,649 6.347,650 7.253,651 8.172,652 9.086,653 10.005,654 10.921,655 11.841,656 3.1,659 1,667 3,672 3,674 6,683 1,688 32,689 8,690 1,691 19,693 34,694 14,695 6,696 3,697 3,700 3,701 6,704 1,705 2,706 2,708 2,710 9,711 5,712 2,714 2,717 1,718 2,719 1,722 1,725 15,726 3,727 2,728 3,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 1,765 17,768 1,769 1,770 1,773 3,782 6.3,784 1,785 1,789 8.833,790 5.783,791 3.639,792 1.939,794 1.667,795 1.253,796 0.949,797 2.387,798 8.259,799 3.219,800 3.773,801 4.266,802 4.811,803 5.325,804 5.562,805 5.82,806 6.129,807 6.221,808 6.23,809 1,810 28,811 6.327,813 2.825,814 7.833,815 12.174,817 10.724,819 2.333,820 39.667,821 0.002,823 153.024,824 68.779,825 18.011,827 67.828,830 68.779,831 220.853,832 18.011,833 8.825,834 2.535,835 47.381,836 86.749,837 9.128,839 153.024,841 153.024,842 86.789,843 67.828,846 141.253,847 79.599,849 11.36,850 38.467,851 36.963,853 153.024,854 85.839,855 68.779,858 153.024,859 12.572,860 56.206,861 18.011,862 67.828,863 153.024,864 85.839,865 68.779,867 0.594,868 0.353,869 0.203,870 0.119,871 16,872 7,873 0.029,874 1,875 2,876 1.308,877 2.841,878 128.715,879 0.308,880 13,881 69.487,884 10.696,885 3.794,886 1.628,888 85.839,889 6.167,894 3.426,896 60.694,897 307.642,898 24,901 11.283,902 4.254,903 -0.755,905 31.942,906 35.824,907 0.288,908 0.723,909 0.916,910 0.958,911 0.958,912 0.958,913 4.494,914 0.631,915 5.451,916 2.059,917 4.043,918 4.454,919 2.429,920 6.33,921 4.021,922 5.695,923 -0.062,924 7.052,925 1.676,926 3.761,927 4.27,928 2.243,929 7.361,930 3.727,931 7.005,932 -0.682,933 8.754,934 -0.153,935 5.694,936 6.522,937 3.71,938 10.507,939 5.649,940 8.345,941 -0.811,942 10.515,943 -1.971,944 6.217,945 7.11,946 4.173,947 12.363,948 6.16,949 9.714,950 -1,951 12.314,952 -2,953 7.657,954 8.884,955 5.293,956 15.042,957 7.59,958 11.105,959 -1.181,960 14.139,961 -2.239,962 8.539,963 9.836,964 5.987,965 17.236,966 8.461,967 12.512,968 -1.464,969 15.983,970 -3.256,971 9.8,972 11.414,973 6.966,974 19.76,975 9.711,976 3.274,977 -1.579,978 17.842,979 -3.819,980 10.846,981 12.557,982 7.754,983 22.097,984 10.745,985 2.675,986 11.552,987 19.711,988 -5.015,989 12.045,990 14.042,991 8.671,992 24.566,993 11.933,994 2.344,995 8.893,996 21.59,997 3.991,998 13.164,999 15.29,1000 9.5,1001 26.964,1002 13.04,1003 2.076,1004 7.157,1005 23.476,1006 3.195,1007 14.345,1008 16.728,1009 10.389,1010 29.416,1011 14.209,1012 1.555,1013 5.794,1014 25.368,1015 2.805,1016 15.497,1017 18.035,1018 11.238,1019 31.839,1020 15.349,1021 1.195,1022 4.188,1023 27.265,1024 2.644,1025 16.674,1026 19.448,1027 12.114,1028 34.286,1029 16.515,1030 0.831,1031 2.81,1032 29.167,1033 1.968,1034 17.842,1035 20.788,1036 12.971,1037 36.721,1038 17.671,1039 2067,1040 3371,1041 12.542,1042 21.245,1043 29.667,1044 30.03,1045 30.439,1046 29.182,1047 29.16,1048 35.872,1049 7.025,1050 88.257,1051 28.818,1052 5.412,1053 5.813,1054 6.362,1055 5.304,1056 5.274,1057 6.991,1058 3.987,1059 19.135,1060 5.236,1061 8.139,1062 1.561,1063 1.581,1064 1.602,1065 1.536,1066 1.535,1067 1.888,1068 0.37,1069 4.645,1070 1.517,1071 4.068,1072 4.1,1073 4.006,1074 3.998,1075 7.474,1076 3.995,1077 3.738,1078 3.776,1079 3.648,1080 3.666,1081 6.351,1082 3.656,1083 3.471,1084 3.496,1085 3.401,1086 3.252,1087 4.776,1088 3.281,1089 3.175,1090 3.239,1091 3.029,1092 3.003,1093 4.415,1094 2.997,1095 2.897,1096 2.963,1097 2.748,1098 2.789,1099 4.058,1100 2.771,1101 2.825,1102 2.88,1103 2.653,1104 2.533,1105 3.66,1106 2.557,1107 2.619,1108 2.73,1109 2.359,1110 2.371,1111 3.577,1112 2.353,1113 2.428,1114 2.54,1115 2.176,1116 2.216,1117 3.211,1118 2.195,1119 0.235,1120 0.201,1121 0.363,1122 0.224,1123 0.172,1124 4.463,1125 0.21,1126 3.813,1127 0.125,1128 6.891,1129 0.608,1130 4.263,1131 0.17,1132 3.274,1133 3.991,1134 2.375,1135 11.552,1136 3.236,1137 1.983,1138 1.957,1139 2.086,1140 2.076,1141 1.387,1142 2.08,1143 1.638,1144 1.599,1145 1.829,1146 1.794,1147 1.086,1148 1.804,1149 1.516,1150 1.471,1151 1.722,1152 1.643,1153 0.876,1154 1.673,1155 1.158,1156 1.113,1157 1.462,1158 1.426,1159 0.559,1160 1.398,1161 1.127,1162 1.074,1163 1.337,1164 1.36,1165 0.503,1166 1.393,1167 0.749,1168 0.687,1169 1.051,1170 1.035,1171 0.131,1172 1.016,1173 0.618,1174 0.531,1175 0.914,1176 0.929,1178 0.969,1179 0.307,1180 0.228,1181 0.702,1182 0.625,1184 0.66,1185 3.664,1186 5.017,1187 2.398,1188 6.575,1189 4.595,1190 8.238,1191 6.629,1192 9.962,1194 2.067,1199 9.275,1200 0.849,1201 3.156,1204 -0.056,1209 20.139,1210 46.094,1211 115.635,1212 146.49,1213 153.245,1214 153.245,1215 153.245,1216 26.879,1217 6.592,1218 49.33,1219 49.33,1220 17,1221 12.35,1222 3.17,1223 2.585,1224 23.483,1225 41,1226 34,1227 0.325,1228 123.033,1229 218.16,1230 291.96,1231 5093,1233 11.991,1234 0.705,1235 0.569,1236 11.991,1237 9.681,1238 8.165,1239 0.43,1240 0.312,1241 5.884,1242 7.965,1243 5.725,1244 4.722,1245 8.165,1246 5.932,1247 7.744,1248 0.277,1249 0.175,1250 7.744,1251 4.904,1252 6.466,1253 0.166,1254 0.097,1255 6.466,1256 3.784,1257 5.676,1258 0.103,1259 0.054,1260 5.676,1261 2.958,1262 4.807,1263 0.067,1264 0.029,1265 4.807,1266 2.078,1267 0.469,1268 50.551,1269 0.282,1270 16.37,1271 1.026,1272 94,1273 240.218,1274 100.482,1275 234.88,1276 317.47,1277 218,1278 114,1279 229.638,1280 119.931,1281 234.363,1282 344.75,1283 221,1284 4}
{0 CHEMBL1403497,1 1.805,2 6.267,3 0.137,4 0.019,5 47.875,6 9.052,7 0.313,8 3.3,9 3.385,10 3.005,11 2.728,12 4.607,13 2.798,14 3.808,15 3.932,16 3.373,17 3.071,18 5.186,19 3.124,20 4.004,21 4.146,22 3.278,23 3.054,24 5.396,25 3.112,26 3.9,27 4.046,28 3.241,29 2.879,30 5.744,31 2.937,32 3.687,33 3.874,34 2.985,35 2.725,36 5.155,37 2.753,38 3.455,39 3.563,40 2.765,41 2.523,42 5.004,43 2.597,44 3.195,45 3.397,46 2.019,47 2.162,48 4.593,49 2.074,50 2.494,51 2.775,52 1.383,53 1.312,54 3.814,55 1.27,56 0.163,57 0.344,58 3.016,59 1.78,60 18.056,61 1.82,62 0.392,63 0.515,64 6.67,65 2.924,66 31.634,67 3.298,68 0.63,69 0.527,70 10.281,71 3.206,72 84.358,73 3.152,74 0.679,75 0.448,76 9.671,77 2.946,78 126.23,79 3.478,80 0.531,81 0.355,82 9.297,83 2.696,84 61.7,85 3.467,86 0.369,87 0.286,88 5.548,89 1.951,90 44.522,91 1.683,92 0.325,93 0.202,94 5.53,95 1.67,96 42.346,97 2.076,98 0.14,99 0.078,100 3.692,101 0.843,102 20.396,103 1.32,104 10,105 22,106 0.37,107 0.735,108 0.855,109 0.891,110 0.891,111 0.891,112 2.795,113 0.812,114 -0.44,115 -0.57,116 -0.72,118 39.1,120 1,123 1,131 2,138 1,139 1,142 2,143 1,154 1,156 2,157 5,160 3,162 1,168 1,169 1,179 4,180 2,183 1,191 2,192 3,194 1,196 1,199 1,204 2,209 1,212 1,216 1,217 1,230 1,253 220,254 9.861,255 9.861,256 9.861,257 9.861,258 9.861,259 8.825,260 11.073,261 5.852,262 9.945,263 7.895,264 7.895,265 7.895,266 7.895,267 7.895,268 6.243,269 12.415,270 2.794,271 7.989,272 2.719,273 0.935,274 0.348,275 0.174,276 0.174,277 0.174,278 3.435,281 1,282 1,283 195,284 1.871,285 39.488,286 47.862,291 0.987,292 27.893,295 1,296 1,297 1,298 0.3,300 1,301 1,302 0.76,303 35,304 94,305 4.236,306 3.993,307 6.437,308 4,309 3.033,310 3.55,311 2.205,312 9.87,313 2.923,314 3.885,315 3.426,316 5.347,317 3.495,318 2.495,319 3.356,320 1.744,321 6.98,322 2.493,323 3.433,324 3.341,325 4.981,326 3.088,327 2.079,328 2.573,329 1.629,330 5.805,331 2.08,332 3.303,333 2.737,334 4.879,335 2.909,336 1.879,337 2.414,338 0.596,339 5.225,340 1.911,341 2.648,342 1.771,343 3.583,344 2.242,345 1.238,346 1.687,348 2.744,349 1.24,350 2.118,351 1.193,352 3.102,353 1.618,354 0.618,355 0.927,357 1.372,358 0.618,359 1.926,360 1.009,361 3,362 1.528,363 0.512,364 0.655,365 1.302,366 0.513,367 1,368 0.754,369 2.653,370 0.689,371 -0.347,372 -0.414,373 -0.898,374 -0.352,375 1,376 0.618,377 2.37,378 0.48,379 -0.581,380 -0.709,382 -1.425,383 -0.589,384 0.614,385 -0.069,386 1.528,387 0.315,388 -0.753,389 -1.179,390 -0.124,391 -1.847,392 -0.829,393 -0.074,394 -0.597,395 1.468,396 -0.423,397 -1.454,398 -1.84,399 -0.226,400 -3.397,401 -1.465,402 -0.118,403 -0.764,404 1.265,405 -0.53,406 -1.532,407 -2,408 -0.7,409 -4.117,410 -1.533,411 -0.303,412 -1.268,413 1,414 -0.614,415 -1.597,416 -2,417 -0.91,418 -4.372,419 -1.593,420 -0.313,421 -1.525,422 1,423 -0.618,424 -1.618,425 -2,426 -1.163,427 -4.493,428 -1.618,429 -0.854,430 -1.618,431 1,432 -1.007,433 -1.973,434 -2.427,435 -1.359,436 -5.916,437 -1.879,438 6.633,439 0.442,440 0.421,441 0.028,442 19,443 1.267,444 8.5,445 0.567,446 10.5,447 0.7,448 8.36,449 0.557,450 16.767,451 0.729,452 12.846,453 0.856,454 4.171,455 0.278,456 2.994,457 0.2,458 0.151,460 0.362,462 0.752,463 1.574,464 0.61,465 1.232,466 0.538,467 0.934,468 0.621,469 1.066,470 0.736,471 1.069,472 0.579,473 0.986,474 1.408,475 1.033,476 1.282,477 0.99,478 1.333,479 1.05,480 0.83,481 1.026,482 0.976,483 1.051,484 0.898,485 1.07,486 0.714,487 0.643,488 0.704,489 0.696,490 0.809,491 0.694,492 1.645,493 1.154,494 1.367,495 1.161,496 1.46,497 1.159,498 0.923,499 0.805,500 1.397,501 1.06,502 1.141,503 1.348,504 0.825,505 0.628,506 0.595,507 0.745,508 1.028,509 0.624,510 3.5,512 1.556,513 1.222,514 0.919,515 0.236,516 0.261,517 0.077,518 0.031,520 1527,521 6327,522 1.993,523 34.8,525 4,526 1,528 1,529 2,531 1.533,532 1.837,533 2.675,534 -0.069,540 41.513,541 1.805,542 3.588,543 4.176,544 4.35,545 4.35,546 4.35,547 2.182,548 2.974,549 3.882,550 2.775,551 291.334,552 6.512,553 2376.7,555 1,558 104.042,559 1.506,560 3.82,561 0.219,563 0.071,564 0.064,565 0.054,566 0.017,567 0.024,568 0.019,569 0.016,571 0.483,572 0.67,573 1,574 0.725,575 58.009,576 -0.119,577 -0.365,578 0.025,579 -0.184,580 -0.032,581 -0.051,582 0.142,583 0.064,584 0.05,585 -0.094,586 0.03,587 -0.088,588 -0.384,589 -0.069,590 -0.345,591 -0.07,592 -0.303,593 -0.155,594 0.232,595 -0.107,596 0.027,597 -0.136,598 0.325,599 -0.142,600 0.257,601 0.218,602 0.391,603 0.275,604 0.078,605 0.371,606 -0.506,607 -0.238,608 -0.449,609 -0.206,610 -0.328,611 -0.281,612 0.02,613 0.016,614 -0.296,615 -0.1,616 -0.125,617 -0.274,618 0.112,619 -0.014,620 0.812,621 0.212,622 0.069,623 0.674,624 2.368,625 4.344,626 0.733,627 7.689,628 1.051,629 1.134,630 -0.786,631 0.618,632 0.657,633 2.833,634 3.135,635 3.332,636 3.555,637 3.555,638 3.526,639 3.367,640 3.296,641 3.045,642 2.833,643 3.924,644 0.673,645 208.19,646 2.833,647 4.344,648 5.165,649 6.028,650 6.866,651 7.732,652 8.576,653 9.443,654 10.29,655 11.156,656 8.7,660 2,667 3,670 1,672 1,674 5,688 23,689 8,691 16,693 24,694 9,695 4,700 2,701 2,703 1,705 1,708 1,710 7,711 2,714 3,717 3,719 3,722 1,724 1,725 8,726 6,727 1,728 6,732 2,733 2,734 1,735 4,743 1,744 1,757 2,765 15,769 2,770 1,774 1,782 17.4,785 3,787 1,789 8.167,790 4.117,791 3.306,792 1.228,794 1.071,795 1.19,796 0.943,797 2.558,798 6.72,799 3.114,800 3.59,801 3.939,802 4.401,803 4.261,804 4.496,805 4.551,806 4.721,807 4.416,808 4.535,809 1,810 19,811 5.555,812 -0.001,813 2.43,814 8.478,815 9.861,817 7.768,819 2.978,820 44.667,821 0.001,823 82.398,824 54.466,825 21.135,827 84.942,830 54.466,831 167.34,832 21.135,834 25.775,835 30.692,836 84.844,837 9.507,838 21.496,839 70.627,841 82.398,842 75.601,843 84.942,846 82.398,847 84.942,849 25.775,850 49.826,853 82.398,854 106.077,855 54.466,858 82.398,859 23.774,860 33.816,861 18.011,862 84.942,863 82.398,864 106.077,865 54.466,867 0.582,868 0.331,869 0.18,870 0.08,871 11,872 5,873 0.083,874 2,876 1,877 2.713,878 95.48,880 11,881 58.603,884 9.926,885 3.866,886 2.075,888 106.077,889 4.761,892 5.001,894 0.493,896 18.011,897 242.941,898 21.5,901 33.446,903 -1.784,905 24.164,906 26.08,907 0.399,908 0.793,909 0.923,910 0.962,911 0.962,912 0.962,913 4.334,914 -0.347,915 5.153,916 1.302,917 3.807,918 4.27,919 2.963,920 5.927,921 3.783,922 5.513,923 -0.581,924 6.693,925 -0.898,926 3.434,927 4.034,928 2.444,929 6.742,930 3.407,931 6.797,932 -0.753,933 8.332,934 -1.425,935 5.361,936 6.244,937 4.016,938 9.822,939 5.285,940 8.107,941 -1.454,942 10.026,943 -1.847,944 5.771,945 6.779,946 4.084,947 11.447,948 5.675,949 9.445,950 -1.532,951 11.757,952 -3.397,953 7.192,954 8.452,955 5.278,956 14.051,957 7.047,958 10.798,959 -1.597,960 13.513,961 -4.117,962 7.967,963 9.343,964 5.643,965 16.037,966 7.791,967 12.165,968 -1.618,969 15.289,970 -4.372,971 9.19,972 10.791,973 6.657,974 18.462,975 8.966,976 3.033,977 -1.973,978 17.08,979 -4.493,980 10.139,981 11.859,982 7.193,983 20.613,984 9.878,985 2.495,986 9.87,987 18.884,988 -5.916,989 11.284,990 13.204,991 8.111,992 22.963,993 10.977,994 2.079,995 6.98,996 20.698,997 3.55,998 12.315,999 14.361,1000 8.749,1001 25.189,1002 11.967,1003 1.879,1004 5.805,1005 22.52,1006 3.356,1007 13.431,1008 15.659,1009 9.613,1010 27.506,1011 13.039,1012 1.238,1013 5.225,1014 24.35,1015 2.573,1016 14.5,1017 16.86,1018 10.312,1019 29.767,1020 14.068,1021 0.618,1022 2.744,1023 26.186,1024 2.414,1025 15.608,1026 18.135,1027 11.146,1028 32.069,1029 15.132,1030 0.512,1031 1.372,1032 28.026,1033 1.687,1034 16.696,1035 19.36,1036 11.882,1037 34.345,1038 16.179,1039 1584,1040 3302,1041 10.345,1042 15.114,1043 24.284,1044 25.21,1045 24.159,1046 23.67,1047 23.71,1048 30.322,1049 12.349,1050 66.597,1051 23.554,1052 5.236,1053 5.755,1054 6.051,1055 5.07,1056 5.033,1057 6.141,1058 3.898,1059 16.705,1060 4.842,1061 7.298,1062 1.518,1063 1.576,1064 1.51,1065 1.479,1066 1.482,1067 1.895,1068 0.772,1069 4.162,1070 1.472,1071 3.943,1072 3.964,1073 3.891,1074 3.761,1075 7.461,1076 3.786,1077 3.771,1078 3.792,1079 3.723,1080 3.546,1081 7.412,1082 3.586,1083 3.201,1084 3.247,1085 3.123,1086 2.965,1087 7.411,1088 2.987,1089 3.103,1090 3.128,1091 3.053,1092 2.765,1093 5.071,1094 2.831,1095 2.771,1096 2.787,1097 2.646,1098 2.491,1099 3.998,1100 2.538,1101 2.418,1102 2.486,1103 2.238,1104 2.136,1105 3.623,1106 2.142,1107 2.148,1108 2.205,1109 1.903,1110 1.726,1111 3.598,1112 1.766,1113 2.074,1114 2.147,1115 1.853,1116 1.661,1117 3.229,1118 1.703,1119 0.265,1120 0.25,1121 0.402,1122 0.25,1123 0.19,1124 4.236,1125 0.222,1126 3.993,1127 0.138,1128 6.437,1129 0.617,1130 4,1131 0.183,1132 3.033,1133 3.55,1134 2.205,1135 9.87,1136 2.923,1137 1.726,1138 1.691,1139 1.845,1140 1.982,1141 1.021,1142 1.936,1143 1.504,1144 1.469,1145 1.676,1146 1.663,1147 0.826,1148 1.659,1149 1.342,1150 1.321,1151 1.533,1152 1.585,1153 0.586,1154 1.572,1155 0.957,1156 0.929,1157 1.148,1158 1.294,1159 0.1,1160 1.249,1161 0.835,1162 0.814,1163 1.034,1164 1.206,1166 1.134,1167 0.458,1168 0.405,1169 0.685,1170 0.83,1172 0.807,1175 0.343,1176 0.474,1178 0.415,1181 0.245,1182 0.259,1184 0.22,1185 3.497,1186 4.796,1187 2.398,1188 6.275,1189 4.443,1190 7.848,1191 6.26,1192 9.474,1200 -0.253,1201 2.058,1205 0.945,1209 15.482,1210 41.513,1211 82.532,1212 96.042,1213 100.042,1214 100.042,1215 100.042,1216 30.974,1217 5.649,1218 79.62,1219 79.62,1220 11,1221 11.706,1222 3.17,1223 2.7,1224 23.527,1225 34,1226 30,1227 0.35,1228 97.251,1229 172.6,1230 229.053,1231 1525,1233 10.836,1234 0.722,1235 0.515,1236 10.836,1237 7.726,1238 7.165,1239 0.448,1240 0.271,1241 4.218,1242 6.67,1243 4.176,1244 3.419,1245 7.165,1246 4.332,1247 6.581,1248 0.299,1249 0.14,1250 6.581,1251 3.089,1252 5.09,1253 0.189,1254 0.074,1255 5.09,1256 1.998,1257 4.372,1258 0.129,1259 0.038,1260 4.372,1261 1.295,1262 2.58,1263 0.076,1264 0.021,1265 2.58,1266 0.707,1267 0.519,1268 46.574,1269 0.311,1270 15.032,1271 1.04,1272 76,1273 336.92,1274 91.154,1275 307.995,1276 396.31,1277 284,1278 87,1279 273.047,1280 100.855,1281 267.084,1282 386.68,1283 250,1284 4}
{0 CHEMBL1403646,1 1.822,2 10.368,3 1.558,4 2.428,5 75.278,6 8.435,7 0.55,8 3.609,9 3.725,10 3.329,11 3.129,12 4.782,13 3.1,14 4.083,15 4.241,16 3.61,17 3.419,18 5.252,19 3.36,20 4.201,21 4.406,22 3.511,23 3.374,24 5.268,25 3.28,26 4.058,27 4.258,28 3.183,29 3.246,30 5.084,31 3.139,32 4.06,33 4.274,34 3.219,35 3.203,36 5.282,37 3.091,38 4.025,39 4.277,40 3.153,41 3.093,42 5.077,43 2.998,44 3.838,45 4.074,46 2.971,47 2.982,48 4.937,49 2.904,50 3.756,51 3.969,52 3.012,53 2.956,54 4.935,55 2.848,56 0.092,57 0.523,58 6.269,59 2.954,60 6.996,61 3.413,62 0.287,63 0.765,64 14.614,65 4.699,66 21.336,67 5.541,68 0.419,69 0.724,70 17.913,71 5.277,72 36.124,73 6.394,74 0.278,75 0.635,76 15.857,77 5.097,78 27.884,79 5.904,80 0.426,81 0.632,82 15.178,83 4.937,84 45.494,85 6.153,86 0.315,87 0.593,88 16.492,89 4.607,90 25.404,91 5.944,92 0.231,93 0.51,94 10.771,95 3.248,96 25.059,97 4.282,98 0.277,99 0.465,100 10.185,101 3.347,102 26.492,103 4.102,104 2,105 24,106 0.341,107 0.691,108 0.806,109 0.85,110 0.865,111 0.865,112 3.007,113 1.014,114 -2.99,115 -2.99,116 -2.89,118 36.4,123 3,131 5,133 1,137 1,142 1,144 1,152 1,154 4,156 1,157 4,160 2,164 4,169 3,172 1,174 2,176 2,180 1,191 3,194 2,196 2,204 1,207 1,208 1,209 2,217 2,222 1,229 2,230 2,237 2,242 1,245 1,250 2,253 459,254 13.104,255 13.104,256 13.104,257 13.104,258 13.104,259 11.577,260 10.972,261 8.377,262 13.618,263 9.916,264 9.916,265 9.916,266 9.916,267 9.916,268 7.693,269 10.55,270 4.051,271 10.73,272 3.222,273 1.352,274 0.738,275 0.508,276 0.424,277 0.424,278 3.671,280 1,281 1,282 1,283 414,284 3.162,285 63.2,286 73.847,291 1.717,292 17.139,294 1,295 1,296 1,297 1,298 0.8,300 1,301 1,302 0.83,303 42,304 197,305 3.932,306 4.459,307 5.374,308 3.476,309 2.576,310 3.482,311 3.359,312 7.055,313 2.385,314 3.897,315 3.562,316 5.34,317 3.449,318 2.522,319 3.444,320 1.737,321 6.965,322 2.329,323 3.63,324 2.871,325 4.996,326 3.273,327 2.302,328 2.815,329 0.86,330 5.989,331 2.149,332 2.949,333 2.617,334 3.722,335 2.56,336 1.613,337 2.114,338 0.146,339 3.334,340 1.516,341 2.667,342 1.913,343 3.54,344 2.284,345 1.355,346 1.72,348 2.882,349 1.254,350 2.5,351 1.589,352 3.384,353 2.125,354 1.217,355 1.5,357 2.599,358 1.08,359 2.456,360 1.517,361 3.247,362 2,363 1,364 1.439,365 2.136,366 1,367 2.118,368 1.006,369 3,370 1.554,371 0.618,372 0.927,373 1.372,374 0.577,375 1.714,376 1,377 2.936,378 1.414,379 0.56,380 0.622,382 1.263,383 0.471,384 1.508,385 0.618,386 2.536,387 1.126,388 0.227,389 0.269,391 0.489,392 0.197,393 0.82,394 0.256,395 2.051,396 0.475,397 -0.484,398 -0.57,400 -1.073,401 -0.453,402 0.5,403 0.085,404 1.578,405 0.048,406 -0.905,407 -1.083,409 -2.148,410 -0.784,411 0.454,412 -0.229,413 1.555,415 -1,416 -1.303,418 -2.252,419 -0.978,420 0.253,421 -0.712,422 1.191,423 -0.041,424 -1,425 -1.5,427 -2.347,428 -1,429 -0.118,430 -1,431 1,432 -0.546,433 -1.472,434 -1.84,436 -3.25,437 -1.396,438 9.1,439 0.479,440 0.243,441 0.013,442 24.75,443 1.303,444 12.5,445 0.658,446 12.25,447 0.645,448 11.927,449 0.628,450 20.9,451 0.633,452 14.661,453 0.772,454 5.063,455 0.266,456 4.281,457 0.225,458 0.037,460 0.165,462 0.813,463 1.246,464 0.728,465 0.972,466 0.597,467 0.924,468 0.98,469 1.185,470 1.125,471 1.243,472 0.72,473 1.088,474 1.322,475 0.896,476 0.941,477 0.949,478 1.358,479 0.958,480 1.303,481 1.106,482 1.263,483 1.209,484 1.291,485 1.156,486 0.724,487 0.941,488 1.02,489 1.069,490 0.997,491 1.12,492 0.828,493 0.955,494 0.892,495 1.003,496 0.815,497 0.904,498 1.206,499 0.859,500 0.821,501 0.723,502 1.405,503 0.897,504 1.09,505 0.723,506 0.941,507 0.798,508 1.441,509 0.97,510 2.5,511 0.034,512 1.111,513 0.41,514 0.436,515 0.177,516 0.212,517 0.115,518 0.036,519 0.066,520 4031,521 13048,522 2.056,523 42.4,525 11,527 1,528 2,531 1.591,532 2,533 3.37,534 0.497,536 1,538 1,540 60.142,541 1.822,542 3.692,543 4.306,544 4.537,545 4.62,546 4.62,547 2.76,548 3.722,549 4.223,550 3.542,551 605.748,552 7.132,553 6582.43,554 1,555 1,557 1,558 166.465,559 0.913,560 4.215,561 0.125,562 0.004,563 0.046,564 0.022,565 0.027,566 0.011,567 0.014,568 0.009,569 0.003,570 0.007,571 0.268,572 0.5,573 1,574 0.447,575 86.625,576 -0.042,577 -0.059,578 0.057,579 0.005,580 -0.026,581 -0.002,582 0.009,583 -0.077,584 -0.084,585 -0.172,586 0.007,587 -0.148,588 -0.115,589 0.02,590 0.073,591 0.045,592 -0.179,593 0.013,594 -0.226,595 -0.17,596 -0.232,597 -0.173,598 -0.189,599 -0.167,600 0.33,601 -0.017,602 -0.064,603 -0.115,604 0.264,605 -0.148,606 0.124,607 -0.069,608 0.115,609 -0.054,610 0.117,611 0.095,612 -0.225,613 0.075,614 -0.023,615 0.081,616 -0.154,617 0.03,618 0.009,619 0.232,620 -0.012,621 0.125,622 -0.077,623 -0.026,624 1.73,625 4.496,626 0.579,627 15.956,628 1.017,629 1.134,630 1.761,631 3.101,632 0.678,633 3.045,634 3.219,635 3.332,636 3.434,637 3.401,638 3.219,639 3.219,640 3.178,641 3.045,642 3.045,643 6.347,644 0.647,645 278.37,646 3.045,647 4.489,648 5.252,649 6.038,650 6.812,651 7.599,652 8.378,653 9.164,654 9.944,655 10.731,656 12.1,660 1,661 1,663 2,667 6,668 2,669 1,672 2,674 11,686 1,688 33,689 12,690 1,691 20,693 34,694 12,695 8,696 1,697 5,700 2,701 2,710 9,711 3,714 1,717 1,719 1,721 1,722 1,725 14,726 5,727 2,728 7,729 1,732 4,734 1,735 2,743 1,744 1,750 1,757 2,758 1,759 1,765 19,769 3,770 1,771 1,772 1,779 1,782 6.1,785 1,787 1,789 9.5,790 5.65,791 4.417,792 1.765,794 1.649,795 1.281,796 0.946,797 5.718,798 7.527,799 3.314,800 3.755,801 4.145,802 4.545,803 4.676,804 4.369,805 4.459,806 4.556,807 4.362,808 4.479,809 0.857,810 19,811 6.966,813 2.772,814 7.86,815 13.087,817 9.834,819 2.36,820 44.833,821 0.001,823 141.253,824 106.458,825 68.122,827 36.145,829 32.22,830 74.239,831 177.398,832 68.122,834 25.609,835 47.381,836 83.688,837 32.906,838 0.693,839 161.702,841 141.253,842 142.361,843 36.145,844 32.22,846 141.253,847 36.145,849 51.583,850 57.329,851 33.449,852 32.22,853 141.253,854 104.267,855 106.458,858 141.253,859 50.458,860 56,861 34.674,862 69.593,863 141.253,864 104.267,865 106.458,867 0.546,868 0.294,869 0.149,870 0.069,871 9,872 3,873 0.206,874 7,876 1,877 3.443,878 117.04,880 11,881 76.711,882 1,884 13.902,885 7.815,886 5.323,888 87.604,889 10.966,890 7.762,891 2.59,894 1.363,896 34.674,897 351.979,898 26.5,901 11.496,903 -0.063,905 33.556,906 37.408,907 0.361,908 0.732,909 0.854,910 0.899,911 0.916,912 0.916,913 4.451,914 0.618,915 5.13,916 2.136,917 3.892,918 4.437,919 3.399,920 5.714,921 3.743,922 5.565,923 0.56,924 6.538,925 1.372,926 2.944,927 3.689,928 1.593,929 6.071,930 2.753,931 6.782,932 0.227,933 8.037,934 1.263,935 5.263,936 6.405,937 5.576,938 9.092,939 4.961,940 8.033,941 -0.484,942 9.591,943 0.489,944 5.198,945 6.552,946 3.522,947 10.34,948 4.823,949 9.314,950 -0.905,951 11.183,952 -1.073,953 6.855,954 8.615,955 7.946,956 12.733,957 6.405,958 10.616,959 -1,960 12.799,961 -2.148,962 7.225,963 9.188,964 5.91,965 14.347,966 6.68,967 11.932,968 -1,969 14.431,970 -2.252,971 8.56,972 10.94,973 10.351,974 16.491,975 7.961,976 2.576,977 -1.472,978 16.074,979 -2.347,980 9.163,981 11.746,982 8.482,983 18.273,984 8.457,985 2.522,986 7.055,987 17.726,988 -3.25,989 10.326,990 13.325,991 12.763,992 20.308,993 9.576,994 2.302,995 6.965,996 19.382,997 3.482,998 11.062,999 14.271,1000 11.074,1001 22.171,1002 10.199,1003 1.613,1004 5.989,1005 21.042,1006 3.444,1007 12.128,1008 15.746,1009 15.176,1010 24.157,1011 11.224,1012 1.355,1013 3.334,1014 22.705,1015 2.815,1016 12.943,1017 16.781,1018 13.65,1019 26.06,1020 11.924,1021 1.217,1022 2.882,1023 24.369,1024 2.114,1025 13.954,1026 18.187,1027 17.59,1028 28.023,1029 12.893,1030 1,1031 2.599,1032 26.036,1033 1.72,1034 14.815,1035 19.283,1036 16.206,1037 29.947,1038 13.642,1039 3954,1040 7254,1041 13.693,1042 22.387,1043 28.242,1044 30.803,1045 28.15,1046 27.92,1047 27.982,1048 36.662,1049 12.207,1050 68.17,1051 25.918,1052 4.873,1053 6.459,1054 5.176,1055 4.624,1056 4.576,1057 6.482,1058 6.685,1059 12.13,1060 4.385,1061 5.178,1062 1.412,1063 1.54,1064 1.408,1065 1.396,1066 1.399,1067 1.833,1068 0.61,1069 3.409,1070 1.296,1071 3.9,1072 3.934,1073 4.013,1074 3.815,1075 7.429,1076 3.813,1077 3.829,1078 3.899,1079 3.822,1080 3.632,1081 5.111,1082 3.621,1083 3.642,1084 3.702,1085 3.578,1086 3.391,1087 4.862,1088 3.422,1089 3.337,1090 3.377,1091 3.324,1092 3.16,1093 4.372,1094 3.143,1095 2.894,1096 2.947,1097 2.998,1098 2.735,1099 3.986,1100 2.72,1101 2.854,1102 2.925,1103 2.69,1104 2.728,1105 3.709,1106 2.715,1107 2.677,1108 2.739,1109 2.687,1110 2.534,1111 3.674,1112 2.48,1113 2.407,1114 2.497,1115 2.193,1116 2.125,1117 3.595,1118 2.115,1119 0.197,1120 0.223,1121 0.269,1122 0.174,1123 0.129,1124 3.932,1125 0.174,1126 4.459,1127 0.168,1128 5.374,1129 0.353,1130 3.476,1131 0.119,1132 2.576,1133 3.482,1134 3.359,1135 7.055,1136 2.385,1137 1.874,1138 1.849,1139 2.002,1140 1.982,1141 1.076,1142 1.988,1143 1.589,1144 1.543,1145 1.791,1146 1.825,1147 1.001,1148 1.822,1149 1.362,1150 1.321,1151 1.516,1152 1.674,1153 0.818,1154 1.625,1155 1.297,1156 1.196,1157 1.482,1158 1.545,1159 0.349,1160 1.569,1161 1.068,1162 1.016,1163 1.181,1164 1.353,1165 0.218,1166 1.307,1167 0.886,1168 0.821,1169 1.122,1170 1.078,1171 0.194,1172 1.107,1173 0.839,1174 0.788,1175 1.074,1176 1.062,1177 0.096,1178 1.088,1179 0.545,1180 0.433,1181 0.961,1182 0.87,1183 0.005,1184 0.912,1185 3.714,1186 4.92,1187 2.398,1188 6.29,1189 4.443,1190 7.729,1191 6.26,1192 9.203,1200 1.215,1201 2.765,1202 5.456,1203 1.283,1209 21.336,1210 60.142,1211 121.836,1212 142.1,1213 149.71,1214 152.465,1215 152.465,1216 27.174,1217 5.878,1218 79.9,1219 105.2,1220 11,1221 11.34,1222 3.7,1223 2.907,1224 34.112,1225 73,1226 55,1227 0.221,1228 139.828,1229 233.89,1230 332.94,1231 2560,1233 13.339,1234 0.702,1235 0.58,1236 13.692,1237 11.021,1238 9.343,1239 0.467,1240 0.338,1241 5.746,1242 8.416,1243 5.568,1244 4.628,1245 9.797,1246 6.761,1247 7.621,1248 0.318,1249 0.189,1250 8.199,1251 4.524,1252 5.826,1253 0.216,1254 0.112,1255 6.564,1256 3.023,1257 4.365,1258 0.146,1259 0.064,1260 4.986,1261 1.931,1262 2.921,1263 0.101,1264 0.04,1265 3.503,1266 1.15,1267 0.365,1268 63.949,1269 0.27,1270 20.064,1271 0.555,1272 88,1273 322.287,1274 123.813,1275 323.837,1276 428.92,1277 304,1278 95,1279 287.473,1280 125.99,1281 298.19,1282 425.83,1283 279,1284 4}
{0 CHEMBL1409373,1 1.811,2 6.95,3 0.907,4 0.823,5 76.345,6 8.658,7 0.273,8 3.666,9 3.751,10 3.531,11 3.259,12 4.8,13 3.225,14 4.224,15 4.332,16 3.825,17 3.702,18 5.752,19 3.655,20 4.563,21 4.734,22 3.851,23 3.867,24 5.765,25 3.786,26 4.628,27 4.825,28 3.815,29 3.829,30 5.83,31 3.755,32 4.532,33 4.733,34 3.716,35 3.662,36 5.79,37 3.576,38 4.3,39 4.5,40 3.502,41 3.375,42 5.661,43 3.266,44 4.05,45 4.251,46 3.06,47 2.956,48 5.438,49 2.885,50 3.648,51 3.899,52 2.632,53 2.363,54 4.922,55 2.282,56 0.152,57 0.526,58 8.495,59 3.499,60 33.638,61 3.585,62 0.416,63 0.855,64 13.186,65 6.255,66 94.991,67 7.061,68 0.526,69 1.108,70 21.212,71 8.548,72 84.612,73 10.062,74 0.589,75 1.131,76 23.336,77 8.51,78 101.727,79 10.156,80 0.56,81 0.972,82 23.326,83 8.122,84 97.275,85 9.55,86 0.56,87 0.766,88 21.516,89 6.822,90 87.941,91 7.428,92 0.498,93 0.561,94 18.569,95 4.769,96 97.905,97 4.746,98 0.392,99 0.335,100 12.803,101 2.829,102 81.918,103 3.12,104 30,105 34,106 0.334,107 0.738,108 0.868,109 0.905,110 0.905,111 0.905,112 3.06,113 1.057,114 -1.96,115 -2.02,116 -2.01,118 38.2,120 1,121 2,124 1,128 2,131 3,132 1,133 2,142 1,147 1,148 1,149 1,151 1,153 1,154 8,156 1,159 2,160 3,162 3,163 1,164 10,165 1,169 5,172 1,173 1,174 7,176 7,177 2,178 2,180 6,185 6,187 5,188 4,190 2,192 6,196 5,199 4,200 2,202 1,204 6,207 2,208 1,209 4,211 1,212 2,214 2,217 4,222 2,228 2,231 2,235 1,240 1,241 2,244 1,245 3,246 1,249 1,253 404,254 12.834,255 12.834,256 12.834,257 12.834,258 12.834,259 11.443,260 17.424,261 7.165,262 13.044,263 10.851,264 10.851,265 10.851,266 10.851,267 10.851,268 8.646,269 23.663,270 3.365,271 11.208,272 3.277,273 1.08,274 0.375,275 0.176,276 0.176,277 0.176,278 3.728,281 1,282 1,283 292,284 3.464,285 32.054,286 74.456,288 57.175,289 63.576,291 1.255,292 36.173,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 45,304 139,305 4.814,306 4.662,307 7.128,308 4.313,309 3.363,310 4.673,311 2.375,312 11.835,313 3.244,314 4.417,315 3.811,316 6.875,317 4.165,318 3.21,319 3.881,320 0.68,321 11.39,322 2.981,323 3.885,324 3.358,325 6.142,326 3.588,327 2.596,328 3.125,329 0.458,330 8.807,331 2.564,332 3.57,333 2.555,334 5.576,335 3.298,336 2.315,337 2.735,339 7.138,340 2.269,341 3.101,342 2.264,343 4.635,344 2.602,345 1.617,346 2.312,348 4.78,349 1.586,350 2.88,351 1.68,352 4.523,353 2.537,354 1.538,355 1.967,357 4.16,358 1.528,359 2.703,360 1.574,361 3.834,362 2.19,363 1.191,364 1.605,365 2.81,366 1.183,367 2.137,368 1.068,369 3.483,370 1.822,371 0.825,372 1.01,373 2.059,374 0.822,375 1.774,376 0.94,377 3.363,378 1.58,379 0.606,380 0.681,382 1.63,383 0.586,384 1.099,385 0.547,386 2.901,387 0.752,388 -0.214,389 -0.255,391 -0.59,392 -0.203,393 1,394 0.295,395 2.617,396 0.305,397 -0.687,398 -0.845,400 -1.988,401 -0.68,402 0.665,403 -0.217,404 2.453,405 0.024,406 -0.972,407 -1.127,409 -2,410 -0.901,411 0.474,412 -0.437,413 2.143,415 -1,416 -1.272,418 -3,419 -0.983,420 0.333,421 -0.992,422 2,424 -1,425 -1.372,427 -3,428 -1,429 0.275,430 -1,431 2,432 -0.033,433 -1,434 -1.6,436 -3.048,437 -1,438 9.467,439 0.473,440 0.796,441 0.04,442 24.5,443 1.225,444 12,445 0.6,446 12.5,447 0.625,448 15.878,449 0.794,450 22.333,451 0.657,452 18.006,453 0.9,454 4.502,455 0.225,456 4.874,457 0.244,458 0.183,459 0.088,460 0.37,462 0.656,463 1.102,464 0.828,465 1.131,466 0.759,467 0.835,468 0.401,469 1.139,470 0.869,471 1.081,472 0.363,473 1.041,474 0.761,475 1.087,476 0.929,477 1.014,478 0.742,479 1.1,480 0.963,481 0.983,482 0.868,483 0.888,484 0.886,485 1.01,486 1.025,487 1.037,488 0.892,489 1.005,490 0.987,491 1.038,492 1.103,493 1.014,494 1.204,495 1.136,496 1.13,497 1.06,498 1.727,499 1.085,500 1.568,501 1.209,502 1.747,503 1.068,504 1.636,505 0.744,506 1.022,507 0.828,508 1.9,509 0.831,510 5.5,512 3.111,513 1.431,514 1.644,515 1.146,516 0.438,517 0.355,518 0.148,520 3169,521 11973,522 2.007,523 41.2,524 3,525 6,528 4,530 1,531 1.624,532 1.805,533 2.812,534 2.026,536 1,538 1,540 61.565,541 1.811,542 4.007,543 4.712,544 4.911,545 4.911,546 4.911,547 2.261,548 3.984,549 4.294,550 2.953,551 561.157,552 7.367,553 5465.98,554 1,555 1,558 172.974,559 1.776,560 4.203,561 0.25,563 0.092,564 0.042,565 0.051,566 0.044,567 0.023,568 0.03,569 0.03,571 0.561,572 0.5,573 1,574 1.048,575 85.751,576 -0.027,577 0.128,578 0.188,579 0.066,580 -0.164,581 0.139,582 0.285,583 -0.026,584 -0.053,585 -0.061,586 0.331,587 -0.081,588 -0.025,589 -0.086,590 -0.104,591 -0.075,592 -0.024,593 -0.116,594 -0.139,595 -0.02,596 -0.056,597 -0.017,598 -0.108,599 -0.041,600 -0.099,601 -0.133,602 0.036,603 -0.069,604 -0.09,605 -0.039,606 -0.042,607 -0.073,608 -0.036,609 -0.07,610 -0.072,611 -0.061,612 -0.394,613 -0.147,614 -0.311,615 -0.157,616 -0.338,617 -0.126,618 -0.274,619 0.086,620 0.142,621 0.078,622 -0.429,623 0.128,624 4.68,625 4.429,626 0.65,627 12.82,628 1.026,629 1.125,630 0.735,631 0.54,632 0.678,633 3.135,634 3.555,635 3.829,636 4.127,637 4.407,638 4.595,639 4.718,640 4.804,641 4.844,642 4.564,643 4.415,644 0.654,645 294.36,646 3.135,647 4.727,648 5.602,649 6.529,650 7.432,651 8.36,652 9.271,653 10.199,654 11.115,655 12.042,656 5.9,658 1,659 1,667 3,672 3,674 6,683 1,688 34,689 10,690 1,691 22,693 36,694 13,695 6,696 3,697 3,700 3,701 6,705 2,706 2,708 2,710 9,711 4,712 2,714 4,716 1,717 3,718 2,719 1,721 1,722 1,725 14,726 6,727 4,728 7,729 1,732 2,734 0.333,735 4,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,759 1,765 20,766 1,767 1,768 1,769 1,770 1,773 3,782 11.8,784 1,785 3,789 11.083,790 5.617,791 4.139,792 1.842,794 1.816,795 1.263,796 0.967,797 3.029,798 8.723,799 3.401,800 4.034,801 4.457,802 4.979,803 5.523,804 5.906,805 6.248,806 6.451,807 6.761,808 6.631,809 0.8,810 34,811 7.677,813 3.759,814 8.329,815 13.768,817 12.297,819 2.829,820 56.583,823 117.711,824 64.126,825 49.302,827 112.141,829 5.807,830 58.319,831 229.852,832 49.302,834 2.535,835 84.48,836 131.062,837 7.493,839 117.711,841 117.711,842 107.621,843 112.141,844 5.807,846 105.94,847 123.912,849 2.535,850 68.123,851 42.771,853 117.711,854 161.443,855 64.126,857 5.807,858 117.711,859 10.937,860 47.381,861 18.011,862 143.433,863 117.711,864 161.443,865 64.126,867 0.612,868 0.347,869 0.181,870 0.104,871 19,872 9,873 0.056,874 2,875 2,876 1.308,877 3.031,878 161.553,879 0.308,880 13,881 84.439,883 1,884 13.463,885 4.5,886 2.224,888 161.443,889 4.496,894 1.483,896 91.986,897 343.281,898 29,900 -3.763,901 34.184,902 3.874,903 -0.898,905 34.891,906 38.245,907 0.356,908 0.788,909 0.926,910 0.965,911 0.965,912 0.965,913 4.705,914 0.825,915 5.68,916 2.81,917 4.234,918 4.718,919 2.429,920 6.608,921 4.17,922 5.972,923 0.606,924 7.327,925 2.059,926 4.205,927 4.966,928 2.243,929 7.904,930 4.067,931 7.352,932 -0.214,933 9.084,934 1.63,935 6.004,936 7.027,937 3.71,938 10.945,939 5.85,940 8.768,941 -0.687,942 10.902,943 -0.59,944 6.723,945 8.051,946 4.173,947 12.97,948 6.487,949 10.217,950 -0.972,951 12.756,952 -1.988,953 8.106,954 9.727,955 5.293,956 15.611,957 7.848,958 11.689,959 -1,960 14.635,961 -2,962 9.112,963 11.05,964 5.987,965 17.898,966 8.78,967 13.178,968 -1,969 16.53,970 -3,971 10.362,972 12.618,973 6.966,974 20.414,975 9.999,976 3.363,977 -1,978 18.436,979 -3,980 11.48,981 14.059,982 7.754,983 22.802,984 11.054,985 3.21,986 11.835,987 20.351,988 -3.048,989 12.688,990 15.597,991 8.671,992 25.277,993 12.224,994 2.596,995 11.39,996 22.272,997 4.673,998 13.85,999 17.088,1000 9.5,1001 27.704,1002 13.334,1003 2.315,1004 8.807,1005 24.199,1006 3.881,1007 15.047,1008 18.619,1009 10.389,1010 30.166,1011 14.489,1012 1.617,1013 7.138,1014 26.13,1015 3.125,1016 16.228,1017 20.133,1018 11.238,1019 32.61,1020 15.624,1021 1.538,1022 4.78,1023 28.064,1024 2.735,1025 17.423,1026 21.664,1027 12.114,1028 35.068,1029 16.777,1030 1.191,1031 4.16,1032 30.001,1033 2.312,1034 18.613,1035 23.19,1036 12.971,1037 37.519,1038 17.924,1039 3216,1040 6322,1041 13.929,1042 23.046,1043 34.837,1044 36.074,1045 35.483,1046 34.599,1047 34.522,1048 43.979,1049 7.025,1050 109.217,1051 33.523,1052 5.763,1053 6.662,1054 6.599,1055 5.358,1056 5.363,1057 7.673,1058 3.987,1059 19.427,1060 5.244,1061 11.859,1062 1.583,1063 1.64,1064 1.613,1065 1.573,1066 1.569,1067 1.999,1068 0.319,1069 4.964,1070 1.524,1071 4.12,1072 4.127,1073 4.729,1074 4.091,1075 7.726,1076 4.038,1077 3.899,1078 3.887,1079 3.958,1080 3.839,1081 7.474,1082 3.773,1083 3.555,1084 3.576,1085 3.544,1086 3.463,1087 6.999,1088 3.414,1089 3.453,1090 3.457,1091 3.398,1092 3.229,1093 6.351,1094 3.258,1095 2.901,1096 2.965,1097 2.794,1098 2.792,1099 4.835,1100 2.774,1101 2.887,1102 2.934,1103 2.748,1104 2.576,1105 4.718,1106 2.614,1107 2.7,1108 2.79,1109 2.521,1110 2.518,1111 4.386,1112 2.508,1113 2.449,1114 2.576,1115 2.191,1116 2.218,1117 3.951,1118 2.196,1119 0.219,1120 0.212,1121 0.324,1122 0.196,1123 0.153,1124 4.814,1125 0.212,1126 4.662,1127 0.108,1128 7.128,1129 0.538,1130 4.313,1131 0.147,1132 3.363,1133 4.673,1134 2.375,1135 11.835,1136 3.244,1137 2.007,1138 2.004,1139 2.056,1140 2.086,1141 1.39,1142 2.105,1143 1.685,1144 1.685,1145 1.806,1146 1.834,1147 1.098,1148 1.862,1149 1.549,1150 1.517,1151 1.668,1152 1.68,1153 0.877,1154 1.715,1155 1.33,1156 1.326,1157 1.35,1158 1.525,1159 0.524,1160 1.535,1161 1.142,1162 1.113,1163 1.243,1164 1.412,1165 0.436,1166 1.394,1167 0.769,1168 0.716,1169 1.06,1170 1.096,1171 0.128,1172 1.066,1173 0.683,1174 0.612,1175 0.948,1176 0.931,1178 0.969,1179 0.375,1180 0.284,1181 0.731,1182 0.813,1184 0.819,1185 3.807,1186 5.198,1187 2.398,1188 6.779,1189 4.595,1190 8.45,1191 6.629,1192 10.174,1198 5.142,1199 9.289,1200 0.66,1201 2.971,1204 -0.854,1209 22.25,1210 61.565,1211 136.245,1212 160.219,1213 166.974,1214 166.974,1215 166.974,1216 46.838,1217 6.907,1218 109.49,1219 117.87,1220 17,1221 12.548,1222 3.459,1223 3,1224 29.751,1225 54,1226 43,1227 0.296,1228 139.358,1229 247.95,1230 331.794,1231 7481,1233 14.491,1234 0.725,1235 0.565,1236 14.741,1237 11.3,1238 9.376,1239 0.426,1240 0.352,1241 6.257,1242 8.271,1243 6.033,1244 4.93,1245 10.27,1246 7.751,1247 9.702,1248 0.285,1249 0.196,1250 11.089,1251 6.669,1252 7.429,1253 0.165,1254 0.108,1255 8.172,1256 4.84,1257 6.243,1258 0.102,1259 0.058,1260 6.746,1261 3.543,1262 5.175,1263 0.064,1264 0.031,1265 5.649,1266 2.543,1267 0.436,1268 68.012,1269 0.268,1270 19.141,1271 0.898,1272 112,1273 363.862,1274 157.023,1275 369.883,1276 482.95,1277 334,1278 135,1279 316.966,1280 184.874,1281 355.058,1282 515.72,1283 331,1284 4}
{0 CHEMBL14249,1 2.114,2 11.903,3 -4.451,4 19.811,5 96.653,6 10.792,7 0.303,8 4.044,9 4.111,10 4.221,11 3.445,12 5.302,13 3.465,14 4.629,15 4.678,16 4.486,17 3.845,18 6.544,19 3.829,20 4.779,21 4.9,22 4.547,23 3.909,24 6.169,25 3.91,26 4.932,27 5.042,28 4.517,29 3.935,30 6.856,31 3.924,32 4.841,33 5.001,34 4.361,35 3.88,36 6.216,37 3.832,38 4.791,39 4.913,40 4.346,41 3.779,42 6.639,43 3.782,44 4.74,45 4.882,46 4.151,47 3.714,48 6.346,49 3.656,50 4.584,51 4.733,52 4.101,53 3.597,54 6.154,55 3.546,56 1.015,57 0.639,58 12.512,59 5.855,60 128.92,61 2.824,62 2.017,63 0.959,64 21.344,65 10.493,66 220.401,67 5.79,68 2.274,69 1.033,70 28.033,71 10.543,72 265.14,73 7.063,74 2.834,75 1.04,76 33.663,77 11.95,78 375.263,79 8.54,80 2.436,81 0.96,82 33.395,83 10.846,84 285.491,85 8.179,86 2.412,87 0.861,88 31.689,89 10.106,90 330.316,91 7.935,92 2.262,93 0.796,94 27.741,95 9.389,96 280.18,97 6.859,98 1.879,99 0.695,100 27.574,101 8.411,102 259.483,103 6.321,104 108,105 52,106 0.362,107 0.711,108 0.823,109 0.894,110 0.923,111 0.923,112 3.472,113 1.131,114 -1.58,115 -1.65,116 -1.69,118 21.3,123 1,124 3,125 1,134 1,135 1,136 1,144 1,145 1,147 1,148 1,149 1,151 8,153 4,156 11,159 1,160 11,161 1,166 2,168 3,170 7,171 1,172 4,173 1,175 5,179 9,181 1,182 2,183 13,184 3,189 1,191 3,193 3,194 4,197 4,203 3,205 2,206 1,207 10,208 3,210 1,216 6,220 5,221 2,223 1,224 1,231 4,232 3,233 2,235 1,236 1,241 8,244 1,245 8,246 1,248 1,253 1597,254 19.033,255 19.033,256 19.033,257 19.033,258 19.033,259 17.282,260 13.425,261 10.487,262 19.53,263 16.255,264 16.255,265 16.255,266 16.255,267 16.255,268 13.456,269 15.015,270 4.962,271 17.167,272 3.44,273 1.405,274 0.756,275 0.34,276 0.17,277 0.17,278 4.136,283 768,284 5.099,285 168.882,286 92.668,288 140.072,291 1.848,292 80.21,295 0.25,296 0.5,297 0.5,298 0.5,299 0.5,300 0.33,301 0.5,302 0.44,303 76.5,304 369,305 4.68,306 3.591,307 7.058,308 4.437,309 3.439,310 4.581,311 1.041,312 12.198,313 3.433,314 4.641,315 3.445,316 6.924,317 4.222,318 3.298,319 4.038,321 11.609,322 3.105,323 4.392,324 3.158,325 6.594,326 4.109,327 3.116,328 3.731,330 10.554,331 3.039,332 4.143,333 3.104,334 6.525,335 3.936,336 2.995,337 3.391,339 10.111,340 2.808,341 4.07,342 2.754,343 6.092,344 3.732,345 2.734,346 3.323,348 8.974,349 2.725,350 3.66,351 2.587,352 5.891,353 3.313,354 2.387,355 2.918,357 7.929,358 2.202,359 3.058,360 2.241,361 5.236,362 2.826,363 1.9,364 2.324,365 5.87,366 1.75,367 3.029,368 1.969,369 4.787,370 2.483,371 1.591,372 2.11,373 4.714,374 1.415,375 2.731,376 1.549,377 4.144,378 2.444,379 1.542,380 1.76,382 3.671,383 1.386,384 2.413,385 1.365,386 4.069,387 1.945,388 1.04,389 1.386,391 2.926,392 0.937,393 2.101,394 1.232,395 3.791,396 1.667,397 0.773,398 0.995,400 1.835,401 0.689,402 1.756,403 0.883,404 3.353,405 1.565,406 0.706,407 0.727,409 1.746,410 0.601,411 1.099,412 0.58,413 3.3,414 0.863,415 -0.021,416 -0.022,418 -0.052,419 -0.018,420 1,421 -0.149,422 2.992,423 0.765,424 -0.199,425 -0.209,427 -0.679,428 -0.196,429 1,430 -0.188,431 2.73,432 0.587,433 -0.319,434 -0.403,436 -0.769,437 -0.288,438 14.333,439 0.462,440 1.481,441 0.048,442 36.25,443 1.169,444 13,445 0.419,446 23.25,447 0.75,448 28.796,449 0.929,450 37.867,451 0.806,452 35.756,453 1.153,454 6.88,455 0.222,456 7.311,457 0.236,458 0.237,459 0.209,460 0.272,462 1.409,463 1.953,464 0.809,465 1.968,466 1.208,467 0.994,468 0.494,469 0.92,470 0.696,471 0.67,472 0.459,473 0.856,474 1.162,475 1.337,476 0.91,477 1.281,478 0.994,479 1.106,480 0.675,481 0.848,482 0.896,483 0.763,484 0.609,485 1.004,486 1.107,487 0.972,488 0.99,489 0.981,490 1.06,491 1.041,492 0.795,493 1.035,494 1.018,495 1.049,496 0.73,497 1.074,498 1.071,499 0.81,500 1.116,501 0.796,502 1.097,503 1.07,504 1.138,505 1.203,506 1.152,507 1.193,508 1.146,509 1.155,510 11,511 0.333,512 4.444,513 4.299,514 1.833,515 1.42,516 0.981,517 0.585,518 0.511,519 0.375,520 12049,521 61402,522 1.899,523 34,525 5,526 1,527 2,528 8,531 1.736,532 1.683,533 3.498,534 5.404,540 99.376,541 2.114,542 4.15,543 4.799,544 5.214,545 5.384,546 5.384,547 2.922,548 4.543,549 4.928,550 3.735,551 1736.98,552 8.602,553 24867.1,558 261.066,559 1.883,560 4.801,561 0.333,562 0.012,563 0.085,564 0.09,565 0.035,566 0.036,567 0.022,568 0.017,569 0.016,570 0.013,571 0.66,572 0.17,573 0.63,574 1.805,575 161.519,576 -0.562,577 -0.488,578 0.265,579 -0.406,580 -0.422,581 0.048,582 0.486,583 0.228,584 0.048,585 0.227,586 0.39,587 -0.008,588 -0.256,589 -0.224,590 0.058,591 -0.202,592 -0.193,593 -0.091,594 0.318,595 0.105,596 -0.032,597 0.061,598 0.364,599 -0.08,600 -0.188,601 -0.008,603 -0.04,604 -0.202,605 0.001,606 0.194,607 -0.076,608 -0.062,609 -0.109,610 0.257,611 -0.081,612 -0.075,613 0.083,614 -0.17,615 0.064,616 -0.132,617 -0.101,618 -0.171,619 -0.246,620 -0.088,621 -0.139,622 -0.146,623 -0.106,624 6.506,625 4.783,626 0.452,627 30.179,628 1.082,629 1.155,630 0.351,631 0.123,632 0.666,633 3.526,634 3.97,635 4.127,636 4.454,637 4.5,638 4.673,639 4.762,640 4.905,641 4.927,642 4.956,643 7.219,644 0.657,645 507.22,646 3.526,647 5.142,648 5.984,649 6.925,650 7.784,651 8.725,652 9.593,653 10.533,654 11.408,655 12.346,656 10.6,658 1,661 1,663 3,666 2,667 2,668 3,672 1,673 1,674 10,682 1,688 47,689 13,691 33,693 49,694 10,695 5,700 3,701 4,705 3,708 3,710 5,711 5,714 3,717 3,720 3,725 16,726 17,727 8,728 21,729 3,731 1,732 5,734 0.667,735 13,737 2,739 1,740 3,741 3,742 1,743 2,744 1,746 1,755 6,756 1,757 2,765 31,766 1,768 6,769 1,771 4,773 4,782 27.7,783 6,785 3,786 4,789 18.417,790 7.35,791 6.319,792 1.996,793 3,794 2.133,795 1.284,796 0.877,797 6.948,798 9.654,799 3.738,800 4.385,801 4.761,802 5.374,803 5.704,804 6.066,805 6.399,806 6.751,807 6.717,808 6.866,809 0.875,810 48,811 13.669,813 3.422,814 8.863,815 20.022,817 16.901,819 3.363,820 104.25,823 117.019,824 28.017,825 85.153,827 318.292,829 22.85,830 28.017,831 412.461,832 85.153,834 4.592,835 266.791,836 191.481,837 12.662,838 14.099,839 58.856,841 94.169,842 113.17,843 318.292,844 22.85,846 94.169,847 60.79,848 257.502,849 27.588,850 35.225,851 73.207,853 94.169,854 403.445,855 28.017,856 22.85,857 22.85,858 94.169,859 10.78,860 19.136,862 401.546,863 94.169,864 403.445,865 50.867,867 0.618,868 0.321,869 0.176,870 0.078,871 26,872 14,873 0.163,874 8,875 1,876 1.143,877 3.948,878 279.058,879 0.143,880 14,881 151.58,884 24.639,885 8.741,886 5.873,887 0.335,888 401.546,889 2.321,890 11.667,894 0.043,895 1.214,896 266.791,897 548.481,898 41,901 33.738,904 -16.678,905 50.873,906 54.291,907 0.381,908 0.747,909 0.864,910 0.939,911 0.969,912 0.969,913 5.072,914 1.591,915 6.111,916 5.87,917 4.654,918 5.072,919 1.153,920 7.048,921 4.553,922 6.368,923 1.542,924 7.767,925 4.714,926 4.796,927 5.387,929 8.46,930 4.711,931 7.768,932 1.04,933 9.528,934 3.671,935 6.494,936 7.371,937 1.208,938 11.42,939 6.337,940 9.195,941 0.773,942 11.344,943 2.926,944 7.3,945 8.361,947 13.479,948 7.156,949 10.646,950 0.706,951 13.192,952 1.835,953 8.636,954 9.996,955 1.265,956 16.089,957 8.442,958 12.112,959 -0.021,960 15.06,961 1.746,962 9.679,963 11.25,965 18.381,966 9.485,967 13.589,968 -0.199,969 16.94,970 -0.052,971 10.909,972 12.78,973 1.324,974 20.886,975 10.683,976 3.439,977 -0.319,978 18.829,979 -0.679,980 12.041,981 14.153,983 23.273,984 11.808,985 3.298,986 12.198,987 20.725,988 -0.769,989 13.241,990 15.651,991 1.383,992 25.746,993 12.987,994 3.116,995 11.609,996 22.627,997 4.581,998 14.409,999 17.085,1001 28.176,1002 14.147,1003 2.995,1004 10.554,1005 24.533,1006 4.038,1007 15.604,1008 18.577,1009 1.444,1010 30.643,1011 15.328,1012 2.734,1013 10.111,1014 26.443,1015 3.731,1016 16.79,1017 20.043,1019 33.094,1020 16.506,1021 2.387,1022 8.974,1023 28.356,1024 3.391,1025 17.986,1026 21.537,1027 1.506,1028 35.562,1029 17.694,1030 1.9,1031 7.929,1032 30.272,1033 3.323,1034 19.181,1035 23.023,1037 38.026,1038 18.884,1039 12042,1040 27429,1041 19.879,1042 31.312,1043 51.529,1044 52.896,1045 53.588,1046 50.813,1047 51.042,1048 62.568,1049 2.082,1050 164.274,1051 48.18,1052 5.664,1053 5.591,1054 6.587,1055 5.553,1056 5.439,1057 7.581,1058 2.082,1059 19.908,1060 5.361,1061 23.085,1062 1.561,1063 1.603,1064 1.624,1065 1.54,1066 1.547,1067 1.896,1068 0.063,1069 4.978,1070 1.46,1071 4.105,1072 4.155,1073 4.655,1074 4.016,1075 7.486,1076 3.943,1077 3.838,1078 3.842,1079 4.384,1080 3.898,1081 7.445,1082 3.661,1083 3.756,1084 3.728,1085 4.085,1086 3.76,1087 7.41,1088 3.576,1089 3.552,1090 3.523,1091 4.064,1092 3.588,1093 6.495,1094 3.351,1095 3.341,1096 3.407,1097 3.707,1098 3.436,1099 6.437,1100 3.122,1101 3.252,1102 3.242,1103 3.264,1104 3.08,1105 6.4,1106 3.03,1107 3.056,1108 3.105,1109 2.966,1110 2.857,1111 6.351,1112 2.83,1113 2.989,1114 3.078,1115 2.878,1116 2.679,1117 6.34,1118 2.714,1119 0.142,1120 0.109,1121 0.214,1122 0.134,1123 0.104,1124 4.68,1125 0.139,1126 3.591,1127 0.032,1128 7.058,1129 0.37,1130 4.437,1131 0.104,1132 3.439,1133 4.581,1134 1.041,1135 12.198,1136 3.433,1137 1.797,1138 1.751,1139 1.849,1140 2.008,1141 1.171,1142 1.965,1143 1.624,1144 1.619,1145 1.776,1146 1.824,1147 0.996,1148 1.83,1149 1.546,1150 1.54,1151 1.65,1152 1.785,1153 0.755,1154 1.766,1155 1.481,1156 1.462,1157 1.349,1158 1.563,1159 0.524,1160 1.702,1161 1.284,1162 1.303,1163 1.148,1164 1.46,1165 0.421,1166 1.521,1167 1.115,1168 1.079,1169 1.079,1170 1.34,1171 0.217,1172 1.385,1173 0.972,1174 0.983,1175 0.958,1176 1.225,1177 0.12,1178 1.242,1179 0.809,1180 0.738,1181 0.916,1182 1.171,1184 1.209,1185 4.205,1186 5.617,1187 3.045,1188 7.177,1189 5.476,1190 8.807,1191 7.627,1192 10.478,1198 5.667,1199 55.982,1200 -0.956,1202 16.929,1204 -6.012,1209 30.858,1210 99.376,1211 195.027,1212 225.556,1213 245.066,1214 253.066,1215 253.066,1216 110.384,1217 7.521,1218 279.13,1219 308.56,1220 16,1221 12.854,1222 3.807,1223 3.17,1224 58.378,1225 135,1226 116,1227 0.212,1228 200.514,1229 340.88,1230 481.013,1231 18337,1233 23.19,1234 0.748,1235 0.568,1236 23.94,1237 17.603,1238 14.191,1239 0.43,1240 0.377,1241 7.989,1242 11.066,1243 7.643,1244 6.184,1245 16.825,1246 12.441,1247 15.636,1248 0.301,1249 0.201,1250 19.648,1251 10.436,1252 10.392,1253 0.17,1254 0.125,1255 13.26,1256 7.619,1257 9.688,1258 0.114,1259 0.067,1260 13.649,1261 5.654,1262 5.925,1263 0.067,1264 0.036,1265 7.481,1266 3.161,1267 0.336,1268 118.778,1269 0.224,1270 29.087,1271 0.575,1272 170,1273 801.777,1274 319.866,1275 763.136,1276 988.32,1277 692,1278 198,1279 611.664,1280 381.103,1281 700.101,1282 1052.04,1283 650,1284 4.762}
{0 CHEMBL1427609,1 1.823,2 13.233,3 5.088,4 25.884,5 125.391,6 10.241,7 0.765,8 3.937,9 4.022,10 3.892,11 3.652,12 5.138,13 3.593,14 4.391,15 4.497,16 4.275,17 4.014,18 5.589,19 3.937,20 4.521,21 4.675,22 4.261,23 4.03,24 5.65,25 3.93,26 4.502,27 4.671,28 4.238,29 4.014,30 5.66,31 3.879,32 4.476,33 4.636,34 4.211,35 3.951,36 5.688,37 3.841,38 4.376,39 4.524,40 4.064,41 3.858,42 5.578,43 3.721,44 4.23,45 4.396,46 3.86,47 3.617,48 5.488,49 3.545,50 4.195,51 4.359,52 3.794,53 3.568,54 5.467,55 3.492,56 0.092,57 0.707,58 4.6,59 3.458,60 6.608,61 3.364,62 0.272,63 1.19,64 13.092,65 6.433,66 14.636,67 6.16,68 0.3,69 1.26,70 16.142,71 7.859,72 28.914,73 7.534,74 0.341,75 1.284,76 22.995,77 9.085,78 31.677,79 8.037,80 0.424,81 1.311,82 20.969,83 8.241,84 28.699,85 6.639,86 0.321,87 1.185,88 24.494,89 8.594,90 24.709,91 6.142,92 0.298,93 0.988,94 14.549,95 6.026,96 21.299,97 5.254,98 0.279,99 0.909,100 13.548,101 5.846,102 31.047,103 5.26,104 2,105 47,106 0.306,107 0.622,108 0.693,109 0.766,110 0.818,111 0.841,112 3.44,113 1.025,114 -5.52,115 -5.39,116 -5.03,118 45.5,123 1,131 10,132 2,137 1,138 1,139 1,142 1,145 1,146 2,150 1,154 12,156 3,157 6,160 3,164 12,169 8,174 1,176 7,179 2,180 8,185 1,187 4,191 2,192 10,194 2,196 2,199 4,203 1,204 6,207 1,209 2,212 3,216 4,217 6,222 3,225 2,229 2,230 4,234 2,237 2,242 9,247 2,250 2,253 1468,254 20.93,255 20.93,256 20.93,257 20.93,258 20.93,259 17.785,260 8.93,261 12.573,262 21.706,263 16.846,264 16.846,265 16.846,266 16.846,267 16.846,268 12.148,269 11.03,270 6.023,271 18.15,272 3.637,273 1.756,274 1.335,275 0.898,276 0.591,277 0.455,278 4.153,281 1,282 1,283 894,284 3.162,285 231.874,286 197.361,287 118.94,291 1.916,292 21.797,295 0.75,296 0.83,297 1,298 0.4,300 0.83,301 1,302 0.69,303 64,304 397,305 4.694,306 4.484,307 6.917,308 4.163,309 3.258,310 4.663,311 3.359,312 11.647,313 2.973,314 4.298,315 3.608,316 6.183,317 3.857,318 2.927,319 3.957,320 1.737,321 9.234,322 2.728,323 3.963,324 3.114,325 5.885,326 3.534,327 2.581,328 3.538,329 0.146,330 8.149,331 2.436,332 3.833,333 2.919,334 5.452,335 3.461,336 2.497,337 3.289,339 7.249,340 2.392,341 3.547,342 2.602,343 5.141,344 3.092,345 2.151,346 2.829,348 6.083,349 2.024,350 3.359,351 2.388,352 4.824,353 2.813,354 1.941,355 2.669,357 5.443,358 1.726,359 3.209,360 2.287,361 4.558,362 2.676,363 1.734,364 2.538,365 4.471,366 1.582,367 3.072,368 1.737,369 4.282,370 2.599,371 1.644,372 2.282,373 4.052,374 1.525,375 2.685,376 1.73,377 3.876,378 2.168,379 1.195,380 1.774,382 2.849,383 1.159,384 2.539,385 1.196,386 3.502,387 2.007,388 1.087,389 1.553,391 2.615,392 1,393 2.5,394 1.145,395 3.484,396 2,397 1,398 1.5,400 2.385,401 1,402 2.5,403 1.059,404 3.272,405 2,406 1,407 1.5,409 2.136,410 0.981,411 2.383,412 1,413 3.247,414 1.77,415 0.919,416 1.327,418 2.136,419 0.767,420 2.17,421 1,422 3.247,423 1.631,424 0.709,425 1.009,427 1.72,428 0.644,429 2.063,430 0.757,431 3.247,432 1.564,433 0.668,434 0.914,436 1.627,437 0.587,438 15.233,439 0.508,440 0.568,441 0.019,442 44.25,443 1.475,444 24.5,445 0.817,446 19.75,447 0.658,448 22.652,449 0.755,450 29.167,451 0.663,452 29.417,453 0.981,454 8.343,455 0.278,456 6.433,457 0.214,458 0.022,460 0.289,462 0.699,463 1.058,464 0.661,465 0.776,466 0.573,467 0.726,468 0.46,469 1.102,470 0.929,471 1.121,472 0.584,473 0.974,474 1.047,475 1.1,476 0.791,477 0.928,478 1.239,479 0.932,480 0.95,481 1.017,482 1.012,483 0.935,484 0.718,485 0.918,486 1.111,487 1.017,488 1.215,489 1.105,490 1.036,491 0.959,492 1.389,493 1.194,494 1.542,495 1.35,496 1.155,497 1.19,498 1.245,499 0.977,500 0.995,501 1.057,502 1.412,503 1.012,504 1.546,505 1.087,506 0.932,507 0.997,508 1.996,509 1.004,510 4.5,511 0.103,512 2.889,513 1.694,514 1.167,515 0.776,516 0.468,517 0.308,518 0.198,519 0.155,520 14179,521 43073,522 2.207,523 31.8,525 12,526 1,528 1,531 1.724,532 2.143,533 3.676,534 -0.25,540 80.209,541 1.823,542 3.703,543 4.125,544 4.561,545 4.869,546 5.005,547 3.095,548 4.44,549 4.881,550 3.846,551 1672.95,552 8.485,553 24175.1,555 1,558 240.215,559 1.075,560 4.87,561 0.132,562 0.004,563 0.061,564 0.039,565 0.028,566 0.019,567 0.014,568 0.01,569 0.007,570 0.006,571 0.322,572 0.17,573 0.75,574 0.327,575 156.86,576 0.016,577 -0.071,578 0.055,579 0.014,580 -0.042,581 0.019,582 0.359,583 -0.085,584 -0.028,585 -0.204,586 0.054,587 -0.151,588 -0.043,589 -0.15,590 0.127,591 0.009,592 -0.144,593 0.02,594 0.023,595 0.009,596 0.066,597 0.11,598 0.135,599 0.069,600 0.046,601 0.083,602 -0.092,603 -0.037,604 0.039,605 -0.024,606 -0.218,607 -0.082,608 -0.315,609 -0.204,610 -0.033,611 -0.252,612 0.058,613 0.057,614 -0.063,615 -0.124,616 0.045,617 -0.095,618 -0.102,619 -0.117,620 -0.018,621 -0.065,622 -0.097,623 -0.06,624 1.856,625 5.421,626 0.833,627 30.32,628 1.016,629 1.105,630 4.287,631 18.377,632 0.784,633 3.555,634 3.871,635 4.174,636 4.477,637 4.625,638 4.7,639 4.836,640 4.868,641 4.927,642 4.97,643 7.675,644 0.739,645 450.61,646 3.555,647 5.094,648 5.953,649 6.834,650 7.711,651 8.6,652 9.485,653 10.378,654 11.269,655 12.165,656 13.6,660 1,661 1,663 4,666 1,667 11,668 4,671 2,672 6,674 26,688 44,689 27,690 2,691 34,693 48,694 20,695 18,696 2,697 10,700 5,701 6,710 19,711 1,714 1,717 1,719 1,725 14,726 6,727 1,728 10,729 3,732 6,734 0.8,735 1,743 3,744 2,745 1,750 1,757 4,758 1,759 3,765 30,769 1,770 1,772 1,777 1,779 1,782 2.3,785 1,789 14,790 8.083,791 6.556,792 2.459,794 4.705,795 1.582,796 1.048,797 5.667,798 12.784,799 3.892,800 4.525,801 5.164,802 5.814,803 6.247,804 6.578,805 7.024,806 7.282,807 7.609,808 7.847,809 0.889,810 43,811 11.037,813 4.741,814 7.694,815 21.034,817 17.324,819 2.194,820 65.833,822 1,823 153.024,824 215.215,825 84.385,827 25.145,829 94.549,830 120.666,831 178.169,832 84.385,834 18.91,835 102.412,836 95.867,837 8.351,838 16.427,839 235.802,841 153.024,842 205.05,843 25.145,844 94.549,846 153.024,847 25.145,849 23.719,850 116.244,851 65.088,852 94.549,853 153.024,854 109.53,855 215.215,858 153.024,859 112.803,860 103.698,861 18.011,862 90.232,863 153.024,864 109.53,865 215.215,867 0.575,868 0.338,869 0.194,870 0.101,871 24,872 9,873 0.125,874 6,875 1,876 1.08,877 4.375,878 267.958,879 0.08,880 25,881 139.207,882 3,884 19.493,885 8.722,886 4.224,887 0.797,888 108.243,889 21.862,890 17.087,893 2.779,894 4.824,896 18.011,897 477.769,898 48,901 12.421,903 -0.189,905 44.702,906 48.62,907 0.334,908 0.678,909 0.756,910 0.836,911 0.892,912 0.917,913 5.103,914 1.644,915 5.916,916 4.471,917 4.554,918 5.212,919 3.349,920 6.723,921 4.409,922 6.311,923 1.195,924 7.461,925 4.052,926 4.007,927 4.902,928 1.593,929 7.612,930 3.789,931 7.613,932 1.087,933 9.11,934 2.849,935 6.129,936 7.452,937 5.572,938 10.755,939 5.84,940 8.958,941 1,942 10.826,943 2.615,944 6.494,945 8.091,946 3.522,947 12.572,948 6.105,949 10.339,950 1,951 12.587,952 2.385,953 8.016,954 10.02,955 7.946,956 15.214,957 7.571,958 11.748,959 0.919,960 14.38,961 2.136,962 8.8,963 11.116,964 5.91,965 17.403,966 8.243,967 13.179,968 0.709,969 16.198,970 2.136,971 10.089,972 12.796,973 10.351,974 19.898,975 9.471,976 3.258,977 0.668,978 18.035,979 1.72,980 11.072,981 14.117,982 8.482,983 22.238,984 10.34,985 2.927,986 11.647,987 19.886,988 1.627,989 12.27,990 15.697,991 12.763,992 24.693,993 11.468,994 2.581,995 9.234,996 21.75,997 4.663,998 13.347,999 17.127,1000 11.074,1001 27.096,1002 12.435,1003 2.497,1004 8.149,1005 23.624,1006 3.957,1007 14.515,1008 18.67,1009 15.176,1010 29.542,1011 13.522,1012 2.151,1013 7.249,1014 25.505,1015 3.538,1016 15.636,1017 20.152,1018 13.65,1019 31.971,1020 14.538,1021 1.941,1022 6.083,1023 27.394,1024 3.289,1025 16.796,1026 21.684,1027 17.59,1028 34.418,1029 15.61,1030 1.734,1031 5.443,1032 29.289,1033 2.829,1034 17.939,1035 23.192,1036 16.206,1037 36.86,1038 16.652,1039 12910,1040 22754,1041 23.75,1042 34.477,1043 51.631,1044 54.531,1045 51.754,1046 51.071,1047 51.154,1048 71.362,1049 10.487,1050 144.907,1051 47.488,1052 5.599,1053 6.484,1054 6.719,1055 5.329,1056 5.258,1057 7.663,1058 6.685,1059 18.872,1060 4.973,1061 6.949,1062 1.519,1063 1.604,1064 1.522,1065 1.502,1066 1.505,1067 2.099,1068 0.308,1069 4.262,1070 1.397,1071 4.12,1072 4.154,1073 4.383,1074 4.045,1075 7.429,1076 4.015,1077 3.953,1078 3.981,1079 4.218,1080 3.905,1081 5.137,1082 3.881,1083 3.809,1084 3.845,1085 3.839,1086 3.742,1087 4.985,1088 3.721,1089 3.698,1090 3.741,1091 3.77,1092 3.574,1093 4.74,1094 3.546,1095 3.448,1096 3.466,1097 3.725,1098 3.401,1099 4.681,1100 3.32,1101 3.103,1102 3.147,1103 3.329,1104 2.974,1105 4.193,1106 2.961,1107 2.854,1108 2.925,1109 2.935,1110 2.782,1111 3.84,1112 2.735,1113 2.854,1114 2.925,1115 2.875,1116 2.735,1117 3.674,1118 2.715,1119 0.138,1120 0.132,1121 0.203,1122 0.122,1123 0.096,1124 4.694,1125 0.137,1126 4.484,1127 0.099,1128 6.917,1129 0.343,1130 4.163,1131 0.087,1132 3.258,1133 4.663,1134 3.359,1135 11.647,1136 2.973,1137 1.92,1138 1.893,1139 2.026,1140 2.002,1141 1.123,1142 2.011,1143 1.899,1144 1.874,1145 2.009,1146 1.97,1147 1.087,1148 1.988,1149 1.564,1150 1.536,1151 1.624,1152 1.773,1153 0.878,1154 1.753,1155 1.425,1156 1.376,1157 1.505,1158 1.655,1159 0.657,1160 1.617,1161 1.341,1162 1.349,1163 1.264,1164 1.443,1165 0.537,1166 1.452,1167 1.187,1168 1.169,1169 1.181,1170 1.352,1171 0.38,1172 1.354,1173 1.099,1174 1.064,1175 1.181,1176 1.192,1177 0.218,1178 1.244,1179 0.897,1180 0.843,1181 1.159,1182 1.132,1183 0.218,1184 1.125,1185 4.234,1186 5.549,1187 3.434,1188 7.047,1189 5.778,1190 8.629,1191 7.854,1192 10.263,1200 0.185,1201 2.756,1203 1.332,1209 32.512,1210 80.209,1211 162.942,1212 181.486,1213 200.705,1214 214.215,1215 220.215,1216 39.012,1217 8.079,1218 85.07,1219 166.85,1220 27,1221 12.691,1222 4.807,1223 3.907,1224 41.871,1225 141,1226 132,1227 0.143,1228 208.676,1229 336.9,1230 500.93,1231 43602,1233 20.338,1234 0.678,1235 0.596,1236 21.399,1237 17.877,1238 14.776,1239 0.435,1240 0.342,1241 9.097,1242 13.005,1243 8.688,1244 7.194,1245 16.138,1246 11.615,1247 13.07,1248 0.278,1249 0.186,1250 14.722,1251 8.744,1252 11.282,1253 0.176,1254 0.105,1255 13.431,1256 6.73,1257 9.829,1258 0.113,1259 0.059,1260 12.156,1261 5.131,1262 7.519,1263 0.074,1264 0.035,1265 9.765,1266 3.516,1267 0.231,1268 105.536,1269 0.205,1270 28.852,1271 0.374,1272 162,1273 496.875,1274 246.471,1275 550.353,1276 761.49,1277 516,1278 192,1279 530.875,1280 270.504,1281 580.964,1282 851.8,1283 545,1284 4}
{0 CHEMBL1447034,1 1.412,2 5.889,3 3.051,4 9.31,5 73.085,6 6.952,7 0.3,8 3.649,9 3.764,10 3.156,11 3.23,12 4.71,13 3.19,14 4.215,15 4.38,16 3.575,17 3.687,18 5.288,19 3.619,20 4.528,21 4.719,22 3.688,23 3.878,24 5.515,25 3.781,26 4.67,27 4.892,28 3.641,29 3.888,30 5.654,31 3.777,32 4.654,33 4.911,34 3.423,35 3.721,36 5.685,37 3.587,38 4.346,39 4.611,40 3.027,41 3.388,42 5.357,43 3.226,44 4.089,45 4.362,46 2.453,47 2.949,48 5.181,49 2.755,50 3.643,51 3.983,52 1.084,53 2.233,54 4.527,55 1.905,56 0.036,57 0.477,58 7.756,59 3.527,60 7.501,61 4.617,62 0.154,63 0.819,64 14.318,65 6.219,66 34.668,67 8.496,68 0.22,69 1.086,70 20.278,71 8.211,72 33.362,73 11.351,74 0.213,75 1.206,76 24.206,77 8.857,78 37.557,79 12.382,80 0.266,81 1.082,82 24.852,83 8.79,84 48.946,85 12.183,86 0.158,87 0.769,88 18.189,89 6.83,90 35.834,91 9.429,92 0.206,93 0.551,94 14.638,95 4.898,96 44.278,97 6.643,98 0.198,99 0.318,100 9.925,101 2.945,102 36.333,103 4.166,104 18,105 30,106 0.262,107 0.65,108 0.816,109 0.848,110 0.89,111 0.89,112 2.964,113 0.953,114 -3.93,115 -3.89,116 -3.69,118 42.9,119 2,120 1,121 2,124 1,128 2,131 2,132 3,133 1,142 1,151 1,153 1,154 12,160 1,162 3,163 1,164 15,165 1,169 1,172 1,173 1,174 6,176 12,177 2,180 2,185 6,187 10,188 4,192 4,196 4,199 9,200 3,204 3,209 3,212 6,213 2,217 2,222 2,225 2,253 264,254 11.914,255 11.914,256 11.914,257 11.914,258 11.914,259 10.692,260 15.964,261 6.705,262 11.964,263 9.818,264 9.818,265 9.818,266 9.818,267 9.818,268 8.02,269 21.892,270 3.114,271 9.912,272 3.717,273 1.623,274 0.729,275 0.557,276 0.329,277 0.329,278 3.633,280 1,281 1,282 1,283 227,284 2.55,285 26.398,286 63.098,288 47.179,289 53.937,291 0.815,292 18.35,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 38.5,304 106,305 4.554,306 3.817,307 6.959,308 4.305,309 3.317,310 4.184,311 2.375,312 11.776,313 3.277,314 4.076,315 3.422,316 6.406,317 3.84,318 2.844,319 3.301,320 0.68,321 9.639,322 2.829,323 3.708,324 2.974,325 5.92,326 3.454,327 2.461,328 2.929,329 0.458,330 8.003,331 2.432,332 3.343,333 2.298,334 5.326,335 3.024,336 2.036,337 2.534,339 6.211,340 2.009,341 3.047,342 2.243,343 4.639,344 2.662,345 1.669,346 2.217,348 4.448,349 1.65,350 2.714,351 1.705,352 4.05,353 2.257,354 1.26,355 1.624,357 3.129,358 1.244,359 2.253,360 1.336,361 3.505,362 1.973,363 0.978,364 1.152,365 2.285,366 0.972,367 1.821,368 1.028,369 3.457,370 1.653,371 0.676,372 0.744,373 1.801,374 0.657,375 1.394,376 0.691,377 2.919,378 1.183,379 0.188,380 0.215,382 0.432,383 0.187,384 1.076,385 0.432,386 2.749,387 0.785,388 -0.201,389 -0.237,391 -0.547,392 -0.197,393 0.464,394 0.108,395 2.438,396 0.117,397 -0.865,398 -0.981,400 -2,401 -0.841,402 0.328,403 -0.528,404 2.068,406 -1,407 -1.257,409 -2.419,410 -0.965,411 0.122,412 -0.718,413 1.768,414 -0.115,415 -1.1,416 -1.381,418 -2.866,419 -1.103,420 -0.155,421 -1.066,422 1.51,423 -0.407,424 -1.406,425 -1.623,427 -3.88,428 -1.404,429 -0.195,430 -1.198,431 1.497,432 -0.469,433 -1.462,434 -1.793,436 -4.27,437 -1.465,438 8.567,439 0.476,440 0.58,441 0.032,442 20,443 1.111,444 9,445 0.5,446 11,447 0.611,448 15.975,449 0.887,450 19.633,451 0.561,452 12.758,453 0.709,454 3.78,455 0.21,456 4.813,457 0.267,458 0.195,460 0.467,462 0.794,463 1.068,464 0.863,465 0.978,466 0.722,467 0.933,468 0.396,469 1.09,470 0.789,471 0.995,472 0.349,473 0.952,474 0.653,475 1.186,476 0.998,477 1.121,478 0.699,479 1.112,480 1.02,481 1.134,482 1.11,483 1.103,484 0.929,485 1.105,486 1.188,487 0.911,488 1.024,489 0.972,490 1.149,491 0.969,492 0.999,493 1.01,494 0.974,495 1.082,496 1.051,497 1.04,498 1.66,499 0.985,500 1.234,501 1.062,502 1.754,503 1.096,504 1.85,505 0.542,506 1.169,507 0.606,508 2.001,509 0.779,510 3.5,512 2.889,513 1.368,514 1.595,515 0.91,516 0.366,517 0.096,520 2315,521 5705,522 2.053,523 48.6,524 9,525 5,528 2,530 1,531 1.597,532 1.862,533 2.612,534 0.32,536 1,538 1,540 49.435,541 1.412,542 3.506,543 4.4,544 4.572,545 4.8,546 4.8,547 1.891,548 3.614,549 4.146,550 2.673,551 408.933,552 7.085,553 3740.83,554 1,555 1,557 1,558 179.525,559 1.53,560 4.071,561 0.175,563 0.096,564 0.043,565 0.055,566 0.041,567 0.026,568 0.016,571 0.453,572 1,573 1,574 0.946,575 72.994,576 -0.08,577 0.09,578 0.02,579 0.109,580 -0.079,581 0.084,582 0.213,583 0.006,584 0.104,585 0.059,586 0.208,587 0.065,588 0.092,589 -0.123,590 -0.078,591 -0.109,592 -0.002,593 -0.123,594 -0.106,595 -0.096,596 -0.153,597 -0.142,598 -0.103,599 -0.148,600 -0.083,601 0.026,602 -0.025,603 -0.03,604 -0.032,605 -0.015,606 -0.003,607 -0.13,608 0.011,609 -0.118,610 0.028,611 -0.062,612 -0.182,613 -0.152,614 -0.184,615 -0.146,616 -0.138,617 -0.166,618 -0.281,619 0.207,620 -0.069,621 0.252,622 -0.306,623 0.135,624 2.416,625 4.413,626 0.722,627 9.148,628 0.995,629 1.121,630 2.704,631 7.314,632 0.657,633 3.045,634 3.434,635 3.784,636 4.094,637 4.357,638 4.522,639 4.605,640 4.605,641 4.543,642 4.277,643 3.826,644 0.619,645 243.33,646 3.045,647 4.615,648 5.509,649 6.428,650 7.345,651 8.27,652 9.193,653 10.119,654 11.044,655 11.971,656 2.9,659 1,667 2,672 4,674 6,683 1,688 35,689 8,690 1,691 20,693 37,694 15,695 6,696 4,697 2,700 3,701 6,704 2,705 2,706 2,708 2,710 9,711 6,712 2,714 2,717 1,718 2,719 1,722 1,725 17,726 3,727 2,728 3,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 2,765 18,768 1,769 1,770 1,773 3,782 5.7,784 1,785 1,789 9.667,790 6.7,791 3.861,792 2.147,794 1.672,795 1.249,796 0.945,797 2.614,798 8.383,799 3.258,800 3.839,801 4.366,802 4.893,803 5.397,804 5.701,805 5.957,806 6.193,807 6.39,808 6.336,809 0.75,810 32,811 6.706,813 2.978,814 7.796,815 12.949,817 11.376,819 2.296,820 41.333,821 0.002,823 176.567,824 71.313,825 18.011,827 67.828,830 71.313,831 244.395,832 18.011,833 17.65,834 2.535,835 37.905,836 86.749,837 12.313,839 176.567,841 176.567,842 89.324,843 67.828,846 164.795,847 79.599,849 20.185,850 32.176,851 36.963,853 176.567,854 85.839,855 71.313,858 176.567,859 15.758,860 55.555,861 18.011,862 67.828,863 176.567,864 85.839,865 71.313,867 0.602,868 0.371,869 0.202,870 0.113,871 17,872 8,873 0.027,874 1,875 2,876 1.308,877 2.871,878 141.117,879 0.308,880 13,881 75.059,884 11.638,885 4.043,886 1.664,888 85.839,889 4.26,894 4.632,896 60.694,897 333.719,898 25,901 11.413,902 4.27,903 -0.75,905 34.825,906 39.239,907 0.275,908 0.684,909 0.858,910 0.891,911 0.936,912 0.936,913 4.549,914 0.676,915 5.541,916 2.285,917 4.111,918 4.522,919 2.429,920 6.447,921 4.09,922 5.766,923 0.188,924 7.168,925 1.801,926 3.892,927 4.443,928 2.243,929 7.535,930 3.862,931 7.095,932 -0.201,933 8.895,934 0.432,935 5.796,936 6.647,937 3.71,938 10.689,939 5.755,940 8.455,941 -0.865,942 10.68,943 -0.547,944 6.382,945 7.364,946 4.173,947 12.571,948 6.331,949 9.846,950 -1,951 12.498,952 -2,953 7.801,954 9.098,955 5.293,956 15.262,957 7.738,958 11.259,959 -1.1,960 14.34,961 -2.419,962 8.726,963 10.174,964 5.987,965 17.466,966 8.653,967 12.688,968 -1.406,969 16.198,970 -2.866,971 9.98,972 11.734,973 6.966,974 20.001,975 9.895,976 3.317,977 -1.462,978 18.068,979 -3.88,980 11.05,981 12.984,982 7.754,983 22.345,984 10.953,985 2.844,986 11.776,987 19.948,988 -4.27,989 12.249,990 14.472,991 8.671,992 24.826,993 12.141,994 2.461,995 9.639,996 21.835,997 4.184,998 13.383,999 15.81,1000 9.5,1001 27.232,1002 13.262,1003 2.036,1004 8.003,1005 23.728,1006 3.301,1007 14.568,1008 17.266,1009 10.389,1010 29.696,1011 14.434,1012 1.669,1013 6.211,1014 25.626,1015 2.929,1016 15.73,1017 18.647,1018 11.238,1019 32.131,1020 15.584,1021 1.26,1022 4.448,1023 27.529,1024 2.534,1025 16.913,1026 20.089,1027 12.114,1028 34.591,1029 16.754,1030 0.978,1031 3.129,1032 29.436,1033 2.217,1034 18.09,1035 21.494,1036 12.971,1037 37.04,1038 17.918,1039 2344,1040 3732,1041 12.948,1042 23.006,1043 31.321,1044 31.754,1045 32.525,1046 30.88,1047 30.857,1048 37.8,1049 7.025,1050 95.449,1051 30.515,1052 5.504,1053 5.817,1054 6.432,1055 5.347,1056 5.317,1057 7.184,1058 3.987,1059 19.472,1060 5.277,1061 9.626,1062 1.566,1063 1.588,1064 1.626,1065 1.544,1066 1.543,1067 1.89,1068 0.351,1069 4.772,1070 1.526,1071 4.078,1072 4.109,1073 4.02,1074 4.011,1075 7.474,1076 4.009,1077 3.762,1078 3.8,1079 3.673,1080 3.691,1081 6.351,1082 3.681,1083 3.469,1084 3.491,1085 3.401,1086 3.247,1087 4.767,1088 3.277,1089 3.171,1090 3.247,1091 3.008,1092 3.046,1093 4.416,1094 3.026,1095 3.153,1096 3.235,1097 2.967,1098 2.973,1099 4.034,1100 2.957,1101 2.877,1102 2.937,1103 2.689,1104 2.57,1105 3.878,1106 2.588,1107 2.719,1108 2.811,1109 2.477,1110 2.526,1111 3.684,1112 2.509,1113 2.565,1114 2.669,1115 2.333,1116 2.341,1117 3.272,1118 2.327,1119 0.228,1120 0.191,1121 0.348,1122 0.215,1123 0.166,1124 4.554,1125 0.209,1126 3.817,1127 0.119,1128 6.959,1129 0.589,1130 4.305,1131 0.164,1132 3.317,1133 4.184,1134 2.375,1135 11.776,1136 3.277,1137 1.999,1138 1.974,1139 2.099,1140 2.088,1141 1.399,1142 2.092,1143 1.647,1144 1.609,1145 1.837,1146 1.804,1147 1.125,1148 1.813,1149 1.532,1150 1.486,1151 1.737,1152 1.656,1153 0.905,1154 1.686,1155 1.225,1156 1.171,1157 1.565,1158 1.459,1159 0.634,1160 1.483,1161 1.146,1162 1.079,1163 1.435,1164 1.412,1165 0.544,1166 1.421,1167 1.032,1168 0.964,1169 1.306,1170 1.264,1171 0.45,1172 1.299,1173 0.722,1174 0.644,1175 0.972,1176 1.095,1177 0.042,1178 1.065,1179 0.389,1180 0.32,1181 0.752,1182 0.684,1184 0.713,1185 3.714,1186 5.081,1187 2.398,1188 6.658,1189 4.595,1190 8.339,1191 6.629,1192 10.079,1194 4.114,1199 9.381,1200 0.848,1201 3.237,1204 -0.072,1209 21.665,1210 49.435,1211 122.716,1212 154.015,1213 160.015,1214 168.015,1215 168.015,1216 30.091,1217 6.711,1218 49.33,1219 49.33,1220 17,1221 12.476,1222 3.17,1223 2.585,1224 25.423,1225 44,1226 34,1227 0.326,1228 132.625,1229 235.46,1230 315.365,1231 5830,1233 12.861,1234 0.715,1235 0.589,1236 12.861,1237 10.604,1238 8.592,1239 0.43,1240 0.318,1241 6.307,1242 8.394,1243 6.081,1244 5.034,1245 8.592,1246 6.354,1247 8.144,1248 0.271,1249 0.176,1250 8.144,1251 5.285,1252 7.204,1253 0.168,1254 0.101,1255 7.204,1256 4.334,1257 6.001,1258 0.102,1259 0.054,1260 6.001,1261 3.163,1262 4.882,1263 0.063,1264 0.029,1265 4.882,1266 2.195,1267 0.469,1268 53.116,1269 0.278,1270 17.163,1271 1.034,1272 100,1273 248.218,1274 106.482,1275 243.137,1276 330.98,1277 226,1278 123,1279 241.638,1280 129.097,1281 247.103,1282 364.86,1283 233,1284 4.66}
{0 CHEMBL1451516,1 1.721,2 9.667,3 4.904,4 24.045,5 102.78,6 9.386,7 0.71,8 3.851,9 3.92,10 3.667,11 3.509,12 5.07,13 3.496,14 4.338,15 4.428,16 4.079,17 3.9,18 5.52,19 3.873,20 4.509,21 4.653,22 4.089,23 3.92,24 5.683,25 3.859,26 4.431,27 4.572,28 4.048,29 3.824,30 5.702,31 3.798,32 4.459,33 4.614,34 4.085,35 3.805,36 5.778,37 3.774,38 4.314,39 4.451,40 3.925,41 3.727,42 5.546,43 3.685,44 4.225,45 4.357,46 3.7,47 3.66,48 5.362,49 3.601,50 4.227,51 4.383,52 3.537,53 3.569,54 5.391,55 3.522,56 0.09,57 0.547,58 4.8,59 3.399,60 7.306,61 3.382,62 0.207,63 0.921,64 11.318,65 5.985,66 16.42,67 5.722,68 0.422,69 1.112,70 19.159,71 8.134,72 33.384,73 8.044,74 0.4,75 1.048,76 13.62,77 6.358,78 38.703,79 6.169,80 0.566,81 1.155,82 18.341,83 6.789,84 49.953,85 5.833,86 0.358,87 0.959,88 16.401,89 6.339,90 32.029,91 5.224,92 0.289,93 0.835,94 13.608,95 5.792,96 21.982,97 4.978,98 0.353,99 0.788,100 13.235,101 5.704,102 30.491,103 5.779,104 2,105 44,106 0.296,107 0.607,108 0.744,109 0.839,110 0.865,111 0.891,112 3.341,113 0.899,114 -3.91,115 -3.87,116 -3.67,118 50,120 1,124 1,131 8,132 2,134 2,137 1,138 2,139 2,141 1,150 1,154 9,156 1,157 7,164 9,168 3,169 7,176 7,179 3,180 9,187 3,191 4,192 13,199 4,203 1,204 10,212 4,217 7,225 3,229 1,230 6,237 4,241 1,242 6,250 7,253 1039,254 18.861,255 18.861,256 18.861,257 18.861,258 18.861,259 16.202,260 7.393,261 11.18,262 19.145,263 15.348,264 15.348,265 15.348,266 15.348,267 15.348,268 11.369,269 5.634,270 5.332,271 15.839,272 3.601,273 1.799,274 1,275 0.45,276 0.3,277 0.15,278 4.053,281 1,282 1,283 591,284 2.345,285 195.504,286 159.092,288 113.75,291 1.432,292 27.43,295 1,296 1,297 1,298 0.4,300 1,301 1,302 0.77,303 58.5,304 261,305 4.506,306 4.65,307 6.704,308 4.169,309 3.183,310 4.205,311 3.325,312 10.894,313 3.154,314 4.444,315 3.701,316 6.681,317 4.107,318 3.126,319 4.005,320 1.133,321 10.744,322 3.057,323 3.942,324 3.115,325 5.781,326 3.536,327 2.547,328 3.515,330 7.882,331 2.525,332 3.788,333 2.786,334 5.609,335 3.334,336 2.443,337 3.269,339 7.443,340 2.175,341 3.484,342 2.675,343 5.218,344 3.073,345 2.091,346 2.779,348 6.251,349 2.042,350 3.269,351 2.534,352 4.793,353 2.799,354 1.824,355 2.571,357 5.052,358 1.753,359 2.97,360 1.92,361 4.658,362 2.646,363 1.662,364 2.111,365 4.733,366 1.623,367 2.857,368 1.587,369 4.025,370 2.388,371 1.414,372 2.009,373 3.408,374 1.376,375 2.769,376 1.414,377 3.633,378 2.34,379 1.357,380 1.861,382 2.971,383 1.328,384 2.401,385 1.313,386 3.456,387 1.905,388 0.927,389 1.346,391 2.153,392 0.9,393 2.29,394 1.06,395 3.324,396 1.791,397 0.79,398 1.163,400 1.925,401 0.781,402 2.247,403 0.802,404 3.256,405 1.755,406 0.755,407 1.076,409 1.836,410 0.753,411 2.118,412 0.643,413 3,414 1.618,415 0.618,416 0.927,418 1.372,419 0.618,420 2.118,421 0.618,422 3,423 1.618,424 0.618,425 0.927,427 1.372,428 0.618,429 1.342,430 0.618,431 2.97,432 0.988,433 0.086,434 0.102,436 0.236,437 0.075,438 13.033,439 0.483,440 0.551,441 0.02,442 39.75,443 1.472,444 22,445 0.815,446 17.75,447 0.657,448 18.775,449 0.695,450 26.567,451 0.664,452 27.666,453 1.025,454 7.762,455 0.287,456 5.53,457 0.205,458 0.026,460 0.345,462 0.71,463 0.95,464 0.623,465 0.844,466 0.559,467 0.765,468 0.897,469 1.162,470 0.912,471 1.111,472 0.718,473 0.946,474 0.923,475 1.102,476 1.092,477 1.138,478 1.064,479 1,480 1.04,481 1.17,482 0.856,483 0.897,484 1.348,485 0.889,486 1.078,487 1.095,488 1.17,489 0.971,490 1.16,491 0.833,492 1.264,493 1.074,494 1.365,495 1.144,496 1.015,497 0.929,498 1.301,499 1.067,500 1.427,501 1.153,502 0.972,503 1.096,504 1.065,505 0.903,506 1.088,507 1.022,508 0.939,509 1.089,510 4,511 0.08,512 2.889,513 2.007,514 1.116,515 0.837,516 0.442,517 0.259,518 0.276,519 0.216,520 9376,521 27243,522 2.231,523 32.5,525 9,526 2,530 2,531 1.704,532 2.16,533 3.277,534 -0.733,540 68.823,541 1.721,542 3.523,543 4.322,544 4.872,545 5.022,546 5.172,547 2.661,548 4.282,549 4.729,550 3.439,551 1207.05,552 8.223,553 15261.8,555 1,558 212.877,559 1.125,560 4.716,561 0.129,562 0.004,563 0.066,564 0.049,565 0.027,566 0.021,567 0.013,568 0.009,569 0.01,570 0.008,571 0.336,572 0.33,573 0.88,574 0.352,575 132.446,576 0.007,577 0.004,578 0.062,580 -0.005,581 0.011,582 -0.04,583 -0.188,584 -0.008,585 -0.15,586 -0.054,587 -0.104,588 0.058,589 -0.102,590 0.046,591 -0.061,592 -0.012,593 -0.021,594 0.02,595 -0.101,596 0.078,597 0.027,598 -0.067,599 -0.009,600 0.072,601 0.1,602 0.009,603 0.072,604 0.043,605 0.059,606 -0.175,607 0.045,608 -0.153,609 -0.046,610 -0.067,611 -0.023,612 -0.297,613 -0.036,614 -0.366,615 -0.124,616 -0.19,617 -0.185,618 -0.032,619 0.033,620 -0.215,621 -0.105,622 0.013,623 -0.119,624 1.58,625 5.638,626 0.926,627 22.428,628 1.02,629 1.103,630 2.681,631 7.188,632 0.746,633 3.466,634 3.807,635 4.143,636 4.454,637 4.615,638 4.736,639 4.898,640 5.03,641 5.094,642 5.209,643 6.044,644 0.726,645 375.43,646 3.466,647 5.017,648 5.894,649 6.788,650 7.68,651 8.579,652 9.477,653 10.378,654 11.278,655 12.18,656 7.5,663 3,665 1,667 10,668 3,670 2,672 7,674 22,676 1,688 40,689 23,690 1,691 31,693 44,694 20,695 17,696 2,697 4,698 1,700 5,701 6,705 2,708 2,710 18,711 2,714 1,717 1,719 1,724 2,725 13,726 6,728 7,729 1,732 3,734 0.8,735 3,743 3,744 2,746 1,757 4,758 1,759 1,765 27,769 1,772 1,773 1,782 7.5,785 1,787 2,789 12.5,790 7.433,791 5.833,792 2.372,794 3.277,795 1.426,796 1.033,797 4.061,798 10.969,799 3.784,800 4.401,801 5.029,802 5.629,803 6.043,804 6.384,805 6.807,806 7.171,807 7.465,808 7.762,809 1,810 41,811 9.967,813 4.404,814 7.759,815 18.868,817 15.912,819 2.259,820 61,822 1,823 153.024,824 162.652,825 50.112,827 44.16,829 32.22,830 130.432,831 197.184,832 50.112,834 2.535,835 99.289,836 80.39,837 30.899,838 35.133,839 161.702,841 153.024,842 180.544,843 44.16,844 32.22,846 129.482,847 67.702,849 8.741,850 121.691,851 50.112,852 32.22,853 153.024,854 94.271,855 162.652,858 153.024,859 63.363,860 99.289,862 94.271,863 153.024,864 94.271,865 162.652,867 0.581,868 0.353,869 0.204,870 0.101,871 24,872 9,873 0.091,874 4,875 1,876 1.08,877 3.969,878 245.887,879 0.08,880 25,881 128.382,882 1,884 16.338,885 6.711,886 2.962,888 94.271,889 17.996,890 13.124,892 10.953,894 4.438,897 409.947,898 43,901 12.638,903 0.105,905 40.782,906 44.119,907 0.323,908 0.662,909 0.812,910 0.915,911 0.944,912 0.972,913 5.014,914 1.414,915 5.872,916 4.733,917 4.489,918 5.088,919 3.246,920 6.711,921 4.432,922 6.219,923 1.357,924 7.44,925 3.408,926 4.007,927 4.732,929 7.642,930 3.924,931 7.522,932 0.927,933 9.112,934 2.971,935 6.098,936 7.269,937 5.517,938 10.794,939 5.995,940 8.866,941 0.79,942 10.849,943 2.153,944 6.524,945 7.824,947 12.596,948 6.412,949 10.244,950 0.755,951 12.626,952 1.925,953 8.018,954 9.726,955 7.904,956 15.24,957 7.885,958 11.648,959 0.618,960 14.432,961 1.836,962 8.846,963 10.706,965 17.385,966 8.711,967 13.071,968 0.618,969 16.258,970 1.372,971 10.118,972 12.342,973 10.305,974 19.862,975 9.965,976 3.183,977 0.086,978 18.098,979 1.372,980 11.125,981 13.533,983 22.146,984 10.969,985 3.126,986 10.894,987 19.95,988 0.236,989 12.314,990 15.05,991 12.708,992 24.562,993 12.143,994 2.547,995 10.744,996 21.811,997 4.205,998 13.399,999 16.349,1001 26.903,1002 13.221,1003 2.443,1004 7.882,1005 23.679,1006 4.005,1007 14.558,1008 17.811,1009 15.111,1010 29.297,1011 14.367,1012 2.091,1013 7.443,1014 25.552,1015 3.515,1016 15.678,1017 19.165,1019 31.662,1020 15.477,1021 1.824,1022 6.251,1023 27.43,1024 3.269,1025 16.828,1026 20.603,1027 17.514,1028 34.048,1029 16.615,1030 1.662,1031 5.052,1032 29.312,1033 2.779,1034 17.963,1035 21.987,1037 36.422,1038 17.739,1039 8529,1040 14721,1041 21.671,1042 29.835,1043 47.567,1044 49.724,1045 47.056,1046 46.909,1047 46.877,1048 63.735,1049 8.917,1050 136.547,1051 45.556,1052 5.399,1053 6.65,1054 6.385,1055 5.331,1056 5.183,1057 7.205,1058 6.65,1059 18.055,1060 5.154,1061 6.471,1062 1.534,1063 1.604,1064 1.518,1065 1.513,1066 1.512,1067 2.056,1068 0.288,1069 4.405,1070 1.47,1071 4.045,1072 4.063,1073 4.113,1074 3.977,1075 7.426,1076 3.968,1077 3.979,1078 3.995,1079 3.945,1080 3.85,1081 5.207,1082 3.873,1083 3.824,1084 3.83,1085 3.771,1086 3.663,1087 5.047,1088 3.685,1089 3.586,1090 3.626,1091 3.731,1092 3.48,1093 4.905,1094 3.446,1095 3.411,1096 3.449,1097 3.376,1098 3.266,1099 4.711,1100 3.279,1101 2.987,1102 3.028,1103 3.035,1104 2.845,1105 4.045,1106 2.842,1107 2.798,1108 2.817,1109 2.854,1110 2.803,1111 3.899,1112 2.737,1113 2.588,1114 2.668,1115 2.549,1116 2.391,1117 3.644,1118 2.403,1119 0.145,1120 0.15,1121 0.216,1122 0.134,1123 0.103,1124 4.506,1125 0.136,1126 4.65,1127 0.107,1128 6.704,1129 0.351,1130 4.169,1131 0.102,1132 3.183,1133 4.205,1134 3.325,1135 10.894,1136 3.154,1137 1.891,1138 1.869,1139 2.001,1140 1.961,1141 1.175,1142 1.976,1143 1.77,1144 1.746,1145 1.791,1146 1.943,1147 1.003,1148 1.901,1149 1.53,1150 1.513,1151 1.659,1152 1.652,1153 0.877,1154 1.672,1155 1.464,1156 1.425,1157 1.644,1158 1.587,1159 0.689,1160 1.604,1161 1.408,1162 1.374,1163 1.574,1164 1.586,1165 0.551,1166 1.589,1167 1.189,1168 1.195,1169 1.304,1170 1.487,1171 0.352,1172 1.424,1173 1.073,1174 1.046,1175 1.217,1176 1.359,1177 0.245,1178 1.304,1179 1.032,1180 1,1181 1.135,1182 1.215,1183 0.181,1184 1.214,1185 4.143,1186 5.476,1187 3.434,1188 6.999,1189 5.687,1190 8.61,1191 7.695,1192 10.272,1200 0.666,1203 1.327,1204 -0.247,1209 29.03,1210 68.823,1211 140.903,1212 172.877,1213 194.877,1214 200.877,1215 206.877,1216 40.144,1217 7.692,1218 82.02,1219 107.32,1220 27,1221 12.701,1222 4.585,1223 3.7,1224 35.659,1225 99,1226 83,1227 0.177,1228 176.951,1229 298,1230 423.522,1231 22073,1233 18.217,1234 0.675,1235 0.55,1236 18.571,1237 14.849,1238 13.293,1239 0.429,1240 0.3,1241 8.367,1242 12.34,1243 8.163,1244 6.695,1245 13.701,1246 9.286,1247 11.895,1248 0.27,1249 0.165,1250 12.564,1251 7.248,1252 10.703,1253 0.173,1254 0.088,1255 11.475,1256 5.454,1257 9.346,1258 0.11,1259 0.049,1260 10.172,1261 4.136,1262 6.971,1263 0.07,1264 0.028,1265 7.921,1266 2.776,1267 0.274,1268 87.55,1269 0.215,1270 25.658,1271 0.498,1272 150,1273 479.002,1274 191.476,1275 478.006,1276 662.67,1277 450,1278 181,1279 486.043,1280 219.758,1281 499.588,1282 738.86,1283 472,1284 4}
{0 CHEMBL1454310,1 1.606,2 5.944,3 3.143,4 9.88,5 80.452,6 11.1,7 0.3,8 3.573,9 3.675,10 3.49,11 3.265,12 4.655,13 3.181,14 4.13,15 4.272,16 3.999,17 3.747,18 5.253,19 3.623,20 4.465,21 4.649,22 4.084,23 3.937,24 5.471,25 3.766,26 4.558,27 4.776,28 4.197,29 3.931,30 5.564,31 3.761,32 4.483,33 4.686,34 4.172,35 3.856,36 5.624,37 3.618,38 4.234,39 4.48,40 3.938,41 3.571,42 5.333,43 3.25,44 3.825,45 4.07,46 3.016,47 2.956,48 4.954,49 2.544,50 2.981,51 3.376,52 3.38,53 1.888,54 3.855,55 1.548,56 0.029,57 0.422,58 2.226,59 3.014,60 8.097,61 3.679,62 0.131,63 0.743,64 6.566,65 5.852,66 35.026,67 7.212,68 0.205,69 1.038,70 28.259,71 9.774,72 36.79,73 10.64,74 0.22,75 1.126,76 19.903,77 9.692,78 40.649,79 10.799,80 0.187,81 1.01,82 51.28,83 12.292,84 44.896,85 11.177,86 0.148,87 0.767,88 43.977,89 10.731,90 37.637,91 9.783,92 0.229,93 0.484,94 44.762,95 8.076,96 45.33,97 5.928,98 0.065,99 0.206,100 19.93,101 3.715,102 12.871,103 3.032,104 18,105 30,106 0.304,107 0.721,108 0.871,109 0.894,110 0.906,111 0.906,112 2.964,113 1.067,114 -4.45,115 -4.38,116 -4.13,118 43.8,119 1,120 1,121 2,124 1,128 2,131 2,132 2,133 2,142 1,151 1,153 1,154 9,160 1,162 3,163 1,164 13,165 1,169 1,172 1,173 1,174 6,176 10,177 2,180 2,185 4,187 9,188 4,192 4,196 5,199 8,200 3,204 3,209 3,212 6,226 1,230 1,234 1,253 248,254 11.861,255 11.861,256 11.861,257 11.861,258 11.861,259 10.667,260 16.868,261 6.734,262 12.137,263 9.861,264 9.861,265 9.861,266 9.861,267 9.861,268 8.054,269 24.104,270 3.166,271 10.388,272 3.394,273 1.188,274 0.399,275 0.274,276 0.211,277 0.211,278 3.633,280 1,281 1,282 1,283 227,284 2.55,285 26.058,286 62.976,288 46.938,289 53.816,291 0.957,292 18.468,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 37.9,304 107,305 4.535,306 3.817,307 6.943,308 4.294,309 3.309,310 4.142,311 2.375,312 11.739,313 3.258,314 4.024,315 3.421,316 6.307,317 3.759,318 2.781,319 3.237,320 0.68,321 9.373,322 2.713,323 3.66,324 2.901,325 5.807,326 3.411,327 2.422,328 2.849,329 0.458,330 7.726,331 2.385,332 3.445,333 2.557,334 5.014,335 2.925,336 2.097,337 2.75,339 5.914,340 1.781,341 3.13,342 2.255,343 4.92,344 2.785,345 1.784,346 2.286,348 5.115,349 1.538,350 2.727,351 1.932,352 4.179,353 2.301,354 1.318,355 1.642,357 3.364,358 1.254,359 2.298,360 1.371,361 3.519,362 1.99,363 1.006,364 1.197,365 2.348,366 0.976,367 1.79,368 1.02,369 3.48,370 1.626,371 0.657,372 0.72,373 1.792,374 0.609,375 1.339,376 0.655,377 2.974,378 1,379 0.071,380 0.084,382 0.192,383 0.042,384 0.88,385 0.329,386 2.684,387 0.508,388 -0.45,389 -0.562,391 -1.167,392 -0.197,393 0.498,394 -0.013,395 2.439,396 0.117,397 -0.798,398 -0.892,400 -2,401 -0.532,402 0.334,403 -0.297,404 2.069,405 0.002,406 -0.868,407 -0.982,409 -2.119,410 -0.842,411 0.286,412 -0.531,413 1.768,414 -0.093,415 -1,416 -1.339,418 -2.465,419 -0.97,420 -0.157,421 -1.034,422 1.501,423 -0.425,424 -1.412,425 -1.616,427 -3.934,428 -1.325,429 -0.236,430 -1.257,431 1.485,432 -0.581,433 -1.526,434 -1.822,436 -4.231,437 -1.426,438 9.71,439 0.539,440 0.597,441 0.033,442 20,443 1.111,444 9,445 0.5,446 11,447 0.611,448 17.799,449 0.989,450 18.49,451 0.578,452 10.886,453 0.605,454 3.457,455 0.192,456 5.119,457 0.284,458 0.289,460 0.412,462 0.797,463 0.923,464 0.461,465 0.538,466 0.712,467 0.738,468 0.4,469 1.023,470 0.507,471 0.603,472 0.345,473 0.837,474 0.65,475 1.124,476 0.772,477 0.861,478 0.701,479 1.046,480 1.066,481 0.875,482 0.512,483 0.568,484 0.948,485 0.815,486 1.249,487 1.127,488 1.302,489 1.291,490 1.27,491 1.19,492 1.053,493 0.995,494 1.38,495 1.264,496 1.088,497 1.09,498 2.178,499 1.032,500 1.913,501 1.698,502 2.374,503 1.408,504 0.549,505 0.402,506 1.285,507 1.297,508 0.553,509 0.338,510 4,512 2.444,513 1.368,514 1.675,515 0.917,516 0.297,517 0.118,520 2315,521 7441,522 2.053,523 43.8,524 6,525 5,528 2,530 1,531 1.597,532 1.862,533 2.603,534 0.374,536 1,538 1,539 1,540 51.394,541 1.606,542 3.813,543 4.601,544 4.726,545 4.789,546 4.789,547 2.177,548 3.419,549 4.145,550 2.692,551 411.848,552 7.084,553 3747.41,554 1,555 1,556 1,557 1,558 160,559 1.53,560 4.071,561 0.2,563 0.081,564 0.044,565 0.056,566 0.04,567 0.021,568 0.039,571 0.482,572 0.67,573 1,574 0.946,575 73.018,576 -0.094,577 0.099,578 -0.004,579 0.042,580 -0.078,581 0.071,582 0.203,583 -0.024,584 0.014,585 0.031,586 0.212,587 0.019,588 0.087,589 -0.129,590 -0.042,591 -0.073,592 -0.01,593 -0.139,594 -0.122,595 0.128,596 0.03,597 0.096,598 -0.097,599 0.065,600 -0.111,601 -0.178,602 -0.083,603 -0.144,604 -0.072,605 -0.184,606 -0.016,607 -0.085,608 -0.049,609 -0.022,610 0.028,611 -0.009,612 -0.404,613 -0.122,614 -0.205,615 -0.185,616 -0.438,617 -0.304,618 0.363,619 0.465,620 0.307,621 0.165,622 0.374,623 0.945,624 2.419,625 4.393,626 0.722,627 9.333,628 1,629 1.111,630 3.222,631 10.38,632 0.747,633 3.045,634 3.434,635 3.761,636 4.111,637 4.369,638 4.522,639 4.585,640 4.635,641 4.489,642 4.344,643 3.837,644 0.67,645 355.19,646 3.045,647 4.615,648 5.501,649 6.425,650 7.336,651 8.264,652 9.183,653 10.112,654 11.034,655 11.963,656 3.1,659 1,667 2,672 4,674 6,683 1,687 1,688 32,689 8,690 1,691 20,693 34,694 14,695 6,696 4,697 2,700 3,701 6,704 1,705 2,706 2,708 2,710 9,711 5,712 2,714 2,717 1,718 2,719 1,721 1,722 1,725 14,726 3,727 2,728 4,729 1,730 1,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 1,764 1,765 18,768 1,769 1,770 1,773 3,781 1,782 6.3,784 1,785 1,789 9.667,790 5.843,791 3.833,792 1.926,794 1.672,795 1.249,796 0.971,797 3.038,798 8.383,799 3.258,800 3.839,801 4.347,802 4.91,803 5.407,804 5.711,805 5.915,806 6.236,807 6.323,808 6.408,809 1,810 31,811 6.703,813 2.978,814 7.803,815 12.929,817 11.356,819 2.303,820 41.453,821 0.002,823 141.253,824 117.744,825 18.011,827 67.828,829 56.782,830 60.962,831 209.081,832 18.011,833 8.825,834 2.535,835 37.905,836 86.749,837 10.788,839 198.035,841 141.253,842 78.973,843 67.828,845 56.782,846 129.482,847 79.599,849 11.36,850 30.65,851 36.963,852 56.782,853 141.253,854 85.839,855 60.962,856 56.782,858 141.253,859 14.232,860 103.512,861 18.011,862 67.828,863 141.253,864 85.839,865 60.962,866 56.782,867 0.6,868 0.359,869 0.209,870 0.119,871 17,872 8,873 0.029,874 1,875 2,876 1.308,877 2.874,878 140.958,879 0.308,880 13,881 75.059,884 12.326,885 4.437,886 1.958,888 85.839,889 4.256,894 4.589,896 60.694,897 344.836,898 25,901 11.393,902 4.271,903 -0.753,905 32.011,906 35.544,907 0.321,908 0.763,909 0.92,910 0.945,911 0.958,912 0.958,913 4.549,914 0.657,915 5.533,916 2.348,917 4.111,918 4.522,919 2.429,920 6.431,921 4.028,922 5.766,923 0.071,924 7.149,925 1.792,926 3.892,927 4.443,928 2.243,929 7.489,930 3.741,931 7.091,932 -0.45,933 8.865,934 0.192,935 5.784,936 6.635,937 3.71,938 10.644,939 5.668,940 8.445,941 -0.798,942 10.637,943 -1.167,944 6.347,945 7.321,946 4.173,947 12.509,948 6.204,949 9.829,950 -0.868,951 12.444,952 -2,953 7.769,954 9.057,955 5.293,956 15.201,957 7.633,958 11.232,959 -1,960 14.277,961 -2.119,962 8.677,963 10.101,964 5.987,965 17.402,966 8.528,967 12.653,968 -1.412,969 16.127,970 -2.465,971 9.932,972 11.662,973 6.966,974 19.937,975 9.779,976 3.309,977 -1.526,978 17.991,979 -3.934,980 10.994,981 12.888,982 7.754,983 22.282,984 10.828,985 2.781,986 11.739,987 19.866,988 -4.231,989 12.194,990 14.374,991 8.671,992 24.763,993 12.018,994 2.422,995 9.373,996 21.749,997 4.142,998 13.324,999 15.692,1000 9.5,1001 27.17,1002 13.134,1003 2.097,1004 7.726,1005 23.64,1006 3.237,1007 14.509,1008 17.144,1009 10.389,1010 29.634,1011 14.307,1012 1.784,1013 5.914,1014 25.536,1015 2.849,1016 15.67,1017 18.511,1018 11.238,1019 32.069,1020 15.454,1021 1.318,1022 5.115,1023 27.438,1024 2.75,1025 16.853,1026 19.947,1027 12.114,1028 34.528,1029 16.623,1030 1.006,1031 3.364,1032 29.343,1033 2.286,1034 18.029,1035 21.339,1036 12.971,1037 36.977,1038 17.785,1039 2345,1040 4241,1041 12.948,1042 23.904,1043 31.394,1044 31.983,1045 32.336,1046 31.173,1047 30.892,1048 37.812,1049 7.025,1050 95.126,1051 29.11,1052 5.484,1053 5.817,1054 6.414,1055 5.337,1056 5.309,1057 7.142,1058 3.987,1059 19.387,1060 5.258,1061 9.666,1062 1.57,1063 1.599,1064 1.617,1065 1.559,1066 1.545,1067 1.891,1068 0.351,1069 4.756,1070 1.455,1071 4.07,1072 4.1,1073 10.695,1074 4.086,1075 7.474,1076 4.008,1077 3.735,1078 3.768,1079 3.989,1080 3.794,1081 6.351,1082 3.672,1083 3.468,1084 3.487,1085 3.607,1086 3.397,1087 4.756,1088 3.281,1089 3.165,1090 3.243,1091 3.399,1092 3.212,1093 4.406,1094 3.033,1095 2.977,1096 3.01,1097 2.945,1098 2.967,1099 4.002,1100 2.862,1101 2.788,1102 2.856,1103 2.801,1104 2.536,1105 3.85,1106 2.555,1107 2.604,1108 2.708,1109 2.556,1110 2.454,1111 3.42,1112 2.36,1113 2.401,1114 2.504,1115 2.373,1116 2.348,1117 3.221,1118 2.181,1119 0.227,1120 0.191,1121 0.347,1122 0.215,1123 0.165,1124 4.535,1125 0.207,1126 3.817,1127 0.119,1128 6.943,1129 0.587,1130 4.294,1131 0.163,1132 3.309,1133 4.142,1134 2.375,1135 11.739,1136 3.258,1137 1.984,1138 1.962,1139 2.057,1140 2.064,1141 1.393,1142 2.07,1143 1.629,1144 1.592,1145 1.811,1146 1.77,1147 1.09,1148 1.785,1149 1.512,1150 1.47,1151 1.709,1152 1.633,1153 0.875,1154 1.663,1155 1.223,1156 1.173,1157 1.453,1158 1.452,1159 0.596,1160 1.45,1161 1.074,1162 1.036,1163 1.313,1164 1.301,1165 0.473,1166 1.332,1167 0.773,1168 0.719,1169 0.951,1170 1.092,1171 0.089,1172 1.061,1173 0.576,1174 0.5,1175 0.909,1176 0.81,1178 0.857,1179 0.311,1180 0.239,1181 0.682,1182 0.607,1184 0.645,1185 3.714,1186 5.081,1187 2.398,1188 6.65,1189 4.595,1190 8.326,1191 6.629,1192 10.062,1194 2.034,1197 2.316,1199 9.365,1200 0.846,1201 3.22,1204 -0.084,1209 21.455,1210 51.394,1211 122,1212 147.245,1213 151.245,1214 153.245,1215 153.245,1216 29.934,1217 6.711,1218 49.33,1219 49.33,1220 17,1221 12.467,1222 3.17,1223 2.585,1224 25.419,1225 45,1226 34,1227 0.326,1228 140.618,1229 243.44,1230 334.867,1231 5828,1232 3.1,1233 12.861,1234 0.715,1235 0.674,1236 14.361,1237 12.139,1238 8.575,1239 0.429,1240 0.356,1241 6.057,1242 7.664,1243 5.827,1244 4.777,1245 9.441,1246 7.116,1247 8.284,1248 0.276,1249 0.208,1250 9.509,1251 6.246,1252 6.855,1253 0.163,1254 0.108,1255 7.562,1256 4.52,1257 6.203,1258 0.103,1259 0.065,1260 7.169,1261 3.888,1262 4.963,1263 0.064,1264 0.033,1265 5.75,1266 2.597,1267 0.469,1268 66.583,1269 0.278,1270 17.17,1271 1.034,1272 100,1273 261.867,1274 255.391,1275 296.819,1276 389.36,1277 274,1278 122,1279 251.948,1280 175.928,1281 271.684,1282 400.75,1283 256,1284 4}
{0 CHEMBL1456035,1 1.821,2 6,3 4.072,4 16.582,5 77.417,6 10.986,7 0.286,8 3.516,9 3.587,10 3.392,11 3.192,12 4.697,13 3.166,14 4.067,15 4.164,16 3.885,17 3.674,18 5.329,19 3.619,20 4.44,21 4.592,22 4.186,23 3.879,24 5.624,25 3.786,26 4.476,27 4.639,28 4.205,29 3.85,30 5.692,31 3.763,32 4.375,33 4.515,34 4.107,35 3.692,36 5.767,37 3.593,38 4.048,39 4.196,40 3.663,41 3.274,42 5.525,43 3.136,44 3.416,45 3.575,46 2.851,47 2.454,48 4.984,49 2.29,50 2.307,51 2.503,52 2.222,53 1.269,54 4.162,55 1.22,56 0.137,57 0.362,58 1.86,59 2.253,60 16.974,61 2.393,62 0.287,63 0.627,64 3.898,65 4.252,66 44.784,67 4.933,68 0.588,69 0.858,70 19.344,71 7.276,72 68.375,73 8.317,74 0.659,75 0.859,76 23.927,77 7.788,78 80.685,79 8.316,80 0.704,81 0.677,82 26.201,83 7.448,84 79.871,85 7.339,86 0.646,87 0.423,88 25.485,89 6.009,90 77.743,91 5.913,92 0.449,93 0.195,94 19.43,95 3.453,96 54.741,97 3.223,98 0.194,99 0.059,100 6.223,101 1.142,102 25.329,103 1.165,104 27,105 32,106 0.352,107 0.754,108 0.881,109 0.926,110 0.926,111 0.926,112 3.014,113 0.996,114 -4.99,115 -4.89,116 -4.58,118 44.8,120 1,121 2,124 1,128 2,131 1,132 1,133 4,142 1,151 1,153 1,154 6,160 1,162 2,163 1,164 10,165 1,169 1,172 1,173 1,174 5,176 8,177 2,180 2,185 5,187 6,188 3,192 3,196 4,199 9,200 2,204 2,209 2,212 6,213 1,217 1,222 1,226 1,230 1,234 1,253 311,254 12.414,255 12.414,256 12.414,257 12.414,258 12.414,259 11.139,260 15.269,261 6.932,262 12.785,263 10.308,264 10.308,265 10.308,266 10.308,267 10.308,268 8.416,269 20.256,270 3.223,271 11.106,272 3.037,273 0.961,274 0.302,275 0.069,276 0.069,277 0.069,278 3.68,279 3,281 1,282 1,283 240,284 2.646,285 27.907,286 66.99,288 49.965,289 57.375,291 0.947,292 28.69,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 41.5,304 114,305 4.633,306 3.837,307 7.083,308 4.336,309 3.371,310 4.302,311 2.375,312 12.223,313 3.257,314 4.069,315 3.603,316 6.441,317 3.814,318 2.868,319 3.262,320 0.68,321 9.796,322 2.682,323 3.704,324 3.075,325 5.861,326 3.4,327 2.447,328 3.022,329 0.458,330 7.877,331 2.323,332 3.595,333 2.942,334 5.661,335 3.148,336 2.271,337 2.826,339 7.088,340 1.861,341 3.207,342 2.368,343 5.049,344 2.795,345 1.866,346 2.383,348 5.476,349 1.671,350 2.727,351 2.143,352 4.256,353 2.304,354 1.333,355 1.643,357 3.462,358 1.259,359 2.321,360 1.789,361 3.66,362 2.005,363 1.03,364 1.221,365 2.378,366 0.98,367 1.924,368 1.428,369 3.502,370 1.667,371 0.796,372 0.869,373 2.081,374 0.645,375 1.597,376 0.942,377 3.207,378 1.179,379 0.397,380 0.448,382 0.994,383 0.26,384 1.016,385 0.548,386 3.04,387 0.683,388 -0.237,389 -0.27,391 -0.707,392 -0.194,393 0.602,394 0.272,395 2.487,396 0.177,397 -0.57,398 -0.647,400 -1.333,401 -0.305,402 0.415,403 0.21,404 2.228,405 -0.007,406 -0.867,407 -0.981,409 -2,410 -0.736,411 0.32,412 -0.467,413 1.774,414 -0.023,415 -1,416 -1.317,418 -2.437,419 -0.844,420 -0.122,421 -0.598,422 1.715,423 -0.463,424 -1.289,425 -1.497,427 -3.292,428 -0.969,429 -0.187,430 -1.03,431 1.531,432 -0.58,433 -1.447,434 -1.634,436 -4.237,437 -1.252,438 9.71,439 0.511,440 0.669,441 0.035,442 21.25,443 1.118,444 9,445 0.474,446 12.25,447 0.645,448 18.238,449 0.96,450 20.29,451 0.7,452 13.576,453 0.715,454 3.931,455 0.207,456 5.072,457 0.267,458 0.289,460 0.463,462 0.705,463 0.987,464 0.481,465 0.613,466 0.672,467 0.654,468 0.487,469 1.211,470 0.538,471 0.795,472 0.4,473 0.875,474 0.656,475 1.087,476 0.685,477 0.855,478 0.699,479 0.949,480 0.96,481 0.99,482 0.785,483 0.819,484 0.981,485 0.872,486 1.355,487 0.989,488 1.125,489 1.048,490 1.415,491 1.058,492 1.499,493 0.919,494 1.69,495 1.386,496 1.46,497 1.274,498 1.742,499 0.771,500 2.28,501 1.83,502 1.686,503 1.552,504 0.452,505 0.299,506 1.261,507 1.335,508 0.577,509 0.752,510 4,512 2.889,513 1.681,514 1.976,515 1.059,516 0.379,517 0.118,520 2582,521 11376,522 2.019,523 34.5,524 3,525 4,528 2,530 1,531 1.615,532 1.81,533 2.618,534 0.445,536 1,540 52.802,541 1.821,542 3.897,543 4.556,544 4.789,545 4.789,546 4.789,547 2.215,548 3.682,549 4.223,550 2.708,551 463.121,552 7.249,553 4363.85,555 1,556 1,557 1,558 140.881,559 1.524,560 4.135,561 0.19,563 0.09,564 0.048,565 0.058,566 0.039,567 0.025,568 0.024,571 0.475,572 0.67,573 1,574 0.954,575 78.506,576 -0.102,577 0.122,578 -0.018,579 0.114,580 -0.066,581 0.087,582 0.104,583 -0.137,584 0.013,585 -0.021,586 0.18,587 -0.063,588 0.1,589 -0.059,590 0.106,591 0.048,592 0.025,593 0.001,594 -0.069,595 0.026,596 0.098,597 0.13,598 -0.109,599 0.106,600 -0.202,601 -0.08,602 -0.048,603 -0.028,604 -0.194,605 -0.07,606 -0.179,607 -0.111,608 -0.287,609 -0.248,610 -0.131,611 -0.197,612 -0.157,613 -0.027,614 -0.563,615 -0.581,616 -0.113,617 -0.406,618 1.221,619 0.44,620 0.493,621 0.014,622 1.14,623 0.574,624 2.55,625 4.378,626 0.684,627 10.033,628 1.035,629 1.112,630 3.758,631 14.121,632 0.761,633 3.091,634 3.497,635 3.85,636 4.19,637 4.466,638 4.615,639 4.7,640 4.71,641 4.625,642 4.5,643 3.896,644 0.727,645 318.59,646 3.091,647 4.673,648 5.572,649 6.503,650 7.427,651 8.362,652 9.293,653 10.229,654 11.162,655 12.098,656 3.4,659 1,667 1,672 5,674 6,683 1,687 3,688 29,689 8,690 1,691 21,693 31,694 13,695 6,696 5,697 1,700 3,701 6,702 3,705 2,706 2,708 2,710 9,711 4,712 2,714 2,717 1,718 2,719 1,722 1,725 10,726 3,727 2,728 6,729 3,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,762 3,765 19,768 1,769 1,770 1,773 3,781 3,782 6.9,784 1,785 1,789 10.5,790 5.045,791 4.056,792 1.706,794 1.681,795 1.246,796 0.953,797 3.354,798 8.502,799 3.296,800 3.902,801 4.44,802 4.995,803 5.514,804 5.812,805 6.026,806 6.302,807 6.452,808 6.531,809 1,810 35,811 7.05,813 3.233,814 8.096,815 13.082,817 11.527,819 2.596,820 49.333,823 94.169,824 48.317,825 18.011,826 117.446,827 67.828,830 48.317,831 279.443,832 18.011,834 2.535,835 28.429,836 86.749,837 16.444,839 94.169,840 117.446,841 94.169,842 66.328,843 67.828,844 117.446,846 82.398,847 79.599,849 2.535,850 26.83,851 154.409,853 94.169,854 85.839,855 165.763,858 94.169,859 19.889,860 28.429,861 18.011,862 185.274,863 94.169,864 85.839,865 165.763,867 0.606,868 0.375,869 0.211,870 0.121,871 18,872 9,873 0.032,874 1,875 2,876 1.308,877 2.901,878 154.025,879 0.308,880 13,881 80.711,884 13.401,885 4.755,886 2.007,888 85.839,889 1.537,894 2.611,896 60.694,897 345.771,898 26,901 11.378,902 3.964,903 -0.883,905 30.029,906 32.24,907 0.375,908 0.802,909 0.938,910 0.986,911 0.986,912 0.986,913 4.6,914 0.796,915 5.617,916 2.378,917 4.174,918 4.585,919 2.429,920 6.541,921 4.035,922 5.833,923 0.397,924 7.255,925 2.081,926 4.007,927 4.59,928 2.243,929 7.656,930 3.756,931 7.173,932 -0.237,933 8.993,934 0.994,935 5.878,936 6.747,937 3.71,938 10.826,939 5.659,940 8.545,941 -0.57,942 10.785,943 -0.707,944 6.494,945 7.531,946 4.173,947 12.737,948 6.19,949 9.947,950 -0.867,951 12.612,952 -1.333,953 7.901,954 9.241,955 5.293,956 15.454,957 7.614,958 11.37,959 -1,960 14.462,961 -2,962 8.848,963 10.374,964 5.987,965 17.698,966 8.503,967 12.811,968 -1.289,969 16.329,970 -2.437,971 10.102,972 11.929,973 6.966,974 20.265,975 9.755,976 3.371,977 -1.447,978 18.209,979 -3.292,980 11.192,981 13.229,982 7.754,983 22.653,984 10.803,985 2.868,986 12.223,987 20.099,988 -4.237,989 12.4,990 14.725,991 8.671,992 25.169,993 11.995,994 2.447,995 9.796,996 21.999,997 4.302,998 13.552,999 16.106,1000 9.5,1001 27.62,1002 13.113,1003 2.271,1004 7.877,1005 23.905,1006 3.262,1007 14.75,1008 17.58,1009 10.389,1010 30.121,1011 14.287,1012 1.866,1013 7.088,1014 25.818,1015 3.022,1016 15.93,1017 19,1018 11.238,1019 32.598,1020 15.436,1021 1.333,1022 5.476,1023 27.736,1024 2.826,1025 17.129,1026 20.465,1027 12.114,1028 35.096,1029 16.607,1030 1.03,1031 3.462,1032 29.658,1033 2.383,1034 18.323,1035 21.905,1036 12.971,1037 37.586,1038 17.77,1039 2636,1040 5584,1041 13.353,1042 22.057,1043 33.266,1044 34.434,1045 34.579,1046 33.012,1047 32.76,1048 39.954,1049 7.025,1050 102.751,1051 29.874,1052 5.583,1053 5.837,1054 6.553,1055 5.38,1056 5.371,1057 7.302,1058 3.987,1059 19.881,1060 5.257,1061 11.112,1062 1.584,1063 1.64,1064 1.647,1065 1.572,1066 1.56,1067 1.903,1068 0.335,1069 4.893,1070 1.423,1071 4.067,1072 4.091,1073 4.209,1074 4.008,1075 7.474,1076 4.003,1077 3.723,1078 3.742,1079 3.801,1080 3.668,1081 6.351,1082 3.654,1083 3.469,1084 3.487,1085 3.672,1086 3.249,1087 5.079,1088 3.279,1089 3.003,1090 3.019,1091 3.393,1092 2.895,1093 4.694,1094 2.869,1095 2.931,1096 2.956,1097 3.377,1098 2.832,1099 4.534,1100 2.825,1101 2.762,1102 2.815,1103 2.94,1104 2.53,1105 4.427,1106 2.545,1107 2.453,1108 2.545,1109 2.627,1110 2.258,1111 4.048,1112 2.229,1113 2.389,1114 2.46,1115 2.421,1116 2.098,1117 3.534,1118 2.109,1119 0.221,1120 0.183,1121 0.337,1122 0.206,1123 0.161,1124 4.633,1125 0.205,1126 3.837,1127 0.113,1128 7.083,1129 0.582,1130 4.336,1131 0.155,1132 3.371,1133 4.302,1134 2.375,1135 12.223,1136 3.257,1137 1.957,1138 1.943,1139 2.004,1140 2.041,1141 1.382,1142 2.04,1143 1.615,1144 1.581,1145 1.789,1146 1.75,1147 1.04,1148 1.764,1149 1.485,1150 1.451,1151 1.606,1152 1.6,1153 0.802,1154 1.617,1155 1.14,1156 1.114,1157 1.33,1158 1.411,1159 0.509,1160 1.388,1161 0.836,1162 0.839,1163 0.956,1164 1.112,1165 0.066,1166 1.075,1167 0.703,1168 0.663,1169 0.823,1170 0.823,1172 0.861,1173 0.381,1174 0.328,1175 0.688,1176 0.672,1178 0.696,1179 0.119,1181 0.541,1182 0.48,1184 0.55,1185 3.761,1186 5.142,1187 2.398,1188 6.727,1189 4.595,1190 8.42,1191 6.629,1192 10.175,1195 18.478,1199 9.333,1200 0.703,1201 2.99,1204 -0.777,1209 21.094,1210 52.802,1211 113.007,1212 132.127,1213 138.881,1214 138.881,1215 138.881,1216 40.202,1217 6.821,1218 49.33,1219 49.33,1220 17,1221 12.597,1222 3.17,1223 2.585,1224 27.429,1225 47,1226 36,1227 0.328,1228 138.439,1229 246.49,1230 329.551,1231 6596,1232 10.3,1233 13.732,1234 0.723,1235 0.628,1236 15.232,1237 11.928,1238 9.003,1239 0.429,1240 0.332,1241 5.881,1242 7.963,1243 5.692,1244 4.594,1245 9.869,1246 6.972,1247 8.693,1248 0.272,1249 0.186,1250 9.768,1251 5.949,1252 7.543,1253 0.164,1254 0.105,1255 8.816,1256 4.848,1257 6.504,1258 0.1,1259 0.057,1260 7.54,1261 3.714,1262 5.362,1263 0.062,1264 0.031,1265 6.36,1266 2.654,1267 0.471,1268 65.107,1269 0.274,1270 17.947,1271 1.052,1272 106,1273 334.828,1274 159.04,1275 412.153,1276 520.93,1277 378,1278 131,1279 303.227,1280 178.314,1281 335.391,1282 500.74,1283 316,1284 4}
{0 CHEMBL1481974,1 1.51,2 7.348,3 1.01,4 1.021,5 80.916,6 9.037,7 0.24,8 3.717,9 3.765,10 3.394,11 3.234,12 5.105,13 3.28,14 4.158,15 4.226,16 3.809,17 3.624,18 5.617,19 3.662,20 4.484,21 4.576,22 3.989,23 3.767,24 6.052,25 3.809,26 4.527,27 4.634,28 3.871,29 3.77,30 5.926,31 3.784,32 4.506,33 4.654,34 3.8,35 3.771,36 5.74,37 3.754,38 4.521,39 4.661,40 3.836,41 3.646,42 5.994,43 3.673,44 4.481,45 4.613,46 3.69,47 3.323,48 6.207,49 3.408,50 4.148,51 4.312,52 3.157,53 2.716,54 6.051,55 2.806,56 0.292,57 0.426,58 5.064,59 3.366,60 48.86,61 2.789,62 0.42,63 0.675,64 7.897,65 5.424,66 72.323,67 5.224,68 0.945,69 0.879,70 14.436,71 7.051,72 143.813,73 6.792,74 0.979,75 0.915,76 15.837,77 7.354,78 135.079,79 6.745,80 0.706,81 0.936,82 16.184,83 7.756,84 104.847,85 8.421,86 0.828,87 0.908,88 16.95,89 7.434,90 133.497,91 7.872,92 1.25,93 0.787,94 18.976,95 6.259,96 200.186,97 5.817,98 1.158,99 0.525,100 16.54,101 4.204,102 210.212,103 4.137,104 40,105 37,106 0.275,107 0.691,108 0.82,109 0.903,110 0.913,111 0.913,112 3.19,113 0.809,114 -1.62,115 -1.69,116 -1.72,118 45.7,120 2,128 2,129 2,130 2,131 2,132 1,133 3,140 1,142 1,151 1,153 1,154 8,155 1,157 4,160 1,162 2,164 8,165 1,169 5,172 3,173 1,174 6,176 8,177 1,179 1,180 5,183 1,185 6,187 7,188 2,192 4,196 7,199 4,200 2,204 4,205 1,208 1,209 8,212 1,213 2,216 1,217 4,220 2,221 1,222 6,223 2,230 1,231 1,232 3,233 2,234 1,235 1,241 1,245 2,246 1,253 653,254 14.983,255 14.983,256 14.983,257 14.983,258 14.983,259 13.176,260 14.091,261 8.476,262 15.138,263 12.251,264 12.251,265 12.251,266 12.251,267 12.251,268 9.405,269 14.743,270 3.982,271 12.575,272 3.619,273 1.336,274 0.629,275 0.171,276 0.114,277 0.114,278 3.863,281 1,282 1,283 353,284 3.082,286 130.699,289 147.275,291 0.972,292 49.475,295 1,296 1,297 1,298 0.4,300 1,301 1,302 0.77,303 53,304 169,305 4.701,306 3.665,307 6.982,308 4.303,309 3.332,310 4.348,311 2.341,312 11.856,313 3.237,314 4.325,315 3.596,316 6.497,317 3.904,318 2.93,319 3.9,320 0.86,321 9.955,322 2.851,323 3.963,324 3.406,325 6.095,326 3.582,327 2.6,328 3.324,330 8.565,331 2.54,332 3.535,333 2.976,334 5.479,335 3.199,336 2.196,337 2.705,339 6.534,340 2.178,341 3.37,342 2.616,343 5.157,344 3.008,345 2.014,346 2.611,348 5.885,349 1.992,350 3.345,351 2.311,352 4.652,353 2.899,354 1.956,355 2.494,357 5.124,358 1.824,359 3.022,360 1.815,361 4.496,362 2.519,363 1.547,364 2.171,365 4.144,366 1.494,367 2.604,368 1.611,369 4.049,370 2.228,371 1.244,372 1.526,373 3.183,374 1.217,375 1.897,376 1.377,377 3.408,378 1.574,379 0.655,380 0.71,382 1.627,383 0.59,384 1.807,385 0.977,386 2.968,387 1.322,388 0.34,389 0.439,391 0.759,392 0.327,393 1.459,394 0.796,395 2.864,396 1.111,397 0.177,398 0.219,400 0.391,401 0.161,402 1.095,403 0.48,404 2.761,405 0.743,406 -0.197,407 -0.249,409 -0.548,410 -0.184,411 0.919,412 0.192,413 2.556,414 0.652,415 -0.329,416 -0.387,418 -0.847,419 -0.318,420 0.462,421 0.075,422 2.254,423 0.017,424 -1,425 -1.177,427 -2,428 -0.917,429 0.296,430 -0.464,431 2,432 -0.043,433 -1,434 -1.203,436 -2.683,437 -0.949,438 10.333,439 0.449,440 0.775,441 0.034,442 29.5,443 1.283,444 15,445 0.652,446 14.5,447 0.63,448 17.191,449 0.747,450 25.067,451 0.716,452 24.422,453 1.062,454 6.123,455 0.266,456 4.774,457 0.208,458 0.194,460 0.484,462 0.946,463 0.848,464 0.731,465 0.819,466 0.888,467 0.716,468 0.629,469 1.129,470 0.607,471 1.111,472 0.547,473 0.927,474 0.808,475 0.979,476 0.82,477 0.976,478 0.788,479 0.925,480 1.048,481 0.978,482 1.144,483 0.994,484 0.946,485 1.078,486 0.76,487 1.114,488 0.934,489 1.13,490 0.645,491 1.119,492 0.907,493 1.267,494 0.924,495 1.259,496 0.898,497 1.148,498 1.35,499 1.094,500 1.216,501 1.081,502 1.507,503 1.084,504 1.438,505 0.761,506 1.329,507 0.765,508 1.598,509 0.926,510 5,512 3.778,513 1.938,514 2.044,515 1.174,516 0.855,517 0.542,518 0.221,520 4485,521 18771,522 1.991,523 34.3,524 2,525 4,528 4,529 2,531 1.668,532 1.792,533 2.885,534 1.865,536 1,538 1,540 52.854,541 1.51,542 3.793,543 4.501,544 4.958,545 5.015,546 5.015,547 2.142,548 3.741,549 4.493,550 3.007,551 760.808,552 7.796,553 8373.44,554 1,555 1,558 179.525,559 1.55,560 4.413,561 0.2,563 0.102,564 0.046,565 0.055,566 0.034,567 0.025,568 0.021,569 0.017,571 0.5,572 0.33,573 1,574 1.292,575 103.858,576 -0.193,577 0.204,578 -0.074,579 0.21,580 -0.183,581 0.15,582 0.051,583 -0.091,584 0.087,585 -0.082,586 0.08,587 -0.01,588 0.092,589 0.021,590 0.037,591 0.015,592 0.052,593 0.004,594 -0.134,595 0.013,596 -0.258,597 -0.01,598 -0.145,599 -0.138,600 -0.05,601 -0.127,602 -0.023,603 -0.121,604 -0.023,605 -0.078,606 -0.035,607 -0.302,608 0.05,609 -0.282,610 -0.024,611 -0.137,612 -0.093,613 -0.169,614 -0.089,615 -0.166,616 -0.153,617 -0.137,618 0.016,619 0.126,620 -0.012,621 0.119,622 0.039,623 0.064,624 2.681,625 4.582,626 0.609,627 16.408,628 1.046,629 1.113,630 0.391,631 0.153,632 0.679,633 3.258,634 3.638,635 3.951,636 4.234,637 4.575,638 4.771,639 4.92,640 5.004,641 5.069,642 4.905,643 4.735,644 0.69,645 316.28,646 3.258,647 4.828,648 5.707,649 6.616,650 7.523,651 8.443,652 9.362,653 10.286,654 11.21,655 12.137,667 2,672 4,674 6,685 2,686 1,688 35,689 11,690 1,691 25,693 37,694 16,695 6,696 4,697 2,698 7,700 3,701 6,708 2,710 14,711 2,714 5,717 2,718 2,719 6,721 1,722 1,725 12,726 7,727 4,728 7,734 0.333,735 7,744 3,747 2,749 1,751 1,752 4,753 2,755 2,757 1,765 23,768 4,769 2,771 1,782 20,784 4,785 2,787 1,789 12.833,790 6.133,791 4.972,792 1.922,794 2.54,795 1.352,796 0.884,797 3.814,798 9.752,799 3.526,800 4.151,801 4.734,802 5.285,803 5.897,804 6.319,805 6.721,806 7.093,807 7.442,808 7.571,809 0.8,810 42,811 8.579,813 3.959,814 8.507,815 15.131,817 12.601,819 3.007,820 69.167,823 94.169,824 69.061,827 232.023,830 69.061,831 326.192,834 5.069,835 37.905,836 232.31,837 25.8,839 94.169,841 94.169,842 69.061,843 232.023,846 94.169,847 232.023,849 5.069,850 39.796,851 24.196,853 94.169,854 232.023,855 69.061,858 94.169,859 31.156,860 37.905,862 232.023,863 94.169,864 232.023,865 69.061,867 0.599,868 0.352,869 0.181,870 0.112,871 19,872 10,873 0.081,874 3,875 2,876 1.286,877 3.257,878 195.329,879 0.286,880 14,881 104.042,884 15.491,885 5.663,886 2.57,888 232.023,889 2.734,894 -0.704,896 170.733,897 395.253,898 33,901 22.457,902 2.588,903 -1.602,905 36.593,906 38.957,907 0.294,908 0.74,909 0.877,910 0.967,911 0.978,912 0.978,913 4.808,914 1.244,915 5.74,916 4.144,917 4.317,918 4.836,919 2.402,920 6.627,921 4.263,922 6.062,923 0.655,924 7.358,925 3.183,926 4.111,927 4.844,928 2.243,929 7.689,930 4.025,931 7.413,932 0.34,933 9.076,934 1.627,935 5.989,936 7.067,937 3.657,938 10.834,939 5.885,940 8.797,941 0.177,942 10.851,943 0.759,944 6.553,945 7.836,946 4.112,947 12.69,948 6.41,949 10.211,950 -0.197,951 12.66,952 0.391,953 7.967,954 9.594,955 5.206,956 15.389,957 7.809,958 11.645,959 -0.329,960 14.493,961 -0.548,962 8.872,963 10.714,964 5.889,965 17.579,966 8.673,967 13.098,968 -1,969 16.344,970 -0.847,971 10.125,972 12.292,973 6.849,974 20.122,975 9.907,976 3.332,977 -1,978 18.209,979 -2,980 11.184,981 13.581,982 7.625,983 22.46,984 10.928,985 2.93,986 11.856,987 20.084,988 -2.683,989 12.382,990 15.085,991 8.526,992 24.946,993 12.104,994 2.6,995 9.955,996 21.967,997 4.348,998 13.51,999 16.456,1000 9.342,1001 27.35,1002 13.197,1003 2.196,1004 8.565,1005 23.858,1006 3.9,1007 14.694,1008 17.929,1009 10.216,1010 29.818,1011 14.354,1012 2.014,1013 6.534,1014 25.755,1015 3.324,1016 15.854,1017 19.341,1018 11.051,1019 32.253,1020 15.482,1021 1.956,1022 5.885,1023 27.657,1024 2.705,1025 17.036,1026 20.802,1027 11.912,1028 34.717,1029 16.636,1030 1.547,1031 5.124,1032 29.563,1033 2.611,1034 18.212,1035 22.236,1036 12.755,1037 37.168,1038 17.781,1039 4557,1040 9389,1041 15.838,1042 23.75,1043 39.016,1044 40.388,1045 40.368,1046 38.002,1047 37.981,1048 48.898,1049 6.402,1050 116.043,1051 36.822,1052 5.589,1053 5.665,1054 6.29,1055 5.4,1056 5.332,1057 7.348,1058 3.925,1059 19.605,1060 5.237,1061 14.359,1062 1.561,1063 1.616,1064 1.615,1065 1.52,1066 1.519,1067 1.956,1068 0.256,1069 4.642,1070 1.473,1071 4.054,1072 4.057,1073 4.027,1074 3.978,1075 7.474,1076 3.988,1077 3.756,1078 3.763,1079 3.719,1080 3.664,1081 7.43,1082 3.674,1083 3.616,1084 3.639,1085 3.527,1086 3.436,1087 6.53,1088 3.448,1089 3.233,1090 3.224,1091 3.194,1092 3.029,1093 6.46,1094 3.066,1095 3.11,1096 3.123,1097 3.035,1098 2.924,1099 6.401,1100 2.946,1101 2.927,1102 2.95,1103 2.821,1104 2.718,1105 6.351,1106 2.737,1107 2.845,1108 2.869,1109 2.701,1110 2.535,1111 4.798,1112 2.573,1113 2.685,1114 2.683,1115 2.62,1116 2.444,1117 4.293,1118 2.482,1119 0.188,1120 0.147,1121 0.279,1122 0.172,1123 0.133,1124 4.701,1125 0.174,1126 3.665,1127 0.094,1128 6.982,1129 0.474,1130 4.303,1131 0.129,1132 3.332,1133 4.348,1134 2.341,1135 11.856,1136 3.237,1137 1.994,1138 1.989,1139 2.058,1140 2.086,1141 1.287,1142 2.074,1143 1.716,1144 1.706,1145 1.809,1146 1.835,1147 0.978,1148 1.822,1149 1.556,1150 1.524,1151 1.753,1152 1.768,1153 0.872,1154 1.756,1155 1.105,1156 1.105,1157 1.24,1158 1.357,1159 0.337,1160 1.306,1161 1.023,1162 1.007,1163 1.172,1164 1.261,1165 0.187,1166 1.235,1167 0.836,1168 0.811,1169 1.04,1170 1.126,1171 0.021,1172 1.098,1173 0.699,1174 0.674,1175 0.944,1176 1.076,1178 1.031,1179 0.545,1180 0.538,1181 0.75,1182 0.887,1184 0.83,1185 3.932,1186 5.293,1188 6.864,1190 8.541,1192 10.278,1199 38.371,1200 -0.087,1202 5.409,1209 24.164,1210 52.854,1211 132.77,1212 157.525,1213 173.525,1214 175.525,1215 175.525,1216 66.302,1217 7.212,1218 128.2,1219 128.2,1220 18,1221 12.642,1222 3.585,1223 3.17,1224 36.363,1225 65,1226 66,1227 0.289,1228 146.622,1229 277.79,1230 349.518,1231 11226,1233 16.723,1234 0.727,1235 0.51,1236 16.723,1237 11.737,1238 10.897,1239 0.436,1240 0.27,1241 6.623,1242 10.379,1243 6.545,1244 5.339,1245 10.897,1246 6.739,1247 10.354,1248 0.28,1249 0.137,1250 10.354,1251 5.073,1252 8.878,1253 0.174,1254 0.072,1255 8.878,1256 3.648,1257 6.916,1258 0.102,1259 0.037,1260 6.916,1261 2.544,1262 6.059,1263 0.063,1264 0.019,1265 6.059,1266 1.847,1267 0.426,1268 69.661,1269 0.251,1270 21.66,1271 0.888,1272 124,1273 479.805,1274 141.05,1275 449.521,1276 587.82,1277 412,1278 150,1279 416.667,1280 167.053,1281 414.084,1282 611.7,1283 390,1284 5.4}
{0 CHEMBL14830,1 2.091,2 10.259,3 -3.641,4 13.255,5 85.511,6 10.172,7 0.345,8 3.931,9 4.008,10 3.993,11 3.311,12 5.186,13 3.346,14 4.501,15 4.573,16 4.266,17 3.701,18 6.307,19 3.719,20 4.682,21 4.814,22 4.296,23 3.778,24 6.08,25 3.79,26 4.789,27 4.931,28 4.226,29 3.773,30 6.515,31 3.783,32 4.716,33 4.891,34 4.044,35 3.732,36 6.093,37 3.687,38 4.616,39 4.773,40 4.061,41 3.63,42 6.123,43 3.621,44 4.598,45 4.754,46 4.018,47 3.559,48 6.225,49 3.51,50 4.416,51 4.574,52 3.902,53 3.399,54 6.058,55 3.364,56 0.769,57 0.587,58 10.995,59 4.468,60 98.66,61 2.812,62 1.593,63 0.879,64 17.931,65 7.803,66 181.066,67 5.432,68 1.828,69 0.95,70 24.758,71 8.311,72 207.921,73 6.966,74 2.152,75 0.938,76 28.026,77 8.537,78 278.007,79 7.933,80 1.878,81 0.869,82 28.093,83 8.456,84 207.113,85 7.963,86 1.677,87 0.769,88 26.309,89 7.771,90 215.487,91 7.167,92 1.823,93 0.699,94 24.357,95 7.41,96 220.103,97 6.523,98 1.456,99 0.584,100 23.689,101 6.258,102 207.503,103 5.501,104 70,105 45,106 0.369,107 0.735,108 0.849,109 0.897,110 0.917,111 0.917,112 3.34,113 1.055,114 -1.3,115 -1.39,116 -1.45,118 23.8,123 1,124 3,125 1,134 1,135 1,136 1,144 1,145 1,147 1,148 1,149 1,151 5,153 3,156 8,159 1,160 8,161 1,166 1,168 3,170 3,171 1,172 4,173 1,175 3,179 5,181 1,182 2,183 9,184 2,191 3,194 4,197 1,203 1,205 2,206 1,207 5,208 1,210 1,216 5,220 6,221 2,223 1,224 1,231 3,232 2,233 3,235 1,236 1,241 6,244 1,245 6,246 2,253 1042,254 16.878,255 16.878,256 16.878,257 16.878,258 16.878,259 15.31,260 13.425,261 9.349,262 17.375,263 14.267,264 14.267,265 14.267,266 14.267,267 14.267,268 11.804,269 15.015,270 4.406,271 15.179,272 3.301,273 1.223,274 0.578,275 0.304,276 0.19,277 0.19,278 4.006,283 579,284 4.359,285 137.664,286 75.669,288 114.315,291 1.731,292 64.163,295 0.5,296 0.67,297 0.67,298 0.6,299 0.5,300 0.5,301 0.5,302 0.56,303 65.833,304 277,305 4.642,306 3.59,307 6.926,308 4.344,309 3.35,310 4.581,311 1.041,312 11.628,313 3.335,314 4.595,315 3.362,316 6.893,317 4.219,318 3.293,319 3.949,321 11.581,322 3.042,323 4.179,324 3.129,325 6.529,326 3.944,327 3.003,328 3.49,330 10.118,331 2.847,332 4.126,333 2.874,334 6.169,335 3.836,336 2.842,337 3.323,339 9.235,340 2.793,341 3.66,342 2.589,343 5.89,344 3.313,345 2.387,346 2.918,348 7.928,349 2.202,350 3.058,351 2.241,352 5.236,353 2.826,354 1.9,355 2.324,357 5.87,358 1.75,359 3.029,360 1.969,361 4.786,362 2.483,363 1.591,364 2.11,365 4.713,366 1.415,367 2.731,368 1.549,369 4.144,370 2.444,371 1.542,372 1.76,373 3.671,374 1.386,375 2.413,376 1.365,377 4.069,378 1.945,379 1.04,380 1.386,382 2.926,383 0.937,384 2.101,385 1.232,386 3.669,387 1.667,388 0.773,389 0.995,391 1.834,392 0.689,393 1.756,394 0.883,395 3.305,396 1.564,397 0.705,398 0.727,400 1.74,401 0.6,402 1.099,403 0.58,404 3.128,405 0.835,406 -0.026,407 -0.028,409 -0.063,410 -0.022,411 1,412 -0.153,413 2.74,414 0.656,415 -0.303,416 -0.349,418 -0.718,419 -0.279,420 0.978,421 -0.316,422 2.562,423 0.575,424 -0.351,425 -0.417,427 -1.181,428 -0.34,429 0.626,430 -0.459,431 2.367,432 0.184,433 -0.733,434 -0.823,436 -2.062,437 -0.665,438 12.333,439 0.457,440 1.188,441 0.044,442 31.75,443 1.176,444 11.5,445 0.426,446 20.25,447 0.75,448 23.573,449 0.873,450 32.667,451 0.778,452 28.623,453 1.06,454 6.113,455 0.226,456 6.371,457 0.236,458 0.222,459 0.162,460 0.316,462 1.341,463 1.889,464 0.787,465 1.867,466 1.183,467 0.97,468 0.596,469 0.978,470 0.752,471 0.759,472 0.498,473 0.879,474 1.083,475 1.265,476 0.925,477 1.15,478 0.94,479 1.094,480 0.821,481 0.887,482 0.961,483 0.837,484 0.706,485 1.026,486 0.974,487 0.9,488 1.003,489 0.817,490 0.946,491 1.025,492 0.991,493 1.099,494 1.02,495 1.101,496 0.969,497 1.102,498 0.947,499 0.807,500 1.015,501 0.808,502 1.007,503 1.016,504 1.124,505 1.233,506 1.188,507 1.328,508 1.135,509 1.147,510 8.5,511 0.207,512 4,513 3.299,514 1.673,515 0.976,516 0.899,517 0.554,518 0.412,519 0.24,520 8073,521 39009,522 1.933,523 35.7,525 5,526 1,527 2,528 7,531 1.701,532 1.723,533 3.313,534 4.646,540 87.826,541 2.091,542 4.169,543 4.815,544 5.089,545 5.202,546 5.202,547 2.75,548 4.134,549 4.727,550 3.535,551 1240.76,552 8.207,553 15798.1,558 226.477,559 1.846,560 4.616,561 0.293,562 0.012,563 0.089,564 0.079,565 0.04,566 0.029,567 0.026,568 0.018,569 0.016,570 0.011,571 0.613,572 0.17,573 0.75,574 1.577,575 133.396,576 -0.508,577 -0.457,578 0.238,579 -0.351,580 -0.397,581 0.052,582 0.378,583 0.19,584 0.003,585 0.151,586 0.347,587 -0.008,588 -0.165,589 -0.189,590 -0.011,591 -0.151,592 -0.134,593 -0.106,594 0.145,595 0.074,596 -0.09,597 -0.016,598 0.22,599 -0.078,600 -0.063,601 0.038,602 -0.076,603 0.033,604 -0.108,605 -0.008,606 -0.056,607 -0.121,608 -0.053,609 -0.138,610 -0.052,611 -0.079,612 0.075,613 0.081,614 -0.038,615 0.087,616 -0.008,617 -0.053,618 -0.115,619 -0.285,620 -0.072,621 -0.182,622 -0.047,623 -0.123,624 6.094,625 4.47,626 0.519,627 23.726,628 1.072,629 1.155,630 0.069,631 0.005,632 0.655,633 3.401,634 3.829,635 4.025,636 4.331,637 4.431,638 4.575,639 4.727,640 4.868,641 4.86,642 4.86,643 6.336,644 0.649,645 427.24,646 3.401,647 5.004,648 5.855,649 6.786,650 7.656,651 8.587,652 9.468,653 10.398,654 11.286,655 12.215,656 11.9,658 1,661 1,663 3,666 2,667 2,668 3,672 1,673 1,674 10,682 1,688 42,689 12,691 29,693 44,694 10,695 5,700 3,701 4,705 3,708 3,710 5,711 5,714 2,717 2,720 2,725 15,726 14,727 7,728 17,729 2,731 1,732 5,734 0.667,735 10,737 2,739 1,740 2,741 2,742 1,743 2,744 1,746 1,755 5,756 1,757 2,765 27,766 1,768 5,769 1,771 3,773 4,782 23.8,783 5,785 2,786 3,789 15.667,790 6.617,791 5.569,792 1.856,793 2,794 2.133,795 1.292,796 0.873,797 5.599,798 9.433,799 3.611,800 4.252,801 4.69,802 5.292,803 5.677,804 6.026,805 6.39,806 6.744,807 6.703,808 6.849,809 0.857,810 42,811 12.696,813 7.741,814 8.72,815 17.587,817 14.834,819 3.22,820 86.944,823 107.166,824 28.017,825 85.153,827 258.054,829 12.997,830 28.017,831 352.222,832 85.153,834 4.592,835 229.659,836 158.521,837 12.662,838 14.099,839 58.856,841 94.169,842 113.17,843 258.054,844 12.997,846 94.169,847 40.526,848 217.527,849 27.588,850 35.225,851 63.353,853 94.169,854 343.206,855 28.017,856 12.997,857 12.997,858 94.169,859 10.78,860 19.136,862 341.307,863 94.169,864 343.206,865 41.014,867 0.614,868 0.329,869 0.177,870 0.082,871 23,872 12,873 0.136,874 6,875 1,876 1.143,877 3.659,878 232.68,879 0.143,880 14,881 126.382,884 20.575,885 7.348,886 4.472,887 0.44,888 341.307,889 2.406,890 11.725,894 0.086,895 1.27,896 229.659,897 478.389,898 36,901 22.096,904 -10.419,905 45.033,906 48.524,907 0.388,908 0.773,909 0.893,910 0.944,911 0.965,912 0.965,913 4.931,914 1.542,915 5.958,916 4.713,917 4.511,918 4.938,919 1.153,920 6.88,921 4.393,922 6.208,923 1.04,924 7.603,925 3.671,926 4.575,927 5.173,929 8.22,930 4.468,931 7.592,932 0.773,933 9.353,934 2.926,935 6.312,936 7.222,937 1.208,938 11.2,939 6.12,940 9.006,941 0.705,942 11.158,943 1.834,944 7.074,945 8.174,947 13.217,948 6.889,949 10.446,950 -0.026,951 12.995,952 1.74,953 8.423,954 9.848,955 1.265,956 15.825,957 8.177,958 11.904,959 -0.303,960 14.852,961 -0.063,962 9.44,963 11.091,965 18.086,966 9.187,967 13.374,968 -0.351,969 16.723,970 -0.718,971 10.67,972 12.645,973 1.324,974 20.579,975 10.374,976 3.35,977 -0.733,978 18.603,979 -1.181,980 11.786,981 14.021,983 22.939,984 11.473,985 3.293,986 11.628,987 20.49,988 -2.062,989 12.979,990 15.535,991 1.383,992 25.394,993 12.635,994 3.003,995 11.581,996 22.383,997 4.581,998 14.134,999 16.976,1001 27.798,1002 13.771,1003 2.842,1004 10.118,1005 24.281,1006 3.949,1007 15.318,1008 18.48,1009 1.444,1010 30.241,1011 14.931,1012 2.387,1013 9.235,1014 26.183,1015 3.49,1016 16.49,1017 19.955,1019 32.665,1020 16.085,1021 1.9,1022 7.928,1023 28.088,1024 3.323,1025 17.675,1026 21.459,1027 1.506,1028 35.107,1029 17.25,1030 1.591,1031 5.87,1032 29.995,1033 2.918,1034 18.856,1035 22.952,1037 37.541,1038 18.415,1039 8088,1040 17937,1041 17.8,1042 27.506,1043 45.27,1044 46.505,1045 47.005,1046 44.686,1047 44.852,1048 55.125,1049 2.082,1050 142.489,1051 41.99,1052 5.616,1053 5.59,1054 6.455,1055 5.46,1056 5.35,1057 7.581,1058 2.082,1059 19.337,1060 5.246,1061 18.784,1062 1.561,1063 1.604,1064 1.621,1065 1.541,1066 1.547,1067 1.901,1068 0.072,1069 4.913,1070 1.448,1071 4.104,1072 4.155,1073 4.585,1074 3.958,1075 7.484,1076 3.943,1077 3.827,1078 3.838,1079 4.179,1080 3.893,1081 7.424,1082 3.652,1083 3.708,1084 3.677,1085 4.078,1086 3.621,1087 6.495,1088 3.52,1089 3.407,1090 3.437,1091 3.707,1092 3.52,1093 6.437,1094 3.191,1095 3.308,1096 3.336,1097 3.264,1098 3.08,1099 6.4,1100 3.083,1101 3.064,1102 3.11,1103 2.966,1104 2.857,1105 6.346,1106 2.836,1107 2.989,1108 3.092,1109 2.878,1110 2.679,1111 6.23,1112 2.714,1113 2.768,1114 2.818,1115 2.613,1116 2.377,1117 5.271,1118 2.416,1119 0.16,1120 0.124,1121 0.239,1122 0.15,1123 0.116,1124 4.642,1125 0.158,1126 3.59,1127 0.036,1128 6.926,1129 0.401,1130 4.344,1131 0.115,1132 3.35,1133 4.581,1134 1.041,1135 11.628,1136 3.335,1137 1.797,1138 1.751,1139 1.849,1140 2.008,1141 1.171,1142 1.965,1143 1.621,1144 1.607,1145 1.776,1146 1.824,1147 0.996,1148 1.827,1149 1.534,1150 1.512,1151 1.65,1152 1.785,1153 0.755,1154 1.762,1155 1.426,1156 1.422,1157 1.349,1158 1.535,1159 0.478,1160 1.65,1161 1.164,1162 1.154,1163 1.148,1164 1.423,1165 0.365,1166 1.434,1167 1.039,1168 1.018,1169 1.079,1170 1.248,1171 0.151,1172 1.305,1173 0.811,1174 0.739,1175 0.942,1176 1.219,1178 1.211,1179 0.786,1180 0.66,1181 0.91,1182 1.073,1184 1.078,1185 4.078,1186 5.476,1187 3.045,1188 7.033,1189 5.476,1190 8.661,1191 7.627,1192 10.331,1198 5.667,1199 46.637,1200 -0.813,1202 13.456,1204 -5.606,1209 27.263,1210 87.826,1211 175.093,1212 202.213,1213 213.722,1214 218.477,1215 218.477,1216 79.163,1217 7.3,1218 232.6,1219 252.22,1220 16,1221 12.726,1222 3.7,1223 3,1224 47.027,1225 104,1226 88,1227 0.228,1228 174.596,1229 294.68,1230 417.774,1231 13417,1233 19.983,1234 0.74,1235 0.555,1236 20.483,1237 14.998,1238 12.484,1239 0.43,1240 0.352,1241 7.162,1242 10.145,1243 6.927,1244 5.601,1245 14.264,1246 10.197,1247 13.295,1248 0.295,1249 0.184,1250 16.004,1251 8.295,1252 9.435,1253 0.172,1254 0.105,1255 11.107,1256 5.762,1257 8.33,1258 0.111,1259 0.054,1260 10.523,1261 4.078,1262 5.594,1263 0.067,1264 0.026,1265 6.336,1266 2.136,1267 0.356,1268 99.146,1269 0.237,1270 25.73,1271 0.633,1272 148,1273 660.544,1274 251.571,1275 625.482,1276 813.53,1277 570,1278 174,1279 517.606,1280 298.654,1281 574.955,1282 862.24,1283 535,1284 6.569}
{0 CHEMBL1490321,1 1.412,2 5.944,3 3.051,4 9.31,5 73.085,6 6.952,7 0.3,8 3.649,9 3.764,10 3.156,11 3.23,12 4.709,13 3.19,14 4.215,15 4.38,16 3.575,17 3.687,18 5.292,19 3.619,20 4.528,21 4.719,22 3.667,23 3.87,24 5.518,25 3.769,26 4.667,27 4.904,28 3.647,29 3.871,30 5.621,31 3.767,32 4.574,33 4.786,34 3.468,35 3.743,36 5.673,37 3.622,38 4.483,39 4.772,40 3.048,41 3.461,42 5.462,43 3.281,44 4.131,45 4.418,46 2.133,47 2.935,48 5.103,49 2.676,50 3.501,51 3.923,52 1.436,53 2.033,54 4.138,55 1.704,56 0.036,57 0.477,58 7.756,59 3.527,60 7.389,61 4.617,62 0.154,63 0.819,64 14.318,65 6.219,66 34.557,67 8.496,68 0.218,69 1.084,70 20.272,71 8.207,72 34.973,73 11.351,74 0.238,75 1.187,76 24.443,77 8.773,78 37.557,79 12.335,80 0.191,81 1.026,82 22.14,83 8.471,84 42.057,85 11.36,86 0.208,87 0.883,88 21.228,89 7.563,90 44.167,91 10.724,92 0.242,93 0.569,94 15.441,95 5.115,96 46.556,97 7.026,98 0.086,99 0.28,100 8.567,101 2.737,102 16.111,103 4.282,104 18,105 30,106 0.262,107 0.65,108 0.816,109 0.848,110 0.89,111 0.89,112 2.964,113 0.952,114 -3.93,115 -3.89,116 -3.69,118 42.9,119 2,120 1,121 2,124 1,128 2,131 2,132 3,133 1,142 1,151 1,153 1,154 12,160 1,162 3,163 1,164 15,165 1,169 1,172 1,173 1,174 6,176 12,177 2,180 2,185 5,187 11,188 4,192 4,196 5,199 10,200 3,204 3,209 3,212 6,213 1,217 1,222 1,226 1,230 1,234 1,253 248,254 11.861,255 11.861,256 11.861,257 11.861,258 11.861,259 10.667,260 17.532,261 6.734,262 11.912,263 9.861,264 9.861,265 9.861,266 9.861,267 9.861,268 8.054,269 25.605,270 3.166,271 9.956,272 3.717,273 1.623,274 0.729,275 0.557,276 0.329,277 0.329,278 3.633,280 1,281 1,282 1,283 227,284 2.55,285 26.058,286 62.976,288 46.938,289 53.816,291 0.957,292 18.339,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 38.5,304 107,305 4.535,306 3.817,307 6.943,308 4.297,309 3.309,310 4.142,311 2.375,312 11.739,313 3.27,314 4.024,315 3.413,316 6.307,317 3.776,318 2.781,319 3.237,320 0.68,321 9.373,322 2.763,323 3.66,324 2.856,325 5.807,326 3.412,327 2.422,328 2.849,329 0.458,330 7.726,331 2.387,332 3.445,333 2.394,334 5.014,335 3.089,336 2.097,337 2.75,339 5.914,340 2.079,341 3.13,342 2.215,343 4.92,344 2.785,345 1.784,346 2.286,348 5.115,349 1.781,350 2.727,351 1.925,352 4.179,353 2.307,354 1.318,355 1.642,357 3.364,358 1.288,359 2.298,360 1.369,361 3.519,362 1.995,363 1.006,364 1.197,365 2.348,366 0.994,367 1.79,368 1.007,369 3.48,370 1.639,371 0.657,372 0.72,373 1.792,374 0.643,375 1.339,376 0.626,377 2.974,378 1.056,379 0.071,380 0.084,382 0.192,383 0.07,384 0.88,385 0.292,386 2.684,387 0.549,388 -0.45,389 -0.562,391 -1.167,392 -0.449,393 0.498,394 -0.156,395 2.439,396 0.199,397 -0.798,398 -0.892,400 -2,401 -0.782,402 0.334,403 -0.36,404 2.069,405 0.115,406 -0.868,407 -0.982,409 -2.119,410 -0.85,411 0.286,412 -0.534,413 1.768,414 -0.013,415 -1,416 -1.339,418 -2.465,419 -0.974,420 -0.157,421 -1.048,422 1.501,423 -0.42,424 -1.412,425 -1.616,427 -3.934,428 -1.415,429 -0.236,430 -1.284,431 1.485,432 -0.53,433 -1.526,434 -1.822,436 -4.231,437 -1.523,438 8.567,439 0.476,440 0.597,441 0.033,442 20,443 1.111,444 9,445 0.5,446 11,447 0.611,448 15.926,449 0.885,450 19.633,451 0.561,452 12.758,453 0.709,454 3.764,455 0.209,456 4.812,457 0.267,458 0.195,460 0.467,462 0.794,463 1.068,464 0.863,465 0.978,466 0.724,467 0.933,468 0.396,469 1.09,470 0.789,471 0.995,472 0.342,473 0.952,474 0.657,475 1.227,476 1.036,477 1.166,478 0.718,479 1.158,480 1.016,481 0.943,482 0.987,483 0.923,484 0.906,485 0.933,486 1.219,487 1.197,488 1.181,489 1.252,490 1.242,491 1.221,492 0.959,493 0.906,494 0.943,495 0.971,496 0.923,497 0.957,498 1.666,499 0.967,500 1.353,501 1.06,502 1.817,503 1.161,504 0.373,505 0.323,506 0.209,507 0.329,508 0.368,509 0.26,510 4,512 2.444,513 1.368,514 1.675,515 0.917,516 0.297,517 0.118,520 2315,521 5725,522 2.053,523 48.6,524 9,525 5,528 2,530 1,531 1.597,532 1.862,533 2.603,534 0.32,536 1,538 1,540 49.435,541 1.412,542 3.506,543 4.4,544 4.572,545 4.8,546 4.8,547 2.177,548 3.419,549 4.145,550 2.692,551 411.848,552 7.084,553 3747.41,554 1,555 1,557 1,558 179.525,559 1.53,560 4.071,561 0.2,563 0.081,564 0.044,565 0.056,566 0.04,567 0.021,568 0.039,571 0.482,572 1,573 1,574 0.946,575 73.018,576 -0.08,577 0.09,578 0.02,579 0.109,580 -0.081,581 0.084,582 0.213,583 0.006,584 0.104,585 0.059,586 0.215,587 0.065,588 0.088,589 -0.165,590 -0.117,591 -0.155,592 -0.02,593 -0.171,594 -0.092,595 0.083,596 -0.018,597 0.03,598 -0.075,599 0.025,600 -0.102,601 -0.238,602 -0.209,603 -0.27,604 -0.06,605 -0.256,606 -0.008,607 -0.02,608 0.051,609 -0.035,610 0.051,611 0.012,612 -0.243,613 -0.148,614 -0.307,615 -0.153,616 -0.268,617 -0.231,618 0.284,619 0.392,620 0.831,621 0.541,622 0.285,623 0.733,624 2.417,625 4.395,626 0.722,627 9.333,628 0.995,629 1.121,630 2.704,631 7.314,632 0.657,633 3.045,634 3.434,635 3.761,636 4.111,637 4.369,638 4.522,639 4.585,640 4.635,641 4.489,642 4.344,643 3.837,644 0.619,645 243.33,646 3.045,647 4.615,648 5.501,649 6.425,650 7.336,651 8.264,652 9.183,653 10.112,654 11.034,655 11.963,656 2.9,659 1,667 2,672 4,674 6,683 1,688 35,689 8,690 1,691 20,693 37,694 15,695 6,696 4,697 2,700 3,701 6,704 2,705 2,706 2,708 2,710 9,711 6,712 2,714 2,717 1,718 2,719 1,722 1,725 17,726 3,727 2,728 3,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 2,765 18,768 1,769 1,770 1,773 3,782 5.7,784 1,785 1,789 9.667,790 6.7,791 3.833,792 2.14,794 1.672,795 1.249,796 0.945,797 2.614,798 8.383,799 3.258,800 3.839,801 4.347,802 4.91,803 5.407,804 5.711,805 5.915,806 6.236,807 6.323,808 6.408,809 1,810 31,811 6.705,813 2.977,814 7.796,815 12.949,817 11.371,819 2.296,820 41.333,821 0.002,823 176.567,824 71.313,825 18.011,827 67.828,830 71.313,831 244.395,832 18.011,833 17.65,834 2.535,835 37.905,836 86.749,837 12.313,839 176.567,841 176.567,842 89.324,843 67.828,846 164.795,847 79.599,849 20.185,850 32.176,851 36.963,853 176.567,854 85.839,855 71.313,858 176.567,859 15.758,860 55.555,861 18.011,862 67.828,863 176.567,864 85.839,865 71.313,867 0.6,868 0.359,869 0.209,870 0.119,871 17,872 8,873 0.027,874 1,875 2,876 1.308,877 2.874,878 140.958,879 0.308,880 13,881 75.059,884 11.638,885 4.043,886 1.747,888 85.839,889 4.282,894 4.639,896 60.694,897 333.719,898 25,901 11.395,902 4.277,903 -0.751,905 34.825,906 39.239,907 0.275,908 0.684,909 0.858,910 0.891,911 0.936,912 0.936,913 4.549,914 0.657,915 5.533,916 2.348,917 4.111,918 4.522,919 2.429,920 6.431,921 4.09,922 5.766,923 0.071,924 7.149,925 1.792,926 3.892,927 4.443,928 2.243,929 7.489,930 3.862,931 7.091,932 -0.45,933 8.865,934 0.192,935 5.784,936 6.635,937 3.71,938 10.644,939 5.742,940 8.445,941 -0.798,942 10.637,943 -1.167,944 6.347,945 7.321,946 4.173,947 12.509,948 6.295,949 9.829,950 -0.868,951 12.444,952 -2,953 7.769,954 9.057,955 5.293,956 15.201,957 7.704,958 11.232,959 -1,960 14.277,961 -2.119,962 8.677,963 10.101,964 5.987,965 17.402,966 8.601,967 12.653,968 -1.412,969 16.127,970 -2.465,971 9.932,972 11.662,973 6.966,974 19.937,975 9.844,976 3.309,977 -1.526,978 17.991,979 -3.934,980 10.994,981 12.888,982 7.754,983 22.282,984 10.894,985 2.781,986 11.739,987 19.866,988 -4.231,989 12.194,990 14.374,991 8.671,992 24.763,993 12.082,994 2.422,995 9.373,996 21.749,997 4.142,998 13.324,999 15.692,1000 9.5,1001 27.17,1002 13.199,1003 2.097,1004 7.726,1005 23.64,1006 3.237,1007 14.509,1008 17.144,1009 10.389,1010 29.634,1011 14.372,1012 1.784,1013 5.914,1014 25.536,1015 2.849,1016 15.67,1017 18.511,1018 11.238,1019 32.069,1020 15.52,1021 1.318,1022 5.115,1023 27.438,1024 2.75,1025 16.853,1026 19.947,1027 12.114,1028 34.528,1029 16.691,1030 1.006,1031 3.364,1032 29.343,1033 2.286,1034 18.029,1035 21.339,1036 12.971,1037 36.977,1038 17.855,1039 2345,1040 3743,1041 12.948,1042 23.006,1043 31.394,1044 31.919,1045 32.336,1046 30.896,1047 30.892,1048 37.812,1049 7.025,1050 95.126,1051 30.55,1052 5.484,1053 5.817,1054 6.414,1055 5.339,1056 5.309,1057 7.142,1058 3.987,1059 19.387,1060 5.27,1061 9.666,1062 1.57,1063 1.596,1064 1.617,1065 1.545,1066 1.545,1067 1.891,1068 0.351,1069 4.756,1070 1.527,1071 4.078,1072 4.109,1073 4.019,1074 4.011,1075 7.474,1076 4.009,1077 3.758,1078 3.795,1079 3.668,1080 3.686,1081 6.351,1082 3.676,1083 3.473,1084 3.499,1085 3.403,1086 3.258,1087 4.767,1088 3.284,1089 3.261,1090 3.335,1091 3.088,1092 3.102,1093 4.416,1094 3.088,1095 3.074,1096 3.143,1097 2.915,1098 2.929,1099 4.068,1100 2.916,1101 2.831,1102 2.886,1103 2.665,1104 2.535,1105 3.863,1106 2.56,1107 2.643,1108 2.757,1109 2.379,1110 2.426,1111 3.583,1112 2.387,1113 2.602,1114 2.707,1115 2.328,1116 2.343,1117 3.229,1118 2.342,1119 0.227,1120 0.191,1121 0.347,1122 0.215,1123 0.165,1124 4.535,1125 0.207,1126 3.817,1127 0.119,1128 6.943,1129 0.587,1130 4.297,1131 0.163,1132 3.309,1133 4.142,1134 2.375,1135 11.739,1136 3.27,1137 1.998,1138 1.974,1139 2.098,1140 2.087,1141 1.398,1142 2.092,1143 1.645,1144 1.606,1145 1.835,1146 1.802,1147 1.117,1148 1.811,1149 1.524,1150 1.478,1151 1.727,1152 1.648,1153 0.891,1154 1.678,1155 1.307,1156 1.233,1157 1.636,1158 1.51,1159 0.724,1160 1.557,1161 1.131,1162 1.106,1163 1.342,1164 1.426,1165 0.503,1166 1.393,1167 0.934,1168 0.846,1169 1.285,1170 1.178,1171 0.395,1172 1.219,1173 0.621,1174 0.539,1175 0.932,1176 1.035,1177 0.028,1178 1.012,1179 0.566,1180 0.476,1181 0.902,1182 0.793,1184 0.844,1185 3.714,1186 5.081,1187 2.398,1188 6.65,1189 4.595,1190 8.326,1191 6.629,1192 10.062,1194 4.126,1199 9.366,1200 0.848,1201 3.224,1204 -0.073,1209 21.665,1210 49.435,1211 122.716,1212 154.015,1213 160.015,1214 168.015,1215 168.015,1216 29.894,1217 6.711,1218 49.33,1219 49.33,1220 17,1221 12.467,1222 3.17,1223 2.585,1224 25.419,1225 45,1226 34,1227 0.326,1228 132.625,1229 235.46,1230 315.365,1231 5828,1233 12.861,1234 0.715,1235 0.589,1236 12.861,1237 10.604,1238 8.575,1239 0.429,1240 0.317,1241 6.301,1242 8.377,1243 6.07,1244 5.035,1245 8.575,1246 6.348,1247 8.284,1248 0.276,1249 0.179,1250 8.284,1251 5.36,1252 6.855,1253 0.163,1254 0.097,1255 6.855,1256 4.076,1257 6.203,1258 0.103,1259 0.055,1260 6.203,1261 3.317,1262 4.963,1263 0.064,1264 0.029,1265 4.963,1266 2.228,1267 0.469,1268 53.015,1269 0.278,1270 17.17,1271 1.034,1272 100,1273 248.218,1274 106.482,1275 243.583,1276 330.56,1277 226,1278 122,1279 240.638,1280 128.097,1281 246.889,1282 363.55,1283 232,1284 4}
{0 CHEMBL1490701,1 1.423,2 12.065,3 5.029,4 25.294,5 119.444,6 7.913,7 0.514,8 4.064,9 4.152,10 3.684,11 3.693,12 5.228,13 3.676,14 4.581,15 4.694,16 4.076,17 4.117,18 5.797,19 4.076,20 4.912,21 5.089,22 4.168,23 4.269,24 5.988,25 4.203,26 4.97,27 5.154,28 4.176,29 4.243,30 6.127,31 4.189,32 4.939,33 5.119,34 4.095,35 4.162,36 6.171,37 4.113,38 4.813,39 5.003,40 3.926,41 3.986,42 6.027,43 3.935,44 4.636,45 4.809,46 3.824,47 3.785,48 6.078,49 3.752,50 4.442,51 4.63,52 3.548,53 3.704,54 5.563,55 3.638,56 0.046,57 0.64,58 9.157,59 4.844,60 12.169,61 5.647,62 0.248,63 1.081,64 16.453,65 8.303,66 48.574,67 10.128,68 0.314,69 1.521,70 27.137,71 11.842,72 54.09,73 14.899,74 0.44,75 1.606,76 30.187,77 12.104,78 68.287,79 14.775,80 0.396,81 1.492,82 29.971,83 12.015,84 83.114,85 14.069,86 0.37,87 1.3,88 27.283,89 10.726,90 74.256,91 12.639,92 0.728,93 1.08,94 23.04,95 8.48,96 117.82,97 9.798,98 0.332,99 0.911,100 18.698,101 7.273,102 51.534,103 8.482,104 11,105 50,106 0.234,107 0.568,108 0.713,109 0.83,110 0.88,111 0.88,112 3.472,113 0.881,114 -5.62,115 -5.49,116 -5.12,118 50,120 1,121 2,124 1,128 2,131 12,132 4,133 2,142 2,151 1,153 1,154 21,156 1,157 4,160 1,162 3,163 1,164 26,165 1,169 5,172 1,173 1,174 5,176 21,177 2,180 9,183 2,185 5,187 18,188 4,192 11,196 4,199 16,200 2,204 9,205 2,209 4,212 11,213 1,216 2,217 8,220 2,222 3,225 10,230 3,234 1,237 13,238 2,242 4,247 3,250 16,251 2,253 1604,254 21.275,255 21.275,256 21.275,257 21.275,258 21.275,259 18.655,260 19.934,261 12.484,262 21.425,263 17.292,264 17.292,265 17.292,266 17.292,267 17.292,268 13.372,269 28.063,270 5.895,271 17.539,272 4.278,273 2.244,274 1.358,275 0.646,276 0.346,277 0.346,278 4.182,281 1,282 1,283 835,284 3.391,285 61.263,286 331.073,288 104.579,289 117.244,291 1.873,292 34.603,295 0.75,296 1,297 1,298 0.6,299 0.5,300 1,301 1,302 0.84,303 66.5,304 374,305 4.557,306 3.826,307 6.972,308 4.308,309 3.32,310 4.155,311 2.375,312 11.848,313 3.278,314 4.249,315 3.702,316 6.466,317 3.897,318 2.91,319 3.889,320 1.674,321 9.949,322 2.871,323 4.104,324 3.352,325 6.143,326 3.844,327 2.845,328 3.375,329 0.68,330 9.056,331 2.837,332 3.832,333 2.89,334 5.974,335 3.509,336 2.528,337 3.24,338 0.458,339 8.237,340 2.471,341 3.704,342 2.663,343 5.489,344 3.358,345 2.39,346 2.968,348 7.164,349 2.297,350 3.413,351 2.525,352 5.214,353 3.043,354 2.046,355 2.636,357 6.107,358 2.028,359 3.232,360 2.272,361 4.557,362 2.784,363 1.793,364 2.487,365 4.542,366 1.771,367 2.923,368 1.849,369 4.428,370 2.515,371 1.532,372 2.077,373 4.049,374 1.491,375 2.817,376 1.751,377 3.971,378 2.395,379 1.394,380 1.862,382 3.286,383 1.387,384 2.694,385 1.464,386 3.874,387 2.195,388 1.2,389 1.67,391 2.886,392 1.187,393 2.619,394 1.236,395 3.5,396 2.125,397 1.125,398 1.586,400 2.66,401 1.122,402 2.5,403 1.22,404 3.469,405 2,406 1,407 1.5,409 2.275,410 1,411 2.5,412 1,413 3.414,414 2,415 1,416 1.5,418 2.154,419 1,420 2.172,421 1,422 3.357,423 1.852,424 0.855,425 1.042,427 2.136,428 0.848,429 1.769,430 0.938,431 3.247,432 1.572,433 0.594,434 0.672,436 1.577,437 0.577,438 14.733,439 0.475,440 0.73,441 0.024,442 42.25,443 1.363,444 23,445 0.742,446 19.25,447 0.621,448 24.286,449 0.783,450 31.467,451 0.605,452 33.677,453 1.086,454 8.384,455 0.27,456 6.73,457 0.217,458 0.068,460 0.373,462 0.736,463 0.944,464 0.729,465 0.879,466 0.65,467 0.813,468 0.481,469 1.128,470 0.848,471 1.073,472 0.421,473 1.032,474 0.775,475 1.084,476 0.93,477 1.037,478 0.698,479 1.017,480 1.106,481 0.997,482 1.004,483 0.981,484 1.042,485 0.97,486 1.425,487 1.011,488 1.076,489 1.03,490 1.507,491 0.998,492 1.471,493 1.028,494 1.05,495 1.018,496 1.464,497 0.975,498 1.362,499 0.936,500 1.056,501 0.921,502 1.192,503 0.931,504 1.502,505 0.786,506 1.144,507 0.8,508 1.278,509 0.889,510 5,511 0.11,512 3.778,513 1.868,514 1.857,515 1.459,516 0.678,517 0.401,518 0.342,519 0.206,520 13868,521 36061,522 2.16,523 40.4,524 3,525 15,528 2,530 1,531 1.735,532 2.044,533 3.519,534 0.129,540 73.973,541 1.423,542 3.456,543 4.342,544 5.054,545 5.354,546 5.354,547 2.943,548 4.567,549 4.925,550 3.725,551 1732.33,552 8.595,553 24478.1,555 1,558 296.423,559 1.332,560 4.896,561 0.143,562 0.004,563 0.076,564 0.035,565 0.036,566 0.031,567 0.017,568 0.012,569 0.012,570 0.007,571 0.373,572 0.17,573 0.75,574 0.646,575 161.006,576 -0.058,577 0.068,578 0.027,579 0.074,580 -0.069,581 0.069,582 0.213,583 -0.124,584 -0.045,585 -0.116,586 0.165,587 -0.124,588 0.042,589 -0.081,590 -0.002,591 -0.067,592 0.012,593 -0.051,594 -0.033,595 0.026,596 -0.021,597 -0.023,598 -0.057,599 -0.019,600 -0.15,601 -0.04,602 -0.059,603 -0.056,604 -0.143,605 -0.042,606 -0.139,607 -0.073,608 -0.002,609 -0.036,610 -0.132,611 -0.003,612 0.258,613 0.046,614 0.018,615 0.041,616 0.266,617 -0.001,618 -0.256,619 0.195,620 -0.124,621 0.177,622 -0.174,623 0.075,624 2.58,625 5.982,626 0.806,627 30.926,628 1.005,629 1.106,630 4.394,631 19.304,632 0.701,633 3.584,634 3.932,635 4.263,636 4.575,637 4.836,638 4.963,639 5.136,640 5.231,641 5.308,642 5.361,643 7.145,644 0.676,645 411.48,646 3.584,647 5.142,648 6.019,649 6.917,650 7.812,651 8.718,652 9.621,653 10.53,654 11.438,655 12.349,656 1.9,659 1,667 12,672 6,674 18,681 1,683 1,688 52,689 21,690 3,691 35,693 56,694 26,695 18,696 6,697 12,698 1,700 5,701 8,705 2,706 2,708 2,710 22,711 4,712 2,714 3,717 2,718 2,719 2,725 21,726 5,727 2,728 5,732 1,734 0.6,735 4,743 1,744 4,746 1,747 1,751 1,752 2,755 1,757 3,765 31,768 1,769 1,770 1,771 1,773 3,782 7.7,784 1,785 2,787 1,789 15.167,790 9.117,791 6.722,792 3.113,794 3.691,795 1.444,796 0.993,797 5.087,798 12.002,799 3.871,800 4.449,801 5.016,802 5.587,803 6.126,804 6.364,805 6.787,806 7.109,807 7.425,808 7.704,809 0.875,810 53,811 11.549,813 5.18,814 7.849,815 21.842,817 18.788,819 2.349,820 72.833,822 1,823 223.651,824 164.046,825 18.011,827 103.973,830 164.046,831 327.624,832 18.011,834 2.535,835 132.667,836 119.085,837 31.742,839 223.651,841 223.651,842 182.056,843 103.973,846 211.88,847 115.744,849 2.535,850 142.559,851 36.963,853 223.651,854 121.984,855 164.046,858 223.651,859 31.378,860 132.667,861 18.011,862 103.973,863 223.651,864 121.984,865 164.046,867 0.585,868 0.352,869 0.2,870 0.111,871 26,872 11,873 0.089,874 5,875 2,876 1.16,877 4.233,878 294.195,879 0.16,880 25,881 145.58,884 19.591,885 8.049,886 3.641,888 121.984,889 22.732,894 4.378,896 60.694,897 509.68,898 47,901 24.803,902 4.055,903 -1.426,905 52.247,906 57.488,907 0.25,908 0.606,909 0.762,910 0.887,911 0.939,912 0.939,913 5.121,914 1.532,915 6.009,916 4.542,917 4.615,918 5.136,919 2.831,920 6.862,921 4.586,922 6.32,923 1.394,924 7.59,925 4.049,926 4.205,927 4.82,928 2.243,929 7.849,930 4.161,931 7.623,932 1.2,933 9.276,934 3.286,935 6.24,936 7.257,937 4.036,938 10.995,939 6.183,940 8.959,941 1.125,942 11.026,943 2.886,944 6.686,945 7.764,946 4.173,947 12.832,948 6.616,949 10.327,950 1,951 12.815,952 2.66,953 8.173,954 9.663,955 5.493,956 15.497,957 8.092,958 11.718,959 1,960 14.632,961 2.275,962 9.006,963 10.571,964 5.987,965 17.676,966 8.914,967 13.128,968 0.855,969 16.469,970 2.154,971 10.282,972 12.229,973 7.076,974 20.189,975 10.179,976 3.32,977 0.594,978 18.321,979 2.136,980 11.295,981 13.352,982 7.754,983 22.518,984 11.181,985 2.91,986 11.848,987 20.184,988 1.577,989 12.493,990 14.889,991 8.728,992 24.984,993 12.368,994 2.845,995 9.949,996 22.056,997 4.155,998 13.59,999 16.134,1000 9.5,1001 27.382,1002 13.453,1003 2.528,1004 9.056,1005 23.935,1006 3.889,1007 14.764,1008 17.608,1009 10.419,1010 29.837,1011 14.615,1012 2.39,1013 8.237,1014 25.821,1015 3.375,1016 15.901,1017 18.922,1018 11.238,1019 32.268,1020 15.741,1021 2.046,1022 7.164,1023 27.712,1024 3.24,1025 17.072,1026 20.363,1027 12.129,1028 34.724,1029 16.899,1030 1.793,1031 6.107,1032 29.608,1033 2.968,1034 18.231,1035 21.718,1036 12.971,1037 37.172,1038 18.045,1039 12784,1040 20759,1041 23.868,1042 36.438,1043 53.885,1044 55.233,1045 54.492,1046 53.134,1047 53.07,1048 69.319,1049 10.374,1050 155.852,1051 52.329,1052 5.508,1053 5.826,1054 6.774,1055 5.377,1056 5.32,1057 7.155,1058 4.049,1059 19.559,1060 5.278,1061 12.504,1062 1.54,1063 1.578,1064 1.557,1065 1.518,1066 1.516,1067 1.981,1068 0.296,1069 4.453,1070 1.495,1071 4.084,1072 4.11,1073 4.031,1074 4.011,1075 7.474,1076 4.011,1077 3.984,1078 4.008,1079 3.928,1080 3.936,1081 7.433,1082 3.931,1083 3.772,1084 3.795,1085 3.704,1086 3.686,1087 6.351,1088 3.685,1089 3.71,1090 3.742,1091 3.631,1092 3.645,1093 4.878,1094 3.637,1095 3.468,1096 3.488,1097 3.401,1098 3.244,1099 4.744,1100 3.276,1101 3.253,1102 3.242,1103 3.209,1104 3.04,1105 4.665,1106 3.078,1107 2.977,1108 3.02,1109 2.876,1110 2.839,1111 4.401,1112 2.833,1113 2.922,1114 2.961,1115 2.834,1116 2.786,1117 4.131,1118 2.791,1119 0.13,1120 0.109,1121 0.199,1122 0.123,1123 0.095,1124 4.557,1125 0.119,1126 3.826,1127 0.068,1128 6.972,1129 0.339,1130 4.308,1131 0.094,1132 3.32,1133 4.155,1134 2.375,1135 11.848,1136 3.278,1137 1.992,1138 1.972,1139 2.085,1140 2.083,1141 1.385,1142 2.08,1143 1.97,1144 1.947,1145 2.063,1146 2.043,1147 1.183,1148 2.054,1149 1.745,1150 1.718,1151 1.879,1152 1.849,1153 1.057,1154 1.858,1155 1.624,1156 1.587,1157 1.811,1158 1.773,1159 0.932,1160 1.782,1161 1.503,1162 1.465,1163 1.679,1164 1.63,1165 0.831,1166 1.648,1167 1.183,1168 1.166,1169 1.353,1170 1.443,1171 0.519,1172 1.41,1173 1.055,1174 1.044,1175 1.198,1176 1.328,1177 0.268,1178 1.28,1179 0.915,1180 0.883,1181 1.181,1182 1.119,1183 0.218,1184 1.107,1185 4.263,1186 5.602,1187 2.398,1188 7.148,1189 4.595,1190 8.79,1191 6.629,1192 10.486,1199 9.689,1200 0.705,1201 3.093,1202 5.62,1204 -0.816,1209 35.149,1210 73.973,1211 179.736,1212 225.794,1213 262.813,1214 278.423,1215 278.423,1216 59.456,1217 8.312,1218 75.63,1219 75.63,1220 29,1221 12.864,1222 4.459,1223 3.7,1224 43.78,1225 132,1226 146,1227 0.16,1228 210.855,1229 378.34,1230 506.246,1231 52758,1233 21.372,1234 0.689,1235 0.539,1236 21.372,1237 16.694,1238 15.114,1239 0.432,1240 0.294,1241 10.193,1242 14.728,1243 10.016,1244 8.242,1245 15.114,1246 10.282,1247 13.717,1248 0.274,1249 0.157,1250 13.717,1251 7.863,1252 11.944,1253 0.171,1254 0.086,1255 11.944,1256 6.055,1257 10.46,1258 0.109,1259 0.047,1260 10.46,1261 4.544,1262 8.639,1263 0.069,1264 0.025,1265 8.639,1266 3.119,1267 0.253,1268 93.642,1269 0.205,1270 29.13,1271 0.433,1272 170,1273 479.689,1274 183.014,1275 465.069,1276 635.6,1277 434,1278 205,1279 467.548,1280 217.077,1281 473.14,1282 698.12,1283 448,1284 4}
{0 CHEMBL1491562,1 1.494,2 8.522,3 2.191,4 4.798,5 90.873,6 6.987,7 0.24,8 3.891,9 4.012,10 3.392,11 3.418,12 4.964,13 3.387,14 4.464,15 4.643,16 3.784,17 3.851,18 5.55,19 3.792,20 4.782,21 5,22 3.915,23 4.039,24 5.803,25 3.96,26 4.869,27 5.075,28 3.922,29 4.069,30 5.993,31 3.992,32 4.869,33 5.092,34 3.768,35 3.984,36 6.016,37 3.881,38 4.699,39 4.953,40 3.508,41 3.778,42 5.75,43 3.642,44 4.485,45 4.742,46 3.284,47 3.53,48 5.466,49 3.407,50 4.288,51 4.54,52 3.103,53 3.403,54 5.207,55 3.275,56 0.03,57 0.638,58 9.965,59 4.319,60 9.819,61 5.786,62 0.239,63 1.069,64 18.822,65 7.26,66 41.988,67 10.27,68 0.315,69 1.36,70 27.039,71 9.682,72 49.787,73 13.821,74 0.335,75 1.409,76 29.943,77 10.388,78 69.698,79 14.296,80 0.37,81 1.314,82 30.603,83 10.634,84 82.086,85 14.52,86 0.327,87 1.109,88 25.928,89 9.133,90 61.443,91 12.926,92 0.247,93 0.895,94 21.083,95 6.824,96 49.357,97 9.885,98 0.205,99 0.776,100 16.997,101 5.49,102 33.149,103 8.094,104 37,105 36,106 0.261,107 0.637,108 0.818,109 0.844,110 0.844,111 0.844,112 3.19,113 0.979,114 -3.66,115 -3.63,116 -3.46,118 40,119 2,120 1,121 2,123 2,124 1,128 2,131 3,132 2,133 1,142 2,151 1,153 1,154 10,156 1,157 4,160 1,162 3,163 1,164 12,165 1,169 5,172 1,173 1,174 5,176 8,177 2,180 8,185 5,187 10,188 4,192 6,196 4,199 10,200 2,204 6,207 2,209 2,212 6,213 1,217 5,222 1,225 2,231 2,234 2,237 4,241 2,245 2,250 4,253 644,254 15.516,255 15.516,256 15.516,257 15.516,258 15.516,259 14.36,260 22.649,261 8.827,262 15.731,263 12.16,264 12.16,265 12.16,266 12.16,267 12.16,268 10.283,269 29.799,270 3.933,271 12.412,272 3.998,273 1.844,274 0.806,275 0.656,276 0.656,277 0.656,278 3.864,280 1,281 1,282 1,283 410,284 3.742,285 41.279,286 92.873,288 72.651,289 79.28,291 1.456,292 28.465,293 1,294 1,295 1,296 1,297 1,298 1,299 1,300 1,301 1,302 1,303 50,304 196,305 4.491,306 3.814,307 6.895,308 4.272,309 3.283,310 4.048,311 2.375,312 11.568,313 3.246,314 4.169,315 3.692,316 6.399,317 3.929,318 2.944,319 3.438,320 1.2,321 9.691,322 2.899,323 3.839,324 3.361,325 6.125,326 3.573,327 2.588,328 3.062,329 0.68,330 8.728,331 2.542,332 3.566,333 2.587,334 5.579,335 3.303,336 2.322,337 2.724,338 0.458,339 7.144,340 2.27,341 3.218,342 2.312,343 5.161,344 2.962,345 2.002,346 2.348,347 0.293,348 5.986,349 1.914,350 2.882,351 2.254,352 4.543,353 2.55,354 1.556,355 1.968,357 4.199,358 1.535,359 2.709,360 1.858,361 3.855,362 2.199,363 1.199,364 1.614,365 2.81,366 1.191,367 2.433,368 1.587,369 3.693,370 2.003,371 0.975,372 1.284,373 2.273,374 0.991,375 2.125,376 1.068,377 3.464,378 1.815,379 0.814,380 0.987,382 2.059,383 0.814,384 1.771,385 0.933,386 3.347,387 1.591,388 0.618,389 0.667,391 1.52,392 0.6,393 1.618,394 0.744,395 2.717,396 1.565,397 0.583,398 0.618,400 0.791,401 0.568,402 1.096,403 0.505,404 2.618,405 0.775,406 -0.206,407 -0.234,409 -0.384,410 -0.201,411 0.782,412 0.147,413 2.476,414 0.625,415 -0.399,416 -0.459,418 -0.736,419 -0.404,420 0.665,421 -0.023,422 2.4,423 0.305,424 -0.687,425 -0.845,427 -1.987,428 -0.681,429 0.473,430 -0.421,431 2.071,432 0.046,433 -0.973,434 -1.227,436 -2,437 -0.939,438 10.8,439 0.47,440 0.61,441 0.027,442 25,443 1.087,444 10.5,445 0.457,446 14.5,447 0.63,448 21.448,449 0.933,450 25.8,451 0.573,452 18.822,453 0.818,454 4.737,455 0.206,456 6.325,457 0.275,458 0.185,460 0.407,462 0.747,463 1.313,464 0.852,465 1.116,466 0.645,467 1.015,468 0.512,469 1.16,470 0.844,471 1.033,472 0.411,473 0.99,474 0.764,475 1.021,476 0.895,477 0.973,478 0.706,479 0.951,480 1.255,481 1.064,482 1.089,483 1.052,484 1.272,485 1.04,486 1.309,487 1.03,488 1.101,489 1.069,490 1.398,491 1.06,492 0.882,493 0.992,494 0.968,495 1.053,496 0.957,497 1.038,498 1.099,499 1.07,500 1.013,501 1.011,502 1.126,503 1.001,504 1.006,505 1.018,506 1.124,507 1.01,508 0.862,509 1.06,510 4.5,511 0.066,512 3.333,513 1.806,514 1.604,515 0.973,516 0.537,517 0.385,518 0.227,519 0.161,520 4822,521 12657,522 2.016,523 48.9,524 3,525 10,528 2,530 7,531 1.661,532 1.84,533 3.089,534 0.278,535 1,536 1,538 1,540 67.212,541 1.494,542 3.648,543 4.686,544 4.836,545 4.836,546 4.836,547 2.562,548 4.002,549 4.493,550 3.23,551 817.197,552 7.759,553 8923.33,555 1,557 1,558 247.133,559 1.538,560 4.428,561 0.18,562 0.011,563 0.093,564 0.045,565 0.041,566 0.03,567 0.022,568 0.02,569 0.014,570 0.013,571 0.47,572 0.33,573 1,574 1.452,575 105.436,576 -0.062,577 -0.074,578 0.027,579 0.023,580 -0.056,581 0.036,582 0.169,583 0.003,584 0.065,585 0.027,586 0.151,587 0.029,588 0.04,589 0.053,590 0.049,591 0.034,592 0.025,593 0.043,594 -0.16,595 -0.031,596 -0.11,597 -0.054,598 -0.129,599 -0.067,600 -0.148,601 -0.081,602 -0.107,603 -0.079,604 -0.129,605 -0.086,606 0.034,607 -0.061,608 0.005,609 -0.074,610 -0.021,611 -0.05,612 -0.091,613 -0.131,614 -0.022,615 -0.063,616 -0.099,617 -0.037,618 -0.14,619 -0.001,620 -0.155,621 -0.063,622 -0.057,623 -0.098,624 2.488,625 5.551,626 0.565,627 17.913,628 1,629 1.128,630 2.431,631 5.908,632 0.644,633 3.258,634 3.611,635 3.951,636 4.234,637 4.466,638 4.635,639 4.804,640 4.942,641 4.99,642 4.92,643 5.195,644 0.61,645 314.42,646 3.258,647 4.812,648 5.694,649 6.597,650 7.501,651 8.412,652 9.323,653 10.238,654 11.153,655 12.071,656 4.4,659 1,660 1,667 3,672 3,674 6,679 1,683 1,688 45,689 9,690 1,691 25,693 47,694 18,695 6,696 3,697 3,698 1,700 3,701 6,704 2,705 2,706 2,708 2,710 10,711 8,712 2,714 3,717 2,718 2,719 2,721 1,722 1,725 22,726 5,727 2,728 5,732 2,734 0.333,735 3,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 2,765 23,768 1,769 3,770 1,773 3,774 1,782 6.7,784 1,785 2,789 12.5,790 8.4,791 5.194,792 3.043,794 1.71,795 1.239,796 0.928,797 4.445,798 8.863,799 3.466,800 3.98,801 4.503,802 5.006,803 5.511,804 5.862,805 6.226,806 6.52,807 6.758,808 6.771,809 0.833,810 40,811 8.598,813 3.771,814 7.906,815 16.374,817 13.926,819 2.406,820 55.333,823 235.422,824 86.52,825 21.135,827 92.973,830 86.52,831 328.395,832 21.135,833 17.65,834 9.87,835 47.381,836 116.598,837 9.128,839 235.422,841 235.422,842 107.655,843 92.973,846 153.024,847 175.371,849 27.521,850 43.171,851 36.963,853 235.422,854 114.108,855 86.52,858 235.422,859 21.488,860 68.156,861 18.011,862 92.973,863 235.422,864 114.108,865 86.52,867 0.583,868 0.369,869 0.2,870 0.101,871 18,872 9,873 0.085,874 4,875 2,876 1.308,877 3.332,878 190.909,879 0.308,880 13,881 100.042,884 16.067,885 6.363,886 2.762,888 114.108,889 5.545,894 2.516,896 60.694,897 436.05,898 31,901 24.049,902 4.118,903 -0.797,905 45.022,906 50.777,907 0.272,908 0.664,909 0.853,910 0.881,911 0.881,912 0.881,913 4.741,914 0.975,915 5.707,916 2.81,917 4.29,918 4.663,919 2.655,920 6.589,921 4.256,922 5.93,923 0.814,924 7.318,925 2.273,926 4.007,927 4.494,928 2.283,929 7.644,930 3.959,931 7.241,932 0.618,933 9.029,934 2.059,935 5.953,936 6.719,937 3.793,938 10.771,939 5.888,940 8.584,941 0.583,942 10.798,943 1.52,944 6.494,945 7.36,946 4.187,947 12.617,948 6.419,949 9.959,950 -0.206,951 12.602,952 0.791,953 7.923,954 9.092,955 5.316,956 15.277,957 7.834,958 11.356,959 -0.399,960 14.428,961 -0.384,962 8.813,963 10.092,964 5.991,965 17.446,966 8.715,967 12.769,968 -0.687,969 16.271,970 -0.736,971 10.061,972 11.636,973 6.971,974 19.951,975 9.952,976 3.283,977 -0.973,978 18.126,979 -1.987,980 11.104,981 12.814,982 7.755,983 22.263,984 10.985,985 2.944,986 11.568,987 19.99,988 -2,989 12.29,990 14.277,991 8.672,992 24.717,993 12.16,994 2.588,995 9.691,996 21.862,997 4.048,998 13.4,999 15.549,1000 9.501,1001 27.095,1002 13.261,1003 2.322,1004 8.728,1005 23.74,1006 3.438,1007 14.569,1008 16.975,1009 10.39,1010 29.533,1011 14.419,1012 2.002,1013 7.144,1014 25.623,1015 3.062,1016 15.711,1017 18.299,1018 11.238,1019 31.942,1020 15.551,1021 1.556,1022 5.986,1023 27.511,1024 2.724,1025 16.877,1026 19.708,1027 12.114,1028 34.378,1029 16.706,1030 1.199,1031 4.199,1032 29.402,1033 2.348,1034 18.035,1035 21.061,1036 12.971,1037 36.804,1038 17.854,1039 4879,1040 7986,1041 16.126,1042 28.989,1043 38.362,1044 39.465,1045 40.522,1046 37.791,1047 37.764,1048 45.517,1049 10.011,1050 113.535,1051 37.139,1052 5.439,1053 5.814,1054 6.513,1055 5.314,1056 5.283,1057 7.048,1058 3.987,1059 19.155,1060 5.246,1061 13.37,1062 1.534,1063 1.579,1064 1.621,1065 1.512,1066 1.511,1067 1.821,1068 0.4,1069 4.541,1070 1.486,1071 4.076,1072 4.106,1073 4.019,1074 4.001,1075 7.474,1076 4.001,1077 3.793,1078 3.837,1079 3.716,1080 3.681,1081 7.427,1082 3.68,1083 3.627,1084 3.689,1085 3.502,1086 3.458,1087 6.351,1088 3.459,1089 3.468,1090 3.489,1091 3.399,1092 3.246,1093 4.751,1094 3.276,1095 3.306,1096 3.407,1097 3.049,1098 3.123,1099 4.396,1100 3.089,1101 3.139,1102 3.161,1103 3.04,1104 2.935,1105 4.227,1106 2.958,1107 2.898,1108 2.964,1109 2.748,1110 2.788,1111 3.964,1112 2.771,1113 2.839,1114 2.886,1115 2.71,1116 2.533,1117 3.892,1118 2.562,1119 0.18,1120 0.153,1121 0.276,1122 0.171,1123 0.131,1124 4.491,1125 0.162,1126 3.814,1127 0.095,1128 6.895,1129 0.463,1130 4.272,1131 0.13,1132 3.283,1133 4.048,1134 2.375,1135 11.568,1136 3.246,1137 1.982,1138 1.959,1139 2.072,1140 2.082,1141 1.384,1142 2.08,1143 1.683,1144 1.633,1145 1.911,1146 1.901,1147 1.132,1148 1.904,1149 1.596,1150 1.54,1151 1.805,1152 1.756,1153 1.042,1154 1.771,1155 1.488,1156 1.442,1157 1.725,1158 1.62,1159 0.869,1160 1.64,1161 1.351,1162 1.256,1163 1.673,1164 1.584,1165 0.83,1166 1.638,1167 1.145,1168 1.113,1169 1.35,1170 1.419,1171 0.516,1172 1.394,1173 1.02,1174 0.997,1175 1.199,1176 1.282,1177 0.278,1178 1.254,1179 0.746,1180 0.686,1181 1.064,1182 1.044,1183 0.147,1184 1.034,1185 3.932,1186 5.273,1187 2.398,1188 6.825,1189 4.595,1190 8.479,1191 6.629,1192 10.188,1194 3.934,1199 9.439,1200 2.109,1201 3.127,1204 -0.498,1205 1.792,1209 27.455,1210 67.212,1211 164.166,1212 210.869,1213 217.624,1214 217.624,1215 217.624,1216 50.926,1217 7.153,1218 69.64,1219 69.64,1220 17,1221 12.581,1222 3.322,1223 2.807,1224 36.688,1225 72,1226 68,1227 0.264,1228 169.265,1229 304.51,1230 404.767,1231 10421,1233 16.56,1234 0.72,1235 0.585,1236 16.56,1237 13.451,1238 11.062,1239 0.442,1240 0.326,1241 8.066,1242 10.682,1243 7.86,1244 6.502,1245 11.062,1246 8.156,1247 9.835,1248 0.273,1249 0.169,1250 9.835,1251 6.093,1252 8.781,1253 0.172,1254 0.097,1255 8.781,1256 4.926,1257 7.385,1258 0.109,1259 0.054,1260 7.385,1261 3.665,1262 5.593,1263 0.065,1264 0.027,1265 5.593,1266 2.332,1267 0.4,1268 69.088,1269 0.249,1270 21.992,1271 0.771,1272 122,1273 341.599,1274 133.111,1275 327.517,1276 439.67,1277 304,1278 148,1279 316.092,1280 158.754,1281 318.068,1282 471.42,1283 301,1284 4}
{0 CHEMBL1521027,1 1.437,2 7.545,3 1.327,4 1.76,5 81.749,6 8.286,7 0.24,8 3.739,9 3.806,10 3.366,11 3.324,12 4.995,13 3.331,14 4.247,15 4.339,16 3.844,17 3.797,18 5.484,19 3.793,20 4.621,21 4.74,22 4.008,23 3.979,24 6.026,25 3.961,26 4.717,27 4.885,28 3.864,29 3.967,30 5.906,31 3.909,32 4.648,33 4.837,34 3.718,35 3.817,36 5.814,37 3.754,38 4.498,39 4.695,40 3.578,41 3.565,42 5.909,43 3.509,44 4.251,45 4.437,46 3.213,47 3.114,48 5.731,49 3.111,50 3.819,51 4.032,52 2.634,53 2.516,54 5.332,55 2.513,56 0.162,57 0.442,58 6.353,59 3.603,60 32.84,61 3.599,62 0.156,63 0.756,64 10.587,65 6.279,66 33.637,67 6.948,68 0.57,69 1.057,70 18.274,71 8.73,72 107.134,73 9.574,74 0.542,75 1.169,76 22.597,77 9.81,78 99.856,79 11.357,80 0.538,81 1.081,82 22.527,83 9.118,84 102.707,85 10.876,86 0.677,87 0.91,88 20.355,89 7.69,90 122.919,91 9.56,92 0.641,93 0.665,94 17.151,95 5.424,96 114.022,97 5.81,98 0.504,99 0.417,100 12.267,101 3.407,102 88.885,103 3.734,104 26,105 40,106 0.26,107 0.703,108 0.822,109 0.886,110 0.896,111 0.906,112 3.15,113 0.849,114 -2.66,115 -2.68,116 -2.61,118 47.2,120 3,126 1,128 2,129 3,130 1,131 2,132 2,133 2,140 1,154 11,157 1,162 6,164 16,169 2,172 1,173 1,174 11,176 16,180 2,185 11,187 14,192 2,196 5,199 8,204 1,208 3,209 8,212 1,217 3,220 1,222 6,230 1,233 1,234 1,245 1,246 1,253 548,254 14.386,255 14.386,256 14.386,257 14.386,258 14.386,259 12.853,260 15.968,261 7.818,262 14.483,263 12.265,264 12.265,265 12.265,266 12.265,267 12.265,268 9.769,269 19.44,270 3.67,271 12.483,272 3.733,273 1.285,274 0.632,275 0.278,276 0.222,277 0.167,278 3.839,280 1,281 1,282 1,283 364,284 2.739,285 24.604,286 101.823,288 95.401,289 56.86,291 1.14,292 41.97,295 1,296 0.83,297 1,298 0.8,299 0.5,300 1,301 1,302 0.88,303 49,304 166,305 4.857,306 3.948,307 7.721,308 4.619,309 3.638,310 4.384,311 0.765,312 14.368,313 3.565,314 4.375,315 3.571,316 6.604,317 4,318 3.008,319 3.928,321 10.367,322 2.979,323 4.137,324 3.075,325 6.261,326 3.787,327 2.824,328 3.512,330 9.283,331 2.713,332 3.584,333 2.833,334 5.838,335 3.293,336 2.311,337 2.822,339 7.698,340 2.278,341 3.533,342 2.509,343 5.625,344 3.195,345 2.199,346 2.703,348 7.04,349 2.162,350 3.295,351 2.19,352 5.133,353 2.845,354 1.839,355 2.435,357 5.58,358 1.843,359 3.007,360 1.819,361 4.597,362 2.582,363 1.604,364 2.155,365 4.52,366 1.565,367 2.454,368 1.534,369 4.139,370 2.051,371 1.085,372 1.31,373 2.929,374 1.042,375 1.985,376 1.306,377 3.769,378 1.793,379 0.824,380 0.889,382 2.137,383 0.791,384 1.807,385 0.828,386 3.118,387 1.249,388 0.247,389 0.356,391 0.577,392 0.242,393 1.134,394 0.288,395 2.986,396 0.882,397 -0.054,398 -0.06,400 -0.139,401 -0.05,402 0.929,403 0.069,404 2.939,405 0.662,406 -0.327,407 -0.387,409 -0.948,410 -0.314,411 0.796,412 0.028,413 2.696,414 0.573,415 -0.374,416 -0.435,418 -1.009,419 -0.358,420 0.498,421 -0.384,422 2.577,423 0.17,424 -0.777,425 -0.937,427 -2.285,428 -0.72,429 0.196,430 -0.597,431 2.211,432 -0.11,433 -1.126,434 -1.213,436 -3.066,437 -1.06,438 10.167,439 0.462,440 0.853,441 0.039,442 26.75,443 1.216,444 13,445 0.591,446 13.75,447 0.625,448 18.68,449 0.849,450 23.433,451 0.651,452 20.371,453 0.926,454 5.143,455 0.234,456 5.261,457 0.239,458 0.164,459 0.049,460 0.443,462 0.926,463 0.751,464 0.771,465 0.738,466 0.912,467 0.714,468 0.583,469 1.02,470 0.631,471 1.003,472 0.573,473 0.871,474 0.83,475 1.076,476 0.947,477 1.08,478 0.802,479 1.056,480 0.916,481 1.101,482 1.079,483 1.114,484 0.894,485 1.139,486 0.929,487 1.081,488 1.041,489 1.089,490 0.947,491 1.097,492 0.738,493 1.088,494 0.922,495 1.096,496 0.771,497 1.072,498 1.614,499 0.977,500 1.258,501 0.96,502 1.535,503 0.992,504 1.748,505 0.763,506 1.265,507 0.746,508 1.827,509 0.834,510 6,512 4.222,513 2.951,514 2.119,515 1.23,516 0.628,517 0.346,518 0.14,519 0.051,520 4223,521 14015,522 2.081,523 38.9,524 2,525 4,528 4,530 4,531 1.653,532 1.872,533 2.903,534 1.825,535 1,536 1,538 1,540 51.718,541 1.437,542 3.885,543 4.538,544 4.892,545 4.948,546 5.003,547 2.384,548 4.369,549 4.432,550 2.97,551 686.139,552 7.655,553 6980.98,554 1,555 1,558 186.117,559 1.742,560 4.348,561 0.24,563 0.106,564 0.067,565 0.057,566 0.04,567 0.025,568 0.022,569 0.017,570 0.013,571 0.587,572 0.5,573 1,574 0.688,575 96.782,576 -0.171,577 0.281,578 -0.054,579 0.273,580 -0.171,581 0.174,582 0.003,583 0.001,584 0.096,585 0.014,586 0.025,587 0.067,588 0.029,589 -0.083,590 -0.093,591 -0.095,592 0.053,593 -0.123,594 -0.107,595 -0.126,596 -0.151,597 -0.131,598 -0.095,599 -0.149,600 -0.086,601 -0.116,602 -0.057,603 -0.111,604 -0.12,605 -0.083,606 0.206,607 -0.135,608 0.121,609 -0.128,610 0.158,611 -0.051,612 -0.202,613 -0.039,614 -0.104,615 -0.034,616 -0.163,617 -0.038,618 -0.191,619 0.16,620 -0.005,621 0.168,622 -0.203,623 0.145,624 2.355,625 4.961,626 0.773,627 13.264,628 1.023,629 1.11,630 1.431,631 2.049,632 0.683,633 3.258,634 3.714,635 4.078,636 4.431,637 4.771,638 4.97,639 5.176,640 5.328,641 5.361,642 5.375,643 4.447,644 0.674,645 298.31,646 3.258,647 4.875,648 5.79,649 6.742,650 7.679,651 8.637,652 9.583,653 10.543,654 11.495,655 12.456,667 2,672 4,674 6,685 2,688 36,689 10,690 1,691 25,693 39,694 17,695 6,696 4,697 2,698 7,700 4,701 10,705 3,706 1,708 3,710 13,711 4,712 1,714 4,717 1,718 2,719 5,721 1,722 1,725 14,726 5,727 4,728 5,734 0.25,735 5,738 1,743 1,744 3,746 2,747 1,749 1,752 3,753 3,755 2,757 1,765 22,768 4,769 3,775 1,782 13.9,783 1,784 3,785 1,789 11.75,790 6.3,791 4.528,792 2.103,794 2.486,795 1.325,796 0.901,797 2.626,798 10.131,799 3.497,800 4.167,801 4.798,802 5.379,803 5.99,804 6.387,805 6.811,806 7.206,807 7.497,808 7.77,809 1,810 44,811 8.261,813 3.967,814 8.216,815 15.155,817 13.678,819 2.716,820 59.75,823 117.711,824 66.57,827 195.878,830 66.57,831 313.589,834 7.604,835 80.588,836 158.328,837 15.928,839 117.711,841 117.711,842 66.57,843 195.878,846 70.627,847 200.279,848 42.683,849 7.604,850 40.014,851 18.952,853 117.711,854 195.878,855 66.57,858 117.711,859 28.665,860 37.905,862 195.878,863 117.711,864 195.878,865 66.57,867 0.62,868 0.381,869 0.201,870 0.12,871 24,872 11,875 3,876 1.353,877 3.192,878 198.314,879 0.353,880 17,881 98.107,884 13.612,885 4.245,886 1.747,888 195.878,889 2.88,894 0.912,896 170.733,897 380.159,898 32,901 11.612,902 2.89,903 1.066,905 36.822,906 39.953,907 0.278,908 0.751,909 0.878,910 0.946,911 0.957,912 0.968,913 4.832,914 1.085,915 5.872,916 4.52,917 4.394,918 4.852,919 0.775,920 6.847,921 4.359,922 6.114,923 0.824,924 7.546,925 2.929,926 4.369,927 4.934,929 8.209,930 4.29,931 7.498,932 0.247,933 9.326,934 2.137,935 6.201,936 7.117,937 0.521,938 11.346,939 6.131,940 8.914,941 -0.054,942 11.168,943 0.577,944 6.938,945 7.933,947 13.519,948 6.824,949 10.359,950 -0.327,951 13.05,952 -0.139,953 8.352,954 9.672,955 0.336,956 16.287,957 8.239,958 11.826,959 -0.374,960 14.962,961 -0.948,962 9.404,963 10.817,965 18.772,966 9.256,967 13.31,968 -0.777,969 16.897,970 -1.009,971 10.698,972 12.387,973 0.21,974 21.45,975 10.541,976 3.638,977 -1.126,978 18.85,979 -2.285,980 11.879,981 13.691,983 24.048,984 11.695,985 3.008,986 14.368,987 20.819,988 -3.066,989 13.146,990 15.192,991 0.128,992 26.709,993 12.946,994 2.824,995 10.367,996 22.8,997 4.384,998 14.381,999 16.573,1001 29.348,1002 14.158,1003 2.311,1004 9.283,1005 24.791,1006 3.928,1007 15.647,1008 18.046,1009 0.077,1010 32.007,1011 15.407,1012 2.199,1013 7.698,1014 26.791,1015 3.512,1016 16.907,1017 19.467,1019 34.662,1020 16.645,1021 1.839,1022 7.04,1023 28.799,1024 2.822,1025 18.179,1026 20.931,1027 0.046,1028 37.323,1029 17.897,1030 1.604,1031 5.58,1032 30.813,1033 2.703,1034 19.451,1035 22.372,1037 39.983,1038 19.149,1039 4101,1040 7513,1041 16.126,1042 24.602,1043 40.469,1044 40.922,1045 41.774,1046 39.308,1047 39.161,1048 48.987,1049 1.529,1050 128.998,1051 38.361,1052 5.809,1053 5.948,1054 6.992,1055 5.619,1056 5.638,1057 7.384,1058 1.529,1059 22.571,1060 5.565,1061 12.467,1062 1.619,1063 1.637,1064 1.671,1065 1.572,1066 1.566,1067 1.959,1068 0.061,1069 5.16,1070 1.534,1071 4.113,1072 4.125,1073 4.074,1074 4.059,1075 7.43,1076 4.061,1077 3.825,1078 3.834,1079 3.785,1080 3.742,1081 6.53,1082 3.749,1083 3.535,1084 3.558,1085 3.459,1086 3.392,1087 6.46,1088 3.401,1089 3.25,1090 3.291,1091 3.133,1092 3.116,1093 6.445,1094 3.115,1095 3.038,1096 3.064,1097 2.951,1098 2.897,1099 6.402,1100 2.902,1101 2.926,1102 2.959,1103 2.813,1104 2.738,1105 4.617,1106 2.747,1107 2.814,1108 2.832,1109 2.719,1110 2.598,1111 4.322,1112 2.618,1113 2.641,1114 2.67,1115 2.483,1116 2.331,1117 3.903,1118 2.358,1119 0.194,1120 0.158,1121 0.309,1122 0.185,1123 0.146,1124 4.857,1125 0.175,1126 3.948,1127 0.031,1128 7.721,1129 0.575,1130 4.619,1131 0.143,1132 3.638,1133 4.384,1134 0.765,1135 14.368,1136 3.565,1137 1.974,1138 1.963,1139 2.056,1140 2.053,1141 1.373,1142 2.052,1143 1.854,1144 1.838,1145 1.95,1146 1.953,1147 1.159,1148 1.95,1149 1.522,1150 1.497,1151 1.684,1152 1.692,1153 0.809,1154 1.685,1155 1.227,1156 1.179,1157 1.469,1158 1.405,1159 0.739,1160 1.428,1161 1.044,1162 1.037,1163 1.163,1164 1.262,1165 0.287,1166 1.226,1167 0.872,1168 0.828,1169 1.114,1170 1.116,1171 0.234,1172 1.108,1173 0.716,1174 0.662,1175 0.998,1176 1.039,1177 0.067,1178 1.014,1179 0.614,1180 0.601,1181 0.885,1182 0.915,1184 0.89,1185 3.932,1186 5.352,1187 2.398,1188 6.976,1189 4.949,1190 8.697,1191 7.248,1192 10.47,1199 40.373,1200 1.122,1206 -1.105,1209 24.262,1210 51.718,1211 139.853,1212 163.362,1213 176.117,1214 178.117,1215 180.117,1216 54.536,1217 7.645,1218 97.99,1219 97.99,1220 23,1221 12.94,1222 3.459,1223 3,1224 29.639,1225 58,1226 58,1227 0.264,1228 143.756,1229 267.79,1230 342.525,1231 19126,1233 15.646,1234 0.711,1235 0.529,1236 15.646,1237 11.628,1238 10.405,1239 0.416,1240 0.283,1241 7.003,1242 10.082,1243 6.878,1244 5.571,1245 10.405,1246 7.078,1247 10.514,1248 0.263,1249 0.15,1250 10.514,1251 6.02,1252 9.478,1253 0.163,1254 0.081,1255 9.478,1256 4.722,1257 7.932,1258 0.096,1259 0.045,1260 7.932,1261 3.696,1262 6.975,1263 0.06,1264 0.024,1265 6.975,1266 2.846,1267 0.387,1268 65.236,1269 0.249,1270 20.633,1271 0.821,1272 130,1273 388.334,1274 141.183,1275 374.356,1276 501.64,1277 344,1278 163,1279 364.758,1280 174.184,1281 369.568,1282 551.83,1283 349,1284 4}
{0 CHEMBL1527023,1 1.577,2 7.6,3 1.199,4 1.438,5 76.085,6 7.565,7 0.273,8 3.696,9 3.808,10 3.261,11 3.237,12 4.846,13 3.226,14 4.238,15 4.386,16 3.667,17 3.675,18 5.455,19 3.634,20 4.576,21 4.772,22 3.71,23 3.839,24 5.662,25 3.766,26 4.622,27 4.842,28 3.711,29 3.831,30 5.69,31 3.756,32 4.556,33 4.761,34 3.574,35 3.681,36 5.793,37 3.609,38 4.367,39 4.616,40 3.195,41 3.379,42 5.481,43 3.276,44 4.044,45 4.292,46 2.888,47 3.036,48 5.186,49 2.939,50 3.781,51 4.033,52 2.645,53 2.748,54 4.986,55 2.652,56 0.069,57 0.52,58 7.225,59 3.313,60 12.303,61 4.143,62 0.221,63 0.863,64 13.325,65 5.834,66 43.448,67 7.742,68 0.414,69 1.116,70 20.991,71 7.579,72 64.692,73 10.23,74 0.314,75 1.125,76 22.691,77 8.176,78 55.128,79 11.204,80 0.363,81 0.986,82 21.559,83 7.67,84 61.956,85 9.996,86 0.334,87 0.791,88 18.983,89 6.008,90 57.427,91 8.373,92 0.294,93 0.564,94 13.797,95 4.189,96 46.156,97 5.86,98 0.268,99 0.418,100 10.715,101 3.236,102 38.151,103 4.559,104 22,105 32,106 0.289,107 0.701,108 0.868,109 0.902,110 0.913,111 0.913,112 3.06,113 0.905,114 -2.93,115 -2.94,116 -2.84,118 41.7,119 1,120 1,121 2,124 1,128 2,131 3,132 1,133 2,142 2,151 1,153 1,154 8,157 1,160 2,162 6,163 1,164 10,165 1,169 1,172 1,173 1,174 7,176 7,177 2,180 4,185 5,187 7,188 4,192 6,195 1,196 6,199 6,200 2,204 3,209 4,212 3,217 2,220 1,222 1,223 1,225 2,230 2,232 1,233 1,237 2,243 1,251 1,253 428,254 13.223,255 13.223,256 13.223,257 13.223,258 13.223,259 11.927,260 21.352,261 7.677,262 13.299,263 10.877,264 10.877,265 10.877,266 10.877,267 10.877,268 8.884,269 33.277,270 3.64,271 11.011,272 3.593,273 1.343,274 0.431,275 0.243,276 0.188,277 0.188,278 3.734,281 1,282 1,283 321,284 3.162,285 32.42,286 75.448,288 57.87,289 64.38,291 1.4,292 25.602,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 44,304 152,305 4.468,306 3.813,307 6.892,308 4.264,309 3.276,310 4.001,311 2.375,312 11.556,313 3.236,314 3.984,315 3.536,316 6.167,317 3.702,318 2.715,319 3.232,320 1.907,321 8.939,322 2.673,323 3.69,324 3.37,325 5.596,326 3.403,327 2.415,328 2.922,329 0.68,330 7.249,331 2.372,332 3.548,333 2.648,334 5.353,335 3.262,336 2.279,337 2.712,338 0.458,339 6.886,340 2.235,341 3.259,342 2.327,343 4.547,344 2.85,345 1.832,346 2.442,347 0.149,348 4.539,349 1.849,350 2.881,351 2.204,352 4.405,353 2.549,354 1.554,355 1.968,357 4.176,358 1.534,359 2.707,360 1.593,361 3.834,362 2.194,363 1.195,364 1.609,365 2.81,366 1.186,367 2.151,368 1.07,369 3.482,370 1.827,371 0.831,372 1.025,373 2.059,374 0.827,375 1.784,376 0.96,377 3.361,378 1.61,379 0.635,380 0.704,382 1.696,383 0.615,384 1.339,385 0.69,386 2.792,387 1.018,388 0.043,389 0.051,391 0.113,392 0.042,393 0.776,394 0.478,395 2.553,396 0.444,397 -0.538,398 -0.609,400 -1.517,401 -0.52,402 0.658,403 0.186,404 2.446,405 0.298,406 -0.691,407 -0.846,409 -1.994,410 -0.682,411 0.466,412 -0.178,413 2.126,414 0.097,415 -1,416 -1.24,418 -2,419 -0.961,420 0.353,421 -0.43,422 1.769,423 -0.003,424 -1,425 -1.35,427 -2,428 -1.038,429 0.245,430 -0.819,431 1.622,432 -0.075,433 -1.055,434 -1.495,436 -3.125,437 -1.1,438 9.3,439 0.465,440 0.613,441 0.031,442 23.75,443 1.188,444 11,445 0.55,446 12.75,447 0.638,448 15.834,449 0.792,450 21.9,451 0.608,452 16.656,453 0.833,454 4.634,455 0.232,456 4.924,457 0.246,458 0.161,460 0.43,462 0.775,463 1.145,464 0.791,465 0.972,466 0.653,467 0.89,468 0.419,469 1.263,470 0.791,471 1.131,472 0.384,473 1.054,474 0.895,475 1.037,476 1.081,477 1.007,478 0.883,479 1.065,480 0.843,481 1.007,482 0.917,483 0.996,484 0.763,485 0.968,486 1.165,487 1.066,488 1.086,489 1.151,490 1.167,491 1.117,492 1.115,493 1.017,494 1.042,495 1.004,496 1.071,497 1.007,498 1.135,499 0.94,500 1.067,501 0.965,502 1.156,503 0.994,504 1.002,505 0.806,506 0.993,507 0.924,508 1.213,509 0.952,510 4.5,512 2.222,513 1.306,514 1.564,515 0.799,516 0.424,517 0.261,518 0.153,519 0.08,520 3321,521 10348,522 2.048,523 44.4,524 3,525 6,528 3,529 3,530 1,531 1.622,532 1.875,533 2.909,534 1.103,536 1,538 1,540 56.759,541 1.577,542 3.826,543 4.739,544 4.927,545 4.982,546 4.982,547 2.522,548 4.122,549 4.289,550 3.057,551 580.918,552 7.353,553 5690.96,554 1,555 1,558 186.117,559 1.522,560 4.231,561 0.205,563 0.069,564 0.041,565 0.049,566 0.031,567 0.025,568 0.022,569 0.017,570 0.02,571 0.478,572 0.67,573 1,574 1.229,575 86.528,576 -0.106,577 0.052,578 0.004,579 0.103,580 -0.072,581 0.084,582 0.202,583 -0.138,584 0.037,585 -0.075,586 0.184,587 -0.061,588 -0.065,589 0.02,590 -0.165,591 -0.023,592 -0.092,593 -0.102,594 -0.06,595 -0.011,596 0.023,597 -0.009,598 -0.04,599 0.025,600 -0.109,601 -0.121,602 -0.11,603 -0.171,604 -0.085,605 -0.147,606 -0.115,607 -0.109,608 -0.023,609 -0.063,610 -0.091,611 -0.03,612 -0.059,613 -0.023,614 -0.034,615 -0.044,616 -0.08,617 -0.035,618 0.115,619 0.094,620 0.058,621 -0.008,622 -0.024,623 0.008,624 2.486,625 4.372,626 0.65,627 14.14,628 1.01,629 1.126,630 1.7,631 2.891,632 0.658,633 3.135,634 3.497,635 3.784,636 4.127,637 4.382,638 4.533,639 4.682,640 4.771,641 4.745,642 4.663,643 4.645,644 0.635,645 272.33,646 3.135,647 4.691,648 5.557,649 6.466,650 7.361,651 8.277,652 9.183,653 10.101,654 11.014,655 11.933,656 5.6,659 1,660 1,667 3,672 3,674 6,683 1,688 36,689 9,690 1,691 22,693 38,694 15,695 6,696 3,697 3,700 3,701 6,704 1,705 2,706 2,708 2,710 10,711 5,712 2,714 3,717 2,718 2,719 2,721 1,722 1,725 16,726 5,727 3,728 5,732 2,734 0.333,735 3,743 1,744 2,746 1,747 1,750 1,751 1,752 2,755 1,757 1,761 1,765 20,768 1,769 1,770 2,773 3,782 8.3,784 1,785 2,789 10.667,790 6.45,791 4.306,792 2.106,794 1.739,795 1.252,796 0.942,797 3.262,798 8.646,799 3.367,800 3.902,801 4.347,802 4.915,803 5.429,804 5.732,805 6.08,806 6.4,807 6.522,808 6.651,809 1,810 32,811 7.43,813 3.303,814 8.042,815 13.959,817 11.996,819 2.542,820 50.833,823 153.024,824 73.055,825 36.022,827 92.973,830 73.055,831 245.998,832 36.022,833 8.825,834 20.545,835 47.381,836 116.598,837 8.699,839 153.024,841 153.024,842 109.076,843 92.973,846 141.253,847 104.744,849 29.37,850 42.742,851 36.963,853 153.024,854 128.995,855 73.055,858 153.024,859 16.848,860 56.206,861 36.022,862 92.973,863 153.024,864 128.995,865 73.055,867 0.589,868 0.333,869 0.194,870 0.11,871 17,872 8,873 0.053,874 2,875 2,876 1.308,877 3.122,878 157.61,879 0.308,880 13,881 86.439,884 13.191,885 4.946,886 2.348,888 128.995,889 5.541,894 2.623,896 78.705,897 355.074,898 28,901 22.504,902 4.102,903 -0.934,905 36.371,906 40.531,907 0.305,908 0.74,909 0.917,910 0.953,911 0.964,912 0.964,913 4.64,914 0.831,915 5.572,916 2.81,917 4.174,918 4.585,919 2.856,920 6.435,921 4.148,922 5.838,923 0.635,924 7.162,925 2.059,926 3.892,927 4.425,928 2.591,929 7.438,930 3.859,931 7.145,932 0.043,933 8.852,934 1.696,935 5.808,936 6.628,937 4.062,938 10.573,939 5.752,940 8.479,941 -0.538,942 10.601,943 0.113,944 6.312,945 7.22,946 4.438,947 12.406,948 6.248,949 9.841,950 -0.691,951 12.389,952 -1.517,953 7.747,954 8.966,955 5.54,956 15.08,957 7.664,958 11.223,959 -1,960 14.203,961 -1.994,962 8.611,963 9.917,964 6.172,965 17.261,966 8.519,967 12.621,968 -1,969 16.038,970 -2,971 9.868,972 11.478,973 7.13,974 19.781,975 9.761,976 3.276,977 -1.055,978 17.889,979 -2,980 10.9,981 12.62,982 7.88,983 22.112,984 10.784,985 2.715,986 11.556,987 19.752,988 -3.125,989 12.095,990 14.096,991 8.779,992 24.579,993 11.965,994 2.415,995 8.939,996 21.624,997 4.001,998 13.206,999 15.344,1000 9.585,1001 26.974,1002 13.066,1003 2.279,1004 7.249,1005 23.505,1006 3.232,1007 14.382,1008 16.777,1009 10.46,1010 29.425,1011 14.23,1012 1.832,1013 6.886,1014 25.393,1015 2.922,1016 15.529,1017 18.085,1018 11.293,1019 31.848,1020 15.366,1021 1.554,1022 4.539,1023 27.287,1024 2.712,1025 16.704,1026 19.495,1027 12.16,1028 34.294,1029 16.529,1030 1.195,1031 4.176,1032 29.185,1033 2.442,1034 17.868,1035 20.837,1036 13.008,1037 36.729,1038 17.682,1039 3350,1040 5954,1041 14.334,1042 23.705,1043 34.171,1044 34.731,1045 34.909,1046 33.537,1047 33.55,1048 41.334,1049 11.137,1050 100.047,1051 33.139,1052 5.417,1053 5.813,1054 6.363,1055 5.306,1056 5.276,1057 7.001,1058 3.987,1059 19.14,1060 5.236,1061 10.911,1062 1.553,1063 1.579,1064 1.587,1065 1.524,1066 1.525,1067 1.879,1068 0.506,1069 4.548,1070 1.506,1071 4.069,1072 4.101,1073 4.01,1074 3.992,1075 7.474,1076 3.991,1077 3.751,1078 3.791,1079 3.672,1080 3.652,1081 7.43,1082 3.649,1083 3.511,1084 3.557,1085 3.416,1086 3.295,1087 6.351,1088 3.318,1089 3.457,1090 3.474,1091 3.388,1092 3.231,1093 4.781,1094 3.261,1095 2.989,1096 3.046,1097 2.885,1098 2.802,1099 4.419,1100 2.795,1101 2.897,1102 2.963,1103 2.748,1104 2.748,1105 4.087,1106 2.753,1107 2.772,1108 2.842,1109 2.595,1110 2.529,1111 3.804,1112 2.543,1113 2.565,1114 2.677,1115 2.296,1116 2.225,1117 3.624,1118 2.216,1119 0.203,1120 0.173,1121 0.313,1122 0.194,1123 0.149,1124 4.468,1125 0.182,1126 3.813,1127 0.108,1128 6.892,1129 0.525,1130 4.264,1131 0.147,1132 3.276,1133 4.001,1134 2.375,1135 11.556,1136 3.236,1137 1.973,1138 1.946,1139 2.066,1140 2.077,1141 1.382,1142 2.075,1143 1.633,1144 1.594,1145 1.816,1146 1.819,1147 1.056,1148 1.811,1149 1.523,1150 1.477,1151 1.73,1152 1.697,1153 0.838,1154 1.712,1155 1.401,1156 1.353,1157 1.64,1158 1.587,1159 0.705,1160 1.603,1161 1.144,1162 1.113,1163 1.348,1164 1.416,1165 0.515,1166 1.394,1167 0.893,1168 0.837,1169 1.128,1170 1.19,1171 0.177,1172 1.176,1173 0.731,1174 0.665,1175 1.015,1176 0.959,1177 0.113,1178 0.969,1179 0.508,1180 0.414,1181 0.845,1182 0.925,1184 0.939,1185 3.807,1186 5.153,1187 2.398,1188 6.693,1189 4.595,1190 8.338,1191 6.629,1192 10.047,1194 1.469,1199 9.337,1200 0.762,1201 5.858,1204 -0.428,1209 22.875,1210 56.759,1211 137.753,1212 170.608,1213 177.362,1214 179.362,1215 179.362,1216 38.217,1217 6.907,1218 78.43,1219 78.43,1220 17,1221 12.444,1222 3.322,1223 2.807,1224 29.814,1225 56,1226 56,1227 0.282,1228 140.488,1229 252.61,1230 334.551,1231 7655,1233 14.276,1234 0.714,1235 0.554,1236 14.276,1237 11.09,1238 9.559,1239 0.434,1240 0.302,1241 6.558,1242 9.21,1243 6.408,1244 5.274,1245 9.559,1246 6.636,1247 9.135,1248 0.285,1249 0.166,1250 9.135,1251 5.297,1252 7.117,1253 0.166,1254 0.092,1255 7.117,1256 3.949,1257 6.428,1258 0.105,1259 0.051,1260 6.428,1261 3.12,1262 5.244,1263 0.066,1264 0.027,1265 5.244,1266 2.118,1267 0.42,1268 59.9,1269 0.264,1270 19.372,1271 0.838,1272 108,1273 322.286,1274 118.75,1275 309.556,1276 410.39,1277 286,1278 129,1279 291.528,1280 137.925,1281 293.837,1282 428.68,1283 277,1284 4}
{0 CHEMBL1527520,1 1.541,2 5.529,3 1.812,4 3.282,5 64.697,6 7.709,7 0.316,8 3.536,9 3.631,10 3.113,11 3.091,12 4.715,13 3.085,14 4.063,15 4.188,16 3.528,17 3.55,18 5.282,19 3.512,20 4.434,21 4.623,22 3.621,23 3.708,24 5.541,25 3.637,26 4.489,27 4.698,28 3.571,29 3.654,30 5.601,31 3.596,32 4.391,33 4.595,34 3.356,35 3.437,36 5.661,37 3.377,38 4.09,39 4.324,40 2.905,41 2.965,42 5.554,43 2.872,44 3.539,45 3.8,46 1.74,47 2.186,48 4.776,49 2.033,50 2.52,51 2.904,52 0.316,53 1.109,54 3.219,55 0.817,56 0.082,57 0.412,58 5.973,59 2.896,60 15.327,61 3.38,62 0.165,63 0.704,64 10.451,65 5.084,66 38.21,67 6.383,68 0.355,69 0.949,70 17.781,71 7.044,72 52.627,73 9.324,74 0.356,75 0.965,76 19.93,77 6.959,78 63.228,79 9.086,80 0.377,81 0.794,82 18.765,83 6.438,84 65.512,85 8.018,86 0.463,87 0.54,88 15.015,89 4.767,90 83.728,91 6.283,92 0.291,93 0.279,94 9.454,95 2.495,96 49.716,97 3.124,98 0.091,99 0.094,100 3.77,101 0.94,102 15.407,103 1.494,104 11,105 28,106 0.296,107 0.725,108 0.873,109 0.929,110 0.929,111 0.929,112 2.912,113 0.894,114 -2.87,115 -2.88,116 -2.79,118 43.3,120 1,121 2,124 1,128 2,131 3,132 1,133 2,142 1,151 1,153 1,154 9,160 1,162 3,163 1,164 10,165 1,169 1,172 1,173 2,174 7,176 6,177 2,180 2,185 7,187 5,188 3,192 3,196 5,197 1,199 4,200 2,204 2,207 1,208 1,209 4,212 2,213 1,217 1,222 1,253 203,254 11.414,255 11.414,256 11.414,257 11.414,258 11.414,259 10.245,260 14.901,261 6.548,262 11.498,263 9.361,264 9.361,265 9.361,266 9.361,267 9.361,268 7.637,269 20.806,270 3.049,271 9.527,272 3.366,273 1.132,274 0.358,275 0.067,276 0.067,277 0.067,278 3.583,281 1,282 1,283 202,284 2.449,285 23.549,286 58.366,288 42.854,289 49.819,291 0.851,292 23.561,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 37.5,304 94,305 4.508,306 3.816,307 6.936,308 4.283,309 3.297,310 4.074,311 2.375,312 11.705,313 3.249,314 3.983,315 3.402,316 6.289,317 3.714,318 2.731,319 3.195,320 0.68,321 9.277,322 2.676,323 3.658,324 2.836,325 5.802,326 3.403,327 2.421,328 2.848,329 0.458,330 7.706,331 2.365,332 3.131,333 2.289,334 4.905,335 2.765,336 1.784,337 2.288,339 5.053,340 1.741,341 2.921,342 1.978,343 4.235,344 2.484,345 1.504,346 2.077,348 3.687,349 1.468,350 2.701,351 1.465,352 3.877,353 2.241,354 1.246,355 1.617,357 2.993,358 1.229,359 2.248,360 1.348,361 3.474,362 1.959,363 0.975,364 1.146,365 2.268,366 0.957,367 1.773,368 0.948,369 3.36,370 1.588,371 0.61,372 0.684,373 1.611,374 0.593,375 1.193,376 0.561,377 2.742,378 0.877,379 -0.067,380 -0.078,382 -0.168,383 -0.062,384 0.822,385 0.251,386 2.465,387 0.457,388 -0.525,389 -0.66,391 -1.318,392 -0.51,393 0.457,394 -0.241,395 2.32,396 0.1,397 -0.866,398 -0.982,400 -2,401 -0.824,402 0.327,403 -0.514,404 1.813,405 -0.008,406 -1,407 -1.326,409 -2.417,410 -0.969,411 -0.017,412 -0.985,413 1.761,414 -0.332,415 -1.31,416 -1.595,418 -3.497,419 -1.276,420 -0.162,421 -1.178,422 1.493,423 -0.479,424 -1.425,425 -1.774,427 -3.812,428 -1.378,429 -0.5,430 -1.352,431 1.293,432 -0.584,433 -1.581,434 -1.825,436 -4.966,437 -1.579,438 7.9,439 0.465,440 0.49,441 0.029,442 20.25,443 1.191,444 9.5,445 0.559,446 10.75,447 0.632,448 12.59,449 0.741,450 18.5,451 0.617,452 13.342,453 0.785,454 3.922,455 0.231,456 4.259,457 0.251,458 0.127,460 0.443,462 0.882,463 0.984,464 0.798,465 0.871,466 0.802,467 0.82,468 0.447,469 1.249,470 0.822,471 1.154,472 0.403,473 1.085,474 0.633,475 1.11,476 0.932,477 1.077,478 0.689,479 1.078,480 1.035,481 1.008,482 1.015,483 0.985,484 0.982,485 0.979,486 1.348,487 1.018,488 1.136,489 1.096,490 1.357,491 1.073,492 1.062,493 0.938,494 1.005,495 1.024,496 1.085,497 1.014,498 2.035,499 0.691,500 1.478,501 0.769,502 2.092,503 0.971,504 0.941,505 0.153,506 0.644,507 0.18,508 1.042,509 0.323,510 3,512 2.444,513 1.181,514 1.404,515 0.827,516 0.162,517 0.056,520 2012,521 6144,522 2.091,523 43.3,524 3,525 6,528 3,530 1,531 1.58,532 1.925,533 2.535,534 1.193,536 1,537 1,538 1,540 46.24,541 1.541,542 3.774,543 4.548,544 4.84,545 4.84,546 4.84,547 1.933,548 3.337,549 4.064,550 2.594,551 352.823,552 6.92,553 3114.21,555 1,557 1,558 147.207,559 1.496,560 4.004,561 0.158,563 0.087,564 0.041,565 0.052,566 0.041,567 0.015,568 0.028,571 0.422,572 0.67,573 1,574 0.922,575 67.201,576 -0.145,577 0.154,578 -0.019,579 0.183,580 -0.111,581 0.126,582 0.134,583 -0.144,584 -0.038,585 -0.109,586 0.156,587 -0.113,588 0.102,589 -0.083,590 -0.033,591 -0.093,592 0.015,593 -0.103,594 -0.129,595 -0.002,596 -0.055,597 -0.039,598 -0.121,599 -0.024,600 -0.178,601 -0.106,602 -0.121,603 -0.15,604 -0.145,605 -0.123,606 0.2,607 -0.11,608 0.086,609 -0.091,610 0.226,611 -0.04,612 -0.417,613 0.073,614 -0.283,615 0.11,616 -0.392,617 -0.032,618 0.011,619 0.537,620 0.617,621 0.709,622 -0.041,623 0.784,624 2.53,625 4.246,626 0.765,627 8.069,628 1.013,629 1.121,630 1.645,631 2.706,632 0.665,633 2.996,634 3.367,635 3.714,636 4.043,637 4.29,638 4.419,639 4.477,640 4.466,641 4.357,642 4.159,643 3.656,644 0.644,645 231.27,646 2.996,647 4.554,648 5.442,649 6.358,650 7.27,651 8.192,652 9.11,653 10.033,654 10.953,655 11.876,656 3.3,659 1,667 3,672 3,674 6,683 1,685 1,688 30,689 8,690 1,691 19,693 32,694 13,695 6,696 3,697 3,700 3,701 6,705 2,706 2,708 2,710 9,711 4,712 2,714 2,717 1,718 2,719 1,722 1,725 13,726 4,727 3,728 4,732 1,734 0.333,735 3,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,765 17,768 2,769 1,770 1,773 3,782 10,784 2,785 1,789 8.833,790 4.983,791 3.667,792 1.746,794 1.677,795 1.254,796 0.918,797 2.366,798 8.269,799 3.219,800 3.773,801 4.287,802 4.823,803 5.307,804 5.565,805 5.816,806 6.084,807 6.229,808 6.257,809 0.75,810 29,811 6.332,813 2.897,814 8.069,815 11.875,817 10.497,819 2.569,820 43.667,821 0.001,823 117.711,824 56.768,825 18.011,827 110.512,830 56.768,831 228.223,832 18.011,834 2.535,835 47.381,836 129.432,837 5.942,839 117.711,841 117.711,842 74.779,843 110.512,846 105.94,847 122.283,849 2.535,850 35.281,851 36.963,853 117.711,854 128.522,855 56.768,858 117.711,859 9.387,860 47.381,861 18.011,862 110.512,863 117.711,864 128.522,865 56.768,867 0.594,868 0.363,869 0.209,870 0.117,871 16,872 7,873 0.031,874 1,875 2,876 1.308,877 2.821,878 129.663,879 0.308,880 13,881 69.487,884 10.66,885 3.773,886 1.534,888 128.522,889 5.303,894 1.668,896 103.377,897 303.001,898 24,901 11.246,902 4.061,903 -0.863,905 30.385,906 33.618,907 0.314,908 0.769,909 0.927,910 0.986,911 0.986,912 0.986,913 4.494,914 0.61,915 5.46,916 2.268,917 4.043,918 4.454,919 2.429,920 6.354,921 4.006,922 5.695,923 -0.067,924 7.072,925 1.611,926 3.761,927 4.27,928 2.243,929 7.427,930 3.698,931 7.009,932 -0.525,933 8.79,934 -0.168,935 5.707,936 6.536,937 3.71,938 10.584,939 5.638,940 8.355,941 -0.866,942 10.567,943 -1.318,944 6.256,945 7.164,946 4.173,947 12.475,948 6.163,949 9.735,950 -1,951 12.382,952 -2,953 7.698,954 8.938,955 5.293,956 15.159,957 7.598,958 11.137,959 -1.31,960 14.222,961 -2.417,962 8.605,963 9.945,964 5.987,965 17.371,966 8.486,967 12.557,968 -1.425,969 16.08,970 -3.497,971 9.869,972 11.523,973 6.966,974 19.9,975 9.739,976 3.297,977 -1.581,978 17.95,979 -3.812,980 10.931,981 12.718,982 7.754,983 22.248,984 10.784,985 2.731,986 11.705,987 19.829,988 -4.966,989 12.133,990 14.208,991 8.671,992 24.725,993 11.974,994 2.421,995 9.277,996 21.716,997 4.074,998 13.262,999 15.5,1000 9.5,1001 27.133,1002 13.089,1003 1.784,1004 7.706,1005 23.61,1006 3.195,1007 14.447,1008 16.948,1009 10.389,1010 29.593,1011 14.26,1012 1.504,1013 5.053,1014 25.508,1015 2.848,1016 15.606,1017 18.291,1018 11.238,1019 32.027,1020 15.405,1021 1.246,1022 3.687,1023 27.411,1024 2.288,1025 16.788,1026 19.718,1027 12.114,1028 34.484,1029 16.574,1030 0.975,1031 2.993,1032 29.318,1033 2.077,1034 17.963,1035 21.089,1036 12.971,1037 36.93,1038 17.733,1039 2026,1040 3582,1041 12.542,1042 19.938,1043 29.635,1044 30.049,1045 30.598,1046 29.211,1047 29.137,1048 35.857,1049 7.025,1050 88.598,1051 28.553,1052 5.457,1053 5.816,1054 6.469,1055 5.324,1056 5.297,1057 7.074,1058 3.987,1059 19.348,1060 5.249,1061 7.99,1062 1.56,1063 1.582,1064 1.61,1065 1.537,1066 1.534,1067 1.887,1068 0.37,1069 4.663,1070 1.503,1071 4.062,1072 4.092,1073 4.004,1074 3.985,1075 7.474,1076 3.985,1077 3.714,1078 3.746,1079 3.632,1080 3.633,1081 6.469,1082 3.627,1083 3.468,1084 3.488,1085 3.4,1086 3.243,1087 6.351,1088 3.275,1089 2.99,1090 3.026,1091 2.89,1092 2.806,1093 4.693,1094 2.802,1095 2.953,1096 2.995,1097 2.836,1098 2.753,1099 4.375,1100 2.777,1101 2.764,1102 2.828,1103 2.589,1104 2.529,1105 4.006,1106 2.541,1107 2.484,1108 2.587,1109 2.269,1110 2.221,1111 3.467,1112 2.203,1113 2.388,1114 2.482,1115 2.131,1116 2.061,1117 3.299,1118 2.09,1119 0.237,1120 0.201,1121 0.365,1122 0.225,1123 0.174,1124 4.508,1125 0.214,1126 3.816,1127 0.125,1128 6.936,1129 0.616,1130 4.283,1131 0.171,1132 3.297,1133 4.074,1134 2.375,1135 11.705,1136 3.249,1137 1.962,1138 1.939,1139 2.056,1140 2.067,1141 1.378,1142 2.064,1143 1.618,1144 1.58,1145 1.809,1146 1.772,1147 1.039,1148 1.78,1149 1.49,1150 1.45,1151 1.672,1152 1.621,1153 0.808,1154 1.64,1155 1.142,1156 1.114,1157 1.341,1158 1.42,1159 0.511,1160 1.394,1161 0.875,1162 0.845,1163 1.07,1164 1.187,1165 0.112,1166 1.15,1167 0.727,1168 0.667,1169 0.995,1170 1.01,1171 0.069,1172 0.996,1173 0.408,1174 0.343,1175 0.764,1176 0.789,1178 0.803,1179 0.125,1181 0.678,1182 0.554,1184 0.587,1185 3.664,1186 5.017,1187 2.398,1188 6.583,1189 4.595,1190 8.257,1191 6.629,1192 9.991,1199 19.026,1200 0.768,1201 2.947,1204 -0.489,1209 19.327,1210 46.24,1211 113.233,1212 136.452,1213 145.207,1214 145.207,1215 145.207,1216 31.312,1217 6.592,1218 69.56,1219 69.56,1220 17,1221 12.383,1222 3.17,1223 2.585,1224 23.426,1225 41,1226 27,1227 0.334,1228 117.437,1229 209.65,1230 278.306,1231 5089,1233 11.991,1234 0.705,1235 0.537,1236 11.991,1237 9.129,1238 8.182,1239 0.431,1240 0.298,1241 5.599,1242 7.916,1243 5.523,1244 4.512,1245 8.182,1246 5.661,1247 7.638,1248 0.273,1249 0.163,1250 7.638,1251 4.555,1252 6.603,1253 0.165,1254 0.091,1255 6.603,1256 3.641,1257 5.801,1258 0.104,1259 0.051,1260 5.801,1261 2.849,1262 4.697,1263 0.065,1264 0.027,1265 4.697,1266 1.922,1267 0.477,1268 51.23,1269 0.282,1270 16.273,1271 1.069,1272 94,1273 272.368,1274 102.586,1275 262.184,1276 349.17,1277 242,1278 115,1279 249.669,1280 123.146,1281 251.551,1282 371.83,1283 238,1284 4.208}
{0 CHEMBL1527941,1 1.509,2 6.722,3 2.063,4 4.254,5 69.466,6 7.433,7 0.3,8 3.617,9 3.717,10 3.177,11 3.154,12 4.739,13 3.144,14 4.169,15 4.31,16 3.565,17 3.594,18 5.319,19 3.556,20 4.467,21 4.654,22 3.641,23 3.765,24 5.495,25 3.689,26 4.543,27 4.753,28 3.6,29 3.748,30 5.576,31 3.668,32 4.493,33 4.715,34 3.435,35 3.559,36 5.657,37 3.474,38 4.195,39 4.426,40 2.986,41 3.16,42 5.31,43 3.064,44 3.83,45 4.083,46 2.362,47 2.718,48 4.838,49 2.582,50 3.438,51 3.744,52 1.921,53 2.28,54 4.477,55 2.039,56 0.052,57 0.45,58 6.861,59 3.24,60 9.441,61 3.952,62 0.223,63 0.758,64 13.012,65 5.564,66 40.701,67 7.097,68 0.304,69 0.989,70 18.706,71 7.35,72 41.524,73 9.796,74 0.279,75 1.03,76 20.969,77 7.671,78 44.26,79 10.31,80 0.351,81 0.888,82 21.02,83 7.349,84 52.276,85 9.712,86 0.295,87 0.625,88 16.146,89 5.281,90 45.764,91 6.912,92 0.265,93 0.427,94 11.589,95 3.397,96 32.487,97 4.546,98 0.273,99 0.278,100 8.021,101 2.6,102 27.55,103 3.95,104 14,105 29,106 0.284,107 0.707,108 0.871,109 0.909,110 0.909,111 0.909,112 2.963,113 0.907,114 -3.14,115 -3.13,116 -3.01,118 42.4,120 1,121 2,122 1,124 1,128 2,131 3,132 1,133 2,142 1,151 1,153 1,154 8,157 2,160 1,162 3,163 1,164 10,165 1,169 3,172 1,173 1,174 5,176 7,177 2,180 3,185 4,187 5,188 4,192 6,194 1,196 4,199 4,200 2,204 4,209 2,212 2,218 1,229 1,232 1,253 276,254 12.232,255 12.232,256 12.232,257 12.232,258 12.232,259 11.143,260 18.826,261 7.027,262 12.465,263 9.804,264 9.804,265 9.804,266 9.804,267 9.804,268 8.083,269 27.56,270 3.225,271 10.091,272 3.535,273 1.284,274 0.409,275 0.205,276 0.205,277 0.205,278 3.638,281 1,282 1,283 258,284 2.646,285 26.6,286 64.072,288 48.182,289 54.641,291 1.167,292 20.305,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 39.5,304 121,305 4.467,306 3.813,307 6.892,308 4.263,309 3.275,310 3.998,311 2.375,312 11.556,313 3.234,314 3.965,315 3.382,316 6.166,317 3.676,318 2.694,319 3.21,320 0.86,321 8.925,322 2.642,323 3.618,324 2.814,325 5.59,326 3.34,327 2.359,328 2.837,329 0.68,330 7.186,331 2.303,332 3.455,333 2.458,334 5.221,335 3.108,336 2.166,337 2.67,338 0.458,339 6.48,340 2.028,341 2.882,342 2.249,343 4.541,344 2.55,345 1.556,346 1.968,348 4.196,349 1.534,350 2.708,351 1.596,352 3.837,353 2.195,354 1.196,355 1.611,357 2.81,358 1.187,359 2.162,360 1.153,361 3.486,362 1.831,363 0.841,364 1.04,365 2.059,366 0.831,367 1.806,368 1.064,369 3.365,370 1.644,371 0.694,372 0.75,373 1.738,374 0.653,375 1.624,376 0.9,377 2.889,378 1.339,379 0.443,380 0.5,382 0.757,383 0.393,384 0.962,385 0.49,386 2.606,387 0.668,388 -0.281,389 -0.323,391 -0.616,392 -0.263,393 0.663,394 0.081,395 2.451,396 0.304,397 -0.687,398 -0.845,400 -1.985,401 -0.68,402 0.46,403 -0.413,404 2.138,405 0.019,406 -0.973,407 -1.149,409 -2,410 -0.902,411 0.297,412 -0.556,413 1.768,414 -0.035,415 -1,416 -1.353,418 -2.78,419 -0.982,420 -0.038,421 -1.042,422 1.583,423 -0.292,424 -1.261,425 -1.592,427 -3.34,428 -1.213,429 -0.458,430 -1.101,431 1.475,432 -0.576,433 -1.571,434 -1.65,436 -4.259,437 -1.492,438 8.4,439 0.467,440 0.469,441 0.026,442 21,443 1.167,444 9.5,445 0.528,446 11.5,447 0.639,448 13.86,449 0.77,450 19.8,451 0.6,452 13.921,453 0.773,454 4.152,455 0.231,456 4.551,457 0.253,458 0.139,460 0.417,462 0.832,463 1.127,464 0.793,465 1.022,466 0.72,467 0.915,468 0.723,469 1.115,470 0.867,471 1.01,472 0.433,473 0.974,474 0.739,475 1.109,476 0.984,477 1.067,478 0.735,479 1.076,480 0.919,481 1.074,482 1.017,483 1.059,484 0.979,485 1.048,486 1.096,487 1,488 1.006,489 1.07,490 1.243,491 1.031,492 1.391,493 1.023,494 1.124,495 1.05,496 1.329,497 1.043,498 1.569,499 0.828,500 1.327,501 0.904,502 1.349,503 1.034,504 0.062,505 0.842,506 0.744,507 0.95,508 0.239,509 0.987,510 3.5,512 2.222,513 1.056,514 1.484,515 0.743,516 0.262,517 0.187,518 0.049,520 2423,521 7041,522 2.086,523 45.5,524 3,525 9,528 2,530 1,531 1.594,532 1.929,533 2.747,534 0.374,536 1,537 1,538 1,540 49.804,541 1.509,542 3.761,543 4.635,544 4.84,545 4.84,546 4.84,547 2.261,548 3.725,549 4.14,550 2.829,551 432.77,552 7.064,553 3899.25,554 1,555 1,557 1,558 166.465,559 1.481,560 4.09,561 0.175,563 0.077,564 0.035,565 0.053,566 0.034,567 0.02,568 0.031,569 0.016,571 0.441,572 0.83,573 1,574 1.015,575 73.728,576 -0.086,577 0.029,578 0.025,579 0.056,580 -0.072,581 0.064,582 0.061,583 -0.02,584 -0.003,585 0.032,586 0.171,587 0.005,588 0.021,589 -0.057,590 -0.084,591 -0.067,592 -0.016,593 -0.098,594 -0.094,595 -0.055,596 -0.081,597 -0.088,598 -0.116,599 -0.078,600 -0.036,601 -0.079,602 -0.008,603 -0.113,604 -0.037,605 -0.064,606 -0.163,607 -0.151,608 -0.083,609 -0.114,610 -0.108,611 -0.09,612 -0.285,613 0.058,614 -0.257,615 -0.014,616 -0.22,617 -0.106,618 0.735,619 -0.04,620 0.302,621 -0.02,622 0.453,623 0.041,624 2.449,625 4.315,626 0.722,627 10.222,628 1.008,629 1.122,630 1.908,631 3.642,632 0.658,633 3.045,634 3.401,635 3.738,636 4.06,637 4.331,638 4.466,639 4.564,640 4.625,641 4.554,642 4.304,643 4.058,644 0.632,645 245.3,646 3.045,647 4.595,648 5.476,649 6.385,650 7.292,651 8.208,652 9.123,653 10.041,654 10.959,655 11.878,656 3,659 1,667 3,672 3,674 6,683 1,686 1,688 33,689 8,690 1,691 20,693 35,694 14,695 6,696 3,697 3,700 3,701 6,705 2,706 2,708 2,710 9,711 5,712 2,714 2,717 1,718 2,719 1,722 1,725 15,726 4,727 2,728 4,732 1,734 0.333,735 3,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 1,765 18,768 1,769 1,770 1,771 1,773 3,782 9.1,784 1,785 1,787 1,789 9.333,790 5.95,791 3.972,792 1.897,794 1.663,795 1.248,796 0.935,797 2.784,798 8.37,799 3.258,800 3.795,801 4.307,802 4.847,803 5.368,804 5.641,805 5.922,806 6.202,807 6.355,808 6.324,809 0.8,810 30,811 6.682,813 2.956,814 7.898,815 12.709,817 10.968,819 2.398,820 43.167,821 0.001,823 153.024,824 72.894,825 18.011,827 78.828,830 72.894,831 231.852,832 18.011,833 10.883,834 2.535,835 47.381,836 86.749,837 22.186,839 153.024,841 153.024,842 90.905,843 78.828,846 141.253,847 90.599,849 2.535,850 51.407,851 36.963,853 153.024,854 96.839,855 72.894,858 153.024,859 14.63,860 58.264,861 18.011,862 78.828,863 153.024,864 96.839,865 72.894,867 0.585,868 0.358,869 0.203,870 0.117,871 16,872 7,873 0.057,874 2,875 2,876 1.308,877 2.94,878 138.24,879 0.308,880 13,881 75.059,884 11.601,885 4.32,886 1.825,888 96.839,889 5.74,894 2.838,896 60.694,897 322.758,898 25,901 11.315,902 4.182,903 -0.782,905 33.269,906 37.033,907 0.299,908 0.746,909 0.919,910 0.959,911 0.959,912 0.959,913 4.527,914 0.694,915 5.485,916 2.059,917 4.078,918 4.477,919 2.552,920 6.361,921 4.029,922 5.718,923 0.443,924 7.084,925 1.738,926 3.761,927 4.27,928 2.243,929 7.394,930 3.698,931 7.026,932 -0.281,933 8.785,934 0.757,935 5.727,936 6.543,937 3.737,938 10.534,939 5.645,940 8.365,941 -0.687,942 10.545,943 -0.616,944 6.236,945 7.128,946 4.173,947 12.387,948 6.143,949 9.735,950 -0.973,951 12.343,952 -1.985,953 7.686,954 8.906,955 5.297,956 15.06,957 7.581,958 11.126,959 -1,960 14.166,961 -2,962 8.561,963 9.859,964 5.987,965 17.251,966 8.447,967 12.534,968 -1.261,969 16.008,970 -2.78,971 9.824,972 11.436,973 6.966,974 19.771,975 9.7,976 3.275,977 -1.571,978 17.864,979 -3.34,980 10.865,981 12.582,982 7.754,983 22.106,984 10.733,985 2.694,986 11.556,987 19.731,988 -4.259,989 12.064,990 14.065,991 8.671,992 24.574,993 11.921,994 2.359,995 8.925,996 21.608,997 3.998,998 13.181,999 15.316,1000 9.5,1001 26.971,1002 13.028,1003 2.166,1004 7.186,1005 23.492,1006 3.21,1007 14.36,1008 16.753,1009 10.389,1010 29.422,1011 14.197,1012 1.556,1013 6.48,1014 25.382,1015 2.837,1016 15.511,1017 18.062,1018 11.238,1019 31.845,1020 15.338,1021 1.196,1022 4.196,1023 27.277,1024 2.67,1025 16.687,1026 19.475,1027 12.114,1028 34.292,1029 16.503,1030 0.841,1031 2.81,1032 29.177,1033 1.968,1034 17.854,1035 20.817,1036 12.971,1037 36.727,1038 17.659,1039 2442,1040 4206,1041 13.235,1042 21.699,1043 30.877,1044 31.337,1045 31.794,1046 30.431,1047 30.449,1048 37.169,1049 8.745,1050 91.412,1051 29.611,1052 5.415,1053 5.813,1054 6.439,1055 5.305,1056 5.275,1057 6.998,1058 3.987,1059 19.139,1060 5.234,1061 8.634,1062 1.544,1063 1.567,1064 1.59,1065 1.522,1066 1.522,1067 1.858,1068 0.437,1069 4.571,1070 1.481,1071 4.064,1072 4.094,1073 4.005,1074 3.987,1075 7.474,1076 3.987,1077 3.725,1078 3.754,1079 3.645,1080 3.637,1081 6.351,1082 3.633,1083 3.47,1084 3.492,1085 3.401,1086 3.245,1087 4.875,1088 3.277,1089 3.245,1090 3.302,1091 3.091,1092 2.965,1093 4.528,1094 2.981,1095 2.91,1096 2.968,1097 2.752,1098 2.792,1099 4.302,1100 2.774,1101 2.894,1102 2.953,1103 2.746,1104 2.637,1105 3.882,1106 2.646,1107 2.722,1108 2.8,1109 2.529,1110 2.526,1111 3.617,1112 2.528,1113 2.432,1114 2.545,1115 2.19,1116 2.219,1117 3.31,1118 2.196,1119 0.223,1120 0.191,1121 0.345,1122 0.213,1123 0.164,1124 4.467,1125 0.2,1126 3.813,1127 0.119,1128 6.892,1129 0.578,1130 4.263,1131 0.162,1132 3.275,1133 3.998,1134 2.375,1135 11.556,1136 3.234,1137 1.964,1138 1.941,1139 2.058,1140 2.069,1141 1.38,1142 2.067,1143 1.62,1144 1.583,1145 1.808,1146 1.783,1147 1.045,1148 1.785,1149 1.495,1150 1.456,1151 1.682,1152 1.64,1153 0.818,1154 1.658,1155 1.177,1156 1.113,1157 1.546,1158 1.478,1159 0.569,1160 1.495,1161 1.141,1162 1.101,1163 1.345,1164 1.412,1165 0.514,1166 1.394,1167 0.809,1168 0.756,1169 1.071,1170 1.114,1171 0.138,1172 1.087,1173 0.712,1174 0.646,1175 0.958,1176 0.931,1177 0.047,1178 0.969,1179 0.372,1180 0.306,1181 0.729,1182 0.706,1184 0.723,1185 3.714,1186 5.056,1187 2.398,1188 6.611,1189 4.595,1190 8.271,1191 6.629,1192 9.992,1194 1.639,1199 9.297,1200 0.811,1201 3.124,1202 5.235,1204 -0.231,1209 20.853,1210 49.804,1211 124.1,1212 152.955,1213 159.71,1214 159.71,1215 159.71,1216 29.486,1217 6.707,1218 58.56,1219 58.56,1220 17,1221 12.387,1222 3.17,1223 2.585,1224 25.511,1225 46,1226 46,1227 0.31,1228 127.029,1229 226.95,1230 301.711,1231 5887,1233 12.698,1234 0.705,1235 0.561,1236 12.698,1237 10.09,1238 8.703,1239 0.435,1240 0.302,1241 5.955,1242 8.345,1243 5.823,1244 4.791,1245 8.703,1246 6.044,1247 7.913,1248 0.273,1249 0.164,1250 7.913,1251 4.767,1252 6.89,1253 0.168,1254 0.094,1255 6.89,1256 3.836,1257 5.918,1258 0.104,1259 0.052,1260 5.918,1261 2.944,1262 4.947,1263 0.066,1264 0.027,1265 4.947,1266 2.023,1267 0.452,1268 54.895,1269 0.275,1270 17.38,1271 0.957,1272 98,1273 287.954,1274 107.36,1275 272.325,1276 365.27,1277 254,1278 119,1279 260.184,1280 127.589,1281 263.183,1282 386.12,1283 247,1284 4}
{0 CHEMBL1528814,1 1.509,2 5.889,3 2.063,4 4.254,5 69.466,6 7.433,7 0.3,8 3.617,9 3.717,10 3.177,11 3.154,12 4.74,13 3.144,14 4.169,15 4.31,16 3.565,17 3.594,18 5.312,19 3.556,20 4.468,21 4.654,22 3.676,23 3.765,24 5.504,25 3.695,26 4.553,27 4.754,28 3.665,29 3.756,30 5.607,31 3.695,32 4.528,33 4.737,34 3.478,35 3.607,36 5.689,37 3.535,38 4.302,39 4.541,40 3.093,41 3.268,42 5.48,43 3.147,44 3.937,45 4.209,46 2.393,47 2.766,48 5.018,49 2.606,50 3.438,51 3.738,52 1.064,53 2.1,54 4.437,55 1.819,56 0.052,57 0.45,58 6.861,59 3.24,60 9.461,61 3.952,62 0.223,63 0.758,64 13.012,65 5.564,66 40.567,67 7.097,68 0.326,69 0.989,70 18.708,71 7.368,72 41.277,73 9.866,74 0.298,75 1.041,76 21.137,77 7.541,78 45.106,79 10.01,80 0.366,81 0.935,82 21.551,83 7.295,84 52.224,85 9.435,86 0.452,87 0.693,88 18.051,89 6.107,90 57.112,91 8.25,92 0.265,93 0.454,94 13.165,95 4.067,96 37.722,97 5.523,98 0.224,99 0.255,100 8.44,101 2.336,102 37.349,103 3.23,104 14,105 29,106 0.284,107 0.707,108 0.871,109 0.909,110 0.909,111 0.909,112 2.964,113 0.907,114 -3.14,115 -3.13,116 -3.01,118 42.4,120 1,121 2,122 1,124 1,128 2,131 3,132 1,133 2,142 1,151 1,153 1,154 9,157 1,160 1,162 2,163 1,164 10,165 1,169 3,172 2,173 1,174 5,176 6,177 2,180 4,185 5,187 5,188 3,192 5,193 1,196 3,199 4,200 2,203 1,204 4,207 1,209 2,212 2,213 1,217 1,222 1,253 272,254 12.284,255 12.284,256 12.284,257 12.284,258 12.284,259 11.167,260 17.058,261 7.069,262 12.507,263 9.798,264 9.798,265 9.798,266 9.798,267 9.798,268 8.064,269 24.092,270 3.201,271 10.073,272 3.535,273 1.284,274 0.409,275 0.205,276 0.205,277 0.205,278 3.638,281 1,282 1,283 227,284 2.646,285 25.952,286 63.087,288 46.559,289 53.962,291 0.815,292 20.742,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 39.5,304 106,305 4.516,306 3.817,307 6.944,308 4.287,309 3.302,310 4.086,311 2.375,312 11.747,313 3.251,314 3.998,315 3.414,316 6.323,317 3.735,318 2.759,319 3.205,320 0.86,321 9.45,322 2.689,323 3.671,324 2.93,325 5.841,326 3.417,327 2.437,328 2.864,329 0.68,330 7.85,331 2.375,332 3.173,333 2.304,334 5.013,335 2.819,336 1.851,337 2.327,338 0.458,339 5.388,340 1.782,341 2.921,342 2.117,343 4.314,344 2.489,345 1.51,346 2.077,348 3.764,349 1.47,350 2.702,351 1.479,352 3.878,353 2.256,354 1.265,355 1.621,357 3.017,358 1.242,359 2.294,360 1.447,361 3.48,362 2.001,363 1.027,364 1.202,365 2.317,366 0.995,367 1.785,368 1.013,369 3.369,370 1.607,371 0.635,372 0.707,373 1.637,374 0.613,375 1.624,376 0.897,377 2.954,378 1.332,379 0.436,380 0.494,382 0.749,383 0.386,384 0.958,385 0.496,386 2.519,387 0.659,388 -0.294,389 -0.336,391 -0.674,392 -0.275,393 0.717,394 0.088,395 2.461,396 0.359,397 -0.617,398 -0.772,400 -1.453,401 -0.599,402 0.451,403 -0.329,404 2.175,405 0.025,406 -0.948,407 -1.107,409 -2,410 -0.895,411 0.3,412 -0.588,413 1.768,414 -0.016,415 -1,416 -1.33,418 -2.579,419 -0.973,420 -0.069,421 -0.992,422 1.676,423 -0.348,424 -1.333,425 -1.598,427 -3.81,428 -1.326,429 -0.458,430 -1.232,431 1.49,432 -0.574,433 -1.567,434 -1.792,436 -4.214,437 -1.47,438 8.4,439 0.467,440 0.452,441 0.025,442 21,443 1.167,444 9.5,445 0.528,446 11.5,447 0.639,448 14.005,449 0.778,450 19.8,451 0.6,452 14.055,453 0.781,454 4.167,455 0.231,456 4.553,457 0.253,458 0.139,460 0.417,462 0.832,463 1.127,464 0.793,465 1.022,466 0.718,467 0.915,468 0.723,469 1.115,470 0.867,471 1.01,472 0.445,473 0.974,474 0.659,475 1.109,476 0.922,477 1.065,478 0.71,479 1.055,480 1.04,481 1.094,482 1.017,483 1.04,484 0.994,485 1.016,486 1.329,487 1.009,488 1.157,489 1.078,490 1.313,491 1.074,492 0.923,493 0.987,494 1.005,495 1.074,496 0.994,497 1.068,498 1.36,499 0.861,500 1.132,501 0.935,502 1.323,503 0.988,504 1.653,505 0.684,506 1.419,507 0.78,508 2.298,509 1.021,510 3,512 2.444,513 1.181,514 1.444,515 0.917,516 0.284,517 0.096,520 2335,521 6673,522 2.086,523 45.5,524 3,525 9,528 2,530 1,531 1.598,532 1.929,533 2.617,534 0.374,536 1,537 1,538 1,540 49.804,541 1.509,542 3.761,543 4.635,544 4.84,545 4.84,546 4.84,547 1.891,548 3.614,549 4.145,550 2.676,551 409.419,552 7.086,553 3769.94,554 1,555 1,557 1,558 166.465,559 1.481,560 4.09,561 0.15,563 0.084,564 0.038,565 0.048,566 0.04,567 0.02,568 0.016,571 0.397,572 0.83,573 1,574 1.015,575 73.112,576 -0.086,577 0.029,578 0.025,579 0.056,580 -0.07,581 0.064,582 0.061,583 -0.02,584 -0.003,585 0.032,586 0.159,587 0.005,588 0.104,589 -0.057,590 -0.02,591 -0.064,592 0.011,593 -0.076,594 -0.121,595 -0.065,596 -0.072,597 -0.077,598 -0.118,599 -0.061,600 -0.181,601 -0.051,602 -0.159,603 -0.135,604 -0.119,605 -0.134,606 0.193,607 -0.127,608 0.024,609 -0.125,610 0.123,611 -0.092,612 -0.158,613 -0.049,614 -0.055,615 -0.021,616 -0.066,617 -0.02,618 -0.32,619 0.074,620 -0.29,621 0.094,622 -0.438,623 -0.067,624 2.467,625 4.375,626 0.722,627 9.346,628 1.008,629 1.122,630 1.908,631 3.642,632 0.658,633 3.045,634 3.401,635 3.761,636 4.094,637 4.344,638 4.489,639 4.585,640 4.575,641 4.489,642 4.304,643 3.85,644 0.632,645 245.3,646 3.045,647 4.595,648 5.485,649 6.399,650 7.313,651 8.234,652 9.154,653 10.078,654 11,655 11.924,656 3,659 1,667 3,672 3,674 6,683 1,686 1,688 33,689 8,690 1,691 20,693 35,694 14,695 6,696 3,697 3,700 3,701 6,705 2,706 2,708 2,710 9,711 5,712 2,714 2,717 1,718 2,719 1,722 1,725 15,726 4,727 2,728 4,732 1,734 0.333,735 3,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 1,765 18,768 1,769 1,770 1,771 1,773 3,782 9.1,784 1,785 1,787 1,789 9.333,790 5.95,791 4,792 1.904,794 1.681,795 1.251,796 0.935,797 2.784,798 8.388,799 3.258,800 3.795,801 4.327,802 4.87,803 5.357,804 5.63,805 5.92,806 6.157,807 6.327,808 6.356,809 0.75,810 31,811 6.687,813 2.963,814 7.898,815 12.709,817 10.973,819 2.398,820 43.167,821 0.001,823 153.024,824 72.894,825 18.011,827 78.828,830 72.894,831 231.852,832 18.011,833 10.883,834 2.535,835 47.381,836 86.749,837 22.186,839 153.024,841 153.024,842 90.905,843 78.828,846 141.253,847 90.599,849 2.535,850 51.407,851 36.963,853 153.024,854 96.839,855 72.894,858 153.024,859 14.63,860 58.264,861 18.011,862 78.828,863 153.024,864 96.839,865 72.894,867 0.583,868 0.366,869 0.214,870 0.119,871 16,872 7,873 0.057,874 2,875 2,876 1.308,877 2.906,878 139.808,879 0.308,880 13,881 75.059,884 11.601,885 4.32,886 1.736,888 96.839,889 5.837,894 2.656,896 60.694,897 322.758,898 25,901 11.375,902 4.182,903 -0.801,905 33.269,906 37.033,907 0.299,908 0.746,909 0.919,910 0.959,911 0.959,912 0.959,913 4.527,914 0.635,915 5.493,916 2.317,917 4.078,918 4.477,919 2.552,920 6.389,921 4.029,922 5.718,923 0.436,924 7.104,925 1.637,926 3.761,927 4.27,928 2.243,929 7.469,930 3.698,931 7.029,932 -0.294,933 8.82,934 0.749,935 5.74,936 6.556,937 3.737,938 10.625,939 5.655,940 8.375,941 -0.617,942 10.598,943 -0.674,944 6.275,945 7.181,946 4.173,947 12.522,948 6.174,949 9.755,950 -0.948,951 12.413,952 -1.453,953 7.729,954 8.96,955 5.297,956 15.204,957 7.613,958 11.159,959 -1,960 14.254,961 -2,962 8.631,963 9.97,964 5.987,965 17.42,966 8.498,967 12.58,968 -1.333,969 16.112,970 -2.579,971 9.898,972 11.549,973 6.966,974 19.949,975 9.752,976 3.302,977 -1.567,978 17.982,979 -3.81,980 10.958,981 12.749,982 7.754,983 22.299,984 10.797,985 2.759,986 11.747,987 19.862,988 -4.214,989 12.162,990 14.239,991 8.671,992 24.777,993 11.987,994 2.437,995 9.45,996 21.75,997 4.086,998 13.291,999 15.536,1000 9.5,1001 27.186,1002 13.101,1003 1.851,1004 7.85,1005 23.644,1006 3.205,1007 14.476,1008 16.985,1009 10.389,1010 29.648,1011 14.273,1012 1.51,1013 5.388,1014 25.543,1015 2.864,1016 15.636,1017 18.333,1018 11.238,1019 32.084,1020 15.418,1021 1.265,1022 3.764,1023 27.446,1024 2.327,1025 16.818,1026 19.761,1027 12.114,1028 34.543,1029 16.586,1030 1.027,1031 3.017,1032 29.353,1033 2.077,1034 17.993,1035 21.136,1036 12.971,1037 36.991,1038 17.746,1039 2359,1040 4035,1041 13.235,1042 21.699,1043 30.869,1044 31.328,1045 32.034,1046 30.424,1047 30.442,1048 37.168,1049 8.745,1050 91.837,1051 29.606,1052 5.466,1053 5.817,1054 6.533,1055 5.329,1056 5.302,1057 7.086,1058 3.987,1059 19.403,1060 5.251,1061 8.481,1062 1.543,1063 1.566,1064 1.602,1065 1.521,1066 1.522,1067 1.858,1068 0.437,1069 4.592,1070 1.48,1071 4.065,1072 4.094,1073 4.007,1074 3.987,1075 7.474,1076 3.987,1077 3.723,1078 3.753,1079 3.641,1080 3.637,1081 6.351,1082 3.632,1083 3.468,1084 3.488,1085 3.401,1086 3.244,1087 4.875,1088 3.275,1089 3.244,1090 3.31,1091 3.061,1092 2.971,1093 4.506,1094 2.981,1095 2.977,1096 3.02,1097 2.873,1098 2.79,1099 4.3,1100 2.792,1101 2.833,1102 2.903,1103 2.654,1104 2.634,1105 4.005,1106 2.631,1107 2.72,1108 2.793,1109 2.537,1110 2.525,1111 3.489,1112 2.53,1113 2.422,1114 2.531,1115 2.182,1116 2.216,1117 3.337,1118 2.192,1119 0.226,1120 0.191,1121 0.347,1122 0.214,1123 0.165,1124 4.516,1125 0.204,1126 3.817,1127 0.119,1128 6.944,1129 0.587,1130 4.287,1131 0.163,1132 3.302,1133 4.086,1134 2.375,1135 11.747,1136 3.251,1137 1.964,1138 1.941,1139 2.057,1140 2.07,1141 1.38,1142 2.066,1143 1.62,1144 1.582,1145 1.81,1146 1.778,1147 1.045,1148 1.784,1149 1.494,1150 1.454,1151 1.682,1152 1.636,1153 0.818,1154 1.654,1155 1.207,1156 1.153,1157 1.562,1158 1.506,1159 0.574,1160 1.52,1161 1.112,1162 1.063,1163 1.334,1164 1.397,1165 0.506,1166 1.38,1167 0.822,1168 0.768,1169 1.017,1170 1.137,1171 0.112,1172 1.105,1173 0.693,1174 0.631,1175 0.984,1176 0.879,1177 0.074,1178 0.918,1179 0.376,1180 0.308,1181 0.734,1182 0.725,1184 0.741,1185 3.714,1186 5.056,1187 2.398,1188 6.619,1189 4.595,1190 8.291,1191 6.629,1192 10.025,1194 1.601,1199 9.343,1200 0.811,1201 3.123,1202 5.31,1204 -0.27,1209 20.853,1210 49.804,1211 124.1,1212 152.955,1213 159.71,1214 159.71,1215 159.71,1216 30.068,1217 6.707,1218 58.56,1219 58.56,1220 17,1221 12.43,1222 3.17,1223 2.585,1224 25.399,1225 44,1226 38,1227 0.323,1228 127.029,1229 226.95,1230 301.711,1231 5879,1233 12.698,1234 0.705,1235 0.561,1236 12.698,1237 10.09,1238 8.72,1239 0.436,1240 0.302,1241 5.961,1242 8.369,1243 5.832,1244 4.8,1245 8.72,1246 6.05,1247 7.829,1248 0.27,1249 0.163,1250 7.829,1251 4.738,1252 6.918,1253 0.165,1254 0.092,1255 6.918,1256 3.844,1257 6.135,1258 0.104,1259 0.051,1260 6.135,1261 3.007,1262 4.962,1263 0.065,1264 0.027,1265 4.962,1266 2.04,1267 0.466,1268 54.996,1269 0.275,1270 17.207,1271 1.026,1272 98,1273 287.954,1274 107.36,1275 272.163,1276 365.87,1277 254,1278 120,1279 261.184,1280 129.143,1281 263.973,1282 389.49,1283 248,1284 4.599}
{0 CHEMBL1529645,1 1.724,2 10.852,3 4.192,4 17.576,5 105.867,6 9.379,7 0.4,8 3.888,9 3.977,10 3.637,11 3.525,12 5.079,13 3.508,14 4.413,15 4.524,16 4.081,17 3.973,18 5.674,19 3.928,20 4.766,21 4.934,22 4.194,23 4.14,24 5.921,25 4.064,26 4.817,27 5.004,28 4.275,29 4.081,30 6.077,31 4.018,32 4.721,33 4.911,34 3.927,35 3.915,36 5.991,37 3.856,38 4.53,39 4.728,40 3.848,41 3.754,42 5.792,43 3.683,44 4.372,45 4.57,46 3.639,47 3.64,48 5.547,49 3.542,50 4.198,51 4.388,52 3.656,53 3.531,54 5.402,55 3.449,56 0.118,57 0.569,58 5.566,59 3.595,60 15.843,61 3.987,62 0.281,63 0.95,64 10.509,65 6.473,66 45.614,67 7.691,68 0.52,69 1.297,70 24.691,71 9.923,72 68.62,73 11.743,74 0.702,75 1.34,76 32.647,77 10.448,78 89.44,79 11.957,80 0.622,81 1.195,82 25.707,83 9.607,84 86.547,85 10.682,86 0.544,87 0.987,88 21.234,89 7.956,90 72.834,91 9.197,92 0.444,93 0.825,94 20.826,95 7.075,96 57.393,97 8.294,98 0.352,99 0.685,100 16.2,101 6.06,102 47.967,103 7.393,104 27,105 44,106 0.298,107 0.685,108 0.844,109 0.922,110 0.931,111 0.931,112 3.34,113 0.926,114 -4.87,115 -4.77,116 -4.48,118 46.5,120 1,121 2,124 1,128 2,131 6,132 2,133 4,142 2,151 1,153 1,154 10,157 1,160 2,162 6,163 1,164 17,165 1,169 2,172 1,173 1,174 8,176 10,177 2,180 7,185 8,187 10,188 4,192 6,195 1,196 6,199 8,200 2,204 4,209 5,212 11,217 2,220 1,222 1,223 1,225 9,230 2,232 1,233 1,234 1,237 9,243 1,247 3,250 10,251 1,253 1000,254 17.947,255 17.947,256 17.947,257 17.947,258 17.947,259 15.937,260 25.235,261 10.269,262 18.28,263 14.788,264 14.788,265 14.788,266 14.788,267 14.788,268 11.715,269 36.612,270 4.849,271 15.424,272 3.702,273 1.468,274 0.547,275 0.093,276 0.047,277 0.047,278 4.033,279 2,281 1,282 1,283 637,284 3.391,285 51.995,286 198.159,288 91.054,289 97.368,291 1.583,292 36.717,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 58.667,304 293,305 4.472,306 3.813,307 6.892,308 4.264,309 3.276,310 4.024,311 2.375,312 11.557,313 3.237,314 4.349,315 3.628,316 6.409,317 3.96,318 2.995,319 3.965,320 1.058,321 9.736,322 2.88,323 3.971,324 3.374,325 6.166,326 3.676,327 2.691,328 3.23,329 0.68,330 8.926,331 2.644,332 3.707,333 3.059,334 5.594,335 3.363,336 2.396,337 3.024,338 0.458,339 7.228,340 2.317,341 3.584,342 2.674,343 5.358,344 3.247,345 2.296,346 2.806,348 6.871,349 2.142,350 3.426,351 2.62,352 5.069,353 3.028,354 2.095,355 2.665,357 6.057,358 1.906,359 3.069,360 2.326,361 4.583,362 2.564,363 1.671,364 2.221,365 4.477,366 1.535,367 2.881,368 2.204,369 4.535,370 2.544,371 1.554,372 1.968,373 4.188,374 1.369,375 2.709,376 1.593,377 3.866,378 2.197,379 1.2,380 1.684,382 2.959,383 1.188,384 2.656,385 1.574,386 3.82,387 2.148,388 1.159,389 1.606,391 2.81,392 1.119,393 2.151,394 1.07,395 3.482,396 1.826,397 0.83,398 1.023,400 2.059,401 0.826,402 1.784,403 0.959,404 3.362,405 1.607,406 0.632,407 0.703,409 1.688,410 0.612,411 1.35,412 0.665,413 2.912,414 1.025,415 0.086,416 0.102,418 0.223,419 0.074,420 1.247,421 0.526,422 2.658,423 0.742,424 -0.157,425 -0.201,427 -0.376,428 -0.125,429 0.796,430 0.388,431 2.461,432 0.427,433 -0.515,434 -0.621,436 -1.242,437 -0.293,438 13.229,439 0.49,440 0.822,441 0.03,442 34.25,443 1.269,444 17,445 0.63,446 17.25,447 0.639,448 23.206,449 0.859,450 28.171,451 0.655,452 26.101,453 0.967,454 6.627,455 0.245,456 6.308,457 0.234,458 0.184,460 0.416,462 0.709,463 1.01,464 0.539,465 0.73,466 0.639,467 0.729,468 0.47,469 1.215,470 0.613,471 0.945,472 0.424,473 0.97,474 0.813,475 1.132,476 0.895,477 1.009,478 0.787,479 1.051,480 0.933,481 1.058,482 0.76,483 0.97,484 0.947,485 0.968,486 1.236,487 0.963,488 0.789,489 0.932,490 1.355,491 0.98,492 0.963,493 0.995,494 0.69,495 0.904,496 1.047,497 0.949,498 1.035,499 0.885,500 1.012,501 0.934,502 1.061,503 0.997,504 0.796,505 0.875,506 0.783,507 0.807,508 0.962,509 0.832,510 6,511 0.179,512 3.556,513 2.118,514 2.057,515 1.118,516 0.464,517 0.451,518 0.328,519 0.197,520 8723,521 30963,522 2.075,523 37.2,524 3,525 9,528 3,530 1,531 1.7,532 1.906,533 3.371,534 0.945,536 1,540 74.136,541 1.724,542 3.958,543 4.88,544 5.333,545 5.38,546 5.38,547 2.852,548 4.459,549 4.728,550 3.539,551 1242.02,552 8.201,553 15614.1,555 1,557 1,558 233.329,559 1.506,560 4.668,561 0.2,562 0.009,563 0.081,564 0.046,565 0.047,566 0.031,567 0.015,568 0.018,569 0.013,570 0.009,571 0.469,572 0.33,573 1,574 0.803,575 133.116,576 -0.096,577 0.091,578 -0.012,579 0.104,580 -0.072,581 0.084,582 0.137,583 -0.151,584 -0.003,585 -0.079,586 0.152,587 -0.107,588 -0.028,589 -0.108,590 -0.066,591 -0.077,592 -0.036,593 -0.099,594 0.011,595 -0.04,596 0.112,597 -0.024,598 -0.002,599 0.003,600 -0.169,601 0.021,602 -0.042,603 0.009,604 -0.144,605 -0.008,606 -0.004,607 -0.006,608 0.098,609 0.047,610 -0.026,611 0.047,612 -0.099,613 0.086,614 -0.064,615 0.052,616 -0.119,617 0.019,618 0.093,619 0.075,620 0.155,621 0.189,622 -0.006,623 0.196,624 2.519,625 5.537,626 0.704,627 23.226,628 1.021,629 1.112,630 3.635,631 13.215,632 0.725,633 3.434,634 3.807,635 4.111,636 4.419,637 4.654,638 4.787,639 4.89,640 5.043,641 5.124,642 5.193,643 6.294,644 0.699,645 403.28,646 3.434,647 5.004,648 5.878,649 6.783,650 7.676,651 8.585,652 9.484,653 10.395,654 11.297,655 12.21,656 4.7,659 1,660 1,667 6,672 6,674 12,678 1,683 1,687 2,688 43,689 15,690 2,691 30,693 46,694 20,695 12,696 6,697 6,698 1,700 4,701 7,702 2,705 2,706 2,708 2,710 16,711 4,712 2,714 3,717 2,718 2,719 2,722 1,725 16,726 5,727 3,728 7,729 2,732 2,734 0.5,735 3,743 1,744 3,746 1,747 1,751 1,752 2,755 1,757 2,762 2,765 27,768 1,769 1,770 2,773 3,781 2,782 7,784 1,785 2,789 14.167,790 7.486,791 5.778,792 2.496,794 2.599,795 1.335,796 0.978,797 4.888,798 10.349,799 3.689,800 4.277,801 4.8,802 5.348,803 5.846,804 6.105,805 6.366,806 6.732,807 7.008,808 7.301,809 1,810 46,811 10.027,813 4.522,814 8.021,815 18.684,817 16.103,819 2.521,820 68.056,822 1,823 153.024,824 102.845,825 36.022,826 78.297,827 92.973,830 102.845,831 324.295,832 36.022,834 20.545,835 75.81,836 116.598,837 18.886,839 153.024,840 78.297,841 153.024,842 138.866,843 92.973,844 78.297,846 141.253,847 104.744,849 20.545,850 81.358,851 115.261,853 153.024,854 128.995,855 181.142,858 153.024,859 27.035,860 75.81,861 36.022,862 171.27,863 153.024,864 128.995,865 181.142,867 0.596,868 0.353,869 0.196,870 0.105,871 23,872 11,873 0.065,874 3,875 2,876 1.211,877 3.788,878 240.612,879 0.211,880 19,881 128.382,884 18.355,885 7.19,886 3.449,888 128.995,889 10.134,894 3.455,896 78.705,897 463.161,898 39,901 24.1,902 4.058,903 -1.184,905 43.902,906 47.834,907 0.318,908 0.729,909 0.899,910 0.983,911 0.991,912 0.991,913 4.963,914 1.554,915 5.894,916 4.477,917 4.489,918 4.963,919 2.609,920 6.756,921 4.413,922 6.179,923 1.2,924 7.488,925 4.188,926 4.205,927 4.82,928 2.243,929 7.745,930 4.065,931 7.496,932 1.159,933 9.18,934 2.959,935 6.133,936 7.09,937 3.77,938 10.871,939 6.012,940 8.842,941 0.83,942 10.928,943 2.81,944 6.635,945 7.705,946 4.173,947 12.674,948 6.474,949 10.215,950 0.632,951 12.713,952 2.059,953 8.07,954 9.496,955 5.307,956 15.332,957 7.916,958 11.608,959 0.086,960 14.522,961 1.688,962 8.925,963 10.469,964 5.987,965 17.481,966 8.747,967 13.017,968 -0.157,969 16.35,970 0.223,971 10.177,972 12.059,973 6.968,974 19.982,975 9.996,976 3.276,977 -0.515,978 18.193,979 -0.376,980 11.196,981 13.217,982 7.754,983 22.285,984 10.998,985 2.995,986 11.557,987 20.047,988 -1.242,989 12.381,990 14.711,991 8.671,992 24.733,993 12.176,994 2.691,995 9.736,996 21.91,997 4.024,998 13.476,999 15.969,1000 9.5,1001 27.106,1002 13.258,1003 2.396,1004 8.926,1005 23.781,1006 3.965,1007 14.64,1008 17.413,1009 10.389,1010 29.54,1011 14.413,1012 2.296,1013 7.228,1014 25.658,1015 3.23,1016 15.772,1017 18.727,1018 11.238,1019 31.945,1020 15.533,1021 2.095,1022 6.871,1023 27.541,1024 3.024,1025 16.932,1026 20.144,1027 12.114,1028 34.378,1029 16.684,1030 1.671,1031 6.057,1032 29.429,1033 2.806,1034 18.082,1035 21.489,1036 12.971,1037 36.801,1038 17.823,1039 8344,1040 15833,1041 19.709,1042 31.182,1043 46.419,1044 47.942,1045 47.869,1046 46.115,1047 45.763,1048 58.038,1049 9.142,1050 137.556,1051 43.692,1052 5.42,1053 5.813,1054 6.363,1055 5.31,1056 5.276,1057 7.024,1058 3.987,1059 19.141,1060 5.237,1061 15.042,1062 1.547,1063 1.598,1064 1.596,1065 1.537,1066 1.525,1067 1.935,1068 0.305,1069 4.585,1070 1.456,1071 4.075,1072 4.106,1073 4.107,1074 3.998,1075 7.474,1076 3.998,1077 3.921,1078 3.934,1079 3.997,1080 3.872,1081 7.429,1082 3.864,1083 3.725,1084 3.761,1085 3.67,1086 3.644,1087 6.351,1088 3.638,1089 3.472,1090 3.497,1091 3.591,1092 3.249,1093 5.006,1094 3.28,1095 3.309,1096 3.326,1097 3.402,1098 3.109,1099 4.778,1100 3.137,1101 2.951,1102 2.979,1103 3.313,1104 2.81,1105 4.624,1106 2.797,1107 2.896,1108 2.96,1109 2.973,1110 2.793,1111 4.418,1112 2.77,1113 2.879,1114 2.922,1115 2.786,1116 2.745,1117 4.107,1118 2.746,1119 0.149,1120 0.127,1121 0.23,1122 0.142,1123 0.109,1124 4.472,1125 0.134,1126 3.813,1127 0.079,1128 6.892,1129 0.385,1130 4.264,1131 0.108,1132 3.276,1133 4.024,1134 2.375,1135 11.557,1136 3.237,1137 1.977,1138 1.951,1139 2.066,1140 2.08,1141 1.382,1142 2.078,1143 1.882,1144 1.87,1145 1.933,1146 1.953,1147 1.081,1148 1.959,1149 1.623,1150 1.585,1151 1.808,1152 1.779,1153 1.043,1154 1.785,1155 1.501,1156 1.458,1157 1.676,1158 1.636,1159 0.828,1160 1.654,1161 1.173,1162 1.151,1163 1.353,1164 1.434,1165 0.516,1166 1.394,1167 1.14,1168 1.113,1169 1.262,1170 1.397,1171 0.284,1172 1.376,1173 0.869,1174 0.824,1175 1.1,1176 1.107,1177 0.169,1178 1.077,1179 0.837,1180 0.805,1181 1.053,1182 1.016,1183 0.131,1184 1.054,1185 4.111,1186 5.468,1187 2.398,1188 7.018,1189 4.595,1190 8.665,1191 6.629,1192 10.365,1195 11.98,1199 9.487,1200 0.713,1201 5.955,1204 -0.643,1209 30.057,1210 74.136,1211 170.21,1212 209.82,1213 229.329,1214 231.329,1215 231.329,1216 58.453,1217 7.749,1218 78.43,1219 78.43,1220 23,1221 12.725,1222 4,1223 3.322,1224 40.293,1225 104,1226 103,1227 0.195,1228 188.94,1229 338.35,1230 452.774,1231 24367,1232 4.7,1233 19.129,1234 0.708,1235 0.577,1236 20.129,1237 15.589,1238 12.936,1239 0.431,1240 0.309,1241 8.484,1242 12.004,1243 8.278,1244 6.758,1245 13.513,1246 9.258,1247 12.278,1248 0.279,1249 0.171,1250 13.057,1251 7.538,1252 10.247,1253 0.171,1254 0.094,1255 10.841,1256 5.61,1257 8.996,1258 0.11,1259 0.052,1260 9.773,1261 4.283,1262 7.015,1263 0.067,1264 0.027,1265 7.345,1266 2.776,1267 0.305,1268 86.513,1269 0.225,1270 25.707,1271 0.54,1272 148,1273 450.693,1274 189.789,1275 496.728,1276 646.18,1277 458,1278 178,1279 418.254,1280 209.391,1281 443.149,1282 651.99,1283 418,1284 4}
{0 CHEMBL1554052,1 1.412,2 5.611,3 3.051,4 9.31,5 73.085,6 6.952,7 0.3,8 3.649,9 3.764,10 3.156,11 3.23,12 4.71,13 3.19,14 4.215,15 4.38,16 3.575,17 3.687,18 5.289,19 3.619,20 4.528,21 4.719,22 3.688,23 3.878,24 5.511,25 3.781,26 4.67,27 4.893,28 3.684,29 3.903,30 5.644,31 3.802,32 4.659,33 4.893,34 3.5,35 3.794,36 5.717,37 3.667,38 4.481,39 4.751,40 2.983,41 3.487,42 5.455,43 3.284,44 4.207,45 4.542,46 2.223,47 2.849,48 5.184,49 2.59,50 3.299,51 3.649,52 0.778,53 1.698,54 4.29,55 1.421,56 0.036,57 0.477,58 7.756,59 3.527,60 7.501,61 4.617,62 0.154,63 0.819,64 14.318,65 6.219,66 34.668,67 8.496,68 0.22,69 1.086,70 20.278,71 8.211,72 33.585,73 11.351,74 0.218,75 1.208,76 24.217,77 8.866,78 37.168,79 12.384,80 0.245,81 1.114,82 24.499,83 8.982,84 46.113,85 12.274,86 0.165,87 0.883,88 20.788,89 7.904,90 39.223,91 11.026,92 0.253,93 0.586,94 17.194,95 5.395,96 50.889,97 7.69,98 0.187,99 0.202,100 7.315,101 1.863,102 33.333,103 2.567,104 18,105 30,106 0.262,107 0.65,108 0.816,109 0.848,110 0.89,111 0.89,112 2.965,113 0.953,114 -3.93,115 -3.89,116 -3.69,118 42.9,119 2,120 1,121 2,124 1,128 2,131 2,132 3,133 1,142 1,151 1,153 1,154 12,160 1,162 3,163 1,164 15,165 1,169 1,172 1,173 1,174 6,176 12,177 2,180 2,185 6,187 12,188 4,192 4,196 4,199 11,200 3,204 3,209 3,212 4,213 2,217 2,222 2,253 248,254 11.914,255 11.914,256 11.914,257 11.914,258 11.914,259 10.692,260 15.964,261 6.736,262 11.964,263 9.834,264 9.834,265 9.834,266 9.834,267 9.834,268 8.027,269 21.461,270 3.134,271 9.928,272 3.717,273 1.623,274 0.729,275 0.557,276 0.329,277 0.329,278 3.633,280 1,281 1,282 1,283 215,284 2.55,285 25.398,286 62.379,288 45.88,289 53.378,291 0.877,292 18.263,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 38.5,304 101,305 4.583,306 3.822,307 7.044,308 4.334,309 3.345,310 4.204,311 2.375,312 12.093,313 3.308,314 4.011,315 3.463,316 6.38,317 3.787,318 2.793,319 3.2,320 0.68,321 9.581,322 2.772,323 3.696,324 2.825,325 5.842,326 3.433,327 2.446,328 2.961,329 0.458,330 7.833,331 2.407,332 3.405,333 2.493,334 5.247,335 3.059,336 2.059,337 2.612,339 5.929,340 2.051,341 3.018,342 2.041,343 4.596,344 2.643,345 1.652,346 2.182,348 4.514,349 1.635,350 2.714,351 1.875,352 4.223,353 2.32,354 1.328,355 1.632,357 3.442,358 1.301,359 2.316,360 1.396,361 3.488,362 2.022,363 1.029,364 1.218,365 2.369,366 1.021,367 1.799,368 0.949,369 3.455,370 1.594,371 0.614,372 0.698,373 1.635,374 0.599,375 1.411,376 0.569,377 2.926,378 1.156,379 0.16,380 0.19,382 0.352,383 0.159,384 0.97,385 0.463,386 2.738,387 0.728,388 -0.256,389 -0.285,391 -0.763,392 -0.25,393 0.46,394 0.129,395 2.436,396 0.119,397 -0.863,398 -0.981,400 -2,401 -0.839,402 0.339,403 -0.526,404 2.068,406 -1,407 -1.209,409 -2.389,410 -0.969,411 0.219,412 -0.683,413 1.768,414 -0.008,415 -1,416 -1.326,418 -2.486,419 -1,420 -0.139,421 -0.991,422 1.498,423 -0.384,424 -1.372,425 -1.598,427 -3.874,428 -1.375,429 -0.246,430 -1.288,431 1.488,432 -0.544,433 -1.543,434 -1.803,436 -4.097,437 -1.539,438 8.567,439 0.476,440 0.58,441 0.032,442 20,443 1.111,444 9,445 0.5,446 11,447 0.611,448 16.073,449 0.893,450 19.633,451 0.561,452 12.767,453 0.709,454 3.78,455 0.21,456 4.813,457 0.267,458 0.195,460 0.467,462 0.794,463 1.068,464 0.863,465 0.978,466 0.722,467 0.933,468 0.396,469 1.09,470 0.789,471 0.995,472 0.347,473 0.952,474 0.653,475 1.186,476 0.998,477 1.121,478 0.706,479 1.112,480 1.013,481 1.063,482 1.046,483 1.025,484 0.912,485 1.026,486 1.199,487 1.018,488 1.122,489 1.09,490 1.15,491 1.09,492 0.894,493 1.146,494 1.092,495 1.237,496 0.956,497 1.207,498 1.423,499 0.69,500 0.919,501 0.738,502 1.51,503 0.765,504 2.636,505 0.144,506 1.114,507 0.169,508 2.847,509 0.407,510 3.5,512 2.667,513 1.493,514 1.705,515 0.969,516 0.244,517 0.056,520 2271,521 5653,522 2.053,523 48.6,524 9,525 5,528 2,530 1,531 1.599,532 1.862,533 2.555,534 0.32,536 1,538 1,540 49.435,541 1.412,542 3.506,543 4.4,544 4.572,545 4.8,546 4.8,547 1.955,548 3.197,549 4.146,550 2.628,551 402.096,552 7.093,553 3688.12,554 1,555 1,557 1,558 179.525,559 1.53,560 4.071,561 0.175,563 0.089,564 0.047,565 0.055,566 0.04,567 0.02,568 0.014,571 0.44,572 1,573 1,574 0.946,575 72.72,576 -0.08,577 0.09,578 0.02,579 0.109,580 -0.079,581 0.084,582 0.213,583 0.006,584 0.104,585 0.059,586 0.21,587 0.065,588 0.092,589 -0.123,590 -0.078,591 -0.109,592 -0.01,593 -0.123,594 -0.098,595 -0.023,596 -0.086,597 -0.062,598 -0.086,599 -0.066,600 -0.111,601 -0.053,602 -0.139,603 -0.13,604 -0.044,605 -0.132,606 -0.004,607 -0.27,608 -0.122,609 -0.274,610 0.005,611 -0.225,612 -0.072,613 0.079,614 0.154,615 0.14,616 -0.055,617 0.172,618 -0.439,619 0.55,620 0.084,621 0.635,622 -0.455,623 0.456,624 2.416,625 4.413,626 0.722,627 9.111,628 0.995,629 1.121,630 2.704,631 7.314,632 0.657,633 3.045,634 3.434,635 3.784,636 4.127,637 4.394,638 4.522,639 4.595,640 4.554,641 4.511,642 4.344,643 3.75,644 0.619,645 243.33,646 3.045,647 4.615,648 5.509,649 6.435,650 7.354,651 8.284,652 9.211,653 10.141,654 11.07,655 12,656 2.9,659 1,667 2,672 4,674 6,683 1,688 35,689 8,690 1,691 20,693 37,694 15,695 6,696 4,697 2,700 3,701 6,704 2,705 2,706 2,708 2,710 9,711 6,712 2,714 2,717 1,718 2,719 1,722 1,725 17,726 3,727 2,728 3,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 2,765 18,768 1,769 1,770 1,773 3,782 5.7,784 1,785 1,789 9.667,790 6.7,791 3.861,792 2.147,794 1.685,795 1.251,796 0.945,797 2.614,798 8.396,799 3.258,800 3.839,801 4.366,802 4.915,803 5.424,804 5.681,805 5.918,806 6.161,807 6.369,808 6.399,809 0.75,810 32,811 6.706,813 2.978,814 7.796,815 12.949,817 11.376,819 2.296,820 41.333,821 0.002,823 176.567,824 71.313,825 18.011,827 67.828,830 71.313,831 244.395,832 18.011,833 17.65,834 2.535,835 37.905,836 86.749,837 12.313,839 176.567,841 176.567,842 89.324,843 67.828,846 164.795,847 79.599,849 20.185,850 32.176,851 36.963,853 176.567,854 85.839,855 71.313,858 176.567,859 15.758,860 55.555,861 18.011,862 67.828,863 176.567,864 85.839,865 71.313,867 0.6,868 0.368,869 0.211,870 0.122,871 17,872 8,873 0.027,874 1,875 2,876 1.308,877 2.856,878 141.913,879 0.308,880 13,881 75.059,884 11.638,885 4.043,886 1.664,888 85.839,889 4.18,894 4.676,896 60.694,897 333.719,898 25,901 11.413,902 4.288,903 -0.75,905 34.825,906 39.239,907 0.275,908 0.684,909 0.858,910 0.891,911 0.936,912 0.936,913 4.549,914 0.614,915 5.541,916 2.369,917 4.111,918 4.522,919 2.429,920 6.454,921 4.09,922 5.766,923 0.16,924 7.168,925 1.635,926 3.892,927 4.443,928 2.243,929 7.561,930 3.862,931 7.095,932 -0.256,933 8.897,934 0.352,935 5.796,936 6.647,937 3.71,938 10.726,939 5.755,940 8.455,941 -0.863,942 10.684,943 -0.763,944 6.382,945 7.364,946 4.173,947 12.648,948 6.331,949 9.847,950 -1,951 12.507,952 -2,953 7.806,954 9.101,955 5.293,956 15.352,957 7.744,958 11.261,959 -1,960 14.355,961 -2.389,962 8.737,963 10.183,964 5.987,965 17.603,966 8.665,967 12.693,968 -1.372,969 16.222,970 -2.486,971 9.998,972 11.746,973 6.966,974 20.156,975 9.914,976 3.345,977 -1.543,978 18.101,979 -3.874,980 11.078,981 13.005,982 7.754,983 22.543,984 10.984,985 2.793,986 12.093,987 19.992,988 -4.097,989 12.286,990 14.498,991 8.671,992 25.048,993 12.181,994 2.446,995 9.581,996 21.891,997 4.204,998 13.432,999 15.845,1000 9.5,1001 27.492,1002 13.316,1003 2.059,1004 7.833,1005 23.797,1006 3.2,1007 14.626,1008 17.306,1009 10.389,1010 29.983,1011 14.499,1012 1.652,1013 5.929,1014 25.709,1015 2.961,1016 15.8,1017 18.697,1018 11.238,1019 32.452,1020 15.663,1021 1.328,1022 4.514,1023 27.625,1024 2.612,1025 16.994,1026 20.145,1027 12.114,1028 34.939,1029 16.846,1030 1.029,1031 3.442,1032 29.546,1033 2.182,1034 18.182,1035 21.557,1036 12.971,1037 37.42,1038 18.023,1039 2306,1040 3690,1041 12.948,1042 23.006,1043 31.409,1044 31.652,1045 32.55,1046 30.876,1047 30.851,1048 37.792,1049 7.025,1050 95.498,1051 30.508,1052 5.533,1053 5.822,1054 6.514,1055 5.375,1056 5.345,1057 7.204,1058 3.987,1059 19.744,1060 5.308,1061 9.575,1062 1.57,1063 1.583,1064 1.627,1065 1.544,1066 1.543,1067 1.89,1068 0.351,1069 4.775,1070 1.525,1071 4.08,1072 4.111,1073 4.023,1074 4.014,1075 7.474,1076 4.012,1077 3.748,1078 3.786,1079 3.658,1080 3.676,1081 6.351,1082 3.666,1083 3.475,1084 3.501,1085 3.405,1086 3.263,1087 4.767,1088 3.288,1089 3.289,1090 3.362,1091 3.114,1092 3.14,1093 4.414,1094 3.126,1095 2.983,1096 3.038,1097 2.868,1098 2.794,1099 4.058,1100 2.797,1101 2.869,1102 2.977,1103 2.604,1104 2.651,1105 3.91,1106 2.611,1107 2.78,1108 2.85,1109 2.545,1110 2.533,1111 3.536,1112 2.547,1113 2.564,1114 2.671,1115 2.346,1116 2.33,1117 3.342,1118 2.32,1119 0.229,1120 0.191,1121 0.352,1122 0.217,1123 0.167,1124 4.583,1125 0.21,1126 3.822,1127 0.119,1128 7.044,1129 0.605,1130 4.334,1131 0.165,1132 3.345,1133 4.204,1134 2.375,1135 12.093,1136 3.308,1137 2,1138 1.976,1139 2.099,1140 2.089,1141 1.405,1142 2.093,1143 1.636,1144 1.597,1145 1.827,1146 1.795,1147 1.11,1148 1.803,1149 1.513,1150 1.469,1151 1.715,1152 1.639,1153 0.875,1154 1.667,1155 1.341,1156 1.271,1157 1.652,1158 1.539,1159 0.746,1160 1.581,1161 1.101,1162 1.074,1163 1.339,1164 1.399,1165 0.486,1166 1.371,1167 0.92,1168 0.809,1169 1.317,1170 1.189,1171 0.396,1172 1.246,1173 0.775,1174 0.707,1175 0.997,1176 1.096,1177 0.104,1178 1.073,1179 0.437,1180 0.373,1181 0.772,1182 0.737,1184 0.76,1185 3.714,1186 5.081,1187 2.398,1188 6.658,1189 4.595,1190 8.343,1191 6.629,1192 10.09,1194 4.132,1199 9.381,1200 0.849,1201 3.237,1204 -0.073,1209 21.665,1210 49.435,1211 122.716,1212 154.015,1213 160.015,1214 168.015,1215 168.015,1216 30.022,1217 6.711,1218 49.33,1219 49.33,1220 17,1221 12.502,1222 3.17,1223 2.585,1224 25.371,1225 44,1226 31,1227 0.333,1228 132.625,1229 235.46,1230 315.365,1231 5822,1233 12.861,1234 0.715,1235 0.589,1236 12.861,1237 10.604,1238 8.592,1239 0.43,1240 0.318,1241 6.307,1242 8.394,1243 6.081,1244 5.037,1245 8.592,1246 6.354,1247 8.175,1248 0.273,1249 0.177,1250 8.175,1251 5.302,1252 7.03,1253 0.163,1254 0.098,1255 7.03,1256 4.212,1257 6.145,1258 0.101,1259 0.054,1260 6.145,1261 3.287,1262 5.165,1263 0.065,1264 0.03,1265 5.165,1266 2.384,1267 0.476,1268 53.116,1269 0.278,1270 17.091,1271 1.073,1272 100,1273 248.218,1274 106.482,1275 243.202,1276 331.02,1277 226,1278 123,1279 241.638,1280 129.097,1281 247.22,1282 365.34,1283 233,1284 4}
{0 CHEMBL1566708,1 1.663,2 7.364,3 2.306,4 5.316,5 81.539,6 8.009,7 0.25,8 3.77,9 3.866,10 3.378,11 3.258,12 4.988,13 3.269,14 4.32,15 4.451,16 3.775,17 3.697,18 5.67,19 3.686,20 4.629,21 4.813,22 3.877,23 3.865,24 5.751,25 3.831,26 4.691,27 4.871,28 3.954,29 3.881,30 5.918,31 3.866,32 4.707,33 4.881,34 3.91,35 3.781,36 6.069,37 3.779,38 4.582,39 4.773,40 3.691,41 3.533,42 5.922,43 3.545,44 4.396,45 4.559,46 3.426,47 3.231,48 6.138,49 3.258,50 4.104,51 4.352,52 2.501,53 2.901,54 5.354,55 2.741,56 0.203,57 0.543,58 7.113,59 3.541,60 15.592,61 4.174,62 0.436,63 0.886,64 13.857,65 6.181,66 77.256,67 7.66,68 0.616,69 1.131,70 21.591,71 7.995,72 68.928,73 10.416,74 0.67,75 1.18,76 22.873,77 7.973,78 84.75,79 10.42,80 0.857,81 1.084,82 24.29,83 7.952,84 101.768,85 10.066,86 0.786,87 0.895,88 22.847,89 6.472,90 97.411,91 8.253,92 1.044,93 0.681,94 19.426,95 4.674,96 177.274,97 5.509,98 0.723,99 0.489,100 16.268,101 4.191,102 106.705,103 5.754,104 36,105 35,106 0.299,107 0.712,108 0.875,109 0.894,110 0.894,111 0.894,112 3.149,113 0.892,114 -3.44,115 -3.42,116 -3.27,118 39.5,119 1,120 1,121 2,123 1,124 1,128 2,131 2,132 1,133 3,142 1,150 2,151 1,153 1,154 7,156 1,157 4,160 1,162 2,163 1,164 9,165 1,169 5,172 2,173 1,174 5,176 5,177 2,179 1,180 7,183 2,185 4,187 5,188 3,191 2,192 11,193 1,194 1,196 3,199 3,200 2,203 1,204 11,205 2,207 1,209 2,212 3,216 2,217 6,218 1,220 2,222 1,225 2,229 1,232 1,237 2,251 1,253 524,254 14.646,255 14.646,256 14.646,257 14.646,258 14.646,259 13.252,260 22.814,261 8.533,262 14.967,263 11.81,264 11.81,265 11.81,266 11.81,267 11.81,268 9.618,269 33.429,270 3.928,271 12.237,272 3.585,273 1.295,274 0.388,275 0.283,276 0.283,277 0.283,278 3.823,280 1,281 1,282 1,283 339,284 3.391,285 36.501,286 83.299,288 63.689,289 71.44,291 1.248,292 37.631,293 1,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 50,304 162,305 4.601,306 3.857,307 6.978,308 4.315,309 3.332,310 4.292,311 2.612,312 11.878,313 3.277,314 4.146,315 3.77,316 6.456,317 3.864,318 2.885,319 3.474,320 2.375,321 9.911,322 2.819,323 3.828,324 3.364,325 5.95,326 3.475,327 2.491,328 3.162,329 0.86,330 8.136,331 2.441,332 3.601,333 2.854,334 5.308,335 3.217,336 2.281,337 2.842,338 0.68,339 6.748,340 2.126,341 3.419,342 2.52,343 5.289,344 3.015,345 2.041,346 2.616,347 0.458,348 6.13,349 1.979,350 2.906,351 2.258,352 4.469,353 2.468,354 1.482,355 1.974,357 3.903,358 1.447,359 2.718,360 1.744,361 3.871,362 2.176,363 1.178,364 1.622,365 2.778,366 1.17,367 2.283,368 1.496,369 3.514,370 2.022,371 1.104,372 1.214,373 2.191,374 1.002,375 2.12,376 1.256,377 3.458,378 1.845,379 0.851,380 1.041,382 2.04,383 0.844,384 1.778,385 1,386 3.23,387 1.601,388 0.626,389 0.695,391 1.553,392 0.606,393 1.248,394 0.985,395 2.785,396 0.949,397 -0.01,398 -0.011,400 -0.023,401 -0.009,402 1,403 0.582,404 2.644,405 0.402,406 -0.554,407 -0.608,409 -1.075,410 -0.518,411 0.794,412 0.255,413 2.407,414 0.364,415 -0.612,416 -0.779,418 -1.845,419 -0.604,420 0.571,421 -0.218,422 2.056,423 0.033,424 -0.949,425 -1.147,427 -2,428 -0.912,429 0.416,430 -0.346,431 1.773,433 -1,434 -1.33,436 -2,437 -0.975,438 9.967,439 0.453,440 0.648,441 0.029,442 26.75,443 1.216,444 12.5,445 0.568,446 14.25,447 0.648,448 17.923,449 0.815,450 24.833,451 0.654,452 20.576,453 0.935,454 5.136,455 0.233,456 5.388,457 0.245,458 0.184,460 0.441,462 0.607,463 1.124,464 0.71,465 1.03,466 0.595,467 0.926,468 0.571,469 1.22,470 0.763,471 1.122,472 0.355,473 1.023,474 0.76,475 1.043,476 0.871,477 0.998,478 0.596,479 0.978,480 0.84,481 1.1,482 0.903,483 1.056,484 0.881,485 1.001,486 1.039,487 1.128,488 0.982,489 1.142,490 1.096,491 1.061,492 1.335,493 1.065,494 1.053,495 1.04,496 1.364,497 0.976,498 1.643,499 0.87,500 1.437,501 0.939,502 1.566,503 1.077,504 1.212,505 0.662,506 1.393,507 0.806,508 1.568,509 1.098,510 4.5,512 2.667,513 1.493,514 1.955,515 1.354,516 0.735,517 0.284,518 0.101,519 0.04,520 3935,521 13627,522 2.017,523 42.1,524 3,525 7,528 2,530 4,531 1.656,532 1.833,533 2.851,534 0.393,535 1,536 1,538 1,540 63.208,541 1.663,542 3.953,543 4.86,544 4.965,545 4.965,546 4.965,547 2.465,548 3.914,549 4.428,550 2.979,551 688.193,552 7.666,553 7236.9,554 1,555 1,557 1,558 199.421,559 1.544,560 4.36,561 0.188,563 0.076,564 0.039,565 0.049,566 0.038,567 0.026,568 0.015,569 0.017,570 0.013,571 0.461,572 0.33,573 1,574 1.283,575 97.477,576 0.066,577 0.117,578 0.031,579 0.094,580 -0.028,581 0.052,582 0.135,583 -0.09,584 0.046,585 -0.023,586 0.237,587 -0.017,588 -0.007,589 0.009,590 0.025,591 0.027,592 0.008,593 0.027,594 -0.02,595 -0.037,596 0.006,597 -0.061,598 -0.073,599 -0.026,600 -0.003,601 -0.152,602 -0.013,603 -0.166,604 -0.064,605 -0.103,606 -0.166,607 -0.142,608 -0.019,609 -0.119,610 -0.164,611 -0.043,612 -0.115,613 0.037,614 -0.348,615 -0.087,616 0.138,617 -0.237,618 -0.067,619 0.132,620 -0.279,621 0.09,622 -0.222,623 -0.114,624 2.66,625 4.473,626 0.591,627 15.438,628 1.027,629 1.13,630 2.212,631 4.892,632 0.648,633 3.219,634 3.584,635 3.912,636 4.263,637 4.554,638 4.754,639 4.92,640 4.97,641 4.934,642 4.82,643 4.564,644 0.64,645 304.33,646 3.219,647 4.779,648 5.659,649 6.578,650 7.491,651 8.418,652 9.342,653 10.273,654 11.201,655 12.132,656 5.3,659 1,664 1,667 2,672 4,674 6,683 1,684 1,686 1,688 38,689 10,690 1,691 24,693 40,694 15,695 6,696 4,697 2,700 3,701 6,704 1,705 2,706 2,708 2,710 9,711 6,712 2,714 4,715 1,717 3,718 2,719 1,721 1,722 1,725 16,726 6,727 2,728 7,732 2,734 0.333,735 5,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 1,765 22,768 1,769 2,770 1,771 1,773 3,782 13.2,784 1,785 1,787 1,788 2,789 12,790 6.9,791 4.861,792 2.382,794 1.824,795 1.257,796 0.915,797 3.892,798 8.923,799 3.466,800 4.034,801 4.535,802 5.119,803 5.669,804 6.026,805 6.412,806 6.608,807 6.793,808 6.853,809 1,810 38,811 8.214,813 3.715,814 8.242,815 15.056,817 12.786,819 2.742,820 60.333,823 164.795,824 68.709,825 23.681,827 129.575,830 68.709,831 294.371,832 23.681,833 14.495,834 7.127,835 37.905,836 86.749,837 24.942,839 164.795,840 50.747,841 164.795,842 92.39,843 129.575,846 117.711,847 125.913,848 50.747,849 15.952,850 33.805,851 42.633,853 164.795,854 153.256,855 68.709,858 164.795,859 21.979,860 52.4,861 18.011,862 129.575,863 164.795,864 153.256,865 68.709,867 0.584,868 0.349,869 0.205,870 0.122,871 18,872 9,873 0.1,874 4,875 2,876 1.308,877 3.19,878 184.23,879 0.308,880 13,881 96.107,884 15.005,885 5.706,886 2.522,888 147.586,889 3.109,894 1.302,896 60.694,897 386.761,898 31,899 -0.508,901 34.158,902 3.862,903 -0.993,905 39.025,906 42.95,907 0.317,908 0.753,909 0.926,910 0.946,911 0.946,912 0.946,913 4.741,914 1.104,915 5.68,916 2.778,917 4.263,918 4.718,919 3.179,920 6.575,921 4.205,922 5.954,923 0.851,924 7.292,925 2.191,926 4.007,927 4.691,928 2.946,929 7.642,930 3.935,931 7.282,932 0.626,933 9.007,934 2.04,935 5.927,936 6.864,937 4.651,938 10.796,939 5.826,940 8.642,941 -0.01,942 10.78,943 1.553,944 6.479,945 7.632,946 5.04,947 12.672,948 6.367,949 10.033,950 -0.554,951 12.59,952 -0.023,953 7.909,954 9.339,955 6.366,956 15.361,957 7.777,958 11.446,959 -0.612,960 14.425,961 -1.075,962 8.813,963 10.458,964 7.004,965 17.57,966 8.67,967 12.875,968 -0.949,969 16.277,970 -1.845,971 10.071,972 12.002,973 8.156,974 20.105,975 9.912,976 3.332,977 -1,978 18.143,979 -2,980 11.132,981 13.288,982 8.921,983 22.456,984 10.96,985 2.885,986 11.878,987 20.019,988 -2,989 12.333,990 14.772,991 9.983,992 24.94,993 12.146,994 2.491,995 9.911,996 21.904,997 4.292,998 13.463,999 16.14,1000 10.82,1001 27.354,1002 13.262,1003 2.281,1004 8.136,1005 23.796,1006 3.474,1007 14.649,1008 17.603,1009 11.833,1010 29.822,1011 14.433,1012 2.041,1013 6.748,1014 25.694,1015 3.162,1016 15.812,1017 19.012,1018 12.712,1019 32.265,1020 15.581,1021 1.482,1022 6.13,1023 27.597,1024 2.842,1025 16.997,1026 20.468,1027 13.697,1028 34.73,1029 16.751,1030 1.178,1031 3.903,1032 29.504,1033 2.616,1034 18.175,1035 21.898,1036 14.604,1037 37.186,1038 17.914,1039 4016,1040 7567,1041 15.433,1042 24.614,1043 36.965,1044 38.474,1045 38.711,1046 36.579,1047 36.545,1048 45.861,1049 13.97,1050 110.535,1051 35.426,1052 5.551,1053 5.857,1054 6.745,1055 5.36,1056 5.332,1057 7.292,1058 4.612,1059 19.575,1060 5.277,1061 12.729,1062 1.54,1063 1.603,1064 1.613,1065 1.524,1066 1.523,1067 1.911,1068 0.582,1069 4.606,1070 1.476,1071 4.097,1072 4.124,1073 4.056,1074 3.999,1075 7.815,1076 4.005,1077 3.808,1078 3.838,1079 3.749,1080 3.663,1081 7.474,1082 3.671,1083 3.545,1084 3.586,1085 3.476,1086 3.278,1087 6.999,1088 3.297,1089 3.461,1090 3.483,1091 3.391,1092 3.228,1093 6.351,1094 3.246,1095 3.373,1096 3.419,1097 3.223,1098 3.021,1099 4.83,1100 3.101,1101 2.968,1102 3.006,1103 2.862,1104 2.766,1105 4.513,1106 2.777,1107 2.806,1108 2.869,1109 2.65,1110 2.535,1111 4.261,1112 2.562,1113 2.665,1114 2.737,1115 2.519,1116 2.4,1117 3.924,1118 2.45,1119 0.192,1120 0.161,1121 0.291,1122 0.18,1123 0.139,1124 4.601,1125 0.179,1126 3.857,1127 0.109,1128 6.978,1129 0.495,1130 4.315,1131 0.137,1132 3.332,1133 4.292,1134 2.612,1135 11.878,1136 3.277,1137 1.981,1138 1.959,1139 2.057,1140 2.128,1141 1.385,1142 2.097,1143 1.632,1144 1.597,1145 1.824,1146 1.848,1147 1.059,1148 1.818,1149 1.521,1150 1.478,1151 1.781,1152 1.753,1153 0.936,1154 1.739,1155 1.448,1156 1.382,1157 1.658,1158 1.684,1159 0.814,1160 1.688,1161 1.201,1162 1.173,1163 1.356,1164 1.52,1165 0.516,1166 1.48,1167 1.055,1168 1.031,1169 1.191,1170 1.38,1171 0.145,1172 1.351,1173 0.762,1174 0.71,1175 1.015,1176 1.117,1177 0.117,1178 1.075,1179 0.567,1180 0.519,1181 0.929,1182 0.88,1183 0.025,1184 0.909,1185 3.892,1186 5.242,1187 2.398,1188 6.797,1189 4.595,1190 8.462,1191 6.629,1192 10.194,1194 1.808,1199 9.394,1200 1.047,1201 2.85,1202 5.413,1204 -1.109,1209 24.304,1210 63.208,1211 150.202,1212 184.666,1213 188.666,1214 188.666,1215 188.666,1216 53.965,1217 7.099,1218 104.38,1219 104.38,1220 17,1221 12.634,1222 3.459,1223 3,1224 34.039,1225 62,1226 68,1227 0.297,1228 148.481,1229 270.19,1230 354.053,1231 9411,1233 15.853,1234 0.721,1235 0.545,1236 15.853,1237 11.983,1238 10.524,1239 0.439,1240 0.297,1241 7.012,1242 9.927,1243 6.905,1244 5.658,1245 10.524,1246 7.137,1247 9.764,1248 0.279,1249 0.155,1250 9.764,1251 5.41,1252 7.989,1253 0.163,1254 0.086,1255 7.989,1256 4.195,1257 7.122,1258 0.102,1259 0.047,1260 7.122,1261 3.293,1262 5.944,1263 0.063,1264 0.024,1265 5.944,1266 2.252,1267 0.435,1268 67.514,1269 0.255,1270 20.77,1271 0.917,1272 118,1273 423.07,1274 134.202,1275 394.024,1276 515.94,1277 362,1278 143,1279 371.458,1280 158.101,1281 363.693,1282 533.15,1283 342,1284 4}
{0 CHEMBL1570401,1 1.692,2 6.842,3 1.973,4 3.894,5 70.328,6 8.396,7 0.286,8 3.583,9 3.677,10 3.232,11 3.117,12 4.842,13 3.127,14 4.116,15 4.23,16 3.64,17 3.58,18 5.536,19 3.563,20 4.465,21 4.65,22 3.71,23 3.745,24 5.627,25 3.694,26 4.546,27 4.747,28 3.673,29 3.697,30 5.749,31 3.658,32 4.414,33 4.611,34 3.509,35 3.474,36 5.727,37 3.446,38 4.157,39 4.369,40 3.184,41 3.058,42 5.563,43 3.049,44 3.769,45 3.969,46 2.707,47 2.465,48 5.253,49 2.53,50 3.096,51 3.286,52 2.053,53 1.603,54 4.727,55 1.728,56 0.184,57 0.456,58 5.19,59 2.788,60 18.121,61 3.143,62 0.338,63 0.76,64 9.421,65 5.051,66 73.769,67 5.999,68 0.466,69 1.001,70 16.786,71 6.908,72 64.5,73 8.883,74 0.609,75 1.003,76 20.319,77 7.09,78 100.539,79 8.911,80 0.57,81 0.823,82 18.24,83 6.298,84 91.501,85 7.728,86 0.559,87 0.597,88 15.22,89 4.34,90 78.489,91 5.501,92 0.464,93 0.351,94 11.029,95 2.543,96 83.24,97 2.752,98 0.347,99 0.146,100 6.164,101 1.141,102 55.876,103 1.143,104 21,105 31,106 0.318,107 0.725,108 0.854,109 0.895,110 0.907,111 0.907,112 3.013,113 0.86,114 -3.41,115 -3.39,116 -3.25,118 41.9,120 1,121 2,124 1,128 2,131 3,132 1,133 2,142 1,150 2,151 1,153 1,154 8,156 1,157 2,160 1,162 3,163 1,164 10,165 1,169 7,172 1,173 1,174 5,176 7,177 2,180 7,185 4,187 5,188 4,192 8,194 1,196 4,199 4,200 2,204 8,207 2,209 2,212 2,217 4,218 1,229 1,231 2,232 1,241 2,245 2,253 342,254 12.569,255 12.569,256 12.569,257 12.569,258 12.569,259 11.175,260 19.466,261 7.167,262 12.679,263 10.345,264 10.345,265 10.345,266 10.345,267 10.345,268 8.231,269 28.662,270 3.351,271 10.522,272 3.262,273 1.096,274 0.411,275 0.194,276 0.129,277 0.129,278 3.685,280 1,281 1,282 1,283 275,284 3,285 29.327,286 69.264,288 52.678,289 59.108,291 1.219,292 31.319,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 43,304 130,305 4.492,306 3.82,307 6.894,308 4.267,309 3.279,310 4.113,311 2.612,312 11.562,313 3.239,314 4.158,315 3.775,316 6.197,317 3.764,318 2.784,319 3.595,320 2.375,321 9.048,322 2.725,323 3.818,324 3.36,325 5.847,326 3.452,327 2.468,328 3.081,329 0.68,330 7.842,331 2.417,332 3.558,333 2.577,334 5.56,335 3.263,336 2.286,337 2.723,338 0.458,339 7.092,340 2.227,341 2.95,342 2.271,343 4.545,344 2.552,345 1.559,346 2.053,348 4.211,349 1.536,350 2.875,351 1.898,352 3.895,353 2.267,354 1.273,355 1.965,357 2.983,358 1.263,359 2.701,360 1.587,361 3.769,362 2.174,363 1.175,364 1.601,365 2.809,366 1.168,367 2.135,368 1.068,369 3.465,370 1.82,371 0.822,372 1.006,373 2.059,374 0.82,375 1.773,376 1,377 3.346,378 1.572,379 0.595,380 0.677,382 1.584,383 0.577,384 1.099,385 0.933,386 2.696,387 0.749,388 -0.228,389 -0.277,391 -0.61,392 -0.221,393 1,394 0.504,395 2.462,396 0.305,397 -0.687,398 -0.845,400 -1.987,401 -0.68,402 0.665,403 0.091,404 2.286,405 0.031,406 -0.972,407 -1.209,409 -2,410 -0.925,411 0.471,412 -0.419,413 1.858,415 -1,416 -1.366,418 -2,419 -0.99,420 0.306,421 -0.631,422 1.765,423 -0.029,424 -1,425 -1.6,427 -3.004,428 -1,429 -0.021,430 -1.042,431 1.507,432 -0.284,433 -1.267,434 -1.699,436 -3.43,437 -1.254,438 8.633,439 0.454,440 0.597,441 0.031,442 24.25,443 1.276,444 12,445 0.632,446 12.25,447 0.645,448 13.472,449 0.709,450 20.767,451 0.67,452 17.082,453 0.899,454 4.693,455 0.247,456 4.382,457 0.231,458 0.154,460 0.452,462 0.533,463 0.978,464 0.673,465 0.867,466 0.58,467 0.826,468 0.375,469 1.24,470 0.759,471 1.158,472 0.326,473 1.095,474 0.583,475 1.124,476 0.912,477 1.12,478 0.531,479 1.118,480 0.956,481 0.996,482 1.012,483 0.999,484 0.891,485 1.01,486 1.081,487 1.026,488 1.034,489 1.12,490 1.048,491 1.079,492 1.232,493 1.006,494 1.08,495 1.01,496 1.235,497 1.003,498 2.071,499 0.819,500 1.377,501 0.832,502 2.147,503 0.868,504 2.475,505 0.326,506 1.459,507 0.345,508 3.071,509 0.57,510 4,512 2.667,513 1.181,514 1.524,515 0.917,516 0.335,517 0.255,518 0.099,520 2794,521 10584,522 2.05,523 38.7,524 3,525 6,528 2,530 1,531 1.609,532 1.869,533 2.796,534 0.445,536 1,537 1,538 1,540 52.455,541 1.692,542 3.858,543 4.543,544 4.761,545 4.825,546 4.825,547 2.268,548 3.932,549 4.218,550 2.906,551 496.859,552 7.218,553 4662.74,554 1,555 1,557 1,558 153.58,559 1.529,560 4.153,561 0.19,563 0.086,564 0.037,565 0.051,566 0.038,567 0.021,568 0.028,569 0.025,571 0.476,572 0.67,573 1,574 1.039,575 79.786,576 0.094,577 0.215,578 0.016,579 0.187,580 -0.023,581 0.091,582 0.214,583 -0.127,584 -0.028,585 -0.09,586 0.25,587 -0.127,588 0.047,589 -0.093,590 -0.038,591 -0.109,592 0.045,593 -0.105,594 -0.132,595 -0.029,596 -0.046,597 -0.023,598 -0.104,599 -0.004,600 -0.12,601 -0.116,602 -0.023,603 -0.149,604 -0.111,605 -0.075,606 -0.102,607 -0.122,608 0.016,609 -0.099,610 -0.12,611 -0.028,612 -0.501,613 -0.005,614 -0.173,615 0.016,616 -0.46,617 0.034,618 -0.381,619 0.391,620 -0.097,621 0.441,622 -0.696,623 0.272,624 2.553,625 4.283,626 0.684,627 11.684,628 1.03,629 1.126,630 2.183,631 4.767,632 0.666,633 3.091,634 3.466,635 3.784,636 4.094,637 4.369,638 4.533,639 4.644,640 4.718,641 4.71,642 4.443,643 4.265,644 0.662,645 260.27,646 3.091,647 4.654,648 5.533,649 6.444,650 7.351,651 8.267,652 9.181,653 10.1,654 11.018,655 11.938,656 6.5,659 1,664 1,667 3,672 3,674 6,683 1,684 1,688 31,689 10,690 1,691 21,693 33,694 13,695 6,696 3,697 3,700 3,701 6,705 2,706 2,708 2,710 9,711 4,712 2,714 4,715 1,717 3,718 2,719 1,721 1,722 1,725 12,726 5,727 2,728 6,732 2,734 0.333,735 4,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,765 19,768 1,769 1,770 1,773 3,782 12.9,784 1,785 1,788 2,789 10.167,790 5.317,791 4.083,792 1.806,794 1.834,795 1.269,796 0.931,797 2.789,798 8.645,799 3.367,800 3.942,801 4.422,802 4.948,803 5.487,804 5.846,805 6.176,806 6.394,807 6.673,808 6.563,809 0.8,810 32,811 7.059,813 3.237,814 8.325,815 12.93,817 11.258,819 2.825,820 53.667,823 117.711,824 59.525,825 23.681,827 118.575,830 59.525,831 236.286,832 23.681,833 5.67,834 2.535,835 47.381,836 86.749,837 8.699,839 117.711,840 50.747,841 117.711,842 83.206,843 118.575,846 105.94,847 79.599,848 50.747,849 2.535,850 38.038,851 42.633,853 117.711,854 142.256,855 59.525,858 117.711,859 12.143,860 53.051,861 18.011,862 118.575,863 117.711,864 142.256,865 59.525,867 0.597,868 0.354,869 0.193,870 0.111,871 17,872 8,873 0.061,874 2,875 2,876 1.308,877 2.998,878 149.188,879 0.308,880 13,881 78.711,884 12.178,885 4.351,886 1.904,888 136.586,889 4.517,894 1.518,896 60.694,897 319.492,898 28,899 -0.433,901 32.932,902 3.894,903 -0.886,905 31.931,906 34.91,907 0.342,908 0.779,909 0.917,910 0.961,911 0.974,912 0.974,913 4.64,914 0.822,915 5.557,916 2.809,917 4.143,918 4.625,919 3.116,920 6.438,921 4.11,922 5.856,923 0.595,924 7.165,925 2.059,926 3.892,927 4.559,928 2.946,929 7.483,930 3.836,931 7.18,932 -0.228,933 8.873,934 1.584,935 5.802,936 6.753,937 4.64,938 10.611,939 5.735,940 8.533,941 -0.687,942 10.639,943 -0.61,944 6.347,945 7.47,946 5.04,947 12.459,948 6.262,949 9.916,950 -0.972,951 12.44,952 -1.987,953 7.772,954 9.187,955 6.365,956 15.123,957 7.676,958 11.319,959 -1,960 14.264,961 -2,962 8.66,963 10.246,964 7.004,965 17.303,966 8.55,967 12.736,968 -1,969 16.105,970 -2,971 9.91,972 11.784,973 8.156,974 19.815,975 9.79,976 3.279,977 -1.267,978 17.959,979 -3.004,980 10.953,981 13.006,982 8.921,983 22.142,984 10.821,985 2.784,986 11.562,987 19.823,988 -3.43,989 12.143,990 14.47,991 9.983,992 24.605,993 12,994 2.468,995 9.048,996 21.695,997 4.113,998 13.256,999 15.774,1000 10.82,1001 26.996,1002 13.102,1003 2.286,1004 7.842,1005 23.574,1006 3.595,1007 14.43,1008 17.205,1009 11.833,1010 29.444,1011 14.265,1012 1.559,1013 7.092,1014 25.459,1015 3.081,1016 15.576,1017 18.553,1018 12.712,1019 31.864,1020 15.401,1021 1.273,1022 4.211,1023 27.349,1024 2.723,1025 16.748,1026 19.969,1027 13.697,1028 34.309,1029 16.562,1030 1.175,1031 2.983,1032 29.243,1033 2.053,1034 17.911,1035 21.343,1036 14.604,1037 36.743,1038 17.714,1039 2825,1040 5557,1041 13.641,1042 20.636,1043 32.921,1044 33.929,1045 33.894,1046 32.516,1047 32.48,1048 41.628,1049 12.25,1050 98.382,1051 31.943,1052 5.441,1053 5.82,1054 6.365,1055 5.309,1056 5.279,1057 7.113,1058 4.612,1059 19.147,1060 5.239,1061 10.339,1062 1.568,1063 1.616,1064 1.614,1065 1.548,1066 1.547,1067 1.982,1068 0.583,1069 4.685,1070 1.521,1071 4.087,1072 4.117,1073 4.038,1074 3.996,1075 7.815,1076 3.999,1077 3.816,1078 3.847,1079 3.763,1080 3.663,1081 7.474,1082 3.669,1083 3.492,1084 3.529,1085 3.42,1086 3.252,1087 6.999,1088 3.287,1089 3.409,1090 3.412,1091 3.375,1092 3.013,1093 6.351,1094 3.11,1095 2.898,1096 2.964,1097 2.765,1098 2.789,1099 4.743,1100 2.773,1101 2.869,1102 2.907,1103 2.747,1104 2.534,1105 4.391,1106 2.573,1107 2.676,1108 2.759,1109 2.501,1110 2.401,1111 3.962,1112 2.451,1113 2.429,1114 2.541,1115 2.184,1116 2.216,1117 3.62,1118 2.196,1119 0.214,1120 0.182,1121 0.328,1122 0.203,1123 0.156,1124 4.492,1125 0.196,1126 3.82,1127 0.124,1128 6.894,1129 0.551,1130 4.267,1131 0.154,1132 3.279,1133 4.113,1134 2.612,1135 11.562,1136 3.239,1137 1.982,1138 1.957,1139 2.069,1140 2.12,1141 1.382,1142 2.096,1143 1.638,1144 1.601,1145 1.813,1146 1.88,1147 1.054,1148 1.829,1149 1.515,1150 1.473,1151 1.686,1152 1.689,1153 0.828,1154 1.691,1155 1.153,1156 1.114,1157 1.352,1158 1.515,1159 0.516,1160 1.448,1161 1.12,1162 1.107,1163 1.198,1164 1.411,1165 0.161,1166 1.394,1167 0.748,1168 0.691,1169 1.028,1170 1.065,1171 0.101,1172 1.018,1173 0.609,1174 0.552,1175 0.847,1176 0.93,1178 0.969,1179 0.3,1180 0.239,1181 0.679,1182 0.635,1184 0.656,1185 3.761,1186 5.118,1187 2.398,1188 6.676,1189 4.595,1190 8.335,1191 6.629,1192 10.053,1199 9.255,1200 0.677,1201 2.972,1204 -0.779,1209 20.536,1210 52.455,1211 119.606,1212 140.825,1213 147.58,1214 149.58,1215 149.58,1216 40.699,1217 6.811,1218 95.15,1219 95.15,1220 17,1221 12.447,1222 3.459,1223 3,1224 27.598,1225 50,1226 44,1227 0.3,1228 125.3,1229 226.8,1230 297.492,1231 6683,1233 13.569,1234 0.714,1235 0.523,1236 13.569,1237 9.945,1238 9.075,1239 0.432,1240 0.287,1241 5.929,1242 8.626,1243 5.865,1244 4.791,1245 9.075,1246 6.02,1247 8.643,1248 0.279,1249 0.156,1250 8.643,1251 4.842,1252 7.187,1253 0.167,1254 0.089,1255 7.187,1256 3.823,1257 6.096,1258 0.103,1259 0.05,1260 6.096,1261 2.94,1262 5.068,1263 0.065,1264 0.026,1265 5.068,1266 2.023,1267 0.441,1268 57.914,1269 0.271,1270 18.292,1271 0.918,1272 104,1273 363.334,1274 116.659,1275 344.171,1276 447.49,1277 314,1278 126,1279 321.003,1280 137.75,1281 316.656,1282 460.63,1283 297,1284 4.315}
{0 CHEMBL1570659,1 1.562,2 8.042,3 1.181,4 1.394,5 90.451,6 7.464,7 0.222,8 3.907,9 4.012,10 3.473,11 3.423,12 4.986,13 3.418,14 4.5,15 4.653,16 3.869,17 3.878,18 5.607,19 3.844,20 4.82,21 5.022,22 3.975,23 4.067,24 5.841,25 3.998,26 4.875,27 5.081,28 3.993,29 4.062,30 6,31 4.003,32 4.829,33 5.026,34 3.919,35 3.972,36 6.055,37 3.92,38 4.702,39 4.915,40 3.733,41 3.836,42 5.828,43 3.766,44 4.645,45 4.867,46 3.6,47 3.683,48 5.924,49 3.595,50 4.498,51 4.755,52 3.208,53 3.511,54 5.387,55 3.376,56 0.072,57 0.633,58 9.149,59 4.211,60 11.883,61 5.272,62 0.364,63 1.083,64 18.413,65 7.217,66 47.475,67 9.477,68 0.505,69 1.396,70 27.334,71 9.984,72 56.334,73 13.655,74 0.523,75 1.424,76 29.515,77 10.305,78 76.453,79 13.859,80 0.591,81 1.297,82 28.607,83 9.732,84 89.705,85 12.78,86 0.388,87 1.169,88 25.012,89 8.523,90 58.168,91 11.584,92 0.706,93 1.04,94 24.668,95 7.833,96 105.956,97 10.861,98 0.384,99 0.863,100 21.881,101 7.293,102 57.201,103 10.124,104 11,105 39,106 0.273,107 0.666,108 0.839,109 0.866,110 0.866,111 0.866,112 3.23,113 0.925,114 -2.89,115 -2.9,116 -2.8,118 40.9,120 1,121 2,123 4,124 1,128 2,131 3,132 2,133 1,142 2,151 1,153 1,154 10,156 1,157 2,160 1,162 3,163 1,164 12,165 1,168 1,169 3,172 1,173 1,174 5,176 8,177 2,180 6,183 2,185 5,187 7,188 4,191 1,192 9,196 4,199 6,200 2,204 7,205 2,209 2,212 2,213 1,216 2,217 7,220 3,222 1,230 2,242 2,243 1,253 746,254 16.397,255 16.397,256 16.397,257 16.397,258 16.397,259 15.213,260 23.425,261 9.592,262 16.697,263 13.322,264 13.322,265 13.322,266 13.322,267 13.322,268 11.431,269 32.285,270 4.501,271 13.763,272 3.898,273 1.647,274 0.654,275 0.5,276 0.5,277 0.5,278 3.927,281 1,282 1,283 424,284 3.082,285 40.103,286 154.783,288 69.08,289 77.971,291 1.215,292 33.476,295 1,296 1,297 1,298 1,299 0.5,300 1,301 1,302 0.93,303 53,304 193,305 4.568,306 3.826,307 6.985,308 4.316,309 3.328,310 4.161,311 2.375,312 11.89,313 3.287,314 4.151,315 3.71,316 6.565,317 3.958,318 2.971,319 3.353,320 1.2,321 10.272,322 2.929,323 3.816,324 3.354,325 6.092,326 3.563,327 2.585,328 3.033,329 0.86,330 8.606,331 2.524,332 3.567,333 2.684,334 5.712,335 3.338,336 2.37,337 2.698,338 0.68,339 7.48,340 2.28,341 3.139,342 2.505,343 5.054,344 2.873,345 1.9,346 2.24,347 0.458,348 5.485,349 1.839,350 2.921,351 2.272,352 4.426,353 2.513,354 1.546,355 2.077,356 0.293,357 3.909,358 1.485,359 2.737,360 1.935,361 3.893,362 2.416,363 1.462,364 1.72,365 3.278,366 1.387,367 2.684,368 1.745,369 3.86,370 2.219,371 1.24,372 1.594,373 2.969,374 1.201,375 2.244,376 1.464,377 3.483,378 1.991,379 1.022,380 1.171,382 2.365,383 0.982,384 2.06,385 1.256,386 3.397,387 1.952,388 1,389 1,391 2.136,392 0.946,393 2,394 1.233,395 3.309,396 1.699,397 0.696,398 0.861,400 1.793,401 0.69,402 1.768,403 0.937,404 3.247,405 1.549,406 0.563,407 0.658,409 1.462,410 0.549,411 1.064,412 0.514,413 2.716,414 0.729,415 -0.261,416 -0.308,418 -0.72,419 -0.254,420 0.783,421 0.12,422 2.465,423 0.397,424 -0.604,425 -0.74,427 -1.517,428 -0.6,429 0.456,430 -0.187,431 2.368,432 0.227,433 -0.754,434 -0.85,436 -1.625,437 -0.736,438 11.133,439 0.464,440 0.593,441 0.025,442 26.5,443 1.104,444 10.5,445 0.438,446 16,447 0.667,448 21.516,449 0.896,450 26.667,451 0.606,452 20.403,453 0.85,454 5.207,455 0.217,456 6.458,457 0.269,458 0.09,460 0.395,462 0.776,463 1.301,464 0.772,465 1.1,466 0.628,467 0.958,468 0.777,469 1.135,470 0.924,471 1.016,472 0.476,473 0.996,474 0.769,475 1.056,476 0.939,477 1.008,478 0.711,479 1.009,480 0.987,481 1.009,482 0.973,483 1,484 1.198,485 0.982,486 1.185,487 1.045,488 1.041,489 1.03,490 1.448,491 1.009,492 1.048,493 1.143,494 1.051,495 1.124,496 1.112,497 1.087,498 0.89,499 0.989,500 1.058,501 1.053,502 0.913,503 1.084,504 1.001,505 0.889,506 1.041,507 1.001,508 0.947,509 1.027,510 3.5,511 0.029,512 3.111,513 1.743,514 1.675,515 1.077,516 0.558,517 0.382,518 0.137,519 0.069,520 5734,521 15769,522 2.135,523 45.5,524 3,525 14,528 2,530 1,531 1.677,532 2,533 3.015,534 0.296,535 1,536 1,538 1,540 68.718,541 1.562,542 3.812,543 4.806,544 4.959,545 4.959,546 4.959,547 2.452,548 4.252,549 4.558,550 3.137,551 865.847,552 7.906,553 9685.08,555 1,558 240.215,559 1.406,560 4.518,561 0.13,562 0.007,563 0.08,564 0.042,565 0.04,566 0.028,567 0.018,568 0.015,569 0.008,570 0.006,571 0.374,572 0.5,573 1,574 0.757,575 110.576,576 -0.072,577 -0.09,578 0.041,579 0.008,580 -0.041,581 0.041,582 0.03,583 0.011,584 -0.046,585 0.023,586 0.099,587 -0.02,588 0.023,589 -0.004,590 -0.016,591 -0.003,592 0.002,593 -0.02,594 -0.065,595 0.015,596 -0.018,597 -0.016,598 -0.103,599 -0.008,600 -0.089,601 -0.063,602 -0.06,603 -0.049,604 -0.115,605 -0.046,606 -0.114,607 -0.141,608 -0.088,609 -0.15,610 -0.077,611 -0.115,612 0.188,613 -0.027,614 -0.051,615 -0.111,616 0.217,617 -0.13,618 -0.086,619 -0.001,620 -0.037,621 -0.036,622 -0.073,623 -0.024,624 2.534,625 5.905,626 0.792,627 16.333,628 1.011,629 1.127,630 1.659,631 2.751,632 0.652,633 3.332,634 3.689,635 4.043,636 4.369,637 4.635,638 4.779,639 4.956,640 5.056,641 5.112,642 5.112,643 5.001,644 0.628,645 328.4,646 3.332,647 4.89,648 5.778,649 6.686,650 7.595,651 8.513,652 9.43,653 10.352,654 11.273,655 12.197,656 4.5,659 1,660 1,667 3,672 3,674 6,679 1,683 1,688 44,689 9,690 1,691 27,693 47,694 18,695 6,696 3,697 3,698 1,700 4,701 7,705 2,706 2,708 2,710 10,711 8,712 2,714 3,717 2,718 2,719 2,721 1,722 1,725 20,726 6,727 2,728 6,732 2,734 0.5,735 4,743 1,744 3,746 1,747 1,751 1,752 2,755 1,756 1,757 2,765 24,768 1,769 5,770 1,771 1,773 3,774 1,782 9.1,784 1,785 2,786 1,789 12,790 7.567,791 5.222,792 2.717,794 1.733,795 1.231,796 0.955,797 4.065,798 9.246,799 3.526,800 4.034,801 4.562,802 5.09,803 5.58,804 5.889,805 6.266,806 6.532,807 6.77,808 6.893,809 1,810 42,811 9.004,813 4.077,814 7.91,815 17.127,817 14.982,819 2.41,820 57.833,823 211.88,824 78.054,825 21.135,827 103.973,830 78.054,831 315.853,832 21.135,834 19.055,835 47.381,836 127.598,837 9.128,839 211.88,841 211.88,842 99.189,843 103.973,846 200.109,847 104.744,848 11,849 19.055,850 43.171,851 36.963,853 211.88,854 125.108,855 78.054,858 211.88,859 30.673,860 50.506,861 18.011,862 103.973,863 211.88,864 125.108,865 78.054,867 0.586,868 0.36,869 0.207,870 0.114,871 21,872 9,873 0.043,874 2,875 2,876 1.211,877 3.49,878 212.586,879 0.211,880 19,881 106.039,884 15.67,885 6.226,886 2.653,888 125.108,889 5.657,894 2.249,896 60.694,897 415.042,898 33,901 24.593,902 4.113,903 -0.93,905 44.465,906 49.571,907 0.286,908 0.698,909 0.88,910 0.908,911 0.908,912 0.908,913 4.808,914 1.24,915 5.778,916 3.278,917 4.369,918 4.718,919 2.754,920 6.661,921 4.318,922 5.982,923 1.022,924 7.38,925 2.969,926 4.007,927 4.494,928 2.283,929 7.711,930 3.959,931 7.286,932 1,933 9.089,934 2.365,935 6.019,936 6.756,937 3.817,938 10.882,939 5.933,940 8.624,941 0.696,942 10.862,943 2.136,944 6.524,945 7.402,946 4.187,947 12.765,948 6.448,949 10,950 0.563,951 12.676,952 1.793,953 7.997,954 9.151,955 5.32,956 15.456,957 7.89,958 11.402,959 -0.261,960 14.515,961 1.462,962 8.879,963 10.192,964 5.991,965 17.663,966 8.778,967 12.823,968 -0.604,969 16.373,970 -0.72,971 10.155,972 11.749,973 6.972,974 20.197,975 10.031,976 3.328,977 -0.754,978 18.243,979 -1.517,980 11.204,981 12.978,982 7.755,983 22.543,984 11.078,985 2.971,986 11.89,987 20.123,988 -1.625,989 12.41,990 14.459,991 8.672,992 25.024,993 12.267,994 2.585,995 10.272,996 22.011,997 4.161,998 13.533,999 15.781,1000 9.501,1001 27.431,1002 13.384,1003 2.37,1004 8.606,1005 23.905,1006 3.353,1007 14.717,1008 17.229,1009 10.39,1010 29.897,1011 14.555,1012 1.9,1013 7.48,1014 25.804,1015 3.033,1016 15.873,1017 18.599,1018 11.238,1019 32.333,1020 15.702,1021 1.546,1022 5.485,1023 27.708,1024 2.698,1025 17.055,1026 20.034,1027 12.114,1028 34.795,1029 16.871,1030 1.462,1031 3.909,1032 29.615,1033 2.24,1034 18.227,1035 21.429,1036 12.971,1037 37.247,1038 18.032,1039 5472,1040 9141,1041 18.205,1042 28.682,1043 41.979,1044 43.218,1045 42.712,1046 41.395,1047 41.368,1048 49.128,1049 11.731,1050 123.293,1051 40.199,1052 5.568,1053 5.826,1054 6.787,1055 5.42,1056 5.328,1057 7.161,1058 3.987,1059 19.648,1060 5.287,1061 10.238,1062 1.555,1063 1.601,1064 1.582,1065 1.533,1066 1.532,1067 1.82,1068 0.434,1069 4.566,1070 1.489,1071 4.08,1072 4.11,1073 4.026,1074 4.003,1075 7.474,1076 4.004,1077 3.815,1078 3.861,1079 3.73,1080 3.68,1081 7.427,1082 3.681,1083 3.683,1084 3.723,1085 3.579,1086 3.518,1087 6.351,1088 3.529,1089 3.468,1090 3.488,1091 3.4,1092 3.244,1093 4.752,1094 3.275,1095 3.19,1096 3.206,1097 3.122,1098 2.977,1099 4.609,1100 3.004,1101 3.111,1102 3.204,1103 2.873,1104 2.941,1105 4.399,1106 2.91,1107 2.975,1108 3.019,1109 2.866,1110 2.788,1111 4.008,1112 2.792,1113 2.807,1114 2.874,1115 2.65,1116 2.536,1117 3.766,1118 2.563,1119 0.169,1120 0.142,1121 0.259,1122 0.16,1123 0.123,1124 4.568,1125 0.154,1126 3.826,1127 0.088,1128 6.985,1129 0.44,1130 4.316,1131 0.122,1132 3.328,1133 4.161,1134 2.375,1135 11.89,1136 3.287,1137 1.984,1138 1.961,1139 2.072,1140 2.088,1141 1.387,1142 2.083,1143 1.704,1144 1.653,1145 1.91,1146 1.944,1147 1.197,1148 1.935,1149 1.614,1150 1.572,1151 1.808,1152 1.769,1153 1.051,1154 1.779,1155 1.494,1156 1.453,1157 1.676,1158 1.624,1159 0.831,1160 1.643,1161 1.168,1162 1.142,1163 1.513,1164 1.434,1165 0.825,1166 1.429,1167 1.153,1168 1.064,1169 1.352,1170 1.376,1171 0.52,1172 1.405,1173 1.021,1174 1.002,1175 1.198,1176 1.311,1177 0.295,1178 1.271,1179 0.775,1180 0.716,1181 1.014,1182 1.116,1183 0.134,1184 1.082,1185 4.007,1186 5.352,1187 2.398,1188 6.911,1189 4.595,1190 8.572,1191 6.629,1192 10.291,1199 9.587,1200 2.96,1201 3.138,1202 5.307,1204 -0.611,1205 1.771,1209 27.643,1210 68.718,1211 167.745,1212 211.46,1213 218.215,1214 218.215,1215 218.215,1216 48.693,1217 7.514,1218 78.87,1219 78.87,1220 23,1221 12.704,1222 3.322,1223 2.807,1224 33.568,1225 71,1226 76,1227 0.236,1228 165.868,1229 300.94,1230 396.478,1231 17351,1233 16.681,1234 0.695,1235 0.553,1236 16.681,1237 13.274,1238 11.665,1239 0.432,1240 0.308,1241 8.196,1242 11.158,1243 8.092,1244 6.567,1245 11.665,1246 8.325,1247 10.582,1248 0.271,1249 0.166,1250 10.582,1251 6.488,1252 9.369,1253 0.167,1254 0.093,1255 9.369,1256 5.191,1257 8.215,1258 0.105,1259 0.051,1260 8.215,1261 3.981,1262 6.751,1263 0.066,1264 0.027,1265 6.751,1266 2.743,1267 0.353,1268 73.703,1269 0.234,1270 22.665,1271 0.706,1272 132,1273 395.334,1274 145.989,1275 370.312,1276 495.05,1277 346,1278 161,1279 348.728,1280 175.022,1281 348.834,1282 520.29,1283 330,1284 4}
{0 CHEMBL1570803,1 1.475,2 9.913,3 3.263,4 10.647,5 88.404,6 7.168,7 0.24,8 3.875,9 3.981,10 3.395,11 3.407,12 4.966,13 3.384,14 4.447,15 4.602,16 3.771,17 3.834,18 5.593,19 3.777,20 4.764,21 4.979,22 3.859,23 3.985,24 5.782,25 3.902,26 4.811,27 5.024,28 3.849,29 3.945,30 5.907,31 3.883,32 4.703,33 4.902,34 3.729,35 3.815,36 5.905,37 3.757,38 4.526,39 4.73,40 3.513,41 3.62,42 5.748,43 3.544,44 4.366,45 4.571,46 3.254,47 3.4,48 5.513,49 3.325,50 4.169,51 4.398,52 2.989,53 3.261,54 5.154,55 3.147,56 0.049,57 0.591,58 9.464,59 4.448,60 11.228,61 5.593,62 0.313,63 0.992,64 18.125,65 7.616,66 53.045,67 10.083,68 0.355,69 1.277,70 26.568,71 9.927,72 55.73,73 13.691,74 0.447,75 1.267,76 28.778,77 9.631,78 72.627,79 12.949,80 0.407,81 1.092,82 25.859,83 8.858,84 71.217,85 11.502,86 0.404,87 0.905,88 21.714,89 7.524,90 66.05,91 9.889,92 0.35,93 0.743,94 18.848,95 6.144,96 62.8,97 7.937,98 0.255,99 0.645,100 15.271,101 5.183,102 36.873,103 7.047,104 25,105 35,106 0.259,107 0.656,108 0.864,109 0.907,110 0.907,111 0.907,112 3.189,113 0.97,114 -4.07,115 -4.01,116 -3.8,118 40.9,119 1,120 3,121 2,123 1,124 1,128 2,131 3,132 2,133 1,142 2,151 1,153 1,154 12,156 1,157 3,160 1,162 3,163 1,164 13,165 1,169 6,172 1,173 1,174 5,176 8,177 2,180 8,185 5,187 8,188 4,192 7,196 4,199 9,200 2,204 7,207 2,209 2,212 7,213 1,217 5,222 1,225 5,231 2,234 1,237 5,241 2,245 2,247 1,250 5,253 696,254 15.56,255 15.56,256 15.56,257 15.56,258 15.56,259 14.379,260 18.856,261 9.299,262 15.729,263 12.303,264 12.303,265 12.303,266 12.303,267 12.303,268 10.399,269 24.862,270 4.35,271 12.548,272 3.984,273 1.72,274 0.534,275 0.29,276 0.29,277 0.29,278 3.868,280 1,281 1,282 1,283 482,284 3.606,285 41.82,286 94.378,288 73.69,289 80.5,291 1.577,292 30.917,293 1,294 1,295 1,296 1,297 1,298 1,299 1,300 1,301 1,302 1,303 50.5,304 228,305 4.483,306 3.814,307 6.894,308 4.269,309 3.28,310 4.04,311 2.375,312 11.564,313 3.243,314 4.093,315 3.663,316 6.212,317 3.808,318 2.815,319 3.378,320 1.674,321 9.128,322 2.786,323 3.783,324 3.358,325 5.937,326 3.491,327 2.5,328 3.026,329 0.68,330 8.169,331 2.463,332 3.553,333 2.578,334 5.566,335 3.277,336 2.297,337 2.715,338 0.458,339 7.111,340 2.243,341 2.933,342 2.271,343 4.548,344 2.68,345 1.727,346 1.997,348 4.255,349 1.639,350 2.875,351 2.007,352 4.247,353 2.551,354 1.557,355 1.962,357 3.968,358 1.535,359 2.705,360 1.852,361 3.832,362 2.32,363 1.327,364 1.614,365 2.81,366 1.303,367 2.568,368 1.587,369 3.528,370 2.186,371 1.187,372 1.532,373 2.767,374 1.178,375 2.134,376 1.182,377 3.458,378 1.823,379 0.828,380 1.009,382 2.059,383 0.823,384 1.779,385 1.068,386 3.35,387 1.623,388 0.66,389 0.71,391 1.633,392 0.63,393 1.734,394 0.932,395 2.794,396 1.523,397 0.54,398 0.613,400 0.972,401 0.523,402 1.096,403 0.506,404 2.616,405 0.768,406 -0.21,407 -0.241,409 -0.485,410 -0.203,411 0.762,412 0.239,413 2.456,414 0.563,415 -0.427,416 -0.484,418 -0.787,419 -0.417,420 0.665,421 0.033,422 2.235,423 0.305,424 -0.687,425 -0.845,427 -1.987,428 -0.681,429 0.472,430 -0.419,431 1.903,432 0.047,433 -0.973,434 -1.205,436 -2,437 -0.937,438 10.733,439 0.467,440 0.559,441 0.024,442 24.75,443 1.076,444 10.5,445 0.457,446 14.25,447 0.62,448 20.695,449 0.9,450 25.867,451 0.588,452 18.251,453 0.794,454 4.615,455 0.201,456 6.498,457 0.283,458 0.14,460 0.373,462 0.756,463 1.181,464 0.824,465 1.099,466 0.647,467 0.99,468 0.55,469 1.187,470 0.872,471 1.114,472 0.407,473 1.066,474 0.713,475 1.074,476 0.872,477 1.03,478 0.654,479 0.99,480 1.23,481 0.957,482 1.003,483 0.92,484 1.155,485 0.908,486 1.386,487 1.01,488 1.069,489 1.021,490 1.393,491 0.989,492 1.215,493 1.028,494 1.072,495 1.081,496 1.387,497 1.061,498 1.596,499 1.031,500 1.215,501 1.041,502 1.667,503 1.057,504 1.19,505 0.99,506 1.157,507 1.008,508 1.027,509 1.065,510 4,511 0.074,512 2.889,513 1.306,514 1.604,515 1,516 0.395,517 0.314,518 0.196,519 0.106,520 5158,521 13953,522 2.041,523 47.7,524 8,525 8,528 2,530 3,531 1.658,532 1.89,533 3.232,534 0.278,535 1,536 1,538 1,540 64.918,541 1.475,542 3.74,543 4.925,544 5.17,545 5.17,546 5.17,547 2.773,548 4.176,549 4.484,550 3.377,551 854.328,552 7.735,553 9452.41,555 1,557 1,558 240.215,559 1.478,560 4.443,561 0.16,562 0.008,563 0.083,564 0.035,565 0.045,566 0.032,567 0.016,568 0.017,569 0.014,570 0.008,571 0.419,572 0.33,573 1,574 1.729,575 106.716,576 -0.062,577 0.02,578 0.024,579 0.042,580 -0.048,581 0.05,582 0.189,583 -0.072,584 0.016,585 -0.036,586 0.182,587 -0.045,588 0.054,589 -0.04,590 0.062,591 -0.023,592 0.033,593 0.01,594 -0.15,595 0.048,596 -0.011,597 0.042,598 -0.124,599 0.048,600 -0.17,601 -0.044,602 -0.063,603 -0.047,604 -0.125,605 -0.034,606 -0.037,607 -0.073,608 -0.07,609 -0.107,610 -0.088,611 -0.102,612 -0.24,613 -0.107,614 -0.18,615 -0.09,616 -0.247,617 -0.12,618 -0.173,619 -0.027,620 -0.171,621 -0.047,622 -0.123,623 -0.098,624 2.502,625 5.115,626 0.565,627 20.469,628 1.006,629 1.125,630 2.837,631 8.046,632 0.646,633 3.258,634 3.584,635 3.892,636 4.19,637 4.454,638 4.625,639 4.762,640 4.875,641 4.927,642 4.828,643 5.602,644 0.617,645 315.4,646 3.258,647 4.796,648 5.659,649 6.553,650 7.447,651 8.353,652 9.26,653 10.173,654 11.086,655 12.002,656 2.3,659 1,667 3,672 3,674 6,681 1,683 1,688 44,689 9,690 1,691 25,693 46,694 18,695 6,696 3,697 3,698 1,700 3,701 6,704 1,705 2,706 2,708 4,710 10,711 8,712 2,714 3,717 2,718 2,719 2,721 1,722 1,725 21,726 5,727 2,728 5,732 1,734 0.333,735 4,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,761 1,765 23,768 1,769 4,770 1,771 1,773 3,782 9.1,784 1,785 2,787 1,789 12.167,790 7.867,791 5.167,792 2.918,794 1.71,795 1.239,796 0.923,797 4.717,798 8.863,799 3.466,800 3.961,801 4.457,802 4.972,803 5.497,804 5.84,805 6.18,806 6.453,807 6.71,808 6.712,809 0.857,810 37,811 8.597,813 3.771,814 7.949,815 16.311,817 13.83,819 2.449,820 56.333,822 1,823 223.651,824 85.632,825 18.011,827 103.973,830 85.632,831 327.624,832 18.011,833 8.825,834 12.196,835 47.381,836 119.085,837 20.128,839 223.651,841 223.651,842 103.642,843 103.973,846 188.338,847 139.286,849 21.021,850 45.658,851 36.963,853 223.651,854 121.984,855 85.632,858 223.651,859 29.425,860 56.206,861 18.011,862 103.973,863 223.651,864 121.984,865 85.632,867 0.574,868 0.339,869 0.186,870 0.105,871 17,872 8,873 0.13,874 6,875 2,876 1.308,877 3.444,878 185.892,879 0.308,880 13,881 104.042,884 16.067,885 6.753,886 3.133,888 121.984,889 5.31,894 2.288,896 60.694,897 431.266,898 31,901 23.58,902 4.07,903 -1.155,905 44.247,906 49.488,907 0.27,908 0.685,909 0.902,910 0.947,911 0.947,912 0.947,913 4.723,914 1.187,915 5.652,916 2.81,917 4.263,918 4.644,919 2.831,920 6.506,921 4.227,922 5.898,923 0.828,924 7.238,925 2.767,926 3.892,927 4.425,928 2.243,929 7.509,930 3.857,931 7.195,932 0.66,933 8.93,934 2.059,935 5.883,936 6.682,937 4.036,938 10.652,939 5.821,940 8.527,941 0.54,942 10.684,943 1.633,944 6.365,945 7.294,946 4.173,947 12.489,948 6.305,949 9.894,950 -0.21,951 12.478,952 0.972,953 7.824,954 9.048,955 5.493,956 15.154,957 7.743,958 11.283,959 -0.427,960 14.298,961 -0.485,962 8.684,963 10.033,964 5.987,965 17.329,966 8.602,967 12.691,968 -0.687,969 16.137,970 -0.787,971 9.948,972 11.59,973 7.076,974 19.84,975 9.849,976 3.28,977 -0.973,978 17.989,979 -1.987,980 10.979,981 12.761,982 7.754,983 22.162,984 10.874,985 2.815,986 11.564,987 19.851,988 -2,989 12.173,990 14.231,991 8.728,992 24.622,993 12.055,994 2.5,995 9.128,996 21.722,997 4.04,998 13.281,999 15.499,1000 9.5,1001 27.011,1002 13.154,1003 2.297,1004 8.169,1005 23.6,1006 3.378,1007 14.455,1008 16.929,1009 10.419,1010 29.456,1011 14.316,1012 1.727,1013 7.111,1014 25.484,1015 3.026,1016 15.598,1017 18.251,1018 11.238,1019 31.875,1020 15.45,1021 1.557,1022 4.255,1023 27.373,1024 2.715,1025 16.769,1026 19.662,1027 12.129,1028 34.318,1029 16.609,1030 1.327,1031 3.968,1032 29.267,1033 1.997,1034 17.931,1035 21.014,1036 12.971,1037 36.751,1038 17.76,1039 5186,1040 8620,1041 16.414,1042 28.438,1043 37.998,1044 39.173,1045 39.142,1046 37.452,1047 37.434,1048 45.196,1049 10.374,1050 108.869,1051 36.729,1052 5.432,1053 5.814,1054 6.804,1055 5.315,1056 5.28,1057 7.04,1058 4.049,1059 19.149,1060 5.243,1061 12.147,1062 1.52,1063 1.567,1064 1.566,1065 1.498,1066 1.497,1067 1.808,1068 0.415,1069 4.355,1070 1.469,1071 4.072,1072 4.101,1073 4.016,1074 3.998,1075 7.474,1076 3.998,1077 3.765,1078 3.793,1079 3.691,1080 3.668,1081 7.433,1082 3.666,1083 3.66,1084 3.722,1085 3.497,1086 3.517,1087 6.351,1088 3.501,1089 3.473,1090 3.496,1091 3.402,1092 3.252,1093 4.758,1094 3.283,1095 3.303,1096 3.328,1097 3.216,1098 3.051,1099 4.451,1100 3.086,1101 3.048,1102 3.105,1103 2.858,1104 2.847,1105 4.37,1106 2.835,1107 2.897,1108 2.963,1109 2.748,1110 2.786,1111 4.038,1112 2.77,1113 2.829,1114 2.869,1115 2.686,1116 2.532,1117 3.941,1118 2.558,1119 0.179,1120 0.153,1121 0.276,1122 0.171,1123 0.131,1124 4.483,1125 0.162,1126 3.814,1127 0.095,1128 6.894,1129 0.463,1130 4.269,1131 0.13,1132 3.28,1133 4.04,1134 2.375,1135 11.564,1136 3.243,1137 1.978,1138 1.956,1139 2.067,1140 2.076,1141 1.383,1142 2.074,1143 1.685,1144 1.63,1145 1.958,1146 1.88,1147 1.239,1148 1.905,1149 1.625,1150 1.582,1151 1.81,1152 1.78,1153 1.058,1154 1.786,1155 1.506,1156 1.467,1157 1.682,1158 1.64,1159 0.834,1160 1.657,1161 1.208,1162 1.157,1163 1.546,1164 1.489,1165 0.708,1166 1.499,1167 1.144,1168 1.113,1169 1.349,1170 1.415,1171 0.516,1172 1.394,1173 0.985,1174 0.943,1175 1.15,1176 1.246,1177 0.214,1178 1.22,1179 0.741,1180 0.683,1181 1.043,1182 1.018,1183 0.159,1184 0.992,1185 3.932,1186 5.252,1187 2.398,1188 6.779,1189 4.595,1190 8.414,1191 6.629,1192 10.115,1194 2.045,1199 9.41,1200 2.995,1201 3.095,1202 5.259,1204 -0.563,1209 27.149,1210 64.918,1211 164.547,1212 216.705,1213 227.46,1214 227.46,1215 227.46,1216 51.055,1217 7.153,1218 75.63,1219 75.63,1220 17,1221 12.514,1222 3.322,1223 2.807,1224 36.847,1225 76,1226 100,1227 0.247,1228 166.467,1229 302.3,1230 397.94,1231 10777,1233 16.397,1234 0.713,1235 0.57,1236 16.397,1237 13.119,1238 11.113,1239 0.445,1240 0.323,1241 7.991,1242 10.714,1243 7.833,1244 6.484,1245 11.113,1246 8.086,1247 9.872,1248 0.282,1249 0.174,1250 9.872,1251 6.105,1252 8.312,1253 0.173,1254 0.096,1255 8.312,1256 4.596,1257 6.959,1258 0.107,1259 0.052,1260 6.959,1261 3.358,1262 5.684,1263 0.067,1264 0.027,1265 5.684,1266 2.288,1267 0.38,1268 69.729,1269 0.247,1270 22.361,1271 0.699,1272 120,1273 363.689,1274 132.349,1275 342.413,1276 454.63,1277 318,1278 143,1279 320.729,1280 154.246,1281 321.122,1282 474.7,1283 303,1284 4}
{0 CHEMBL1608153,1 1.444,2 11.655,3 4.419,4 19.53,5 110.758,6 8.03,7 0.515,8 3.995,9 4.081,10 3.628,11 3.622,12 5.161,13 3.61,14 4.52,15 4.629,16 4.036,17 4.058,18 5.75,19 4.023,20 4.855,21 5.027,22 4.115,23 4.212,24 5.952,25 4.149,26 4.91,27 5.1,28 4.064,29 4.152,30 6.046,31 4.094,32 4.815,33 5.003,34 3.948,35 3.997,36 6.05,37 3.951,38 4.619,39 4.802,40 3.765,41 3.799,42 5.882,43 3.754,44 4.447,45 4.62,46 3.616,47 3.648,48 5.685,49 3.616,50 4.278,51 4.444,52 3.5,53 3.592,54 5.458,55 3.545,56 0.055,57 0.597,58 8.257,59 4.461,60 12.34,61 5.089,62 0.259,63 1.017,64 15.001,65 7.724,66 48.248,67 9.272,68 0.339,69 1.435,70 25.102,71 11.063,72 53.792,73 13.698,74 0.4,75 1.501,76 28.707,77 11.487,78 69.85,79 13.803,80 0.406,81 1.309,82 26.949,83 10.643,84 76.406,85 12.431,86 0.448,87 1.063,88 22.324,89 8.7,90 68.154,91 10.089,92 0.348,93 0.883,94 18.667,95 7.239,96 61.913,97 8.014,98 0.276,99 0.764,100 15.035,101 6.117,102 45.811,103 6.932,104 11,105 48,106 0.241,107 0.606,108 0.773,109 0.888,110 0.905,111 0.919,112 3.408,113 0.874,114 -5.28,115 -5.17,116 -4.83,118 50,120 1,121 2,124 1,128 2,131 10,132 4,133 2,142 2,151 1,153 1,154 19,156 1,157 4,160 1,162 3,163 1,164 24,165 1,169 7,172 1,173 1,174 5,176 18,177 2,180 10,185 5,187 13,188 4,192 10,196 4,199 13,200 2,204 9,207 2,209 2,212 12,213 1,217 7,222 1,225 12,230 1,231 2,234 2,237 15,241 2,245 2,247 2,250 16,253 1269,254 19.809,255 19.809,256 19.809,257 19.809,258 19.809,259 17.361,260 19.934,261 11.475,262 19.962,263 16.309,264 16.309,265 16.309,266 16.309,267 16.309,268 12.56,269 27.188,270 5.443,271 16.558,272 4.141,273 1.955,274 0.958,275 0.266,276 0.167,277 0.083,278 4.12,281 1,282 1,283 759,284 3.391,285 54.792,286 264.628,288 95.994,289 224.273,291 1.76,292 33.326,295 1,296 1,297 1,298 0.6,299 0.5,300 1,301 1,302 0.87,303 62.5,304 338,305 4.486,306 3.814,307 6.894,308 4.269,309 3.28,310 4.337,311 2.375,312 11.564,313 3.243,314 4.408,315 3.687,316 6.224,317 3.931,318 2.945,319 4.041,320 1.674,321 9.283,322 2.908,323 4.103,324 3.36,325 6.18,326 3.802,327 2.806,328 3.404,329 0.68,330 9.113,331 2.784,332 3.812,333 2.95,334 5.958,335 3.507,336 2.522,337 3.095,338 0.458,339 8.274,340 2.473,341 3.596,342 2.584,343 5.569,344 3.291,345 2.314,346 2.937,348 7.127,349 2.252,350 3.521,351 2.448,352 5.237,353 3.129,354 2.16,355 2.711,357 6.571,358 2.079,359 3.118,360 2.269,361 4.546,362 2.618,363 1.618,364 2.427,365 4.378,366 1.618,367 2.916,368 1.874,369 4.419,370 2.552,371 1.559,372 2.102,373 4.217,374 1.536,375 2.883,376 1.618,377 4.096,378 2.424,379 1.431,380 1.969,382 3.449,383 1.416,384 2.783,385 1.587,386 3.825,387 2.271,388 1.269,389 1.805,391 2.963,392 1.256,393 2.689,394 1.432,395 3.612,396 2.178,397 1.178,398 1.594,400 2.81,401 1.17,402 2.185,403 1.068,404 3.476,405 1.821,406 0.824,407 1.034,409 2.059,410 0.821,411 2.131,412 0.935,413 3.357,414 1.69,415 0.694,416 0.997,418 1.653,419 0.69,420 1.772,421 0.859,422 3.172,423 1.574,424 0.597,425 0.677,427 1.556,428 0.579,429 1.296,430 0.582,431 2.852,432 0.884,433 -0.069,434 -0.087,436 -0.182,437 -0.065,438 13.733,439 0.474,440 0.747,441 0.026,442 39.25,443 1.353,444 21,445 0.724,446 18.25,447 0.629,448 22.402,449 0.772,450 29.467,451 0.614,452 30.259,453 1.043,454 7.702,455 0.266,456 6.396,457 0.221,458 0.073,460 0.4,462 0.737,463 0.939,464 0.714,465 0.869,466 0.646,467 0.799,468 0.474,469 1.114,470 0.822,471 1.056,472 0.404,473 1.013,474 0.777,475 1.076,476 0.962,477 1.054,478 0.687,479 1.045,480 1.164,481 1.019,482 1.046,483 1.006,484 1.068,485 0.997,486 1.387,487 0.997,488 1.047,489 1.016,490 1.419,491 0.976,492 1.405,493 0.914,494 1.057,495 0.959,496 1.435,497 0.953,498 1.672,499 0.902,500 1.107,501 0.904,502 1.667,503 0.904,504 1.42,505 0.866,506 1.085,507 0.835,508 1.391,509 0.888,510 5.5,511 0.169,512 3.556,513 1.618,514 2.199,515 1.091,516 0.556,517 0.479,518 0.244,519 0.153,520 11652,521 31322,522 2.171,523 39.6,524 3,525 13,528 2,530 1,531 1.717,532 2.047,533 3.498,534 0.16,536 1,540 69.328,541 1.444,542 3.63,543 4.627,544 5.319,545 5.418,546 5.502,547 2.945,548 4.651,549 4.831,550 3.658,551 1485.03,552 8.399,553 19822.8,555 1,557 1,558 268.078,559 1.361,560 4.797,561 0.167,562 0.008,563 0.074,564 0.032,565 0.048,566 0.027,567 0.017,568 0.017,569 0.009,570 0.006,571 0.404,572 0.17,573 0.88,574 0.674,575 147.138,576 -0.064,577 0.073,578 0.026,579 0.08,580 -0.069,581 0.074,582 0.21,583 -0.111,584 -0.033,585 -0.101,586 0.175,587 -0.112,588 0.026,589 -0.073,590 -0.043,591 -0.086,592 0.011,593 -0.082,594 -0.122,595 -0.014,596 -0.05,597 -0.04,598 -0.096,599 -0.029,600 -0.138,601 -0.038,602 -0.007,603 -0.035,604 -0.109,605 -0.002,606 -0.065,607 0.042,608 -0.007,609 0.021,610 -0.103,611 0.014,612 -0.238,613 0.047,614 -0.059,615 0.075,616 -0.227,617 0.047,618 -0.234,619 0.104,620 -0.102,621 0.142,622 -0.197,623 0.061,624 2.519,625 5.746,626 0.793,627 26.699,628 1.008,629 1.106,630 4.053,631 16.425,632 0.702,633 3.526,634 3.892,635 4.22,636 4.533,637 4.812,638 4.934,639 5.088,640 5.236,641 5.333,642 5.313,643 6.781,644 0.68,645 385.44,646 3.526,647 5.094,648 5.974,649 6.876,650 7.774,651 8.68,652 9.583,653 10.491,654 11.398,655 12.308,656 2.1,659 1,666 2,667 10,672 4,674 17,681 1,683 1,688 48,689 20,690 3,691 33,693 52,694 24,695 16,696 6,697 10,698 1,700 5,701 9,705 2,706 2,708 2,710 20,711 4,712 2,714 3,717 2,718 2,719 2,722 1,725 19,726 5,727 2,728 5,732 1,734 0.4,735 4,743 1,744 4,746 1,747 2,751 1,752 2,755 1,757 2,765 29,768 1,769 1,770 1,771 1,773 3,782 8.3,784 1,785 2,787 1,789 14.167,790 8.45,791 6.194,792 2.883,794 3.763,795 1.454,796 1.001,797 4.368,798 12.044,799 3.818,800 4.431,801 5.021,802 5.614,803 6.199,804 6.502,805 6.892,806 7.269,807 7.622,808 7.669,809 0.875,810 50,811 10.799,813 4.887,814 7.874,815 20.428,817 17.783,819 2.374,820 68.833,822 1,823 200.109,824 143.868,825 18.011,827 103.973,830 143.868,831 304.082,832 18.011,834 2.535,835 113.715,836 119.085,837 30.517,839 200.109,841 200.109,842 161.879,843 103.973,846 188.338,847 115.744,849 2.535,850 122.381,851 36.963,853 200.109,854 121.984,855 143.868,858 200.109,859 30.153,860 113.715,861 18.011,862 103.973,863 200.109,864 121.984,865 143.868,867 0.591,868 0.354,869 0.199,870 0.112,871 26,872 11,873 0.077,874 4,875 3,876 1.261,877 4.076,878 270.61,879 0.261,880 23,881 140.881,884 17.958,885 7.053,886 3.197,887 2.088,888 121.984,889 18.711,894 2.641,896 60.694,897 465.961,898 44.5,901 24.36,902 4.056,903 -1.281,905 48.363,906 53.073,907 0.259,908 0.65,909 0.829,910 0.952,911 0.97,912 0.985,913 5.077,914 1.559,915 5.974,916 4.378,917 4.575,918 5.118,919 2.831,920 6.828,921 4.545,922 6.29,923 1.431,924 7.557,925 4.217,926 4.205,927 4.924,928 2.243,929 7.791,930 4.161,931 7.605,932 1.269,933 9.241,934 3.449,935 6.209,936 7.308,937 4.036,938 10.921,939 6.15,940 8.951,941 1.178,942 10.983,943 2.963,944 6.661,945 7.929,946 4.173,947 12.709,948 6.592,949 10.328,950 0.824,951 12.761,952 2.81,953 8.134,954 9.796,955 5.493,956 15.358,957 8.053,958 11.726,959 0.694,960 14.566,961 2.059,962 8.96,963 10.815,964 5.987,965 17.494,966 8.87,967 13.141,968 0.597,969 16.388,970 1.653,971 10.228,972 12.459,973 7.076,974 19.985,975 10.127,976 3.28,977 -0.069,978 18.224,979 1.556,980 11.229,981 13.684,982 7.754,983 22.279,984 11.119,985 2.945,986 11.564,987 20.072,988 -0.182,989 12.418,990 15.224,991 8.728,992 24.722,993 12.298,994 2.806,995 9.283,996 21.928,997 4.337,998 13.502,999 16.556,1000 9.5,1001 27.091,1002 13.372,1003 2.522,1004 9.113,1005 23.791,1006 4.041,1007 14.666,1008 18.047,1009 10.419,1010 29.524,1011 14.525,1012 2.314,1013 8.274,1014 25.662,1015 3.404,1016 15.79,1017 19.436,1018 11.238,1019 31.929,1020 15.639,1021 2.16,1022 7.127,1023 27.538,1024 3.095,1025 16.949,1026 20.905,1027 12.129,1028 34.362,1029 16.787,1030 1.618,1031 6.571,1032 29.419,1033 2.937,1034 18.094,1035 22.324,1036 12.971,1037 36.787,1038 17.921,1039 10693,1040 17649,1041 22.482,1042 33.676,1043 51.05,1044 52.553,1045 51.676,1046 50.453,1047 50.393,1048 66.259,1049 10.374,1050 150.031,1051 49.648,1052 5.434,1053 5.814,1054 6.581,1055 5.335,1056 5.28,1057 7.337,1058 4.049,1059 19.15,1060 5.243,1061 12.11,1062 1.547,1063 1.593,1064 1.566,1065 1.529,1066 1.527,1067 2.008,1068 0.314,1069 4.546,1070 1.504,1071 4.103,1072 4.125,1073 4.054,1074 4.046,1075 7.474,1076 4.045,1077 4.042,1078 4.067,1079 3.988,1080 3.983,1081 7.433,1082 3.981,1083 3.75,1084 3.774,1085 3.682,1086 3.665,1087 6.351,1088 3.663,1089 3.498,1090 3.526,1091 3.422,1092 3.387,1093 4.935,1094 3.388,1095 3.463,1096 3.483,1097 3.396,1098 3.249,1099 4.747,1100 3.28,1101 3.21,1102 3.207,1103 3.163,1104 3.006,1105 4.49,1106 3.04,1107 3.035,1108 3.083,1109 2.923,1110 2.936,1111 4.385,1112 2.931,1113 2.898,1114 2.963,1115 2.749,1116 2.789,1117 4.027,1118 2.772,1119 0.136,1120 0.116,1121 0.209,1122 0.129,1123 0.099,1124 4.486,1125 0.131,1126 3.814,1127 0.072,1128 6.894,1129 0.35,1130 4.269,1131 0.098,1132 3.28,1133 4.337,1134 2.375,1135 11.564,1136 3.243,1137 2.065,1138 2.048,1139 2.149,1140 2.126,1141 1.383,1142 2.133,1143 1.976,1144 1.954,1145 2.065,1146 2.07,1147 1.273,1148 2.07,1149 1.632,1150 1.6,1151 1.811,1152 1.791,1153 1.058,1154 1.79,1155 1.517,1156 1.482,1157 1.685,1158 1.654,1159 0.834,1160 1.665,1161 1.461,1162 1.426,1163 1.629,1164 1.583,1165 0.68,1166 1.598,1167 1.146,1168 1.113,1169 1.35,1170 1.42,1171 0.516,1172 1.394,1173 1.086,1174 1.067,1175 1.288,1176 1.313,1177 0.358,1178 1.275,1179 1.017,1180 0.992,1181 1.143,1182 1.187,1183 0.182,1184 1.205,1185 4.205,1186 5.557,1187 2.398,1188 7.111,1189 4.595,1190 8.761,1191 6.629,1192 10.463,1199 9.529,1200 0.708,1201 3.112,1202 5.599,1204 -0.689,1209 32.622,1210 69.328,1211 174.23,1212 222.104,1213 255.323,1214 260.078,1215 264.078,1216 53.009,1217 8.281,1218 75.63,1219 75.63,1220 29,1221 12.824,1222 4.392,1223 3.644,1224 39.761,1225 119,1226 114,1227 0.164,1228 194.598,1229 346.38,1230 466.578,1231 50096,1233 19.957,1234 0.688,1235 0.536,1236 19.957,1237 15.539,1238 14.097,1239 0.427,1240 0.291,1241 9.521,1242 13.709,1243 9.359,1244 7.68,1245 14.097,1246 9.609,1247 13.096,1248 0.273,1249 0.157,1250 13.096,1251 7.514,1252 11.403,1253 0.17,1254 0.087,1255 11.403,1256 5.796,1257 9.91,1258 0.108,1259 0.047,1260 9.91,1261 4.363,1262 8.375,1263 0.069,1264 0.025,1265 8.375,1266 3.045,1267 0.258,1268 87.541,1269 0.211,1270 27.491,1271 0.446,1272 162,1273 461.689,1274 175.014,1275 446.249,1276 609.14,1277 416,1278 196,1279 448.548,1280 207.911,1281 453.51,1282 669.49,1283 429,1284 4.021}
{0 CHEMBL1608225,1 1.749,2 5.944,3 3.408,4 11.612,5 72.612,6 9.798,7 0.3,8 3.506,9 3.589,10 3.291,11 3.156,12 4.663,13 3.131,14 4.056,15 4.166,16 3.76,17 3.63,18 5.295,19 3.574,20 4.423,21 4.594,22 3.876,23 3.808,24 5.508,25 3.711,26 4.459,27 4.642,28 4.068,29 3.771,30 5.653,31 3.688,32 4.344,33 4.52,34 3.686,35 3.563,36 5.64,37 3.462,38 4.005,39 4.203,40 3.214,41 3.133,42 5.236,43 2.971,44 3.395,45 3.581,46 3.272,47 2.426,48 5.173,49 2.359,50 2.342,51 2.492,52 0.936,53 1.407,54 3.599,55 1.124,56 0.096,57 0.373,58 3.428,59 2.474,60 13.135,61 2.764,62 0.219,63 0.645,64 6.824,65 4.587,66 39.251,67 5.508,68 0.433,69 0.882,70 18.854,71 7.325,72 56.217,73 8.793,74 0.526,75 0.88,76 24.276,77 7.599,78 65.46,79 8.743,80 0.497,81 0.712,82 22.742,83 7.188,84 62.365,85 7.723,86 0.428,87 0.455,88 21.48,89 5.632,90 58.086,91 6.086,92 0.439,93 0.204,94 14.677,95 3.131,96 55.612,97 3.295,98 0.152,99 0.046,100 8.705,101 1.177,102 18.96,103 0.999,104 18,105 30,106 0.338,107 0.756,108 0.886,109 0.926,110 0.926,111 0.926,112 2.964,113 0.972,114 -4.47,115 -4.4,116 -4.14,118 44.8,120 1,121 2,124 1,128 2,131 2,132 1,133 3,142 1,151 1,153 1,154 6,160 1,162 3,163 1,164 14,165 1,169 1,172 1,173 1,174 3,176 5,177 2,180 2,185 7,187 9,188 4,192 4,196 4,199 7,212 2,213 3,217 3,222 3,225 2,253 248,254 11.861,255 11.861,256 11.861,257 11.861,258 11.861,259 10.667,260 16.37,261 6.743,262 12.162,263 9.867,264 9.867,265 9.867,266 9.867,267 9.867,268 8.057,269 23.5,270 3.169,271 10.449,272 3.109,273 0.952,274 0.276,275 0.069,276 0.069,277 0.069,278 3.633,279 2,281 1,282 1,283 229,284 2.55,285 26.06,286 63.014,288 46.953,289 53.854,291 0.852,292 24.386,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 39.167,304 107,305 4.548,306 3.822,307 6.995,308 4.299,309 3.321,310 4.151,311 2.375,312 11.921,313 3.245,314 4.013,315 3.503,316 6.326,317 3.736,318 2.777,319 3.226,320 0.68,321 9.411,322 2.647,323 3.648,324 2.966,325 5.625,326 3.353,327 2.386,328 2.883,329 0.458,330 7.318,331 2.295,332 3.334,333 2.654,334 5.034,335 2.915,336 2.014,337 2.545,339 5.841,340 1.731,341 3.264,342 2.366,343 4.955,344 2.808,345 1.906,346 2.481,348 5.388,349 1.661,350 2.711,351 2.106,352 4.285,353 2.291,354 1.323,355 1.623,357 3.501,358 1.239,359 2.351,360 1.53,361 3.508,362 2.046,363 1.073,364 1.266,365 2.432,366 1.009,367 1.778,368 0.953,369 3.434,370 1.563,371 0.588,372 0.665,373 1.591,374 0.568,375 1.176,376 0.578,377 2.971,378 0.816,379 -0.06,380 -0.07,382 -0.167,383 -0.044,384 0.99,385 0.407,386 2.704,387 0.585,388 -0.351,389 -0.438,391 -0.993,392 -0.269,393 0.539,394 0.266,395 2.433,396 0.112,397 -0.652,398 -0.714,400 -1.612,401 -0.421,402 0.379,403 -0.117,404 2.069,405 -0.01,406 -1,407 -1.174,409 -2,410 -0.878,411 0.221,412 -0.618,413 1.768,414 -0.129,415 -1,416 -1.325,418 -2.661,419 -0.966,420 -0.168,421 -0.976,422 1.501,423 -0.525,424 -1.412,425 -1.601,427 -3.98,428 -1.183,429 -0.231,430 -1.173,431 1.454,432 -0.582,433 -1.518,434 -1.814,436 -4.254,437 -1.376,438 8.995,439 0.5,440 0.597,441 0.033,442 20.5,443 1.139,444 9,445 0.5,446 11.5,447 0.639,448 15.726,449 0.874,450 19.205,451 0.662,452 12.961,453 0.72,454 3.828,455 0.213,456 4.747,457 0.264,458 0.233,460 0.445,462 0.713,463 0.992,464 0.509,465 0.685,466 0.676,467 0.711,468 0.46,469 1.215,470 0.569,471 0.88,472 0.37,473 0.936,474 0.737,475 1.078,476 0.847,477 0.95,478 0.747,479 1.026,480 0.855,481 1.013,482 0.689,483 0.858,484 0.906,485 0.887,486 1.385,487 0.994,488 1.155,489 1.082,490 1.412,491 1.097,492 1.569,493 0.918,494 1.524,495 1.18,496 1.623,497 1.186,498 0.806,499 0.698,500 1.331,501 1.258,502 0.836,503 0.809,504 3.599,505 0.324,506 4.896,507 2.401,508 3.055,509 2.14,510 4,512 2.222,513 1.743,514 1.585,515 0.817,516 0.392,517 0.096,520 2315,521 9025,522 2.053,523 37.9,524 3,525 5,528 2,530 1,531 1.597,532 1.862,533 2.606,534 0.429,536 1,537 1,538 1,540 50.722,541 1.749,542 3.906,543 4.582,544 4.789,545 4.789,546 4.789,547 1.878,548 3.419,549 4.145,550 2.676,551 409.414,552 7.084,553 3747.3,554 1,555 1,556 1,557 1,558 140.881,559 1.53,560 4.071,561 0.2,563 0.074,564 0.056,565 0.051,566 0.037,567 0.036,568 0.012,571 0.466,572 0.83,573 1,574 0.946,575 73.018,576 -0.1,577 0.117,578 -0.015,579 0.115,580 -0.071,581 0.088,582 0.123,583 -0.141,584 0.004,585 -0.048,586 0.197,587 -0.085,588 0.004,589 -0.056,590 -0.055,591 -0.036,592 -0.039,593 -0.078,594 0.037,595 -0.004,596 0.187,597 0.082,598 -0.037,599 0.079,600 -0.247,601 -0.076,602 -0.149,603 -0.092,604 -0.187,605 -0.117,606 -0.307,607 -0.091,608 -0.235,609 -0.094,610 -0.315,611 -0.122,612 0.852,613 0.054,614 0.471,615 -0.049,616 0.802,617 0.324,618 -1.334,619 0.287,620 -1.959,621 -0.964,622 -1.087,623 -1.012,624 2.504,625 4.32,626 0.722,627 9.333,628 1.024,629 1.114,630 3.24,631 10.5,632 0.731,633 3.045,634 3.434,635 3.761,636 4.127,637 4.357,638 4.522,639 4.605,640 4.575,641 4.564,642 4.29,643 3.837,644 0.699,645 284.15,646 3.045,647 4.615,648 5.501,649 6.428,650 7.338,651 8.27,652 9.187,653 10.119,654 11.039,655 11.971,656 3.4,659 1,667 2,672 4,674 6,683 1,687 2,688 29,689 8,690 1,691 20,693 31,694 13,695 6,696 4,697 2,700 3,701 6,702 2,705 2,706 2,708 2,710 9,711 4,712 2,714 2,717 1,718 2,719 1,722 1,725 11,726 3,727 2,728 5,729 2,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,762 2,765 18,768 1,769 1,770 1,773 3,781 2,782 6.9,784 1,785 1,789 9.667,790 4.986,791 3.833,792 1.712,794 1.676,795 1.25,796 0.953,797 2.944,798 8.386,799 3.258,800 3.839,801 4.347,802 4.921,803 5.401,804 5.703,805 5.944,806 6.158,807 6.422,808 6.313,809 0.75,810 31,811 6.677,813 3.036,814 8.031,815 12.521,817 11.04,819 2.531,820 45.556,821 0.001,823 105.94,824 54.293,825 18.011,826 78.297,827 67.828,830 54.293,831 252.065,832 18.011,834 2.535,835 37.905,836 86.749,837 12.944,839 105.94,840 78.297,841 105.94,842 72.304,843 67.828,844 78.297,846 94.169,847 79.599,849 2.535,850 32.806,851 115.261,853 105.94,854 85.839,855 132.59,858 105.94,859 16.388,860 37.905,861 18.011,862 146.126,863 105.94,864 85.839,865 132.59,867 0.599,868 0.358,869 0.213,870 0.117,871 17,872 8,873 0.032,874 1,875 2,876 1.308,877 2.874,878 141.012,879 0.308,880 13,881 75.059,884 12.178,885 4.351,886 1.912,888 85.839,889 3.44,894 2.788,896 60.694,897 324.369,898 25,901 11.32,902 4.063,903 -0.838,905 29.705,906 32.296,907 0.36,908 0.804,909 0.943,910 0.986,911 0.986,912 0.986,913 4.549,914 0.588,915 5.533,916 2.432,917 4.111,918 4.522,919 2.429,920 6.435,921 4.006,922 5.766,923 -0.06,924 7.149,925 1.591,926 3.892,927 4.443,928 2.243,929 7.503,930 3.698,931 7.091,932 -0.351,933 8.865,934 -0.167,935 5.784,936 6.635,937 3.71,938 10.665,939 5.624,940 8.445,941 -0.652,942 10.639,943 -0.993,944 6.347,945 7.321,946 4.173,947 12.555,948 6.136,949 9.829,950 -1,951 12.449,952 -1.612,953 7.771,954 9.059,955 5.293,956 15.255,957 7.573,958 11.234,959 -1,960 14.286,961 -2,962 8.684,963 10.107,964 5.987,965 17.485,966 8.453,967 12.656,968 -1.412,969 16.142,970 -2.661,971 9.943,972 11.67,973 6.966,974 20.031,975 9.709,976 3.321,977 -1.518,978 18.013,979 -3.98,980 11.011,981 12.9,982 7.754,983 22.403,984 10.752,985 2.777,986 11.921,987 19.895,988 -4.254,989 12.216,990 14.388,991 8.671,992 24.897,993 11.945,994 2.386,995 9.411,996 21.787,997 4.151,998 13.352,999 15.711,1000 9.5,1001 27.327,1002 13.059,1003 2.014,1004 7.318,1005 23.687,1006 3.226,1007 14.541,1008 17.165,1009 10.389,1010 29.806,1011 14.233,1012 1.906,1013 5.841,1014 25.592,1015 2.883,1016 15.708,1017 18.536,1018 11.238,1019 32.261,1020 15.378,1021 1.323,1022 5.388,1023 27.504,1024 2.545,1025 16.896,1026 19.974,1027 12.114,1028 34.736,1029 16.548,1030 1.073,1031 3.501,1032 29.419,1033 2.481,1034 18.077,1035 21.37,1036 12.971,1037 37.202,1038 17.708,1039 2345,1040 4679,1041 12.948,1042 21.199,1043 31.292,1044 32.043,1045 32.323,1046 31.143,1047 30.777,1048 37.678,1049 7.025,1050 94.803,1051 28.788,1052 5.496,1053 5.822,1054 6.465,1055 5.341,1056 5.321,1057 7.151,1058 3.987,1059 19.533,1060 5.245,1061 9.667,1062 1.565,1063 1.602,1064 1.616,1065 1.557,1066 1.539,1067 1.884,1068 0.351,1069 4.74,1070 1.439,1071 4.065,1072 4.092,1073 4.14,1074 4,1075 7.474,1076 3.996,1077 3.718,1078 3.743,1079 3.788,1080 3.659,1081 6.351,1082 3.646,1083 3.468,1084 3.488,1085 3.576,1086 3.246,1087 5.016,1088 3.277,1089 2.989,1090 3.021,1091 3.393,1092 2.877,1093 4.634,1094 2.851,1095 2.929,1096 2.957,1097 3.116,1098 2.787,1099 4.489,1100 2.793,1101 2.752,1102 2.816,1103 2.648,1104 2.529,1105 4.168,1106 2.54,1107 2.458,1108 2.546,1109 2.467,1110 2.285,1111 3.649,1112 2.253,1113 2.374,1114 2.462,1115 2.39,1116 2.048,1117 3.287,1118 2.067,1119 0.227,1120 0.191,1121 0.35,1122 0.215,1123 0.166,1124 4.548,1125 0.208,1126 3.822,1127 0.119,1128 6.995,1129 0.596,1130 4.299,1131 0.162,1132 3.321,1133 4.151,1134 2.375,1135 11.921,1136 3.245,1137 1.961,1138 1.942,1139 2.025,1140 2.05,1141 1.381,1142 2.051,1143 1.616,1144 1.581,1145 1.795,1146 1.756,1147 1.042,1148 1.769,1149 1.487,1150 1.451,1151 1.633,1152 1.606,1153 0.808,1154 1.625,1155 1.141,1156 1.114,1157 1.336,1158 1.412,1159 0.512,1160 1.39,1161 0.864,1162 0.834,1163 1.043,1164 1.14,1165 0.119,1166 1.113,1167 0.69,1168 0.666,1169 0.85,1170 0.834,1171 0.007,1172 0.87,1173 0.397,1174 0.325,1175 0.752,1176 0.733,1178 0.756,1179 0.118,1181 0.644,1182 0.498,1184 0.562,1185 3.714,1186 5.081,1187 2.398,1188 6.65,1189 4.595,1190 8.328,1191 6.629,1192 10.067,1195 12.198,1199 9.293,1200 0.757,1201 3.041,1204 -0.507,1209 20.267,1210 50.722,1211 113.272,1212 132.881,1213 138.881,1214 138.881,1215 138.881,1216 33.554,1217 6.711,1218 49.33,1219 49.33,1220 17,1221 12.474,1222 3.17,1223 2.585,1224 25.423,1225 45,1226 34,1227 0.326,1228 130.106,1229 231.28,1230 309.219,1231 5828,1232 6.9,1233 12.861,1234 0.715,1235 0.604,1236 13.861,1237 10.872,1238 8.575,1239 0.429,1240 0.324,1241 5.739,1242 7.774,1243 5.583,1244 4.524,1245 9.153,1246 6.482,1247 8.293,1248 0.276,1249 0.184,1250 9.073,1251 5.506,1252 6.781,1253 0.161,1254 0.099,1255 7.327,1256 4.177,1257 6.369,1258 0.104,1259 0.057,1260 7.226,1261 3.507,1262 4.877,1263 0.063,1264 0.03,1265 5.328,1266 2.274,1267 0.469,1268 59.366,1269 0.278,1270 17.17,1271 1.034,1272 100,1273 300.625,1274 137.521,1275 350.169,1276 448.26,1277 322,1278 122,1279 274.364,1280 149.4,1281 296.736,1282 439.17,1283 280,1284 4.276}
{0 CHEMBL1609,1 1.471,2 4.818,3 0.924,4 0.853,5 38.779,6 8.008,7 0.545,8 3.051,9 3.127,10 2.619,11 2.564,12 4.396,13 2.573,14 3.45,15 3.546,16 2.912,17 2.864,18 4.961,19 2.848,20 3.714,21 3.87,22 2.927,23 2.887,24 5.316,25 2.849,26 3.627,27 3.822,28 2.623,29 2.635,30 5.008,31 2.596,32 3.397,33 3.602,34 2.308,35 2.238,36 4.852,37 2.23,38 2.896,39 3.129,40 1.525,41 1.614,42 4.272,43 1.563,44 1.96,45 2.252,46 0.285,47 0.771,48 2.944,49 0.614,50 0.635,51 0.899,52 0.007,53 0.135,54 0.693,55 0.067,56 0.096,57 0.227,58 3.494,59 1.845,60 20.323,61 1.95,62 0.187,63 0.336,64 5.435,65 2.775,66 41.222,67 3.163,68 0.371,69 0.4,70 8.711,71 3.337,72 70.525,73 4.103,74 0.263,75 0.347,76 8.697,77 2.887,78 45.432,79 3.576,80 0.265,81 0.252,82 7.476,83 2.065,84 47.192,85 2.513,86 0.19,87 0.14,88 4.856,89 1.157,90 35.191,91 1.452,92 0.075,93 0.049,94 1.988,95 0.425,96 14.776,97 0.625,98 0.007,99 0.008,100 0.34,101 0.074,102 1.423,103 0.145,104 12,105 14,106 0.325,107 0.646,108 0.725,109 0.814,110 0.846,111 0.846,112 2.521,113 0.866,114 -2.16,115 -2.2,116 -2.18,118 42.1,124 1,131 5,132 1,142 1,151 1,153 1,154 6,160 1,162 1,163 1,164 6,165 1,169 1,172 1,173 1,174 3,176 3,177 2,180 2,185 4,188 2,192 2,196 3,200 1,204 1,209 1,253 92,254 7.104,255 7.104,256 7.104,257 7.104,258 7.104,259 6.195,260 5.921,261 4.336,262 7.136,263 5.391,264 5.391,265 5.391,266 5.391,267 5.391,268 4.09,269 5.962,270 2.029,271 5.462,272 2.777,273 1.327,274 0.967,275 0.566,276 0.421,277 0.421,278 3.107,282 1,283 101,284 2.55,286 35.505,291 0.777,292 17.267,295 1,296 0.83,297 0.83,298 0.6,300 1,301 1,302 0.75,303 25,304 53,305 4.149,306 3.84,307 6.28,308 3.88,309 2.9,310 3.597,311 2.531,312 9.17,313 2.832,314 3.512,315 2.795,316 4.899,317 3.075,318 2.076,319 2.795,320 0.962,321 5.27,322 2.057,323 2.876,324 1.823,325 3.662,326 2.414,327 1.414,328 2,330 3.034,331 1.406,332 2.5,333 1.151,334 3.247,335 2,336 1,337 1.5,339 2.136,340 1,341 1.921,342 1,343 3,344 1.544,345 0.605,346 0.734,348 1.339,349 0.554,350 0.653,351 0.452,352 1.862,353 0.224,354 -0.75,355 -0.964,357 -1.608,358 -0.723,359 0.5,360 -0.417,361 1.555,363 -1,364 -1.275,365 -2,366 -0.957,367 0.435,368 -0.739,369 1.296,370 -0.004,371 -1,372 -1.5,373 -2.347,374 -1,375 -0.339,376 -1,377 1,378 -0.498,379 -1.414,380 -1.713,381 -0.759,382 -3.788,383 -1.334,384 -0.5,385 -1.426,386 1,387 -0.835,388 -1.831,389 -2.174,390 -1.064,391 -4.789,392 -1.835,393 -0.708,394 -2,395 0.198,396 -1,397 -2,398 -3,399 -1.669,400 -6.418,401 -2,438 5,439 0.455,440 0.285,441 0.026,442 13.75,443 1.25,444 7.5,445 0.682,446 6.25,447 0.568,448 5.341,449 0.486,450 12.4,451 0.653,452 8.44,453 0.767,454 3.082,455 0.28,456 2.133,457 0.194,458 0.2,460 0.3,462 0.905,463 0.921,464 0.814,465 0.906,466 0.908,467 0.846,468 0.58,469 1.205,470 0.865,471 1.217,472 0.616,473 1.153,474 0.66,475 1.072,476 0.93,477 1.093,478 0.695,479 1.1,480 1.102,481 1.111,482 1.053,483 1.103,484 1.032,485 1.07,486 1.45,487 0.937,488 1.122,489 0.913,490 1.417,491 0.91,492 1.633,493 0.729,494 1.296,495 0.724,496 1.658,497 0.862,498 1.348,499 0.322,500 1.202,501 0.353,502 1.432,503 0.651,510 2,512 1.333,513 0.688,514 0.351,515 0.181,516 0.08,520 553,521 2319,522 1.849,523 42.1,525 6,528 2,531 1.427,532 1.692,533 2.418,534 0.66,540 27.956,541 1.471,542 2.921,543 3.281,544 3.682,545 3.827,546 3.827,547 1.868,548 2.413,549 3.435,550 2.409,551 132.473,552 5.603,553 874.032,558 80.711,559 1.539,560 3.356,561 0.182,563 0.095,564 0.053,565 0.039,566 0.03,567 0.04,571 0.439,572 1,573 1,574 1.455,575 36.606,576 -0.167,577 0.182,578 -0.078,579 0.177,580 -0.207,581 0.099,582 0.139,583 -0.142,584 -0.103,585 -0.165,586 0.094,587 -0.205,588 0.227,589 -0.106,590 -0.022,591 -0.128,592 0.204,593 -0.152,594 -0.148,595 -0.205,596 -0.068,597 -0.19,598 -0.1,599 -0.12,600 -0.261,601 -0.082,602 -0.04,603 -0.057,604 -0.219,605 0.008,606 -0.35,607 0.079,608 -0.138,609 0.089,610 -0.335,611 0.055,612 -0.256,613 0.438,614 0.031,615 0.447,616 -0.282,617 0.358,618 0.414,619 0.719,620 1.308,621 0.842,622 0.416,623 1.263,624 2.892,625 3.25,626 0.545,627 4.512,628 1.027,629 1.12,630 0.93,631 0.864,632 0.653,633 2.485,634 2.708,635 2.833,636 2.833,637 2.833,638 2.398,639 2.197,640 1.609,643 3.162,644 0.645,645 152.16,646 2.485,647 3.932,648 4.71,649 5.517,650 6.319,651 7.132,652 7.938,653 8.752,654 9.56,655 10.374,667 5,672 1,674 6,688 19,689 7,690 1,691 11,693 19,694 8,695 6,696 1,697 5,700 1,701 1,708 1,710 7,711 1,714 1,717 1,719 1,725 8,726 3,727 2,728 3,734 1,735 3,737 1,744 1,751 1,755 2,757 1,765 11,768 2,773 1,782 15.8,783 1,784 1,785 1,789 6.5,790 3.067,791 2.556,792 0.936,794 1.288,795 1.276,796 0.808,797 2.362,798 5.961,799 2.773,800 3.239,801 3.631,802 4.028,803 4.427,804 4.038,805 4.123,806 3.841,809 1,810 13,811 4.042,812 -0.011,813 1.691,814 8.561,815 7.145,816 -0.005,817 5.4,818 -0.008,819 3.061,820 33.667,821 0.006,823 70.627,824 51.477,827 110.512,830 51.477,831 181.138,835 90.065,836 68.738,837 3.186,839 70.627,841 70.627,842 51.477,843 110.512,846 70.627,847 67.828,848 42.683,850 51.477,853 70.627,854 110.512,855 51.477,858 70.627,859 4.095,860 47.381,862 110.512,863 70.627,864 110.512,865 51.477,867 0.568,868 0.322,869 0.144,870 0.068,871 6,872 3,873 0.105,874 2,876 1,877 2.231,878 54.822,880 6,881 34.054,884 7.92,885 3.28,886 1.867,888 110.512,889 8.263,894 0.403,896 85.367,897 232.615,898 15,901 10.25,903 -1.226,905 19.516,906 21.289,907 0.346,908 0.688,909 0.772,910 0.867,911 0.901,912 0.901,913 3.922,914 -1,915 4.673,916 -2,917 3.367,918 3.912,919 2.551,920 5.389,921 3.336,922 5.089,923 -1.414,924 6.196,925 -2.347,926 2.944,927 3.481,928 2.469,929 6.225,930 2.866,931 6.348,932 -1.831,933 7.835,934 -3.788,935 4.86,936 5.917,937 3.956,938 9.253,939 4.794,940 7.643,941 -2,942 9.539,943 -4.789,944 5.252,945 6.205,946 4.512,947 10.914,948 5.121,949 8.967,951 11.284,952 -6.418,953 6.681,954 8.187,955 5.663,956 13.462,957 6.567,958 10.313,960 13.056,962 7.435,963 8.823,964 6.444,965 15.435,966 7.26,967 11.674,969 14.846,971 8.66,972 10.576,973 7.466,974 17.801,975 8.491,976 2.9,978 16.648,980 9.581,981 11.416,982 8.333,983 19.906,984 9.362,985 2.076,986 9.17,987 18.459,989 10.717,990 13.027,991 9.301,992 22.193,993 10.492,994 1.414,995 5.27,996 20.277,997 3.597,998 11.715,999 14.002,1000 10.204,1001 24.357,1002 11.45,1003 1,1004 3.034,1005 22.099,1006 2.795,1007 12.811,1008 15.514,1009 11.15,1010 26.607,1011 12.533,1012 0.605,1013 2.136,1014 23.925,1015 2,1016 13.845,1017 16.582,1018 12.067,1019 28.798,1020 13.533,1021 -0.75,1022 1.339,1023 25.753,1024 1.5,1025 14.924,1026 18.025,1027 13.003,1028 31.031,1029 14.594,1030 -1,1031 -1.608,1032 27.584,1033 0.734,1034 15.974,1035 19.157,1036 13.927,1037 33.235,1038 15.615,1039 646,1040 1360,1041 6.762,1042 12.409,1043 16.282,1044 16.237,1045 16.722,1046 16.009,1047 15.99,1048 21.251,1049 6.985,1050 41.9,1051 15.698,1052 4.858,1053 5.84,1054 6.082,1055 4.88,1056 4.9,1057 6.597,1058 4.2,1059 15.589,1060 4.832,1061 5.736,1062 1.48,1063 1.476,1064 1.52,1065 1.455,1066 1.454,1067 1.932,1068 0.635,1069 3.809,1070 1.427,1071 3.924,1072 3.948,1073 3.858,1074 3.857,1075 7.476,1076 3.852,1077 3.477,1078 3.475,1079 3.415,1080 3.235,1081 6.449,1082 3.274,1083 2.863,1084 2.925,1085 2.758,1086 2.735,1087 6.344,1088 2.715,1089 2.854,1090 2.878,1091 2.687,1092 2.612,1093 4.726,1094 2.64,1095 2.527,1096 2.577,1097 2.333,1098 2.043,1099 3.674,1100 2.116,1101 2.039,1102 2.093,1103 1.802,1104 1.351,1105 3.605,1106 1.434,1107 1.73,1108 1.859,1109 1.313,1110 1.217,1111 2.565,1112 1.213,1113 1.602,1114 1.802,1115 1.039,1116 1.199,1117 1.992,1118 1.144,1119 0.377,1120 0.349,1121 0.571,1122 0.353,1123 0.264,1124 4.149,1125 0.327,1126 3.84,1127 0.23,1128 6.28,1129 0.834,1130 3.88,1131 0.257,1132 2.9,1133 3.597,1134 2.531,1135 9.17,1136 2.832,1137 1.909,1138 1.885,1139 2.029,1140 2,1141 1.126,1142 2.009,1143 1.342,1144 1.335,1145 1.492,1146 1.623,1147 0.569,1148 1.573,1149 0.886,1150 0.821,1151 1.181,1152 1.083,1153 0.218,1154 1.107,1155 0.744,1156 0.72,1157 0.983,1158 1.062,1160 1.032,1161 0.34,1162 0.291,1163 0.75,1164 0.825,1166 0.821,1169 0.433,1170 0.44,1172 0.418,1175 0.381,1176 0.188,1178 0.23,1181 0.289,1182 0.133,1184 0.195,1185 3.135,1186 4.369,1188 5.814,1190 7.341,1192 8.907,1199 17.384,1204 -1.406,1209 12.252,1210 27.956,1211 55.491,1212 62.346,1213 69.956,1214 72.711,1215 72.711,1216 18.261,1217 4.673,1218 57.53,1219 57.53,1220 6,1221 10.961,1222 3,1223 2.322,1224 19.107,1225 20,1226 15,1227 0.51,1228 80.395,1229 139.51,1230 187.924,1231 379,1233 8.268,1234 0.752,1235 0.524,1236 8.268,1237 5.767,1238 5.215,1239 0.474,1240 0.289,1241 3.127,1242 5.012,1243 3.077,1244 2.563,1245 5.215,1246 3.174,1247 4.501,1248 0.322,1249 0.154,1250 4.501,1251 2.151,1252 3.445,1253 0.215,1254 0.084,1255 3.445,1256 1.349,1257 2.204,1258 0.138,1259 0.049,1260 2.204,1261 0.778,1262 1.536,1263 0.096,1264 0.028,1265 1.536,1266 0.444,1267 0.732,1268 33.023,1269 0.385,1270 11.032,1271 1.58,1272 50,1273 200.035,1274 56.532,1275 188.754,1276 236.13,1277 172,1278 55,1279 151.939,1280 60.869,1281 153.093,1282 219.62,1283 143,1284 4}
{0 CHEMBL201289,1 1.647,2 5.941,3 2.827,4 7.994,5 70.626,6 10.143,7 0.316,8 3.494,9 3.588,10 3.321,11 3.14,12 4.605,13 3.103,14 4.042,15 4.164,16 3.798,17 3.61,18 5.216,19 3.538,20 4.403,21 4.592,22 3.859,23 3.773,24 5.421,25 3.655,26 4.431,27 4.642,28 3.807,29 3.7,30 5.471,31 3.594,32 4.315,33 4.519,34 3.822,35 3.509,36 5.546,37 3.393,38 3.971,39 4.196,40 3.506,41 3.142,42 5.141,43 2.933,44 3.33,45 3.569,46 2.614,47 2.379,48 4.451,49 2.108,50 2.25,51 2.488,52 2.936,53 1.303,54 3.771,55 1.239,56 0.051,57 0.378,58 3.29,59 2.668,60 9.329,61 3.118,62 0.15,63 0.658,64 6.632,65 4.924,66 35.408,67 6.05,68 0.29,69 0.917,70 23.262,71 7.786,72 41.997,73 9.413,74 0.277,75 0.932,76 22.363,77 7.738,78 45.306,79 9.201,80 0.299,81 0.76,82 23.155,83 7.27,84 47.594,85 8.163,86 0.253,87 0.498,88 28.324,89 6.245,90 41.123,91 6.569,92 0.18,93 0.238,94 25.66,95 3.74,96 26.052,97 3.601,98 0.126,99 0.069,100 8.674,101 1.201,102 12.219,103 1.036,104 11,105 28,106 0.319,107 0.74,108 0.881,109 0.926,110 0.926,111 0.926,112 2.912,113 1.013,114 -4.08,115 -4.02,116 -3.81,117 1,118 44.8,120 1,121 2,124 1,128 2,131 3,132 1,133 2,142 1,151 1,153 1,154 8,160 1,162 3,163 1,164 12,165 1,169 1,172 1,173 1,174 5,176 9,177 2,180 2,185 4,187 6,188 4,192 4,196 5,199 6,200 2,204 2,209 2,212 4,226 1,230 1,234 1,253 223,254 11.361,255 11.361,256 11.361,257 11.361,258 11.361,259 10.22,260 16.157,261 6.525,262 11.58,263 9.377,264 9.377,265 9.377,266 9.377,267 9.377,268 7.661,269 23.273,270 3.077,271 9.799,272 3.211,273 1.034,274 0.302,275 0.069,276 0.069,277 0.069,278 3.583,281 1,282 1,283 216,284 2.449,285 23.872,286 58.88,288 43.685,289 50.173,291 1.01,292 18.366,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 36.25,304 101,305 4.463,306 3.813,307 6.891,308 4.261,309 3.274,310 3.991,311 2.375,312 11.552,313 3.229,314 3.951,315 3.386,316 6.161,317 3.651,318 2.675,319 3.195,320 0.68,321 8.893,322 2.603,323 3.602,324 2.851,325 5.583,326 3.32,327 2.344,328 2.805,329 0.458,330 7.157,331 2.278,332 3.404,333 2.457,334 4.955,335 2.946,336 2.076,337 2.644,339 5.794,340 1.678,341 2.881,342 2.248,343 4.537,344 2.549,345 1.555,346 1.968,348 4.188,349 1.532,350 2.707,351 1.594,352 3.833,353 2.193,354 1.195,355 1.61,357 2.81,358 1.184,359 2.149,360 1.07,361 3.479,362 1.825,363 0.831,364 1.024,365 2.059,366 0.823,367 1.78,368 0.966,369 3.358,370 1.595,371 0.631,372 0.7,373 1.676,374 0.593,375 1.214,376 0.603,377 2.721,378 0.82,379 -0.062,380 -0.073,382 -0.153,383 -0.042,384 0.669,385 0.338,386 2.467,387 0.307,388 -0.682,389 -0.839,391 -1.971,392 -0.532,393 0.497,394 -0.23,395 2.324,396 0.061,397 -0.811,398 -0.913,400 -2,401 -0.683,402 0.333,403 -0.438,404 1.815,405 -0.022,406 -1,407 -1.339,409 -2.239,410 -0.966,411 0.086,412 -1.009,413 1.761,414 -0.264,415 -1.181,416 -1.558,418 -3.256,419 -1.081,420 -0.198,421 -1.042,422 1.494,423 -0.574,424 -1.464,425 -1.618,427 -3.819,428 -1.366,429 -0.5,430 -1.34,431 1.294,432 -0.666,433 -1.579,434 -1.852,436 -5.015,437 -1.578,438 8.9,439 0.524,440 0.507,441 0.03,442 19.5,443 1.147,444 9,445 0.529,446 10.5,447 0.618,448 14.862,449 0.874,450 17.5,451 0.603,452 10.886,453 0.64,454 3.468,455 0.204,456 4.696,457 0.276,458 0.225,460 0.393,462 0.772,463 0.961,464 0.471,465 0.671,466 0.7,467 0.743,468 0.421,469 1.177,470 0.529,471 0.845,472 0.355,473 0.965,474 0.682,475 1.077,476 0.787,477 0.954,478 0.695,479 1.05,480 1.008,481 0.98,482 0.601,483 0.811,484 0.979,485 0.92,486 1.301,487 1.011,488 0.814,489 0.967,490 1.357,491 1.005,492 1.458,493 0.902,494 1.658,495 1.198,496 1.464,497 1.105,498 1.88,499 0.809,500 2.809,501 1.679,502 1.857,503 1.287,504 0.298,505 0.504,506 2.419,507 1.787,508 0.929,509 0.554,510 3.5,512 2.222,513 1.056,514 1.444,515 0.681,516 0.242,517 0.118,520 2056,521 6978,522 2.091,523 41.4,524 3,525 6,528 2,530 1,531 1.578,532 1.925,533 2.609,534 0.411,536 1,537 1,538 1,540 47.756,541 1.647,542 3.824,543 4.556,544 4.789,545 4.789,546 4.789,547 2.207,548 3.617,549 4.062,550 2.686,551 365.348,552 6.908,553 3177.54,554 1,555 1,556 1,557 1,558 140.881,559 1.496,560 4.004,561 0.184,563 0.079,564 0.038,565 0.056,566 0.034,567 0.024,568 0.039,571 0.454,572 1,573 1,574 0.922,575 67.547,576 -0.105,577 0.115,578 -0.007,579 0.095,580 -0.075,581 0.086,582 0.169,583 -0.131,584 0.003,585 -0.05,586 0.203,587 -0.097,588 0.052,589 -0.067,590 -0.051,591 -0.076,592 -0.006,593 -0.113,594 -0.108,595 0.028,596 0.005,597 0.029,598 -0.106,599 0.014,600 -0.105,601 -0.086,602 0.02,603 -0.035,604 -0.069,605 -0.044,606 -0.197,607 -0.055,608 -0.097,609 -0.003,610 -0.141,611 -0.032,612 -0.35,613 -0.012,614 -0.384,615 -0.196,616 -0.308,617 -0.123,618 1.489,619 0.251,620 0.736,621 -0.061,622 0.809,623 0.734,624 2.433,625 4.274,626 0.765,627 8.595,628 1.01,629 1.112,630 2.845,631 8.096,632 0.718,633 2.996,634 3.367,635 3.689,636 4.025,637 4.29,638 4.394,639 4.477,640 4.522,641 4.369,642 4.143,643 3.771,644 0.677,645 294.16,646 2.996,647 4.554,648 5.434,649 6.347,650 7.253,651 8.172,652 9.086,653 10.005,654 10.921,655 11.841,656 3.4,659 1,667 3,672 3,674 6,683 1,687 1,688 29,689 8,690 1,691 19,692 1,693 31,694 13,695 6,696 3,697 3,700 3,701 6,705 2,706 2,708 2,710 9,711 4,712 2,714 2,717 1,718 2,719 1,722 1,725 12,726 3,727 2,728 4,729 1,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,760 1,765 17,768 1,769 1,770 1,773 3,781 1,782 6.9,784 1,785 1,789 8.833,790 4.926,791 3.639,792 1.725,794 1.667,795 1.253,796 0.962,797 2.659,798 8.259,799 3.219,800 3.773,801 4.266,802 4.811,803 5.325,804 5.562,805 5.82,806 6.129,807 6.221,808 6.23,809 1,810 28,811 6.315,813 2.831,814 7.877,815 12.07,817 10.643,819 2.377,820 40.417,821 0.002,823 117.711,824 59.823,825 63.965,827 67.828,830 105.777,831 185.539,832 18.011,834 2.535,835 47.381,836 86.749,837 8.997,839 117.711,840 45.954,841 117.711,842 77.834,843 67.828,845 45.954,846 105.94,847 79.599,849 2.535,850 38.336,851 36.963,852 45.954,853 117.711,854 85.839,855 105.777,858 117.711,859 12.442,860 47.381,861 63.965,862 67.828,863 117.711,864 85.839,865 105.777,867 0.594,868 0.353,869 0.203,870 0.119,871 16,872 7,873 0.032,874 1,875 2,876 1.308,877 2.841,878 128.715,879 0.308,880 13,881 69.487,884 11.148,885 4.054,886 1.767,888 85.839,889 5.954,894 3.162,896 60.694,897 309.327,898 24,901 11.274,902 4.218,903 -0.766,905 29.287,906 32.25,907 0.339,908 0.787,909 0.938,910 0.986,911 0.986,912 0.986,913 4.494,914 0.631,915 5.451,916 2.059,917 4.043,918 4.454,919 2.429,920 6.33,921 3.969,922 5.695,923 -0.062,924 7.052,925 1.676,926 3.761,927 4.27,928 2.243,929 7.361,930 3.621,931 7.005,932 -0.682,933 8.754,934 -0.153,935 5.694,936 6.522,937 3.71,938 10.507,939 5.582,940 8.345,941 -0.811,942 10.515,943 -1.971,944 6.217,945 7.11,946 4.173,947 12.363,948 6.074,949 9.714,950 -1,951 12.314,952 -2,953 7.657,954 8.884,955 5.293,956 15.042,957 7.525,958 11.105,959 -1.181,960 14.139,961 -2.239,962 8.539,963 9.836,964 5.987,965 17.236,966 8.393,967 12.512,968 -1.464,969 15.983,970 -3.256,971 9.8,972 11.414,973 6.966,974 19.76,975 9.654,976 3.274,977 -1.579,978 17.842,979 -3.819,980 10.846,981 12.557,982 7.754,983 22.097,984 10.689,985 2.675,986 11.552,987 19.711,988 -5.015,989 12.045,990 14.042,991 8.671,992 24.566,993 11.882,994 2.344,995 8.893,996 21.59,997 3.991,998 13.164,999 15.29,1000 9.5,1001 26.964,1002 12.991,1003 2.076,1004 7.157,1005 23.476,1006 3.195,1007 14.345,1008 16.728,1009 10.389,1010 29.416,1011 14.162,1012 1.555,1013 5.794,1014 25.368,1015 2.805,1016 15.497,1017 18.035,1018 11.238,1019 31.839,1020 15.303,1021 1.195,1022 4.188,1023 27.265,1024 2.644,1025 16.674,1026 19.448,1027 12.114,1028 34.286,1029 16.469,1030 0.831,1031 2.81,1032 29.167,1033 1.968,1034 17.842,1035 20.788,1036 12.971,1037 36.721,1038 17.625,1039 2067,1040 3845,1041 12.542,1042 20.835,1043 29.667,1044 30.151,1045 30.439,1046 29.435,1047 29.16,1048 35.872,1049 7.025,1050 88.257,1051 27.839,1052 5.412,1053 5.813,1054 6.362,1055 5.302,1056 5.274,1057 6.991,1058 3.987,1059 19.135,1060 5.229,1061 8.139,1062 1.561,1063 1.587,1064 1.602,1065 1.549,1066 1.535,1067 1.888,1068 0.37,1069 4.645,1070 1.465,1071 4.061,1072 4.091,1073 6.88,1074 3.999,1075 7.474,1076 3.991,1077 3.711,1078 3.742,1079 3.971,1080 3.664,1081 6.351,1082 3.642,1083 3.468,1084 3.487,1085 3.553,1086 3.249,1087 4.78,1088 3.277,1089 2.99,1090 3.016,1091 3.398,1092 2.89,1093 4.414,1094 2.846,1095 2.897,1096 2.962,1097 2.787,1098 2.785,1099 4.034,1100 2.765,1101 2.752,1102 2.815,1103 2.748,1104 2.53,1105 3.63,1106 2.544,1107 2.434,1108 2.548,1109 2.509,1110 2.222,1111 3.454,1112 2.196,1113 2.377,1114 2.457,1115 2.183,1116 2.115,1117 3.127,1118 2.1,1119 0.235,1120 0.201,1121 0.363,1122 0.224,1123 0.172,1124 4.463,1125 0.21,1126 3.813,1127 0.125,1128 6.891,1129 0.608,1130 4.261,1131 0.17,1132 3.274,1133 3.991,1134 2.375,1135 11.552,1136 3.229,1137 1.966,1138 1.943,1139 2.044,1140 2.057,1141 1.381,1142 2.06,1143 1.618,1144 1.581,1145 1.8,1146 1.759,1147 1.048,1148 1.773,1149 1.49,1150 1.451,1151 1.649,1152 1.608,1153 0.82,1154 1.63,1155 1.144,1156 1.113,1157 1.345,1158 1.416,1159 0.515,1160 1.394,1161 0.866,1162 0.839,1163 1.067,1164 1.13,1165 0.144,1166 1.104,1167 0.724,1168 0.661,1169 0.948,1170 0.931,1171 0.074,1172 0.969,1173 0.391,1174 0.329,1175 0.719,1176 0.7,1178 0.73,1179 0.123,1181 0.677,1182 0.498,1184 0.568,1185 3.664,1186 5.017,1187 2.398,1188 6.575,1189 4.595,1190 8.238,1191 6.629,1192 9.962,1193 3.463,1199 9.266,1200 0.834,1201 3.135,1204 -0.122,1209 19.637,1210 47.756,1211 110.907,1212 132.127,1213 138.881,1214 138.881,1215 138.881,1216 27.191,1217 6.592,1218 49.33,1219 49.33,1220 17,1221 12.35,1222 3.17,1223 2.585,1224 23.483,1225 41,1226 34,1227 0.325,1228 125.354,1229 220.14,1230 297.625,1231 5093,1232 3.4,1233 11.991,1234 0.705,1235 0.626,1236 12.991,1237 10.645,1238 8.165,1239 0.43,1240 0.338,1241 5.622,1242 7.391,1243 5.481,1244 4.464,1245 8.742,1246 6.414,1247 7.744,1248 0.277,1249 0.195,1250 8.561,1251 5.461,1252 6.466,1253 0.166,1254 0.105,1255 6.991,1256 4.084,1257 5.676,1258 0.103,1259 0.058,1260 6.115,1261 3.188,1262 4.807,1263 0.067,1264 0.032,1265 5.389,1266 2.326,1267 0.469,1268 58.923,1269 0.282,1270 16.37,1271 1.026,1272 94,1273 258.873,1274 166.353,1275 288.116,1276 376.27,1277 266,1278 114,1279 243.372,1280 148.195,1281 259.156,1282 381.89,1283 245,1284 4}
{0 CHEMBL244695,1 1.581,2 6.842,3 1.683,4 2.833,5 69.761,6 8.103,7 0.286,8 3.601,9 3.688,10 3.212,11 3.155,12 4.835,13 3.161,14 4.126,15 4.239,16 3.633,17 3.611,18 5.502,19 3.584,20 4.483,21 4.663,22 3.706,23 3.781,24 5.637,25 3.72,26 4.561,27 4.76,28 3.668,29 3.737,30 5.74,31 3.685,32 4.45,33 4.65,34 3.498,35 3.539,36 5.725,37 3.49,38 4.185,39 4.393,40 3.169,41 3.168,42 5.542,43 3.118,44 3.838,45 4.037,46 2.71,47 2.629,48 5.238,49 2.628,50 3.302,51 3.527,52 2.031,53 1.929,54 4.708,55 1.942,56 0.119,57 0.435,58 5.752,59 3.051,60 21.784,61 3.341,62 0.3,63 0.738,64 10.218,65 5.317,66 64.738,67 6.39,68 0.4,69 1.002,70 17.611,71 7.425,72 61.691,73 9.464,74 0.505,75 1.029,76 20.84,77 7.58,78 86.927,79 9.496,80 0.47,81 0.861,82 19.307,83 6.971,84 80.68,85 8.624,86 0.471,87 0.627,88 15.594,89 5.188,90 71.281,91 6.467,92 0.393,93 0.401,94 11.627,95 3.292,96 74.854,97 3.692,98 0.283,99 0.21,100 7.521,101 1.821,102 54.256,103 2.042,104 21,105 31,106 0.297,107 0.728,108 0.876,109 0.928,110 0.928,111 0.928,112 3.013,113 0.873,114 -3.08,115 -3.08,116 -2.96,118 43.8,120 1,121 2,124 1,128 2,131 3,132 2,133 1,142 2,151 2,153 2,154 10,155 1,157 1,160 2,162 4,163 1,164 12,165 3,169 3,172 1,173 1,174 7,176 8,177 4,180 4,185 7,187 7,188 5,192 5,196 5,197 1,199 6,200 4,204 4,207 1,208 1,209 4,212 2,213 3,217 3,222 3,227 1,231 2,235 2,241 1,245 2,246 1,253 342,254 12.569,255 12.569,256 12.569,257 12.569,258 12.569,259 11.335,260 16.791,261 7.167,262 12.628,263 10.345,264 10.345,265 10.345,266 10.345,267 10.345,268 8.424,269 23.252,270 3.351,271 10.449,272 3.419,273 1.124,274 0.336,275 0.063,276 0.063,277 0.063,278 3.685,281 1,282 1,283 275,284 3,285 29.327,286 69.264,288 52.678,289 59.108,291 1.219,292 30.244,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 42.5,304 130,305 4.481,306 3.813,307 6.894,308 4.268,309 3.279,310 4.037,311 2.375,312 11.562,313 3.242,314 4.07,315 3.586,316 6.197,317 3.783,318 2.784,319 3.356,320 1.437,321 9.048,322 2.77,323 3.761,324 3.353,325 5.847,326 3.465,327 2.468,328 3.011,329 0.68,330 7.842,331 2.446,332 3.548,333 2.574,334 5.56,335 3.267,336 2.286,337 2.713,338 0.458,339 7.092,340 2.235,341 2.886,342 2.27,343 4.545,344 2.552,345 1.559,346 1.969,348 4.211,349 1.536,350 2.789,351 1.876,352 3.895,353 2.275,354 1.273,355 1.792,357 2.983,358 1.257,359 2.687,360 1.587,361 3.769,362 2.176,363 1.175,364 1.59,365 2.809,366 1.167,367 2.131,368 1.068,369 3.465,370 1.82,371 0.822,372 1.002,373 2.059,374 0.819,375 1.772,376 0.933,377 3.346,378 1.573,379 0.595,380 0.674,382 1.584,383 0.577,384 1.096,385 0.529,386 2.696,387 0.757,388 -0.228,389 -0.272,391 -0.61,392 -0.222,393 0.666,394 0.427,395 2.462,396 0.306,397 -0.687,398 -0.845,400 -1.987,401 -0.68,402 0.498,403 0.038,404 2.286,405 0.056,406 -0.972,407 -1.14,409 -2,410 -0.911,411 0.424,412 -0.424,413 1.858,414 -0.009,415 -1,416 -1.338,418 -2,419 -0.969,420 0.293,421 -0.734,422 1.765,423 -0.042,424 -1,425 -1.431,427 -3.004,428 -1.01,429 -0.038,430 -1.042,431 1.507,432 -0.282,433 -1.267,434 -1.601,436 -3.43,437 -1.27,438 8.733,439 0.46,440 0.597,441 0.031,442 22.5,443 1.184,444 10.5,445 0.553,446 12,447 0.632,448 14.388,449 0.757,450 20.667,451 0.646,452 16.166,453 0.851,454 4.456,455 0.235,456 4.619,457 0.243,458 0.153,460 0.458,462 0.811,463 0.984,464 0.752,465 0.875,466 0.731,467 0.807,468 0.363,469 1.189,470 0.774,471 1.106,472 0.335,473 1.063,474 0.605,475 1.127,476 0.931,477 1.102,478 0.61,479 1.108,480 0.955,481 1.002,482 1.02,483 0.99,484 0.901,485 1.006,486 1.06,487 1.045,488 1.018,489 1.09,490 1.051,491 1.053,492 1.132,493 0.965,494 1.05,495 1.043,496 1.205,497 1.039,498 1.863,499 0.935,500 1.319,501 0.986,502 1.93,503 1,504 2.184,505 0.62,506 1.315,507 0.638,508 2.258,509 0.723,510 4,512 2.667,513 1.181,514 1.524,515 0.917,516 0.335,517 0.255,518 0.099,520 2794,521 9941,522 2.05,523 40.6,524 3,525 6,528 3,530 1,531 1.609,532 1.869,533 2.796,534 1.148,536 1,537 1,538 1,540 50.591,541 1.581,542 3.876,543 4.664,544 4.938,545 4.938,546 4.938,547 2.268,548 3.932,549 4.218,550 2.906,551 496.859,552 7.218,553 4662.74,554 1,555 1,557 1,558 160,559 1.529,560 4.153,561 0.19,563 0.086,564 0.037,565 0.051,566 0.038,567 0.021,568 0.028,569 0.025,571 0.476,572 0.67,573 1,574 1.039,575 79.786,576 -0.133,577 0.146,578 -0.026,579 0.174,580 -0.097,581 0.121,582 0.224,583 -0.089,584 -0.024,585 -0.063,586 0.24,587 -0.104,588 0.041,589 -0.093,590 -0.059,591 -0.105,592 0.02,593 -0.114,594 -0.126,595 -0.003,596 -0.067,597 -0.028,598 -0.107,599 -0.024,600 -0.111,601 -0.12,602 -0.018,603 -0.121,604 -0.097,605 -0.057,606 -0.032,607 -0.072,608 0.01,609 -0.097,610 -0.095,611 -0.052,612 -0.361,613 -0.094,614 -0.164,615 -0.088,616 -0.381,617 -0.072,618 -0.455,619 0.148,620 -0.038,621 0.233,622 -0.458,623 0.217,624 2.637,625 4.298,626 0.684,627 11.684,628 1.022,629 1.12,630 1.85,631 3.424,632 0.669,633 3.091,634 3.466,635 3.784,636 4.094,637 4.369,638 4.533,639 4.644,640 4.718,641 4.71,642 4.443,643 4.265,644 0.658,645 259.28,646 3.091,647 4.654,648 5.533,649 6.444,650 7.351,651 8.267,652 9.181,653 10.1,654 11.018,655 11.938,656 3.1,659 1,667 3,672 3,674 6,680 1,683 1,688 32,689 9,690 1,691 21,693 34,694 14,695 6,696 3,697 3,698 1,700 3,701 6,705 2,706 2,708 2,710 10,711 4,712 2,714 3,717 2,718 2,719 2,721 1,722 1,725 13,726 5,727 3,728 5,732 1,734 0.333,735 4,743 1,744 2,746 1,747 1,751 1,752 2,755 2,757 1,765 19,768 2,769 1,770 1,773 3,782 12.5,784 2,785 2,789 10.167,790 5.4,791 4.083,792 1.843,794 1.75,795 1.257,796 0.916,797 2.826,798 8.562,799 3.332,800 3.882,801 4.385,802 4.915,803 5.449,804 5.782,805 6.098,806 6.334,807 6.578,808 6.489,809 0.8,810 32,811 7.073,813 3.241,814 8.254,815 13.028,817 11.385,819 2.754,820 52.333,823 117.711,824 60.863,825 18.011,827 135.657,830 60.863,831 253.368,832 18.011,834 2.535,835 47.381,836 155.487,837 9.128,839 117.711,841 117.711,842 78.874,843 135.657,846 105.94,847 147.428,849 2.535,850 39.376,851 36.963,853 117.711,854 153.667,855 60.863,858 117.711,859 13.482,860 47.381,861 18.011,862 135.657,863 117.711,864 153.667,865 60.863,867 0.597,868 0.354,869 0.193,870 0.111,871 17,872 8,873 0.059,874 2,875 2,876 1.308,877 2.998,878 149.188,879 0.308,880 13,881 80.711,884 12.24,885 4.387,886 1.923,888 153.667,889 4.777,894 1.815,896 103.377,897 332.242,898 27,901 22.316,902 3.946,903 -1.839,905 32.713,906 35.827,907 0.316,908 0.775,909 0.933,910 0.988,911 0.988,912 0.988,913 4.61,914 0.822,915 5.557,916 2.809,917 4.143,918 4.564,919 2.739,920 6.438,921 4.122,922 5.818,923 0.595,924 7.165,925 2.059,926 3.892,927 4.425,928 2.243,929 7.483,930 3.857,931 7.134,932 -0.228,933 8.873,934 1.584,935 5.802,936 6.642,937 3.9,938 10.611,939 5.761,940 8.479,941 -0.687,942 10.639,943 -0.61,944 6.347,945 7.28,946 4.173,947 12.459,948 6.294,949 9.853,950 -0.972,951 12.44,952 -1.987,953 7.772,954 9.024,955 5.378,956 15.123,957 7.71,958 11.249,959 -1,960 14.264,961 -2,962 8.66,963 10.016,964 5.987,965 17.303,966 8.587,967 12.66,968 -1,969 16.105,970 -2,971 9.91,972 11.572,973 6.999,974 19.815,975 9.828,976 3.279,977 -1.267,978 17.959,979 -3.004,980 10.953,981 12.742,982 7.754,983 22.142,984 10.859,985 2.784,986 11.562,987 19.823,988 -3.43,989 12.143,990 14.213,991 8.683,992 24.605,993 12.039,994 2.468,995 9.048,996 21.695,997 4.037,998 13.256,999 15.481,1000 9.5,1001 26.996,1002 13.14,1003 2.286,1004 7.842,1005 23.574,1006 3.356,1007 14.43,1008 16.912,1009 10.394,1010 29.444,1011 14.302,1012 1.559,1013 7.092,1014 25.459,1015 3.011,1016 15.576,1017 18.233,1018 11.238,1019 31.864,1020 15.437,1021 1.273,1022 4.211,1023 27.349,1024 2.713,1025 16.748,1026 19.644,1027 12.116,1028 34.309,1029 16.597,1030 1.175,1031 2.983,1032 29.243,1033 1.969,1034 17.911,1035 20.996,1036 12.971,1037 36.743,1038 17.749,1039 2825,1040 5366,1041 13.641,1042 21.392,1043 33.11,1044 33.616,1045 33.894,1046 32.527,1047 32.48,1048 40.29,1049 9.898,1050 98.382,1051 32.099,1052 5.43,1053 5.813,1054 6.365,1055 5.31,1056 5.279,1057 7.037,1058 3.987,1059 19.147,1060 5.242,1061 10.339,1062 1.577,1063 1.601,1064 1.614,1065 1.549,1066 1.547,1067 1.919,1068 0.471,1069 4.685,1070 1.529,1071 4.07,1072 4.099,1073 4.013,1074 3.997,1075 7.477,1076 3.996,1077 3.748,1078 3.773,1079 3.678,1080 3.664,1081 7.472,1082 3.66,1083 3.473,1084 3.496,1085 3.403,1086 3.252,1087 6.352,1088 3.283,1089 3.266,1090 3.248,1091 3.227,1092 3.002,1093 6.35,1094 3.053,1095 2.898,1096 2.964,1097 2.75,1098 2.789,1099 4.743,1100 2.772,1101 2.856,1102 2.89,1103 2.741,1104 2.533,1105 4.391,1106 2.566,1107 2.67,1108 2.749,1109 2.492,1110 2.392,1111 3.962,1112 2.43,1113 2.43,1114 2.541,1115 2.184,1116 2.216,1117 3.62,1118 2.196,1119 0.213,1120 0.182,1121 0.328,1122 0.203,1123 0.156,1124 4.481,1125 0.192,1126 3.813,1127 0.113,1128 6.894,1129 0.551,1130 4.268,1131 0.154,1132 3.279,1133 4.037,1134 2.375,1135 11.562,1136 3.242,1137 1.977,1138 1.955,1139 2.066,1140 2.074,1141 1.383,1142 2.072,1143 1.631,1144 1.597,1145 1.811,1146 1.791,1147 1.057,1148 1.79,1149 1.508,1150 1.469,1151 1.681,1152 1.641,1153 0.831,1154 1.656,1155 1.146,1156 1.113,1157 1.351,1158 1.427,1159 0.516,1160 1.394,1161 1.064,1162 1.07,1163 1.177,1164 1.372,1165 0.173,1166 1.312,1167 0.744,1168 0.689,1169 1.027,1170 1.055,1171 0.108,1172 1.007,1173 0.595,1174 0.546,1175 0.864,1176 0.93,1178 0.969,1179 0.307,1180 0.246,1181 0.693,1182 0.662,1184 0.679,1185 3.761,1186 5.118,1187 2.398,1188 6.676,1189 4.595,1190 8.335,1191 6.629,1192 10.053,1199 18.304,1200 0.7,1201 3.002,1204 -0.686,1209 21.041,1210 50.591,1211 124.026,1212 149.245,1213 158,1214 158,1215 158,1216 39.704,1217 6.811,1218 86.63,1219 86.63,1220 17,1221 12.447,1222 3.322,1223 2.807,1224 27.598,1225 50,1226 44,1227 0.3,1228 128.098,1229 233.1,1230 304.319,1231 6683,1233 13.569,1234 0.714,1235 0.528,1236 13.569,1237 10.037,1238 9.075,1239 0.432,1240 0.291,1241 6.033,1242 8.734,1243 5.953,1244 4.861,1245 9.075,1246 6.109,1247 8.643,1248 0.279,1249 0.159,1250 8.643,1251 4.921,1252 7.187,1253 0.167,1254 0.09,1255 7.187,1256 3.876,1257 6.096,1258 0.103,1259 0.05,1260 6.096,1261 2.972,1262 5.068,1263 0.065,1264 0.026,1265 5.068,1266 2.051,1267 0.441,1268 57.17,1269 0.271,1270 18.292,1271 0.918,1272 104,1273 336.103,1274 114.91,1275 320.232,1276 418.79,1277 294,1278 126,1279 292.305,1280 135.253,1281 294.164,1282 432.82,1283 277,1284 4}
{0 CHEMBL271690,1 1.609,2 5.947,3 1.081,4 1.169,5 71.583,6 7.827,7 0.286,8 3.622,9 3.731,10 3.209,11 3.175,12 4.826,13 3.171,14 4.149,15 4.279,16 3.625,17 3.632,18 5.438,19 3.596,20 4.504,21 4.689,22 3.727,23 3.805,24 5.627,25 3.742,26 4.581,27 4.781,28 3.754,29 3.791,30 5.771,31 3.741,32 4.544,33 4.749,34 3.577,35 3.645,36 5.81,37 3.59,38 4.328,39 4.561,40 3.221,41 3.302,42 5.603,43 3.229,44 3.994,45 4.227,46 2.879,47 2.737,48 5.712,49 2.689,50 3.42,51 3.714,52 1.098,53 1.93,54 4.625,55 1.727,56 0.089,57 0.479,58 6.308,59 2.982,60 17.903,61 3.568,62 0.223,63 0.79,64 11.242,65 5.433,66 51.701,67 6.891,68 0.353,69 1.044,70 18.609,71 7.456,72 61.461,73 9.815,74 0.418,75 1.099,76 20.997,77 7.505,78 68.698,79 9.879,80 0.429,81 0.975,82 21.166,83 7.185,84 78.338,85 9.183,86 0.366,87 0.738,88 18.193,89 5.81,90 71.083,91 7.706,92 0.561,93 0.478,94 13.904,95 3.641,96 115.886,97 4.937,98 0.324,99 0.239,100 8.92,101 1.847,102 62.005,103 2.432,104 21,105 31,106 0.3,107 0.734,108 0.881,109 0.919,110 0.919,111 0.919,112 3.014,113 0.883,114 -2.67,115 -2.69,116 -2.62,118 42.4,120 1,121 2,124 1,128 2,131 3,132 2,133 1,142 2,147 1,148 1,149 1,151 1,153 1,154 10,157 1,159 1,160 2,162 4,163 1,164 12,165 1,167 1,169 2,172 1,173 1,174 6,176 8,177 2,178 1,180 4,183 1,184 1,185 7,186 1,187 7,188 4,190 2,192 6,196 6,199 6,200 2,202 2,204 4,205 1,209 4,210 1,212 2,213 1,214 2,215 1,216 1,217 3,219 1,220 2,221 1,222 3,224 1,228 2,253 339,254 12.621,255 12.621,256 12.621,257 12.621,258 12.621,259 11.36,260 17.337,261 7.229,262 12.651,263 10.345,264 10.345,265 10.345,266 10.345,267 10.345,268 8.41,269 24.897,270 3.349,271 10.405,272 3.435,273 1.113,274 0.326,275 0.121,276 0.121,277 0.121,278 3.685,281 1,282 1,283 240,284 3,285 28.354,286 67.809,288 50.263,289 58.106,291 0.809,292 28.045,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 42,304 113,305 4.551,306 3.82,307 6.968,308 4.306,309 3.317,310 4.148,311 2.375,312 11.829,313 3.278,314 4.08,315 3.56,316 6.439,317 3.851,318 2.85,319 3.291,320 0.98,321 9.82,322 2.848,323 3.738,324 3.319,325 5.944,326 3.477,327 2.481,328 2.966,329 0.68,330 8.104,331 2.459,332 3.394,333 2.599,334 5.302,335 3.062,336 2.059,337 2.547,338 0.458,339 6.102,340 2.054,341 2.923,342 2.272,343 4.491,344 2.517,345 1.533,346 2.077,348 3.987,349 1.495,350 2.801,351 1.751,352 3.883,353 2.392,354 1.383,355 1.816,357 3.166,358 1.39,359 2.691,360 1.464,361 3.776,362 2.175,363 1.171,364 1.59,365 2.745,366 1.168,367 2.167,368 1.234,369 3.464,370 1.849,371 0.844,372 1.032,373 2.092,374 0.845,375 1.769,376 0.938,377 3.346,378 1.57,379 0.591,380 0.67,382 1.558,383 0.574,384 1.064,385 0.518,386 2.687,387 0.738,388 -0.247,389 -0.289,391 -0.684,392 -0.24,393 0.785,394 0.214,395 2.464,396 0.398,397 -0.603,398 -0.768,400 -1.524,401 -0.602,402 0.461,403 -0.037,404 2.297,405 0.067,406 -0.947,407 -1.104,409 -2,410 -0.914,411 0.425,412 -0.39,413 1.849,414 0.022,415 -1,416 -1.326,418 -2,419 -0.975,420 0.296,421 -0.739,422 1.764,423 -0.014,424 -1,425 -1.423,427 -2.668,428 -1.04,429 -0.069,430 -1.005,431 1.543,432 -0.346,433 -1.334,434 -1.6,436 -3.811,437 -1.337,438 8.8,439 0.463,440 0.58,441 0.031,442 22.5,443 1.184,444 10.5,445 0.553,446 12,447 0.632,448 14.697,449 0.774,450 20.6,451 0.624,452 16.269,453 0.856,454 4.447,455 0.234,456 4.645,457 0.244,458 0.159,460 0.455,462 0.801,463 0.979,464 0.78,465 0.859,466 0.717,467 0.807,468 0.392,469 1.163,470 0.785,471 1.112,472 0.367,473 1.053,474 0.697,475 1.129,476 0.929,477 1.082,478 0.724,479 1.07,480 0.91,481 1.018,482 0.972,483 1.018,484 0.868,485 1.004,486 1.247,487 1.044,488 1.122,489 1.101,490 1.219,491 1.083,492 1.231,493 1.053,494 1.051,495 1.085,496 1.284,497 1.041,498 1.228,499 0.94,500 1.076,501 0.968,502 1.276,503 0.993,504 2.344,505 0.356,506 1.719,507 0.445,508 2.427,509 0.852,510 3.5,512 2.667,513 1.431,514 1.484,515 1.063,516 0.458,517 0.137,520 2662,521 8593,522 2.05,523 42.4,524 3,525 6,528 4,530 1,531 1.614,532 1.869,533 2.645,534 1.986,536 1,538 1,540 53.104,541 1.609,542 3.931,543 4.718,544 4.923,545 4.923,546 4.923,547 1.871,548 3.722,549 4.223,550 2.718,551 464.786,552 7.246,553 4463.4,554 1,555 1,558 166.465,559 1.529,560 4.153,561 0.167,563 0.086,564 0.043,565 0.045,566 0.041,567 0.027,568 0.014,571 0.423,572 0.5,573 1,574 1.039,575 78.936,576 -0.139,577 0.204,578 -0.02,579 0.191,580 -0.103,581 0.135,582 0.199,583 -0.054,584 -0.001,585 -0.051,586 0.204,587 -0.071,588 0.033,589 -0.112,590 -0.04,591 -0.07,592 -0.015,593 -0.08,594 -0.045,595 -0.001,596 -0.034,597 -0.052,598 -0.063,599 -0.042,600 -0.177,601 -0.098,602 -0.133,603 -0.144,604 -0.15,605 -0.125,606 -0.123,607 -0.179,608 -0.002,609 -0.139,610 -0.121,611 -0.059,612 0.319,613 -0.104,614 0.08,615 -0.094,616 0.361,617 -0.072,618 -0.62,619 0.408,620 -0.452,621 0.371,622 -0.602,623 0.066,624 2.566,625 4.458,626 0.684,627 10.078,628 1.015,629 1.125,630 1.444,631 2.086,632 0.665,633 3.091,634 3.466,635 3.807,636 4.143,637 4.394,638 4.554,639 4.682,640 4.673,641 4.605,642 4.431,643 3.99,644 0.647,645 258.3,646 3.091,647 4.654,648 5.541,649 6.46,650 7.373,651 8.298,652 9.219,653 10.146,654 11.07,655 11.997,656 6.1,659 1,660 1,667 3,672 3,674 6,677 1,683 1,688 33,689 9,690 1,691 21,693 35,694 14,695 6,696 3,697 3,698 1,700 3,701 6,705 2,706 2,708 2,710 10,711 4,712 2,714 3,717 2,718 2,719 2,721 1,722 1,725 14,726 5,727 4,728 5,732 2,734 0.333,735 3,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,765 19,766 1,768 1,769 1,770 1,773 3,782 9.1,784 1,785 2,789 10.167,790 5.533,791 4.111,792 1.883,794 1.78,795 1.261,796 0.954,797 2.826,798 8.591,799 3.332,800 3.882,801 4.404,802 4.958,803 5.452,804 5.749,805 6.1,806 6.29,807 6.497,808 6.529,809 0.75,810 33,811 7.072,813 3.225,814 8.149,815 13.12,817 11.461,819 2.649,820 50.333,823 117.711,824 64.658,825 50.908,827 92.973,830 64.658,831 210.684,832 50.908,834 35.432,835 47.381,836 116.598,837 9.128,839 117.711,841 117.711,842 115.566,843 92.973,846 105.94,847 104.744,849 35.432,850 43.171,851 36.963,853 117.711,854 143.881,855 64.658,858 117.711,859 17.277,860 47.381,861 18.011,862 125.87,863 117.711,864 143.881,865 64.658,867 0.594,868 0.36,869 0.207,870 0.115,871 17,872 8,873 0.057,874 2,875 2,876 1.308,877 2.956,878 151.376,879 0.308,880 13,881 80.711,884 12.24,885 4.387,886 1.833,888 143.881,889 5.317,894 1.866,896 93.591,897 326.25,898 27,901 22.84,902 4.018,903 -1.447,905 33.487,906 37.116,907 0.319,908 0.779,909 0.935,910 0.976,911 0.976,912 0.976,913 4.61,914 0.844,915 5.565,916 2.745,917 4.143,918 4.564,919 2.586,920 6.466,921 4.129,922 5.818,923 0.591,924 7.183,925 2.092,926 3.892,927 4.425,928 2.243,929 7.561,930 3.872,931 7.137,932 -0.247,933 8.906,934 1.558,935 5.814,936 6.653,937 3.754,938 10.714,939 5.783,940 8.488,941 -0.603,942 10.689,943 -0.684,944 6.382,945 7.326,946 4.173,947 12.618,948 6.343,949 9.872,950 -0.947,951 12.508,952 -1.524,953 7.814,954 9.075,955 5.302,956 15.302,957 7.764,958 11.279,959 -1,960 14.352,961 -2,962 8.731,963 10.122,964 5.987,965 17.523,966 8.671,967 12.704,968 -1,969 16.213,970 -2,971 9.99,972 11.686,973 6.967,974 20.054,975 9.918,976 3.317,977 -1.334,978 18.086,979 -2.668,980 11.056,981 12.915,982 7.754,983 22.408,984 10.973,985 2.85,986 11.829,987 19.969,988 -3.811,989 12.257,990 14.401,991 8.671,992 24.888,993 12.162,994 2.481,995 9.82,996 21.859,997 4.148,998 13.389,999 15.722,1000 9.5,1001 27.3,1002 13.282,1003 2.059,1004 8.104,1005 23.754,1006 3.291,1007 14.573,1008 17.173,1009 10.389,1010 29.765,1011 14.454,1012 1.533,1013 6.102,1014 25.655,1015 2.966,1016 15.735,1017 18.541,1018 11.238,1019 32.205,1020 15.603,1021 1.383,1022 3.987,1023 27.56,1024 2.547,1025 16.917,1026 19.976,1027 12.114,1028 34.666,1029 16.773,1030 1.171,1031 3.166,1032 29.469,1033 2.077,1034 18.093,1035 21.369,1036 12.971,1037 37.119,1038 17.936,1039 2700,1040 4893,1041 13.641,1042 21.943,1043 33.085,1044 33.824,1045 34.084,1046 32.483,1047 32.458,1048 40.271,1049 8.985,1050 98.803,1051 32.223,1052 5.501,1053 5.82,1054 6.485,1055 5.348,1056 5.317,1057 7.148,1058 3.987,1059 19.522,1060 5.278,1061 10.112,1062 1.575,1063 1.611,1064 1.623,1065 1.547,1066 1.546,1067 1.918,1068 0.428,1069 4.705,1070 1.534,1071 4.073,1072 4.103,1073 4.018,1074 3.999,1075 7.474,1076 4,1077 3.748,1078 3.78,1079 3.673,1080 3.664,1081 7.437,1082 3.659,1083 3.468,1084 3.488,1085 3.402,1086 3.245,1087 6.351,1088 3.277,1089 3.325,1090 3.378,1091 3.243,1092 3.075,1093 4.904,1094 3.109,1095 2.976,1096 3.02,1097 2.873,1098 2.789,1099 4.715,1100 2.792,1101 2.811,1102 2.884,1103 2.646,1104 2.54,1105 4.393,1106 2.568,1107 2.69,1108 2.778,1109 2.517,1110 2.47,1111 4.008,1112 2.48,1113 2.423,1114 2.538,1115 2.173,1116 2.211,1117 3.531,1118 2.186,1119 0.217,1120 0.182,1121 0.332,1122 0.205,1123 0.158,1124 4.551,1125 0.198,1126 3.82,1127 0.113,1128 6.968,1129 0.563,1130 4.306,1131 0.156,1132 3.317,1133 4.148,1134 2.375,1135 11.829,1136 3.278,1137 1.981,1138 1.958,1139 2.069,1140 2.079,1141 1.385,1142 2.076,1143 1.627,1144 1.59,1145 1.813,1146 1.788,1147 1.057,1148 1.79,1149 1.51,1150 1.47,1151 1.686,1152 1.651,1153 0.832,1154 1.664,1155 1.226,1156 1.19,1157 1.41,1158 1.517,1159 0.519,1160 1.49,1161 1.085,1162 1.052,1163 1.306,1164 1.39,1165 0.205,1166 1.367,1167 0.787,1168 0.724,1169 1.006,1170 1.129,1171 0.107,1172 1.095,1173 0.639,1174 0.561,1175 0.97,1176 0.876,1178 0.912,1179 0.37,1180 0.287,1181 0.74,1182 0.745,1184 0.755,1185 3.761,1186 5.118,1187 2.398,1188 6.683,1189 4.595,1190 8.356,1191 6.629,1192 10.089,1198 5.352,1199 9.334,1200 0.731,1201 2.977,1204 -0.655,1209 21.348,1210 53.104,1211 129.736,1212 155.71,1213 162.465,1214 162.465,1215 162.465,1216 39.061,1217 6.811,1218 92.42,1219 92.42,1220 17,1221 12.501,1222 3.322,1223 2.807,1224 27.443,1225 47,1226 37,1227 0.318,1228 130.896,1229 235.31,1230 311.146,1231 6671,1233 13.569,1234 0.714,1235 0.535,1236 13.569,1237 10.167,1238 9.092,1239 0.433,1240 0.294,1241 6.11,1242 8.784,1243 6.021,1244 4.927,1245 9.092,1246 6.18,1247 8.569,1248 0.276,1249 0.16,1250 8.569,1251 4.948,1252 7.156,1253 0.163,1254 0.089,1255 7.156,1256 3.928,1257 6.38,1258 0.103,1259 0.05,1260 6.38,1261 3.071,1262 5.158,1263 0.064,1264 0.026,1265 5.158,1266 2.089,1267 0.459,1268 56.982,1269 0.271,1270 18.068,1271 1.005,1272 104,1273 313.266,1274 113.723,1275 302.028,1276 399.59,1277 278,1278 127,1279 283.12,1280 135.591,1281 285.93,1282 421.83,1283 270,1284 4.066}
{0 CHEMBL312097,1 1.578,2 7.9,3 2.043,4 4.175,5 69.752,6 9.216,7 0.545,8 3.514,9 3.579,10 3.243,11 3.132,12 4.861,13 3.154,14 3.967,15 4.045,16 3.646,17 3.513,18 5.448,19 3.525,20 4.208,21 4.329,22 3.732,23 3.592,24 5.638,25 3.613,26 4.24,27 4.367,28 3.639,29 3.457,30 5.875,31 3.492,32 4.087,33 4.231,34 3.317,35 3.253,36 5.586,37 3.265,38 3.741,39 3.878,40 3.031,41 3.069,42 5.107,43 3.032,44 3.602,45 3.76,46 2.916,47 2.925,48 4.897,49 2.889,50 3.577,51 3.734,52 2.917,53 2.593,54 5.6,55 2.611,56 0.117,57 0.359,58 3.274,59 2.406,60 21.322,61 2.205,62 0.29,63 0.58,64 5.507,65 3.79,66 43.968,67 3.813,68 0.304,69 0.732,70 9.527,71 5.137,72 54.57,73 5.207,74 0.527,75 0.743,76 11.332,77 5.091,78 92.343,79 4.529,80 0.521,81 0.612,82 11.53,83 4.612,84 102.396,85 3.866,86 0.329,87 0.44,88 6.997,89 3.336,90 56.975,91 3.278,92 0.158,93 0.387,94 5.905,95 3.087,96 29.174,97 3.524,98 0.492,99 0.348,100 7.661,101 2.952,102 109.478,103 3.537,104 18,105 32,106 0.296,107 0.527,108 0.641,109 0.744,110 0.77,111 0.77,112 3.059,113 0.805,114 -4.03,115 -3.98,116 -3.77,118 51.7,131 8,132 3,133 1,142 3,151 1,153 1,154 10,155 1,156 2,157 7,160 1,162 1,164 10,165 2,169 10,174 2,176 5,177 2,179 1,180 13,185 2,187 4,192 6,193 1,199 8,203 1,204 2,207 1,212 10,218 2,225 6,226 2,229 2,230 2,232 2,234 2,237 2,238 2,242 2,247 2,251 2,253 466,254 13.328,255 13.328,256 13.328,257 13.328,258 13.328,259 11.599,260 12.034,261 7.64,262 13.391,263 10.797,264 10.797,265 10.797,266 10.797,267 10.797,268 8.082,269 13.575,270 3.551,271 10.874,272 3.28,273 2.052,274 1.448,275 0.897,276 0.759,277 0.759,278 3.733,281 1,282 1,283 338,284 2.55,285 38.742,286 107.858,288 76.4,291 1.22,292 34.126,295 1,296 1,297 1,298 0.4,300 1,301 1,302 0.77,303 44.5,304 158,305 4.63,306 3.982,307 7.076,308 4.338,309 3.355,310 4.182,311 1.437,312 12.122,313 3.297,314 4.16,315 3.575,316 6.09,317 3.774,318 2.775,319 3.755,320 1.349,321 8.695,322 2.764,323 3.809,324 3.256,325 5.895,326 3.451,327 2.473,328 3.175,329 0.8,330 8.052,331 2.407,332 3.441,333 2.687,334 5.491,335 3.066,336 2.026,337 2.65,339 6.426,340 2.093,341 3.271,342 2.308,343 4.869,344 2.802,345 1.799,346 2.535,348 5,349 1.794,350 2.819,351 1.936,352 3.798,353 2.342,354 1.345,355 1.893,357 3.018,358 1.331,359 2.623,360 1.35,361 3.621,362 2.113,363 1.106,364 1.595,365 2.712,366 1.1,367 2.5,368 1.261,369 3.618,370 2,371 1,372 1.5,373 2.275,374 1,375 2.48,376 1.053,377 3.414,378 1.942,379 0.914,380 1.387,382 2.21,383 0.934,384 1.559,385 1,386 2.979,387 1.055,393 0.926,394 0.444,395 2.343,396 0.463,397 -0.585,398 -0.833,400 -1.379,401 -0.606,402 0.812,403 -0.03,404 2.199,405 0.35,406 -0.673,407 -0.897,409 -1.609,410 -0.673,411 0.603,412 -0.353,413 2,414 0.126,415 -0.889,416 -1.321,418 -2,419 -0.903,420 0.5,421 -0.821,422 2,424 -1,425 -1.395,427 -2.127,428 -0.975,429 0.421,430 -0.948,431 1.769,432 -0.013,433 -1,434 -1.5,436 -3,437 -1,438 9.233,439 0.462,440 0.58,441 0.029,442 29.75,443 1.488,444 17,445 0.85,446 12.75,447 0.638,448 10.873,449 0.544,450 20.167,451 0.695,452 21.638,453 1.082,454 6.156,455 0.308,456 3.436,457 0.172,458 0.144,460 0.422,462 0.678,463 1.033,464 0.616,465 0.845,466 0.632,467 0.746,468 0.406,469 1.064,470 0.659,471 0.951,472 0.491,473 0.916,474 0.834,475 1.172,476 0.791,477 1.093,478 0.801,479 0.968,480 1.23,481 1.097,482 1.11,483 1.06,484 1.113,485 1.034,486 1.605,487 0.807,488 1.354,489 0.836,490 1.621,491 0.954,492 0.959,493 0.794,494 1.236,495 0.923,496 1.181,497 1.12,498 0.656,499 1.135,500 0.946,501 1.275,502 0.683,503 1.233,504 0.452,505 0.896,506 0.713,507 1.012,508 0.473,509 0.979,510 3.5,511 0.04,512 2.889,513 2.611,514 1.209,515 0.677,516 0.256,517 0.272,518 0.171,519 0.055,520 3491,521 12960,522 2.048,523 31,525 8,528 1,531 1.619,532 1.875,533 2.962,534 -0.271,536 1,537 1,538 1,540 45.749,541 1.578,542 2.806,543 3.41,544 3.961,545 4.099,546 4.099,547 2.466,548 3.522,549 4.291,550 3.107,551 590.239,552 7.34,553 5820.73,554 1,555 1,557 1,558 140.881,559 1.522,560 4.231,561 0.159,562 0.01,563 0.09,564 0.077,565 0.042,566 0.032,567 0.016,568 0.019,569 0.014,570 0.009,571 0.469,572 0.67,573 1,574 0.897,575 87.047,576 -0.078,577 -0.047,578 -0.006,579 0.049,580 -0.091,581 0.046,582 0.234,583 -0.051,584 0.009,585 -0.059,586 0.105,587 -0.103,588 -0.06,589 -0.189,590 0.07,591 -0.156,592 -0.025,593 -0.039,594 -0.144,595 -0.091,596 -0.131,597 -0.12,598 -0.016,599 -0.112,600 -0.39,601 0.153,602 -0.273,603 0.152,604 -0.334,605 0.036,606 -0.051,607 0.159,608 -0.277,609 0.056,610 -0.231,611 -0.134,612 0.036,613 -0.22,614 0.035,615 -0.28,616 -0.02,617 -0.165,618 0.828,619 0.004,620 0.54,621 0.028,622 0.819,623 0.138,624 2.723,625 5.215,626 0.75,627 13.5,628 1.033,629 1.103,630 2.801,631 7.848,632 0.72,633 3.135,634 3.497,635 3.829,636 4.111,637 4.304,638 4.357,639 4.5,640 4.543,641 4.454,642 4.419,643 4.791,644 0.724,645 267.25,646 3.135,647 4.691,648 5.572,649 6.475,650 7.376,651 8.287,652 9.195,653 10.11,654 11.023,655 11.941,656 3.4,660 1,667 8,672 4,674 12,680 1,688 29,689 15,690 2,691 22,693 31,694 15,695 12,696 4,697 8,698 3,700 3,701 4,710 15,714 3,717 3,719 3,722 1,725 9,726 5,727 1,728 5,732 1,733 1,734 0.667,735 4,743 1,744 2,746 1,755 1,757 2,765 20,768 1,774 1,782 13.8,784 1,785 3,789 10.667,790 5.317,791 4.361,792 1.631,794 2.53,795 1.374,796 0.976,797 2.792,798 9.291,799 3.466,800 4.06,801 4.663,802 5.227,803 5.726,804 5.908,805 6.312,806 6.574,807 6.765,808 7.007,809 1,810 34,811 7.417,813 3.351,814 8.333,815 13.328,817 11.024,819 2.833,820 56.667,823 94.169,824 98.443,825 3.124,827 118.118,830 98.443,831 212.287,832 3.124,834 3.124,835 75.81,836 128.437,837 12.313,839 94.169,841 94.169,842 101.567,843 118.118,846 94.169,847 118.118,849 3.124,850 98.443,853 94.169,854 121.242,855 98.443,858 94.169,859 22.633,860 78.934,862 118.118,863 94.169,864 121.242,865 98.443,867 0.593,868 0.365,869 0.197,870 0.102,871 17,872 8,873 0.065,874 2,875 1,876 1.133,877 3.143,878 156.338,879 0.133,880 15,881 72.439,884 12.425,885 4.494,886 1.897,888 121.242,889 12.211,894 1.186,896 42.683,897 313.854,898 31,901 35.224,903 -1.846,905 29.945,906 31.997,907 0.325,908 0.578,909 0.702,910 0.815,911 0.844,912 0.844,913 4.71,914 1,915 5.587,916 2.712,917 4.174,918 4.745,919 2.295,920 6.469,921 4.16,922 5.936,923 0.914,924 7.198,925 2.275,926 3.892,927 4.575,928 0.325,929 7.535,930 3.861,931 7.259,933 8.914,934 2.21,935 5.832,936 6.918,937 2.78,938 10.686,939 5.789,940 8.619,941 -0.585,942 10.69,944 6.382,945 7.544,946 0.931,947 12.601,948 6.316,949 10.012,950 -0.673,951 12.504,952 -1.379,953 7.829,954 9.383,955 3.353,956 15.295,957 7.749,958 11.429,959 -0.889,960 14.345,961 -1.609,962 8.746,963 10.383,964 1.621,965 17.555,966 8.643,967 12.866,968 -1,969 16.205,970 -2,971 10.018,972 12.005,973 3.977,974 20.107,975 9.9,976 3.355,977 -1,978 18.08,979 -2.127,980 11.096,981 13.197,982 2.316,983 22.508,984 10.955,985 2.775,986 12.122,987 19.967,988 -3,989 12.31,990 14.715,991 4.632,992 25.018,993 12.152,994 2.473,995 8.695,996 21.865,997 4.182,998 13.456,999 16.008,1000 2.996,1001 27.474,1002 13.278,1003 2.026,1004 8.052,1005 23.771,1006 3.755,1007 14.655,1008 17.475,1009 5.305,1010 29.972,1011 14.46,1012 1.799,1013 6.426,1014 25.685,1015 3.175,1016 15.833,1017 18.824,1018 3.659,1019 32.451,1020 15.617,1021 1.345,1022 5,1023 27.604,1024 2.65,1025 17.031,1026 20.266,1027 5.99,1028 34.946,1029 16.797,1030 1.106,1031 3.018,1032 29.53,1033 2.535,1034 18.223,1035 21.646,1036 4.307,1037 37.434,1038 17.97,1039 3469,1040 6759,1041 14.334,1042 20.869,1043 34.399,1044 36.445,1045 35.523,1046 33.673,1047 33.588,1048 45.344,1049 7.171,1050 101.021,1051 33.437,1052 5.469,1053 5.982,1054 6.755,1055 5.352,1056 5.355,1057 7.182,1058 2.873,1059 19.618,1060 5.297,1061 10.621,1062 1.564,1063 1.657,1064 1.615,1065 1.531,1066 1.527,1067 2.061,1068 0.326,1069 4.592,1070 1.52,1071 4.048,1072 4.066,1073 4.018,1074 3.956,1075 7.475,1076 3.967,1077 3.868,1078 3.886,1079 3.817,1080 3.808,1081 7.446,1082 3.806,1083 3.423,1084 3.441,1085 3.377,1086 3.222,1087 7.408,1088 3.256,1089 3.197,1090 3.185,1091 3.144,1092 2.944,1093 6.351,1094 2.989,1095 3.014,1096 3.021,1097 2.973,1098 2.843,1099 4.722,1100 2.858,1101 2.854,1102 2.925,1103 2.687,1104 2.735,1105 4.647,1106 2.715,1107 2.609,1108 2.624,1109 2.491,1110 2.348,1111 3.761,1112 2.387,1113 2.581,1114 2.618,1115 2.486,1116 2.302,1117 3.674,1118 2.36,1119 0.21,1120 0.181,1121 0.322,1122 0.197,1123 0.153,1124 4.63,1125 0.19,1126 3.982,1127 0.065,1128 7.076,1129 0.551,1130 4.338,1131 0.15,1132 3.355,1133 4.182,1134 1.437,1135 12.122,1136 3.297,1137 1.905,1138 1.884,1139 1.998,1140 2.004,1141 1.095,1142 2.001,1143 1.887,1144 1.868,1145 1.986,1146 1.959,1147 1.085,1148 1.968,1149 1.327,1150 1.318,1151 1.371,1152 1.598,1153 0.401,1154 1.522,1155 1.015,1156 1.019,1157 1.181,1158 1.337,1159 0.218,1160 1.263,1161 1.007,1162 0.994,1163 1.157,1164 1.198,1165 0.211,1166 1.168,1167 0.886,1168 0.821,1169 1.133,1170 1.062,1171 0.174,1172 1.107,1173 0.726,1174 0.672,1175 0.96,1176 0.957,1178 0.985,1179 0.39,1180 0.359,1181 0.7,1182 0.705,1184 0.706,1185 3.807,1186 5.153,1187 2.398,1188 6.708,1189 4.949,1190 8.352,1191 7.209,1192 10.041,1199 8.84,1205 1.052,1209 20.988,1210 45.749,1211 81.372,1212 98.881,1213 114.881,1214 118.881,1215 118.881,1216 43.157,1217 6.76,1218 76.37,1219 76.37,1220 17,1221 12.452,1222 4,1223 3.322,1224 29.934,1225 56,1226 58,1227 0.27,1228 128.908,1229 231.58,1230 306.296,1231 6492,1233 14.276,1234 0.714,1235 0.512,1236 14.276,1237 10.238,1238 9.592,1239 0.436,1240 0.268,1241 5.826,1242 9.236,1243 5.735,1244 4.726,1245 9.592,1246 5.906,1247 8.827,1248 0.276,1249 0.136,1250 8.827,1251 4.343,1252 7.743,1253 0.172,1254 0.07,1255 7.743,1256 3.167,1257 6.599,1258 0.11,1259 0.036,1260 6.599,1261 2.177,1262 5.073,1263 0.069,1264 0.019,1265 5.073,1266 1.421,1267 0.408,1268 60.363,1269 0.264,1270 19.535,1271 0.788,1272 108,1273 389.001,1274 119.938,1275 371.534,1276 492.32,1277 342,1278 131,1279 351.165,1280 142.47,1281 353.917,1282 524.19,1283 333,1284 4}
{0 CHEMBL470334,1 1.836,2 15,3 3.114,4 9.694,5 142.218,6 9.122,7 0.524,8 4.253,9 4.352,10 3.972,11 3.767,12 5.471,13 3.785,14 4.78,15 4.911,16 4.385,17 4.175,18 5.956,19 4.176,20 5.054,21 5.211,22 4.573,23 4.303,24 6.35,25 4.278,26 5.129,27 5.337,28 4.375,29 4.24,30 6.285,31 4.203,32 5.07,33 5.275,34 4.34,35 4.192,36 6.219,37 4.168,38 5.062,39 5.247,40 4.37,41 4.242,42 6.253,43 4.222,44 5.149,45 5.35,46 4.415,47 4.291,48 6.362,49 4.26,50 5.122,51 5.321,52 4.424,53 4.297,54 6.314,55 4.251,56 0.247,57 0.926,58 8.889,59 4.941,60 32.627,61 5.362,62 0.662,63 1.453,64 18.901,65 8.714,66 57.478,67 9.48,68 1.223,69 1.736,70 35.349,71 11.778,72 113.548,73 13.515,74 1.3,75 1.805,76 39.497,77 12.088,78 115.243,79 14.642,80 1.226,81 1.712,82 37.528,83 11.303,84 110.32,85 13.809,86 1.084,87 1.745,88 33.431,89 10.829,90 103.885,91 12.741,92 1.253,93 1.835,94 37.514,95 12.244,96 130.394,97 14.835,98 1.055,99 1.751,100 36.869,101 13.129,102 113.733,103 15.961,104 38,105 60,106 0.292,107 0.675,108 0.821,109 0.884,110 0.902,111 0.902,112 3.668,113 0.883,114 -4.13,115 -4.07,116 -3.85,118 41,123 3,124 3,125 1,131 7,132 3,133 2,134 1,135 1,136 1,142 1,145 1,146 1,147 1,148 1,149 1,154 9,156 4,157 2,159 1,160 3,162 1,164 10,168 3,169 4,171 1,172 4,173 1,174 2,176 9,179 3,180 6,182 2,183 6,185 1,187 2,191 1,192 7,194 4,195 2,196 1,198 1,203 1,204 6,206 1,207 3,208 1,209 2,216 3,217 10,220 2,221 1,222 5,224 1,228 1,230 9,232 1,233 1,234 9,236 1,239 2,241 1,242 8,244 1,245 1,247 8,252 1,253 3294,254 25.662,255 25.662,256 25.662,257 25.662,258 25.662,259 22.84,260 30.894,261 14.796,262 26.535,263 20.595,264 20.595,265 20.595,266 20.595,267 20.595,268 16.279,269 39.034,270 6.919,271 22.259,272 4.095,273 1.691,274 0.773,275 0.373,276 0.262,277 0.262,278 4.37,279 2,283 1238,284 3.606,285 186.864,286 364.378,288 169.336,291 2.316,292 55.77,295 0.5,296 0.67,297 0.67,298 0.6,299 0.5,300 0.5,301 0.5,302 0.56,303 84.167,304 570,305 4.724,306 4.057,307 7.076,308 4.291,309 3.37,310 4.664,311 2.035,312 12.226,313 3.101,314 4.215,315 3.623,316 6.551,317 3.96,318 3.026,319 3.869,320 1.151,321 10.191,322 2.819,323 4.146,324 3.321,325 6.021,326 3.741,327 2.829,328 3.689,329 1.041,330 8.362,331 2.632,332 4.1,333 3.215,334 5.95,335 3.643,336 2.65,337 3.415,338 0.657,339 8.296,340 2.585,341 3.79,342 2.864,343 5.481,344 3.423,345 2.498,346 3.004,348 7.337,349 2.3,350 3.66,351 2.704,352 5.367,353 3.185,354 2.234,355 2.886,357 6.561,358 2.157,359 3.519,360 2.599,361 5.216,362 3.145,363 2.197,364 2.823,365 6.285,366 1.943,367 3.271,368 2.407,369 5.107,370 2.91,371 1.984,372 2.579,373 6.167,374 1.812,375 3.062,376 2.258,377 5.073,378 2.752,379 1.838,380 2.142,382 5.63,383 1.672,384 2.965,385 2.157,386 4.761,387 2.482,388 1.594,389 2.001,391 4.679,392 1.406,393 2.881,394 2.113,395 4.19,396 2.317,397 1.414,398 1.948,400 3.528,401 1.275,402 2.82,403 1.899,404 4.043,405 2.305,406 1.406,407 1.673,409 3.491,410 1.198,411 2.655,412 1.758,413 3.714,414 2,415 1.138,416 1.5,418 2.542,419 1,420 2.5,421 1.447,422 3.502,423 1.993,424 1,425 1.274,427 2.275,428 0.965,429 2.173,430 1.149,431 3.414,432 1.697,433 0.807,434 1.002,436 2.205,437 0.713,438 18.062,439 0.475,440 0.993,441 0.026,442 50.25,443 1.322,444 24,445 0.632,446 26.25,447 0.691,448 35.512,449 0.935,450 40.738,451 0.668,452 42.588,453 1.121,454 9.954,455 0.262,456 8.396,457 0.221,458 0.16,460 0.382,462 0.953,463 1.325,464 0.584,465 0.916,466 0.893,467 0.81,468 1.059,469 0.963,470 0.71,471 0.86,472 0.82,473 0.867,474 0.963,475 1.214,476 0.847,477 1.061,478 0.836,479 1.061,480 1.118,481 0.948,482 0.911,483 0.916,484 1.029,485 0.979,486 1.085,487 0.969,488 0.845,489 0.899,490 0.903,491 0.923,492 1.151,493 1.033,494 0.917,495 1.008,496 0.977,497 1.036,498 1.084,499 0.92,500 0.782,501 0.915,502 1.052,503 0.969,504 1.051,505 1.05,506 0.733,507 0.978,508 1.003,509 0.983,510 7.5,511 0.378,512 4.889,513 3.181,514 2.394,515 1.397,516 1.07,517 0.794,518 0.609,519 0.504,520 23408,521 81200,522 2.081,523 37.7,525 16,526 1,527 1,528 5,531 1.79,532 1.932,533 3.792,534 2.292,540 111.985,541 1.836,542 4.24,543 5.158,544 5.558,545 5.668,546 5.668,547 3.367,548 5.037,549 5.21,550 3.991,551 2805.8,552 9.199,553 46963.1,558 361.775,559 1.462,560 5.171,561 0.179,562 0.008,563 0.081,564 0.05,565 0.044,566 0.025,567 0.019,568 0.014,569 0.011,570 0.01,571 0.441,572 0.17,573 0.63,574 0.697,575 211.575,576 -0.163,577 -0.14,578 -0.006,579 0.009,580 -0.15,581 0.041,582 -0.083,583 0.147,584 -0.017,585 0.069,586 -0.102,587 0.008,588 0.134,589 -0.205,590 0.038,591 -0.1,592 0.111,593 -0.132,594 -0.035,595 0.036,596 -0.049,597 0.009,598 -0.076,599 -0.025,600 -0.008,601 0.014,602 -0.011,603 0.025,604 -0.001,605 0.033,606 -0.104,608 -0.131,609 -0.096,610 -0.064,611 -0.117,612 -0.027,613 0.066,614 -0.01,615 0.008,616 -0.018,617 -0.014,618 -0.041,619 -0.112,620 0.084,621 -0.005,623 0.022,624 2.641,625 4.935,626 0.684,627 52.019,628 1.027,629 1.13,630 2.897,631 8.394,632 0.696,633 3.761,634 4.111,635 4.419,636 4.682,637 4.927,638 5.05,639 5.198,640 5.371,641 5.497,642 5.624,643 8.421,644 0.679,645 556.45,646 3.761,647 5.323,648 6.192,649 7.083,650 7.972,651 8.871,652 9.771,653 10.678,654 11.585,655 12.497,656 11.5,658 1,659 1,661 1,662 1,663 3,666 2,667 8,668 3,672 7,673 1,674 22,675 1,682 1,683 1,687 2,688 61,689 23,690 2,691 42,693 65,694 25,695 17,696 5,697 7,700 5,701 6,702 2,705 3,708 3,709 1,710 17,711 7,725 23,726 10,727 5,728 13,729 2,731 1,732 7,734 0.8,735 4,737 2,739 1,742 1,743 2,744 3,746 1,755 2,756 2,757 4,762 2,765 38,766 1,768 2,769 3,770 1,771 2,773 4,776 1,778 1,780 1,781 2,782 6.6,783 2,786 2,789 19.667,790 10.602,791 8.333,792 3.303,794 4.173,795 1.486,796 0.945,797 7.978,798 12.753,799 4.025,800 4.627,801 5.233,802 5.798,803 6.317,804 6.584,805 6.9,806 7.263,807 7.476,808 7.803,809 1,810 63,811 14.11,813 6.273,814 7.975,815 26.026,817 21.629,819 2.475,820 94.056,823 211.88,824 127.489,825 134.223,826 78.297,827 107.366,830 127.489,831 397.544,832 134.223,834 11.29,835 184.598,836 120.455,837 62.178,838 14.099,839 188.338,840 78.297,841 211.88,842 261.712,843 107.366,844 78.297,846 211.88,848 107.366,849 58.626,850 134.719,851 146.665,853 211.88,854 241.589,855 205.786,858 211.88,859 35.935,860 76.851,861 34.612,862 299.977,863 211.88,864 241.589,865 205.786,867 0.588,868 0.355,869 0.183,870 0.101,871 29,872 14,873 0.123,874 8,875 1,876 1.077,877 4.767,878 378.19,879 0.077,880 26,881 195.421,884 26.601,885 11.396,886 5.584,887 0.638,888 239.69,889 13.487,890 12.818,894 3.546,895 1.541,896 136.275,897 659.256,898 55,905 62.622,906 68.951,907 0.31,908 0.715,909 0.87,910 0.937,911 0.956,912 0.956,913 5.291,914 1.984,915 6.192,916 6.285,917 4.796,918 5.316,919 2.705,920 7.034,921 4.643,922 6.508,923 1.838,924 7.776,925 6.167,926 4.443,927 5.156,929 8.001,930 4.196,931 7.824,932 1.594,933 9.459,934 5.63,935 6.425,936 7.531,937 3.726,938 11.13,939 6.143,940 9.174,941 1.414,942 11.201,943 4.679,944 6.899,945 8.222,947 12.96,948 6.514,949 10.557,950 1.406,951 12.98,952 3.528,953 8.356,954 10.079,955 5.012,956 15.637,957 7.934,958 11.964,959 1.138,960 14.788,961 3.491,962 9.207,963 11.182,965 17.842,966 8.68,967 13.39,968 1,969 16.617,970 2.542,971 10.472,972 12.834,973 6.393,974 20.38,975 9.894,976 3.37,977 0.807,978 18.464,979 2.275,980 11.501,981 14.149,983 22.75,984 10.82,985 3.026,986 12.226,987 20.325,988 2.205,989 12.699,990 15.717,991 7.802,992 25.248,993 11.954,994 2.829,995 10.191,996 22.198,997 4.664,998 13.81,999 17.14,1001 27.687,1002 12.968,1003 2.65,1004 8.362,1005 24.083,1006 3.869,1007 14.991,1008 18.677,1009 9.219,1010 30.177,1011 14.073,1012 2.498,1013 8.296,1014 25.976,1015 3.689,1016 16.142,1017 20.155,1019 32.647,1020 15.131,1021 2.234,1022 7.337,1023 27.877,1024 3.415,1025 17.323,1026 21.684,1027 10.638,1028 35.138,1029 16.231,1030 2.197,1031 6.561,1032 29.785,1033 3.004,1034 18.495,1035 23.19,1037 37.622,1038 17.312,1039 22131,1040 41380,1041 27.857,1042 42.426,1043 64.595,1044 67.65,1045 66.2,1046 63.179,1047 63.069,1048 81.155,1049 9.768,1050 186.042,1051 57.888,1052 5.682,1053 6.057,1054 6.645,1055 5.411,1056 5.37,1057 7.664,1058 4.069,1059 19.954,1060 5.101,1061 20.948,1062 1.538,1063 1.611,1064 1.576,1065 1.504,1066 1.502,1067 1.932,1068 0.233,1069 4.43,1070 1.378,1071 4.123,1072 4.174,1073 4.135,1074 3.94,1075 6.82,1076 3.969,1077 3.937,1078 3.963,1079 4.077,1080 3.868,1081 6.495,1082 3.869,1083 3.909,1084 3.929,1085 3.878,1086 3.855,1087 6.4,1088 3.852,1089 3.794,1090 3.818,1091 3.72,1092 3.603,1093 5.268,1094 3.627,1095 3.443,1096 3.514,1097 3.459,1098 3.218,1099 5.04,1100 3.242,1101 3.372,1102 3.415,1103 3.396,1104 3.178,1105 4.855,1106 3.194,1107 3.193,1108 3.259,1109 3.32,1110 3.021,1111 4.749,1112 3.028,1113 3.11,1114 3.166,1115 3.241,1116 2.885,1117 4.574,1118 2.907,1119 0.112,1120 0.097,1121 0.168,1122 0.102,1123 0.08,1124 4.724,1125 0.111,1126 4.057,1127 0.048,1128 7.076,1129 0.291,1130 4.291,1131 0.074,1132 3.37,1133 4.664,1134 2.035,1135 12.226,1136 3.101,1137 1.921,1138 1.897,1139 2.027,1140 2.015,1141 1.184,1142 2.012,1143 1.901,1144 1.882,1145 1.978,1146 2.004,1147 1.154,1148 1.995,1149 1.797,1150 1.751,1151 1.847,1152 1.974,1153 1.13,1154 1.96,1155 1.607,1156 1.571,1157 1.782,1158 1.824,1159 0.993,1160 1.808,1161 1.53,1162 1.484,1163 1.658,1164 1.791,1165 0.757,1166 1.759,1167 1.306,1168 1.259,1169 1.503,1170 1.565,1171 0.673,1172 1.548,1173 1.228,1174 1.182,1175 1.422,1176 1.445,1177 0.596,1178 1.436,1179 1.031,1180 0.977,1181 1.235,1182 1.306,1183 0.373,1184 1.294,1185 4.443,1186 5.784,1187 3.045,1188 7.314,1189 5.533,1190 8.929,1191 7.727,1192 10.591,1195 12.159,1198 6.032,1199 21.679,1200 0.577,1201 3.194,1202 11.792,1204 -4.407,1207 8.933,1208 2.065,1209 41.405,1210 111.985,1211 258.64,1212 314.614,1213 339.02,1214 345.775,1215 345.775,1216 85.07,1217 8.58,1218 164.36,1219 164.36,1220 28,1221 13.013,1222 4.585,1223 3.807,1224 59.004,1225 182,1226 250,1227 0.15,1228 258.694,1229 446.56,1230 622.973,1231 75193,1232 3.3,1233 26.811,1234 0.706,1235 0.562,1236 27.811,1237 21.342,1238 18.351,1239 0.437,1240 0.294,1241 11.445,1242 16.998,1243 11.223,1244 9.159,1245 18.928,1246 12.356,1247 16.624,1248 0.277,1249 0.159,1250 17.365,1251 9.523,1252 14.792,1253 0.18,1254 0.084,1255 15.707,1256 6.905,1257 11.699,1258 0.109,1259 0.042,1260 12.1,1261 4.492,1262 9.588,1263 0.07,1264 0.022,1265 9.968,1266 3.06,1267 0.238,1268 122.338,1269 0.189,1270 34.607,1271 0.407,1272 204,1273 668.048,1274 258.793,1275 698.198,1276 922.41,1277 650,1278 244,1279 617.925,1280 298.449,1281 642.496,1282 951.22,1283 603,1284 4.983}
{0 CHEMBL471004,1 1.452,2 7.517,3 1.749,4 3.057,5 105.798,6 8.391,7 0.182,8 4.004,9 4.068,10 3.645,11 3.574,12 5.266,13 3.588,14 4.533,15 4.623,16 4.116,17 4.06,18 5.793,19 4.055,20 4.908,21 5.041,22 4.288,23 4.241,24 6.24,25 4.219,26 5.013,27 5.167,28 4.277,29 4.265,30 6.264,31 4.24,32 4.999,33 5.159,34 4.294,35 4.304,36 6.196,37 4.277,38 5.045,39 5.181,40 4.357,41 4.31,42 6.372,43 4.298,44 5.085,45 5.238,46 4.261,47 4.141,48 6.555,49 4.137,50 4.91,51 5.1,52 3.802,53 3.685,54 6.504,55 3.668,56 0.214,57 0.582,58 7.946,59 4.728,60 37.054,61 4.673,62 0.325,63 1.009,64 13.861,65 8.344,66 64.285,67 9.135,68 0.862,69 1.417,70 24.881,71 11.783,72 139.229,73 13.497,74 0.992,75 1.548,76 30.344,77 12.854,78 143.468,79 14.462,80 0.76,81 1.556,82 29.505,83 13.008,84 120.341,85 14.952,86 0.852,87 1.603,88 29.136,89 13.225,90 143.65,91 14.439,92 1.305,93 1.594,94 34.038,95 13.074,96 197.703,97 14.285,98 1.543,99 1.271,100 33.89,101 10.412,102 259.361,103 11.477,104 51,105 52,106 0.246,107 0.658,108 0.822,109 0.894,110 0.916,111 0.923,112 3.411,113 0.85,114 -2.93,115 -2.93,116 -2.83,118 46.8,119 1,121 5,128 4,129 2,130 2,131 2,132 1,133 3,140 1,142 1,151 1,153 1,154 16,155 1,157 4,160 1,162 2,164 22,165 2,169 6,172 3,173 1,174 7,176 19,177 4,179 1,180 8,183 1,185 9,187 17,188 4,192 7,196 9,199 16,200 2,204 7,205 1,208 1,209 10,212 11,213 2,216 1,217 7,220 2,221 1,222 13,223 2,225 4,230 4,231 1,232 3,233 2,234 8,235 1,241 1,242 2,245 2,246 1,247 2,253 1250,254 19.19,255 19.19,256 19.19,257 19.19,258 19.19,259 17.278,260 19.089,261 10.501,262 19.345,263 16.176,264 16.176,265 16.176,266 16.176,267 16.176,268 13.14,269 20.238,270 4.884,271 16.5,272 4.103,273 1.665,274 0.697,275 0.271,276 0.144,277 0.101,278 4.11,281 1,282 1,283 478,284 3.162,285 104.159,286 220.942,289 176.971,291 0.946,292 57.873,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 65,304 218,305 4.762,306 3.888,307 7.337,308 4.505,309 3.512,310 4.371,311 2.341,312 13.243,313 3.492,314 4.419,315 3.656,316 6.898,317 4.206,318 3.23,319 3.907,320 0.86,321 11.508,322 3.148,323 4.325,324 3.438,325 6.497,326 3.904,327 2.93,328 3.591,330 9.955,331 2.851,332 3.933,333 3.266,334 6.214,335 3.58,336 2.596,337 3.241,339 8.927,340 2.543,341 3.602,342 2.958,343 5.885,344 3.369,345 2.366,346 2.74,348 7.716,349 2.358,350 3.378,351 2.659,352 5.57,353 3.032,354 2.046,355 2.626,357 6.724,358 2.02,359 3.351,360 2.324,361 5.479,362 2.984,363 2.014,364 2.498,365 6.534,366 1.934,367 3.032,368 2.106,369 5.086,370 2.752,371 1.774,372 2.171,373 5.532,374 1.72,375 2.945,376 1.869,377 4.496,378 2.519,379 1.547,380 1.966,382 4.144,383 1.494,384 2.655,385 1.808,386 4.44,387 2.363,388 1.361,389 1.568,391 3.679,392 1.348,393 2.588,394 1.489,395 3.952,396 2.141,397 1.143,398 1.492,400 2.796,401 1.141,402 2.284,403 1.331,404 3.741,405 1.83,406 0.882,407 1.077,409 2.346,410 0.825,411 1.857,412 1.069,413 3.352,414 1.382,415 0.444,416 0.543,418 1.1,419 0.407,420 1.488,421 0.824,422 2.968,423 1.117,424 0.177,425 0.22,427 0.391,428 0.162,429 1.101,430 0.55,431 2.871,432 0.816,433 -0.17,434 -0.198,436 -0.47,437 -0.165,438 13.333,439 0.46,440 1.037,441 0.036,442 34.5,443 1.19,444 16,445 0.552,446 18.5,447 0.638,448 28.664,449 0.988,450 31.067,451 0.661,452 30.364,453 1.047,454 6.564,455 0.226,456 7.243,457 0.25,458 0.188,460 0.563,462 0.869,463 0.849,464 0.733,465 0.83,466 0.821,467 0.759,468 0.536,469 1.06,470 0.67,471 1.053,472 0.474,473 0.94,474 0.629,475 1.066,476 0.832,477 1.073,478 0.619,479 1.032,480 0.918,481 0.976,482 0.957,483 0.978,484 0.884,485 0.98,486 0.846,487 0.949,488 0.859,489 0.945,490 0.805,491 0.916,492 0.961,493 1.177,494 0.992,495 1.171,496 0.958,497 1.11,498 1.133,499 1.219,500 1.111,501 1.212,502 1.148,503 1.168,504 1.418,505 1.014,506 1.296,507 1.017,508 1.418,509 1.093,510 5.5,512 4.667,513 3.201,514 2.967,515 1.723,516 1.397,517 1.049,518 0.489,519 0.031,520 8551,521 28034,522 2.087,523 38.3,524 7,525 6,528 4,529 1,531 1.734,532 1.871,533 2.898,534 1.629,535 1,536 1,540 68.248,541 1.452,542 3.889,543 4.858,544 5.283,545 5.411,546 5.453,547 2.1,548 4.142,549 4.834,550 3.035,551 1232.24,552 8.494,553 15655.3,555 1,557 1,558 261.066,559 1.482,560 4.752,561 0.167,563 0.09,564 0.055,565 0.052,566 0.029,567 0.023,568 0.021,569 0.018,570 0.004,571 0.458,572 0.33,573 0.88,574 0.83,575 140.005,576 -0.138,577 0.195,578 -0.028,579 0.194,580 -0.126,581 0.137,582 0.07,583 -0.028,584 0.058,585 -0.024,586 0.101,587 0.004,588 0.158,589 -0.066,590 0.043,591 -0.072,592 0.123,593 -0.057,594 -0.031,595 0.011,596 -0.017,597 0.011,598 -0.062,599 0.004,600 -0.072,601 0.044,602 0.057,603 0.057,604 -0.056,605 0.089,606 -0.071,607 -0.186,608 -0.087,609 -0.183,610 -0.077,611 -0.15,612 -0.003,613 -0.255,614 -0.088,615 -0.255,616 -0.037,617 -0.213,618 -0.033,619 -0.081,620 -0.111,621 -0.09,622 0.014,623 -0.118,624 2.589,625 5.189,626 0.724,627 19.624,628 1.026,629 1.111,630 1.698,631 2.884,632 0.682,633 3.526,634 3.97,635 4.382,636 4.762,637 5.106,638 5.342,639 5.568,640 5.765,641 5.938,642 5.974,643 5.012,644 0.675,645 394.4,646 3.526,647 5.142,648 6.071,649 7.022,650 7.973,651 8.933,652 9.892,653 10.854,654 11.817,655 12.781,667 2,672 4,674 6,685 2,686 1,688 47,689 12,690 1,691 33,693 51,694 22,695 6,696 4,697 2,698 7,700 5,701 9,704 1,706 5,710 16,711 6,712 5,714 6,717 2,718 4,719 6,722 1,725 18,726 7,727 4,728 7,734 0.4,735 7,743 2,744 4,747 2,749 1,751 1,752 6,753 2,755 2,757 2,761 1,765 29,768 4,771 1,773 5,782 14.9,784 4,785 2,787 1,789 15.5,790 8.467,791 6.083,792 2.811,794 2.714,795 1.324,796 0.914,797 3.906,798 11.097,799 3.761,800 4.388,801 5.002,802 5.585,803 6.178,804 6.626,805 7.08,806 7.509,807 7.902,808 8.122,809 0.8,810 58,811 10.945,813 5.31,814 8.218,815 19.949,817 18.098,819 2.718,820 78.833,823 164.795,824 91.77,827 232.023,830 91.77,831 396.819,833 8.825,835 56.857,836 232.31,837 25.8,839 164.795,841 164.795,842 91.77,843 232.023,846 164.795,847 232.023,849 8.825,850 39.796,851 43.148,853 164.795,854 232.023,855 91.77,858 164.795,859 26.087,860 65.683,862 232.023,863 164.795,864 232.023,865 91.77,867 0.614,868 0.388,869 0.216,870 0.127,871 30,872 15,873 0.039,874 2,875 4,876 1.333,877 3.663,878 301.94,879 0.381,880 20,881 140.881,884 18.372,885 6.165,886 2.368,888 232.023,889 2.872,894 -0.604,896 170.733,897 488.588,898 42,901 24.167,902 6.687,903 -1.32,905 48.244,906 52.203,907 0.261,908 0.7,909 0.875,910 0.951,911 0.974,912 0.982,913 5.097,914 1.774,915 6.125,916 6.534,917 4.654,918 5.075,919 2.402,920 7.086,921 4.615,922 6.346,923 1.547,924 7.784,925 5.532,926 4.511,927 5.056,928 2.243,929 8.253,930 4.454,931 7.703,932 1.361,933 9.541,934 4.144,935 6.399,936 7.26,937 3.657,938 11.451,939 6.331,940 9.091,941 1.143,942 11.352,943 3.679,944 7.048,945 8.023,946 4.112,947 13.43,948 6.963,949 10.511,950 0.882,951 13.197,952 2.796,953 8.473,954 9.759,955 5.206,956 16.18,957 8.381,958 11.953,959 0.444,960 15.066,961 2.346,962 9.458,963 10.875,964 5.889,965 18.497,966 9.352,967 13.413,968 0.177,969 16.951,970 1.1,971 10.734,972 12.435,973 6.849,974 21.105,975 10.621,976 3.512,977 -0.17,978 18.851,979 0.391,980 11.858,981 13.72,982 7.625,983 23.565,984 11.735,985 3.23,986 13.243,987 20.762,988 -0.47,989 13.09,990 15.211,991 8.526,992 26.133,993 12.961,994 2.93,995 11.508,996 22.682,997 4.371,998 14.273,999 16.579,1000 9.342,1001 28.652,1002 14.136,1003 2.596,1004 9.955,1005 24.61,1006 3.907,1007 15.496,1008 18.044,1009 10.216,1010 31.212,1011 15.354,1012 2.366,1013 8.927,1014 26.545,1015 3.591,1016 16.705,1017 19.454,1018 11.051,1019 33.758,1020 16.558,1021 2.046,1022 7.716,1023 28.486,1024 3.241,1025 17.93,1026 20.911,1027 11.912,1028 36.321,1029 17.778,1030 2.014,1031 6.724,1032 30.432,1033 2.74,1034 19.153,1035 22.344,1036 12.755,1037 38.881,1038 18.996,1039 8178,1040 14908,1041 21.331,1042 32.034,1043 53.599,1044 54.946,1045 55.957,1046 52.046,1047 52.044,1048 64.024,1049 6.402,1050 169.19,1051 50.885,1052 5.706,1053 5.888,1054 6.615,1055 5.602,1056 5.512,1057 7.371,1058 3.925,1059 21.151,1060 5.492,1061 17.79,1062 1.624,1063 1.665,1064 1.696,1065 1.577,1066 1.577,1067 1.94,1068 0.194,1069 5.127,1070 1.542,1071 4.127,1072 4.144,1073 4.082,1074 4.063,1075 7.474,1076 4.063,1077 3.945,1078 3.958,1079 3.889,1080 3.863,1081 7.43,1082 3.866,1083 3.754,1084 3.76,1085 3.717,1086 3.661,1087 6.53,1088 3.672,1089 3.392,1090 3.404,1091 3.323,1092 3.2,1093 6.46,1094 3.216,1095 3.238,1096 3.239,1097 3.201,1098 3.046,1099 6.401,1100 3.085,1101 3.135,1102 3.214,1103 3.034,1104 2.971,1105 6.351,1106 2.946,1107 3.109,1108 3.123,1109 2.904,1110 2.925,1111 4.805,1112 2.944,1113 2.927,1114 2.95,1115 2.821,1116 2.718,1117 4.529,1118 2.737,1119 0.144,1120 0.118,1121 0.222,1122 0.137,1123 0.106,1124 4.762,1125 0.132,1126 3.888,1127 0.071,1128 7.337,1129 0.401,1130 4.505,1131 0.106,1132 3.512,1133 4.371,1134 2.341,1135 13.243,1136 3.492,1137 2.007,1138 2.001,1139 2.066,1140 2.092,1141 1.39,1142 2.08,1143 1.749,1144 1.728,1145 1.883,1146 1.871,1147 1.244,1148 1.871,1149 1.706,1150 1.693,1151 1.852,1152 1.829,1153 1.082,1154 1.818,1155 1.624,1156 1.574,1157 1.795,1158 1.766,1159 0.882,1160 1.796,1161 1.229,1162 1.204,1163 1.406,1164 1.452,1165 0.537,1166 1.423,1167 1.091,1168 1.083,1169 1.315,1170 1.323,1171 0.482,1172 1.302,1173 1.023,1174 1.007,1175 1.185,1176 1.261,1177 0.242,1178 1.235,1179 0.836,1180 0.811,1181 1.092,1182 1.125,1183 0.128,1184 1.117,1185 4.205,1186 5.617,1187 3.045,1188 7.239,1189 5.533,1190 8.962,1191 7.735,1192 10.741,1194 2.013,1199 40.591,1202 5.647,1204 -1.22,1209 31.745,1210 68.248,1211 182.801,1212 228.311,1213 248.311,1214 254.311,1215 256.311,1216 81.797,1217 8.384,1218 128.2,1219 128.2,1220 28,1221 13.262,1222 3.7,1223 3.322,1224 38.988,1225 84,1226 85,1227 0.227,1228 186.462,1229 354.23,1230 446.728,1231 48053,1233 20.61,1234 0.711,1235 0.53,1236 20.61,1237 15.364,1238 13.807,1239 0.418,1240 0.283,1241 9.237,1242 13.297,1243 9.077,1244 7.388,1245 13.807,1246 9.354,1247 13.459,1248 0.259,1249 0.152,1250 13.459,1251 7.903,1252 12.521,1253 0.158,1254 0.083,1255 12.521,1256 6.594,1257 10.792,1258 0.093,1259 0.045,1260 10.792,1261 5.277,1262 9.38,1263 0.057,1264 0.024,1265 9.38,1266 3.908,1267 0.332,1268 87.125,1269 0.217,1270 25.973,1271 0.714,1272 170,1273 535.805,1274 187.05,1275 507.843,1276 680.1,1277 468,1278 216,1279 495.667,1280 233.717,1281 496.097,1282 744.27,1283 469,1284 5.253}
{0 CHEMBL487046,1 1.466,2 7.444,3 2.266,4 5.132,5 97.439,6 8.231,7 0.2,8 3.947,9 4.015,10 3.563,11 3.486,12 5.211,13 3.501,14 4.465,15 4.567,16 3.995,17 3.934,18 5.74,19 3.927,20 4.853,21 5.002,22 4.208,23 4.132,24 6.195,25 4.116,26 4.939,27 5.094,28 4.176,29 4.162,30 6.193,31 4.139,32 4.931,33 5.09,34 4.172,35 4.206,36 6.11,37 4.172,38 4.982,39 5.135,40 4.227,41 4.194,42 6.281,43 4.17,44 5.021,45 5.186,46 4.107,47 3.989,48 6.489,49 3.982,50 4.8,51 4.998,52 3.607,53 3.483,54 6.407,55 3.467,56 0.219,57 0.564,58 8.011,59 4.579,60 38.885,61 4.647,62 0.339,63 0.957,64 14.118,65 7.926,66 65.923,67 8.921,68 0.9,69 1.33,70 25.629,71 11.083,72 142.141,73 13.175,74 1.024,75 1.418,76 29.287,77 11.738,78 149.949,79 13.403,80 0.779,81 1.446,82 28.08,83 12.055,84 127.607,85 13.962,86 0.808,87 1.502,88 28.924,89 12.482,90 127.926,91 14.502,92 1.377,93 1.436,94 34.121,95 11.77,96 206.263,97 13.389,98 1.556,99 1.058,100 31.877,101 8.637,102 273.756,103 9.903,104 38,105 45,106 0.252,107 0.64,108 0.777,109 0.869,110 0.9,111 0.915,112 3.342,113 0.876,114 -2.56,115 -2.59,116 -2.52,118 44.4,120 4,121 2,128 2,129 2,130 2,131 2,132 1,133 3,140 1,142 1,151 1,153 1,154 13,155 1,157 4,160 1,162 2,164 15,165 2,169 6,172 3,173 1,174 7,176 15,177 3,179 1,180 7,183 1,185 8,187 14,188 3,192 6,196 8,199 12,200 2,204 6,205 1,208 1,209 10,212 7,213 2,216 1,217 6,220 2,221 1,222 11,223 2,225 2,230 3,231 1,232 3,233 2,234 5,235 1,241 1,242 1,245 2,246 1,247 1,253 1049,254 17.897,255 17.897,256 17.897,257 17.897,258 17.897,259 16.139,260 16.516,261 10.101,262 18.052,263 14.719,264 14.719,265 14.719,266 14.719,267 14.719,268 11.939,269 17.494,270 4.708,271 15.043,272 4.026,273 1.777,274 0.978,275 0.444,276 0.267,277 0.178,278 4.033,280 1,281 1,282 1,283 430,284 2.915,286 213.69,289 166.257,291 0.947,292 55.57,294 1,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 61,304 201,305 4.736,306 3.792,307 7.142,308 4.378,309 3.399,310 4.367,311 2.341,312 12.487,313 3.334,314 4.325,315 3.653,316 6.519,317 3.946,318 2.96,319 3.905,320 0.86,321 10.096,322 2.913,323 4.152,324 3.424,325 6.497,326 3.902,327 2.93,328 3.433,330 9.955,331 2.839,332 3.824,333 3.064,334 6.012,335 3.495,336 2.505,337 3.041,339 8.228,340 2.467,341 3.378,342 2.78,343 5.479,344 3.018,345 2.017,346 2.625,348 6.534,349 2.005,350 3.351,351 2.348,352 5.256,353 2.968,354 2.014,355 2.499,357 6.02,358 1.911,359 3.082,360 2.172,361 4.762,362 2.769,363 1.784,364 2.171,365 4.737,366 1.736,367 3.011,368 1.814,369 4.496,370 2.519,371 1.547,372 2.098,373 4.144,374 1.494,375 2.567,376 1.582,377 3.947,378 2.409,379 1.414,380 1.524,382 3.228,383 1.405,384 2.197,385 1.4,386 3.651,387 2.005,388 1,389 1.084,391 2.314,392 0.994,393 2.119,394 1.374,395 3.466,396 1.81,397 0.869,398 1.004,400 2.274,401 0.809,402 1.855,403 0.963,404 3.271,405 1.375,406 0.432,407 0.533,409 1.047,410 0.398,411 1.479,412 0.743,413 2.968,414 1.115,415 0.177,416 0.22,418 0.391,419 0.162,420 1.096,421 0.478,422 2.761,423 0.767,424 -0.197,425 -0.246,427 -0.548,428 -0.184,429 0.976,430 0.215,431 2.683,432 0.737,433 -0.22,434 -0.258,436 -0.564,437 -0.214,438 12.333,439 0.457,440 0.861,441 0.032,442 32,443 1.185,444 15,445 0.556,446 17,447 0.63,448 25.517,449 0.945,450 29.667,451 0.659,452 27.331,453 1.012,454 6.075,455 0.225,456 6.821,457 0.253,458 0.162,460 0.486,462 0.885,463 0.909,464 0.757,465 0.888,466 0.821,467 0.804,468 0.551,469 1.145,470 0.698,471 1.138,472 0.476,473 1.005,474 0.631,475 1.006,476 0.749,477 1.005,478 0.613,479 0.936,480 0.967,481 0.945,482 0.977,483 0.948,484 0.922,485 0.962,486 0.89,487 1.012,488 0.953,489 1.015,490 0.864,491 1.007,492 0.862,493 1.254,494 0.965,495 1.249,496 0.83,497 1.166,498 1.184,499 1.188,500 1.148,501 1.183,502 1.187,503 1.16,504 1.489,505 0.9,506 1.32,507 0.904,508 1.557,509 1.022,510 5,512 4.222,513 2.563,514 2.467,515 1.486,516 1.178,517 0.809,518 0.336,519 0.031,520 6928,521 23682,522 2.053,523 40,524 9,525 4,528 4,529 1,531 1.714,532 1.862,533 2.898,534 1.698,535 1,536 1,540 65.985,541 1.466,542 3.715,543 4.514,544 5.047,545 5.225,546 5.314,547 2.11,548 3.764,549 4.729,550 3.021,551 1060.35,552 8.283,553 12954.5,555 1,557 1,558 247.133,559 1.53,560 4.656,561 0.167,563 0.094,564 0.048,565 0.048,566 0.029,567 0.023,568 0.02,569 0.016,570 0.005,571 0.449,572 0.33,573 1,574 0.834,575 127.823,576 -0.144,577 0.181,578 -0.033,579 0.181,580 -0.117,581 0.127,582 0.075,583 -0.079,584 0.059,585 -0.073,586 0.11,587 -0.026,588 0.171,589 0.003,590 0.152,591 0.009,592 0.139,593 0.059,594 -0.058,595 0.05,596 -0.04,597 0.047,598 -0.079,599 0.018,600 -0.104,601 -0.006,602 -0.051,603 -0.002,604 -0.105,605 -0.008,606 -0.029,607 -0.256,608 -0.054,609 -0.248,610 -0.026,611 -0.18,612 -0.027,613 -0.241,614 -0.106,615 -0.242,616 -0.047,617 -0.21,618 -0.061,619 -0.009,620 -0.126,621 -0.022,622 -0.032,623 -0.079,624 2.575,625 4.865,626 0.741,627 18.894,628 1.028,629 1.116,630 1.332,631 1.774,632 0.667,633 3.434,634 3.829,635 4.19,636 4.511,637 4.86,638 5.063,639 5.268,640 5.416,641 5.525,642 5.46,643 4.925,644 0.661,645 370.38,646 3.434,647 5.017,648 5.916,649 6.838,650 7.762,651 8.694,652 9.626,653 10.562,654 11.499,655 12.437,667 2,672 4,674 6,685 2,686 1,688 45,689 11,690 1,691 30,693 48,694 20,695 6,696 4,697 2,698 7,700 4,701 7,705 4,706 2,708 4,710 14,711 6,712 2,714 5,717 2,718 2,719 6,721 1,722 1,725 18,726 7,727 4,728 7,734 0.5,735 7,744 4,747 2,749 1,751 1,752 4,753 2,755 2,757 2,765 27,768 4,769 4,771 1,773 2,782 15.6,784 4,785 2,787 1,789 14.5,790 7.8,791 5.806,792 2.783,794 2.486,795 1.317,796 0.903,797 4.423,798 10.331,799 3.664,800 4.27,801 4.866,802 5.422,803 6.03,804 6.464,805 6.897,806 7.291,807 7.636,808 7.777,809 0.8,810 53,811 10.172,813 4.796,814 8.272,815 18.496,817 16.175,819 2.772,820 74.833,823 164.795,824 74.13,827 232.023,830 74.13,831 396.819,834 10.138,835 37.905,836 232.31,837 25.8,839 164.795,841 164.795,842 74.13,843 232.023,846 164.795,847 232.023,849 10.138,850 39.796,851 24.196,853 164.795,854 232.023,855 74.13,858 164.795,859 36.225,860 37.905,862 232.023,863 164.795,864 232.023,865 74.13,867 0.601,868 0.372,869 0.201,870 0.12,871 24,872 12,873 0.042,874 2,875 2,876 1.2,877 3.53,878 259.257,879 0.2,880 20,881 128.382,884 17.984,885 6.641,886 2.809,888 232.023,889 2.862,894 -0.566,896 170.733,897 470.949,898 38,901 23.705,902 2.717,903 -1.252,905 46.244,906 50.203,907 0.267,908 0.676,909 0.822,910 0.919,911 0.951,912 0.968,913 4.966,914 1.547,915 5.948,916 4.737,917 4.511,918 4.956,919 2.402,920 6.862,921 4.466,922 6.203,923 1.414,924 7.579,925 4.144,926 4.29,927 4.934,928 2.243,929 7.966,930 4.219,931 7.551,932 1,933 9.312,934 3.228,935 6.205,936 7.152,937 3.657,938 11.137,939 6.122,940 8.932,941 0.869,942 11.101,943 2.314,944 6.781,945 7.92,946 4.112,947 13.046,948 6.669,949 10.346,950 0.432,951 12.926,952 2.274,953 8.214,954 9.666,955 5.206,956 15.763,957 8.092,958 11.782,959 0.177,960 14.775,961 1.047,962 9.136,963 10.788,964 5.889,965 18.005,966 8.986,967 13.236,968 -0.197,969 16.641,970 0.391,971 10.4,972 12.357,973 6.849,974 20.572,975 10.239,976 3.399,977 -0.22,978 18.521,979 -0.548,980 11.474,981 13.648,982 7.625,983 22.961,984 11.287,985 2.96,986 12.487,987 20.41,988 -0.564,989 12.682,990 15.147,991 8.526,992 25.48,993 12.48,994 2.93,995 10.096,996 22.308,997 4.367,998 13.822,999 16.52,1000 9.342,1001 27.935,1002 13.599,1003 2.505,1004 9.955,1005 24.213,1006 3.905,1007 15.015,1008 17.99,1009 10.216,1010 30.444,1011 14.775,1012 2.017,1013 8.228,1014 26.125,1015 3.433,1016 16.187,1017 19.405,1018 11.051,1019 32.931,1020 15.927,1021 2.014,1022 6.534,1023 28.041,1024 3.041,1025 17.38,1026 20.866,1027 11.912,1028 35.44,1029 17.102,1030 1.784,1031 6.02,1032 29.962,1033 2.625,1034 18.568,1035 22.303,1036 12.755,1037 37.943,1038 18.271,1039 6787,1040 12661,1041 19.422,1042 30.034,1043 47.219,1044 48.612,1045 48.995,1046 46.111,1047 46.096,1048 57.006,1049 6.402,1050 142.909,1051 44.935,1052 5.736,1053 5.792,1054 6.82,1055 5.475,1056 5.399,1057 7.367,1058 3.925,1059 20.236,1060 5.334,1061 15.789,1062 1.574,1063 1.62,1064 1.633,1065 1.537,1066 1.537,1067 1.9,1068 0.213,1069 4.764,1070 1.498,1071 4.079,1072 4.088,1073 4.046,1074 4.006,1075 7.474,1076 4.013,1077 3.839,1078 3.872,1079 3.745,1080 3.729,1081 7.43,1082 3.726,1083 3.753,1084 3.759,1085 3.712,1086 3.657,1087 6.53,1088 3.667,1089 3.362,1090 3.384,1091 3.263,1092 3.156,1093 6.46,1094 3.162,1095 3.268,1096 3.295,1097 3.198,1098 3.106,1099 6.401,1100 3.128,1101 3.11,1102 3.124,1103 3.035,1104 2.927,1105 6.351,1106 2.947,1107 2.996,1108 3.051,1109 2.821,1110 2.797,1111 4.799,1112 2.792,1113 2.927,1114 2.95,1115 2.797,1116 2.718,1117 4.296,1118 2.737,1119 0.158,1120 0.126,1121 0.238,1122 0.146,1123 0.113,1124 4.736,1125 0.146,1126 3.792,1127 0.078,1128 7.142,1129 0.416,1130 4.378,1131 0.111,1132 3.399,1133 4.367,1134 2.341,1135 12.487,1136 3.334,1137 2.023,1138 2.012,1139 2.128,1140 2.114,1141 1.517,1142 2.114,1143 1.826,1144 1.792,1145 1.972,1146 1.966,1147 1.172,1148 1.97,1149 1.711,1150 1.701,1151 1.799,1152 1.831,1153 0.894,1154 1.817,1155 1.283,1156 1.247,1157 1.52,1158 1.541,1159 0.824,1160 1.519,1161 1.227,1162 1.192,1163 1.486,1164 1.414,1165 0.776,1166 1.435,1167 1.028,1168 1.009,1169 1.191,1170 1.262,1171 0.262,1172 1.236,1173 0.949,1174 0.907,1175 1.114,1176 1.218,1177 0.144,1178 1.193,1179 0.836,1180 0.811,1181 1.036,1182 1.124,1183 0.021,1184 1.095,1185 4.111,1186 5.485,1188 7.076,1190 8.77,1192 10.521,1199 39.991,1200 2.791,1202 5.589,1204 -1.004,1209 29.745,1210 65.985,1211 167.159,1212 203.133,1213 227.133,1214 235.133,1215 239.133,1216 79.624,1217 7.846,1218 128.2,1219 128.2,1220 24,1221 12.934,1222 3.585,1223 3.17,1224 39.567,1225 77,1226 75,1227 0.253,1228 177.598,1229 334.63,1230 425.1,1231 25474,1233 19.292,1234 0.715,1235 0.53,1236 19.292,1237 14.306,1238 12.897,1239 0.43,1240 0.292,1241 8.643,1242 12.386,1243 8.541,1244 6.973,1245 12.897,1246 8.759,1247 12.152,1248 0.27,1249 0.154,1250 12.152,1251 6.95,1252 10.915,1253 0.168,1254 0.084,1255 10.915,1256 5.443,1257 8.984,1258 0.1,1259 0.046,1260 8.984,1261 4.163,1262 7.884,1263 0.062,1264 0.025,1265 7.884,1266 3.217,1267 0.371,1268 81.661,1269 0.227,1270 24.598,1271 0.79,1272 150,1273 505.805,1274 167.05,1275 476.342,1276 630.82,1277 438,1278 185,1279 453.667,1280 202.717,1281 452.189,1282 673.78,1283 427,1284 4.373}
{0 CHEMBL492894,1 1.471,2 5.5,3 2.079,4 4.322,5 63.003,6 7.423,7 0.333,8 3.487,9 3.592,10 3.051,11 3.08,12 4.593,13 3.055,14 4.034,15 4.169,16 3.449,17 3.534,18 5.188,19 3.477,20 4.392,21 4.599,22 3.502,23 3.684,24 5.382,25 3.586,26 4.423,27 4.647,28 3.445,29 3.617,30 5.451,31 3.528,32 4.303,33 4.526,34 3.192,35 3.38,36 5.509,37 3.283,38 3.946,39 4.212,40 2.482,41 2.865,42 5.069,43 2.701,44 3.29,45 3.595,46 1.583,47 2,48 4.384,49 1.812,50 2.183,51 2.519,52 0.295,53 0.897,54 3.045,55 0.687,56 0.032,57 0.396,58 5.924,59 2.809,60 8.495,61 3.495,62 0.125,63 0.683,64 10.749,65 4.976,66 34.697,67 6.509,68 0.231,69 0.929,70 17.489,71 6.932,72 39.366,73 9.45,74 0.202,75 0.928,76 18.823,77 6.838,78 41.478,79 9.209,80 0.209,81 0.757,82 17.26,83 6.193,84 45.935,85 8.011,86 0.181,87 0.497,88 12.865,89 4.446,90 39.504,91 5.928,92 0.124,93 0.237,94 7.124,95 2.177,96 24.947,97 2.965,98 0.057,99 0.068,100 2.392,101 0.646,102 10.254,103 0.907,104 6,105 26,106 0.285,107 0.692,108 0.846,109 0.913,110 0.926,111 0.926,112 2.857,113 0.92,114 -3.41,115 -3.4,116 -3.25,118 44.8,120 1,121 2,124 1,128 2,131 4,132 1,133 1,142 1,151 1,153 1,154 10,160 1,162 3,163 1,164 12,165 1,169 1,172 1,173 1,174 5,176 8,177 2,180 2,185 5,187 7,188 4,192 4,196 4,199 6,200 2,204 2,209 2,212 2,213 1,217 1,222 1,253 178,254 10.914,255 10.914,256 10.914,257 10.914,258 10.914,259 9.797,260 14.513,261 6.386,262 10.968,263 8.894,264 8.894,265 8.894,266 8.894,267 8.894,268 7.25,269 21.601,270 2.994,271 8.993,272 3.387,273 1.28,274 0.483,275 0.138,276 0.069,277 0.069,278 3.53,281 1,282 1,283 191,284 2.345,285 21.363,286 54.269,288 39.6,289 46.176,291 0.875,292 16.758,295 1,296 1,297 1,298 0.8,299 0.5,300 1,301 1,302 0.9,303 34.5,304 88,305 4.441,306 3.812,307 6.886,308 4.254,309 3.266,310 3.918,311 2.375,312 11.528,313 3.227,314 3.891,315 3.365,316 6.143,317 3.61,318 2.617,319 3.123,320 0.68,321 8.798,322 2.592,323 3.569,324 2.564,325 5.575,326 3.301,327 2.318,328 2.73,329 0.458,330 7.131,331 2.272,332 2.926,333 2.265,334 4.538,335 2.559,336 1.569,337 2.077,339 4.195,340 1.54,341 2.865,342 1.616,343 3.846,344 2.438,345 1.442,346 1.965,348 3.115,349 1.435,350 2.693,351 1.462,352 3.65,353 2.184,354 1.184,355 1.596,357 2.771,358 1.177,359 2.119,360 1.066,361 3.424,362 1.818,363 0.82,364 0.995,365 2.002,366 0.818,367 1.765,368 0.904,369 3.306,370 1.556,371 0.58,372 0.661,373 1.52,374 0.562,375 0.952,376 0.471,377 2.592,378 0.636,379 -0.344,380 -0.405,382 -0.893,383 -0.333,384 0.66,385 -0.05,386 2.368,387 0.302,388 -0.689,389 -0.846,391 -1.753,392 -0.681,393 0.447,394 -0.43,395 2,396 -0.002,397 -1,398 -1.311,400 -2,401 -0.962,402 0.28,403 -0.921,404 1.768,405 -0.077,406 -1.062,407 -1.451,409 -2.77,410 -1.054,411 -0.081,412 -1.042,413 1.517,414 -0.356,415 -1.344,416 -1.606,418 -3.539,419 -1.347,420 -0.5,421 -1.327,422 1.424,423 -0.578,424 -1.577,425 -1.798,427 -4.937,428 -1.577,429 -0.507,430 -1.499,431 1.115,432 -0.854,433 -1.828,434 -2.101,435 -0.27,436 -5.464,437 -1.765,438 7.567,439 0.473,440 0.401,441 0.025,442 19,443 1.188,444 9,445 0.563,446 10,447 0.625,448 11.565,449 0.723,450 17.033,451 0.587,452 11.601,453 0.725,454 3.667,455 0.229,456 4.104,457 0.256,458 0.088,460 0.396,462 0.794,463 1.004,464 0.798,465 0.897,466 0.701,467 0.851,468 0.409,469 1.224,470 0.888,471 1.134,472 0.366,473 1.095,474 0.641,475 1.08,476 0.972,477 1.047,478 0.682,479 1.063,480 1.028,481 0.996,482 1.007,483 0.976,484 0.968,485 0.976,486 1.368,487 1,488 1.116,489 1.084,490 1.363,491 1.063,492 1.349,493 0.929,494 1.12,495 1.021,496 1.423,497 1.042,498 1.586,499 0.702,500 1.024,501 0.764,502 1.677,503 0.806,504 1.854,505 0.227,506 0.999,507 0.266,508 1.992,509 0.468,510 2.5,512 2,513 0.993,514 1.173,515 0.591,516 0.107,517 0.056,520 1765,521 4803,522 2.135,523 44.8,524 3,525 7,528 2,530 1,531 1.56,532 2,533 2.523,534 0.39,536 1,537 1,538 1,540 42.67,541 1.471,542 3.578,543 4.375,544 4.72,545 4.789,546 4.789,547 1.954,548 3.078,549 3.976,550 2.568,551 308.168,552 6.737,553 2593.79,555 1,557 1,558 140.881,559 1.406,560 3.933,561 0.139,563 0.077,564 0.038,565 0.049,566 0.035,567 0.015,568 0.028,571 0.381,572 1,573 1,574 0.875,575 61.718,576 -0.098,577 0.109,578 0.012,579 0.13,580 -0.072,581 0.097,582 0.187,583 -0.15,584 -0.065,585 -0.12,586 0.188,587 -0.133,588 0.09,589 -0.066,590 -0.056,591 -0.076,592 0.002,593 -0.094,594 -0.098,595 -0.001,596 -0.041,597 -0.031,598 -0.094,599 -0.021,600 -0.132,601 -0.087,602 -0.1,603 -0.135,604 -0.066,605 -0.112,606 -0.119,607 -0.095,608 -0.056,609 -0.072,610 -0.097,611 -0.059,612 -0.138,613 0.081,614 0.131,615 0.156,616 -0.123,617 0.181,618 -0.267,619 0.508,620 0.24,621 0.634,622 -0.299,623 0.536,624 2.423,625 4.217,626 0.813,627 7.25,628 1.002,629 1.118,630 2.185,631 4.773,632 0.672,633 2.944,634 3.296,635 3.638,636 3.97,637 4.205,638 4.29,639 4.357,640 4.331,641 4.22,642 3.932,643 3.553,644 0.642,645 215.27,646 2.944,647 4.489,648 5.371,649 6.279,650 7.185,651 8.099,652 9.011,653 9.927,654 10.841,655 11.757,656 3.4,659 1,667 4,672 2,674 6,683 1,688 29,689 8,690 1,691 18,693 31,694 13,695 6,696 2,697 4,700 3,701 6,705 2,706 2,708 2,710 9,711 4,712 2,714 2,717 1,718 2,719 1,722 1,725 13,726 3,727 2,728 3,732 1,734 0.333,735 2,743 1,744 2,746 1,747 1,751 1,752 2,755 1,757 1,765 16,768 1,769 1,770 1,773 3,782 6.9,784 1,785 1,789 8,790 4.867,791 3.472,792 1.744,794 1.671,795 1.259,796 0.954,797 2.163,798 8.134,799 3.178,800 3.701,801 4.201,802 4.735,803 5.215,804 5.413,805 5.711,806 5.958,807 6.116,808 6.055,809 0.75,810 26,811 5.949,813 2.675,814 7.875,815 11.4,817 10.081,819 2.375,820 38,821 0.003,823 129.482,824 66.244,825 18.011,827 67.828,830 66.244,831 197.31,832 18.011,834 2.535,835 56.857,836 86.749,837 5.942,839 129.482,841 129.482,842 84.255,843 67.828,846 117.711,847 79.599,849 2.535,850 44.757,851 36.963,853 129.482,854 85.839,855 66.244,858 129.482,859 9.387,860 56.857,861 18.011,862 67.828,863 129.482,864 85.839,865 66.244,867 0.586,868 0.357,869 0.21,870 0.117,871 15,872 6,873 0.032,874 1,875 2,876 1.308,877 2.783,878 118,879 0.308,880 13,881 64,884 9.761,885 3.546,886 1.442,888 85.839,889 7.968,894 2.182,896 60.694,897 281.565,898 23,901 11.217,902 4.231,903 -0.756,905 29.058,906 32.408,907 0.303,908 0.737,909 0.901,910 0.972,911 0.986,912 0.986,913 4.437,914 0.58,915 5.371,916 2.002,917 3.97,918 4.382,919 2.429,920 6.248,921 3.946,922 5.618,923 -0.344,924 6.967,925 1.52,926 3.611,927 4.06,928 2.243,929 7.29,930 3.571,931 6.915,932 -0.689,933 8.671,934 -0.893,935 5.609,936 6.411,937 3.71,938 10.449,939 5.561,940 8.245,941 -1,942 10.439,943 -1.753,944 6.111,945 6.912,946 4.173,947 12.329,948 6.049,949 9.609,950 -1.062,951 12.246,952 -2,953 7.581,954 8.746,955 5.293,956 15.006,957 7.509,958 10.996,959 -1.344,960 14.081,961 -2.77,962 8.462,963 9.641,964 5.987,965 17.21,966 8.377,967 12.402,968 -1.577,969 15.933,970 -3.539,971 9.736,972 11.251,973 6.966,974 19.731,975 9.641,976 3.266,977 -1.828,978 17.799,979 -4.937,980 10.784,981 12.352,982 7.754,983 22.071,984 10.677,985 2.617,986 11.528,987 19.675,988 -5.464,989 11.989,990 13.851,991 8.671,992 24.539,993 11.87,994 2.318,995 8.798,996 21.558,997 3.918,998 13.11,999 15.064,1000 9.5,1001 26.936,1002 12.979,1003 1.569,1004 7.131,1005 23.448,1006 3.123,1007 14.292,1008 16.505,1009 10.389,1010 29.387,1011 14.15,1012 1.442,1013 4.195,1014 25.343,1015 2.73,1016 15.445,1017 17.782,1018 11.238,1019 31.809,1020 15.291,1021 1.184,1022 3.115,1023 27.242,1024 2.077,1025 16.623,1026 19.19,1027 12.114,1028 34.254,1029 16.457,1030 0.82,1031 2.771,1032 29.145,1033 1.965,1034 17.791,1035 20.504,1036 12.971,1037 36.688,1038 17.613,1039 1762,1040 2948,1041 12.137,1042 19.483,1043 28.093,1044 28.271,1045 28.514,1046 27.619,1047 27.591,1048 34.13,1049 7.025,1050 82.125,1051 27.245,1052 5.39,1053 5.812,1054 6.568,1055 5.295,1056 5.266,1057 6.918,1058 3.987,1059 19.109,1060 5.227,1061 6.278,1062 1.561,1063 1.571,1064 1.584,1065 1.534,1066 1.533,1067 1.896,1068 0.39,1069 4.563,1070 1.514,1071 4.06,1072 4.092,1073 3.996,1074 3.986,1075 7.474,1076 3.984,1077 3.707,1078 3.745,1079 3.615,1080 3.634,1081 6.351,1082 3.624,1083 3.468,1084 3.488,1085 3.4,1086 3.243,1087 4.786,1088 3.275,1089 2.98,1090 3.022,1091 2.878,1092 2.803,1093 4.412,1094 2.795,1095 2.896,1096 2.962,1097 2.748,1098 2.745,1099 4.01,1100 2.749,1101 2.747,1102 2.817,1103 2.57,1104 2.528,1105 3.624,1106 2.539,1107 2.433,1108 2.549,1109 2.193,1110 2.219,1111 3.366,1112 2.196,1113 2.368,1114 2.464,1115 2.116,1116 2.047,1117 3.057,1118 2.065,1119 0.247,1120 0.212,1121 0.383,1122 0.236,1123 0.181,1124 4.441,1125 0.218,1126 3.812,1127 0.132,1128 6.886,1129 0.64,1130 4.254,1131 0.179,1132 3.266,1133 3.918,1134 2.375,1135 11.528,1136 3.227,1137 1.968,1138 1.941,1139 2.072,1140 2.067,1141 1.379,1142 2.07,1143 1.62,1144 1.58,1145 1.812,1146 1.771,1147 1.045,1148 1.782,1149 1.492,1150 1.45,1151 1.682,1152 1.619,1153 0.819,1154 1.642,1155 1.144,1156 1.113,1157 1.349,1158 1.417,1159 0.515,1160 1.394,1161 0.877,1162 0.831,1163 1.115,1164 1.162,1165 0.167,1166 1.139,1167 0.725,1168 0.66,1169 0.997,1170 0.932,1171 0.106,1172 0.969,1173 0.398,1174 0.325,1175 0.763,1176 0.753,1178 0.774,1179 0.123,1181 0.678,1182 0.503,1184 0.57,1185 3.611,1186 4.949,1187 2.398,1188 6.503,1189 4.595,1190 8.165,1191 6.629,1192 9.888,1199 9.221,1200 0.85,1201 3.128,1204 -0.041,1209 18.612,1210 42.67,1211 103.762,1212 126.881,1213 136.881,1214 138.881,1215 138.881,1216 24.258,1217 6.463,1218 49.33,1219 49.33,1220 17,1221 12.269,1222 3.17,1223 2.585,1224 21.548,1225 37,1226 25,1227 0.337,1228 113.44,1229 200.86,1230 268.555,1231 4387,1233 11.121,1234 0.695,1235 0.547,1236 11.121,1237 8.759,1238 7.771,1239 0.432,1240 0.307,1241 5.474,1242 7.571,1243 5.388,1244 4.415,1245 7.771,1246 5.521,1247 7.111,1248 0.273,1249 0.169,1250 7.111,1251 4.401,1252 6.124,1253 0.166,1254 0.096,1255 6.124,1256 3.538,1257 5.464,1258 0.105,1259 0.054,1260 5.464,1261 2.788,1262 4.473,1263 0.068,1264 0.029,1265 4.473,1266 1.887,1267 0.481,1268 48.188,1269 0.287,1270 15.436,1271 1.077,1272 88,1273 232.218,1274 94.482,1275 225.959,1276 304.9,1277 210,1278 107,1279 219.638,1280 112.931,1281 222.508,1282 328.33,1283 211,1284 4}
{0 CHEMBL496,1 1.75,2 6.762,3 7.256,4 52.652,5 88.012,6 15.07,7 0.545,8 3.45,9 3.468,10 3.582,11 3.227,12 4.801,13 3.195,14 3.888,15 3.916,16 4.088,17 3.654,18 5.271,19 3.602,20 4.206,21 4.23,22 4.521,23 3.855,24 5.785,25 3.781,26 4.251,27 4.308,28 4.395,29 3.756,30 5.792,31 3.652,32 4.089,33 4.178,34 4.228,35 3.592,36 5.608,37 3.48,38 3.867,39 3.894,40 4.236,41 3.477,42 5.606,43 3.422,44 3.825,45 3.811,46 4.49,47 3.435,48 5.735,49 3.342,50 3.39,51 3.462,52 3.93,53 2.928,54 5.036,55 2.7,56 0.29,57 0.25,58 4.917,59 1.259,60 33.378,61 1.186,62 0.428,63 0.382,64 10.724,65 1.884,66 44.305,67 2.314,68 0.791,69 0.483,70 25.82,71 3.448,72 83.435,73 3.371,74 1.006,75 0.517,76 33.147,77 5.156,78 115.404,79 4.137,80 0.848,81 0.442,82 41.28,83 5.182,84 88.313,85 5.245,86 0.651,87 0.337,88 20.179,89 3.203,90 75.985,91 3.108,92 0.735,93 0.274,94 23.207,95 3.032,96 74.906,97 2.137,98 0.5,99 0.184,100 28.573,101 2.835,102 46.266,103 2.363,104 65,105 33,106 0.344,107 0.607,108 0.676,109 0.745,110 0.745,111 0.745,112 3.104,113 1.051,114 -6.03,115 -5.88,116 -5.47,118 48.1,120 1,131 2,132 2,133 8,154 2,162 2,164 7,174 6,176 12,185 4,187 10,196 2,199 8,208 1,209 2,212 1,222 6,225 6,237 9,253 502,254 13.121,255 13.121,256 13.121,257 13.121,258 13.121,259 11.197,260 10.994,261 7.178,262 13.817,263 10.685,264 10.685,265 10.685,266 10.685,267 10.685,268 7.992,269 11.133,270 3.316,271 12.246,272 3.005,273 1.667,274 1.315,275 0.963,276 0.963,277 0.963,278 3.746,279 6,282 1,283 286,284 2.449,286 136.761,291 0.889,292 38.128,295 0.75,296 0.83,297 1,298 0.4,300 1,301 1,302 0.71,303 46,304 142,305 4.576,306 3.636,307 6.762,308 4.152,309 3.221,310 4.302,311 0.68,312 10.904,313 2.974,314 4.452,315 3.504,316 6.606,317 3.976,318 3.068,319 4.183,321 10.283,322 2.738,323 3.637,324 2.955,325 5.686,326 3.141,327 2.303,328 3,330 7.063,331 1.861,332 3.637,333 2.954,334 5.686,335 3.14,336 2.303,337 3,339 7.063,340 1.815,341 3.46,342 2.705,343 5.281,344 3.049,345 2.14,346 2.757,348 6.379,349 1.815,350 3.237,351 2.414,352 5.071,353 2.764,354 1.865,355 2.501,357 5.624,358 1.594,359 1.827,360 1.841,361 3.596,362 1.577,363 0.696,364 0.758,365 1.837,366 0.567,367 1.781,368 1.756,369 3.335,370 1.295,371 0.618,372 0.686,373 1.416,374 0.351,375 1.781,376 1.455,377 3.335,378 1.275,379 0.618,380 0.686,382 1.416,383 0.336,384 1.214,385 0.779,386 3.07,387 0.837,393 0.646,394 0.258,395 2.524,396 0.128,397 -0.556,398 -0.643,400 -1.293,401 -0.298,402 0.573,403 0.258,404 1.769,405 0.057,406 -0.57,407 -0.649,409 -1.303,410 -0.299,411 0.196,412 -0.375,413 1.729,414 -0.163,415 -1,416 -1.158,418 -2.743,419 -0.674,420 -0.137,421 -0.554,422 1.729,423 -0.576,424 -1.303,425 -1.5,427 -3.219,428 -0.777,429 -0.137,430 -0.609,431 1.597,432 -0.613,433 -1.303,434 -1.5,436 -3.219,437 -0.885,438 11.452,439 0.545,440 0.851,441 0.041,442 26,443 1.238,444 13,445 0.619,446 13,447 0.619,448 20.924,449 0.996,450 22.148,451 0.82,452 17.351,453 0.826,454 5.004,455 0.238,456 4.731,457 0.225,458 0.432,460 0.437,462 0.84,463 0.774,464 0.52,465 0.409,466 0.95,467 0.473,468 0.738,469 1.091,470 0.611,471 0.599,472 0.697,473 0.632,474 0.903,475 1.214,476 0.898,477 1.026,478 0.892,479 1.008,480 1.268,481 1.064,482 1.15,483 1.166,484 1.379,485 1.274,486 0.993,487 0.867,488 1.203,489 1.249,490 0.945,491 1.183,492 0.938,493 0.984,494 0.899,495 0.794,496 0.928,497 0.633,498 1.012,499 1.031,500 1.029,501 1.048,502 1.031,503 0.914,504 1.27,505 0.838,506 1.495,507 1.338,508 1.137,509 1.545,510 5.5,512 4,513 2.375,514 1.831,515 0.681,516 0.656,517 0.375,518 0.082,520 3350,521 20896,522 1.863,523 22.2,524 2,525 2,528 2,531 1.64,532 1.636,533 2.813,534 0.472,540 47.257,541 1.75,542 3.087,543 3.44,544 3.792,545 3.792,546 3.792,547 2.035,548 2.678,549 4.372,550 2.921,551 613.405,552 7.527,553 6473,558 128.382,559 1.441,560 4.242,561 0.25,563 0.121,564 0.063,565 0.061,566 0.026,567 0.023,568 0.016,569 0.009,571 0.569,572 0.67,573 0.88,574 0.74,575 92.206,576 -0.146,577 0.227,578 -0.026,579 0.19,580 -0.194,581 0.125,582 -0.054,583 -0.123,584 0.004,585 0.05,586 -0.024,587 0.061,588 -0.009,589 -0.273,590 -0.043,591 -0.2,592 0.007,593 -0.2,594 -0.228,595 -0.079,596 -0.175,597 -0.117,598 -0.27,599 -0.246,600 -0.017,601 0.12,602 -0.109,603 -0.126,604 -0.007,605 0.03,606 0.099,607 -0.021,608 0.044,609 0.17,610 0.165,611 0.274,612 0.223,613 -0.151,614 0.176,615 -0.029,616 0.201,617 -0.077,618 -0.093,619 0.057,620 0.039,621 -0.025,622 -0.148,623 -0.214,624 1.919,625 4.019,626 0.571,627 11.519,628 1.07,629 1.095,630 4.804,631 23.081,632 0.875,633 3.135,634 3.526,635 3.807,636 3.97,637 4.174,638 4.174,639 4.043,640 3.97,641 4.043,642 3.97,643 4.57,644 0.835,645 406.89,646 3.135,647 4.71,648 5.58,649 6.475,650 7.363,651 8.26,652 9.152,653 10.049,654 10.943,655 11.839,667 2,672 10,674 12,685 2,687 6,688 27,689 12,690 2,691 22,693 28,694 13,695 12,696 10,697 2,700 2,701 2,702 6,708 1,710 12,711 1,725 6,726 2,727 2,728 8,729 6,734 1,735 2,744 2,757 2,762 6,765 21,768 2,769 1,781 6,782 7.4,784 2,789 12.833,790 4.924,791 4.556,792 1.398,794 2.348,795 1.368,796 0.925,797 5.544,798 8.733,799 3.367,800 4.078,801 4.649,802 5.143,803 5.663,804 5.821,805 5.834,806 6.135,807 6.551,808 6.803,809 1,810 38,811 7.721,813 3.422,814 8.302,815 13.752,817 11.18,819 2.802,820 58.833,823 47.084,824 48.862,826 234.892,827 85.367,830 48.862,831 367.343,834 2.535,835 18.952,836 85.367,837 27.375,839 47.084,840 234.892,841 47.084,842 48.862,843 85.367,844 234.892,846 47.084,847 85.367,849 2.535,850 46.327,851 234.892,853 47.084,854 85.367,855 283.754,858 47.084,859 29.909,860 18.952,862 320.259,863 47.084,864 85.367,865 283.754,867 0.613,868 0.381,869 0.179,870 0.096,871 16,872 10,873 0.071,874 2,876 1,877 3.004,878 162.804,880 12,881 72.239,884 17.432,885 6.679,886 3.377,888 85.367,889 2.632,894 0.516,896 85.367,897 416.205,898 28,905 28.898,906 29.574,907 0.368,908 0.649,909 0.723,910 0.797,911 0.797,912 0.797,913 4.644,914 0.618,915 5.638,916 1.837,917 4.205,918 4.762,919 0.655,920 6.521,921 3.932,922 5.928,923 0.618,924 7.273,925 1.416,926 4.111,927 4.913,929 7.561,930 3.611,931 7.293,933 9.002,934 1.416,935 5.894,936 7.076,937 0.356,938 10.674,939 5.457,940 8.689,941 -0.556,942 10.778,944 6.524,945 7.93,947 12.438,948 5.866,949 10.109,950 -0.57,951 12.581,952 -1.293,953 7.877,954 9.667,955 0.18,956 15.119,957 7.275,958 11.546,959 -1,960 14.404,961 -1.303,962 8.805,963 10.829,965 17.201,966 8.028,967 12.996,968 -1.303,969 16.24,970 -2.743,971 10.019,972 12.407,973 0.087,974 19.714,975 9.253,976 3.221,977 -1.303,978 18.086,979 -3.219,980 11.076,981 13.715,983 21.949,984 10.174,985 3.068,986 10.904,987 19.942,988 -3.219,989 12.245,990 15.225,991 0.041,992 24.386,993 11.314,994 2.303,995 10.283,996 21.804,997 4.302,998 13.356,999 16.605,1001 26.693,1002 12.315,1003 2.303,1004 7.063,1005 23.673,1006 4.183,1007 14.513,1008 18.083,1009 0.019,1010 29.096,1011 13.418,1012 2.14,1013 7.063,1014 25.547,1015 3,1016 15.648,1017 19.497,1019 31.436,1020 14.456,1021 1.865,1022 6.379,1023 27.425,1024 3,1025 16.801,1026 20.96,1027 0.009,1028 33.823,1029 15.543,1030 0.696,1031 5.624,1032 29.307,1033 2.757,1034 17.947,1035 22.392,1037 36.181,1038 16.6,1039 3538,1040 8892,1041 13.066,1042 23.625,1043 33.868,1044 36.691,1045 36.853,1046 34.046,1047 33.662,1048 43.746,1049 1.36,1050 103.97,1051 28.1,1052 5.361,1053 5.636,1054 5.762,1055 5.152,1056 5.221,1057 7.302,1058 1.36,1059 18.375,1060 4.974,1061 15.158,1062 1.539,1063 1.668,1064 1.675,1065 1.548,1066 1.53,1067 1.988,1068 0.062,1069 4.726,1070 1.277,1071 4.001,1072 4.003,1073 4.221,1074 3.964,1075 6.473,1076 3.956,1077 3.841,1078 3.837,1079 4.134,1080 3.808,1081 6.465,1082 3.797,1083 3.189,1084 3.23,1085 3.67,1086 3.112,1087 5.053,1088 3.09,1089 2.988,1090 2.965,1091 3.669,1092 2.9,1093 5.009,1094 2.877,1095 2.985,1096 2.961,1097 3.467,1098 2.897,1099 4.669,1100 2.877,1101 2.774,1102 2.783,1103 3.387,1104 2.667,1105 4.667,1106 2.658,1107 2.468,1108 2.515,1109 3.114,1110 2.162,1111 4.482,1112 2.144,1113 2.163,1114 2.183,1115 2.862,1116 1.816,1117 4.464,1118 1.795,1119 0.208,1120 0.165,1121 0.307,1122 0.189,1123 0.146,1124 4.576,1125 0.196,1126 3.636,1127 0.031,1128 6.762,1129 0.496,1130 4.152,1131 0.135,1132 3.221,1133 4.302,1134 0.68,1135 10.904,1136 2.974,1137 1.946,1138 1.942,1139 1.964,1140 2,1141 1.239,1142 2.006,1143 1.793,1144 1.795,1145 1.773,1146 1.844,1147 0.978,1148 1.848,1149 1.184,1150 1.145,1151 1.376,1152 1.314,1153 0.585,1154 1.353,1155 0.829,1156 0.849,1157 0.918,1158 1.077,1160 1.036,1161 0.828,1162 0.848,1163 0.856,1164 1.056,1166 1.015,1167 0.7,1168 0.684,1169 0.69,1170 0.79,1172 0.826,1173 0.352,1174 0.284,1175 0.583,1176 0.638,1178 0.678,1181 0.299,1182 0.343,1184 0.371,1185 3.807,1186 5.176,1188 6.744,1190 8.406,1192 10.115,1195 35.693,1199 20.038,1200 -0.046,1209 22.555,1210 47.257,1211 83.362,1212 92.872,1213 102.382,1214 102.382,1215 102.382,1216 65.739,1217 6.385,1218 40.46,1219 40.46,1220 12,1221 12.364,1222 3.7,1223 2.807,1224 38.917,1225 58,1226 42,1227 0.346,1228 161.109,1229 279.94,1230 384.867,1231 3868,1232 22.2,1233 15.895,1234 0.757,1235 0.693,1236 18.895,1237 14.56,1238 9.735,1239 0.442,1240 0.35,1241 5.592,1242 7.927,1243 5.27,1244 4.248,1245 11.467,1246 7.711,1247 9.38,1248 0.284,1249 0.198,1250 11.53,1251 6.524,1252 8.323,1253 0.189,1254 0.115,1255 11.01,1256 5.063,1257 5.85,1258 0.112,1259 0.061,1260 7.781,1261 3.196,1262 4.483,1263 0.07,1264 0.033,1265 6.105,1266 2.094,1267 0.514,1268 78.617,1269 0.277,1270 20.051,1271 1.043,1272 110,1273 411.52,1274 207.324,1275 577.857,1276 706.92,1277 526,1278 132,1279 363.237,1280 219.731,1281 427.821,1282 633.2,1283 400,1284 4.562}
{0 CHEMBL502775,1 1.503,2 7.348,3 0.987,4 0.975,5 82.085,6 9.523,7 0.24,8 3.67,9 3.708,10 3.388,11 3.203,12 5.113,13 3.26,14 4.068,15 4.106,16 3.802,17 3.574,18 5.626,19 3.631,20 4.378,21 4.443,22 3.978,23 3.712,24 6.028,25 3.772,26 4.424,27 4.514,28 3.856,29 3.704,30 5.888,31 3.737,32 4.371,33 4.494,34 3.782,35 3.683,36 5.72,37 3.694,38 4.369,39 4.48,40 3.818,41 3.554,42 5.958,43 3.609,44 4.356,45 4.462,46 3.674,47 3.247,48 6.157,49 3.355,50 4.063,51 4.209,52 3.147,53 2.663,54 6.014,55 2.77,56 0.315,57 0.389,58 4.032,59 3.033,60 50.762,61 2.145,62 0.426,63 0.589,64 5.146,65 4.645,66 67.495,67 3.833,68 0.887,69 0.778,70 10.326,71 6.148,72 129.199,73 5.175,74 0.945,75 0.817,76 12.327,77 6.495,78 126.932,79 5.151,80 0.682,81 0.806,82 12.16,83 6.592,84 100.005,85 6.397,86 0.743,87 0.781,88 11.924,89 6.317,90 116.806,91 6.01,92 1.138,93 0.716,94 14.323,95 5.646,96 179.295,97 4.524,98 1.101,99 0.513,100 14.129,101 4.096,102 201.304,103 3.529,104 40,105 37,106 0.275,107 0.634,108 0.802,109 0.902,110 0.924,111 0.924,112 3.19,113 0.773,114 -1.55,115 -1.62,116 -1.66,118 48.5,128 4,129 2,130 2,131 2,132 1,133 3,140 1,142 1,151 1,153 1,154 8,155 1,157 4,160 1,162 2,164 8,165 1,169 5,172 3,173 1,174 6,176 8,177 1,179 1,180 5,183 1,185 6,187 7,188 2,192 4,196 7,199 4,200 2,204 4,205 1,208 1,209 8,212 1,213 2,216 1,217 4,220 2,221 1,222 6,223 2,230 1,231 1,232 3,233 2,234 1,235 1,241 1,245 2,246 1,253 653,254 14.983,255 14.983,256 14.983,257 14.983,258 14.983,259 13.07,260 11.156,261 8.476,262 15.138,263 12.251,264 12.251,265 12.251,266 12.251,267 12.251,268 9.214,269 10.611,270 3.982,271 12.575,272 3.542,273 1.584,274 0.667,275 0.121,278 3.863,281 1,282 1,283 353,284 3.082,286 130.699,289 147.275,291 0.972,292 48.892,295 1,296 1,297 1,298 0.4,300 1,301 1,302 0.77,303 53,304 169,305 4.706,306 3.652,307 6.982,308 4.303,309 3.332,310 4.359,311 1.437,312 11.856,313 3.237,314 4.325,315 3.475,316 6.497,317 3.904,318 2.93,319 3.902,320 0.86,321 9.955,322 2.851,323 3.991,324 3.392,325 6.095,326 3.582,327 2.6,328 3.373,330 8.565,331 2.54,332 3.617,333 2.945,334 5.479,335 3.199,336 2.196,337 2.855,339 6.534,340 2.178,341 3.37,342 2.532,343 5.157,344 3.008,345 2.014,346 2.612,348 5.885,349 1.992,350 3.345,351 2.298,352 4.652,353 2.899,354 1.956,355 2.494,357 5.124,358 1.824,359 3.023,360 1.814,361 4.496,362 2.519,363 1.547,364 2.171,365 4.144,366 1.494,367 2.723,368 1.551,369 4.049,370 2.228,371 1.244,372 1.645,373 3.183,374 1.217,375 2.242,376 1.274,377 3.408,378 1.574,379 0.655,380 0.836,382 1.627,383 0.59,384 1.857,385 0.922,386 2.968,387 1.322,388 0.34,389 0.485,391 0.759,392 0.327,393 1.485,394 0.728,395 2.864,396 1.111,397 0.177,398 0.22,400 0.391,401 0.161,402 1.097,403 0.429,404 2.761,405 0.743,406 -0.197,407 -0.249,409 -0.548,410 -0.184,411 0.971,412 0.183,413 2.556,414 0.652,415 -0.329,416 -0.409,418 -0.847,419 -0.318,420 0.496,421 -0.066,422 2.254,423 0.017,424 -1,425 -1.183,427 -2,428 -0.917,429 0.297,430 -0.469,431 2,432 -0.043,433 -1,434 -1.225,436 -2.683,437 -0.949,438 10.333,439 0.449,440 0.775,441 0.034,442 31,443 1.348,444 16.5,445 0.717,446 14.5,447 0.63,448 15.448,449 0.672,450 24.467,451 0.741,452 26.164,453 1.138,454 6.627,455 0.288,456 4.269,457 0.186,458 0.194,460 0.484,462 0.968,463 0.779,464 0.717,465 0.746,466 0.925,467 0.646,468 0.675,469 1.1,470 0.583,471 1.08,472 0.574,473 0.888,474 0.785,475 0.984,476 0.787,477 0.981,478 0.737,479 0.92,480 1.044,481 0.931,482 1.129,483 0.945,484 0.924,485 1.034,486 0.804,487 1.075,488 0.916,489 1.086,490 0.7,491 1.072,492 0.892,493 1.321,494 0.874,495 1.312,496 0.901,497 1.165,498 1.302,499 1.188,500 1.232,501 1.181,502 1.463,503 1.172,504 1.4,505 0.832,506 1.416,507 0.844,508 1.564,509 1.032,510 5,512 3.778,513 1.938,514 2.044,515 1.174,516 0.855,517 0.542,518 0.221,520 4485,521 19514,522 1.991,523 30.3,525 6,528 4,531 1.668,532 1.792,533 2.885,534 1.865,536 1,538 1,540 49.594,541 1.503,542 3.461,543 4.378,544 4.923,545 5.044,546 5.044,547 2.142,548 3.741,549 4.493,550 3.007,551 760.808,552 7.796,553 8373.44,554 1,555 1,558 166.465,559 1.55,560 4.413,561 0.2,563 0.102,564 0.046,565 0.055,566 0.034,567 0.025,568 0.021,569 0.017,571 0.5,572 0.33,573 1,574 1.292,575 103.858,576 -0.211,577 0.223,578 -0.096,579 0.232,580 -0.226,581 0.169,582 0.024,583 -0.107,584 0.036,585 -0.103,586 0.066,587 -0.054,588 0.104,589 -0.003,590 0.02,591 -0.013,592 0.074,593 -0.033,594 -0.135,595 0.046,596 -0.248,597 0.027,598 -0.15,599 -0.102,600 -0.07,601 -0.102,602 -0.003,603 -0.092,604 -0.041,605 -0.04,606 -0.025,607 -0.361,608 0.083,609 -0.34,610 -0.008,611 -0.165,612 -0.073,613 -0.239,614 -0.102,615 -0.241,616 -0.138,617 -0.207,618 0.023,619 0.11,620 -0.034,621 0.1,622 0.039,623 0.037,624 2.861,625 4.564,626 0.609,627 16.408,628 1.052,629 1.107,630 0.316,631 0.1,632 0.697,633 3.258,634 3.638,635 3.951,636 4.234,637 4.575,638 4.771,639 4.92,640 5.004,641 5.069,642 4.905,643 4.735,644 0.716,645 314.26,646 3.258,647 4.828,648 5.707,649 6.616,650 7.523,651 8.443,652 9.362,653 10.286,654 11.21,655 12.137,667 2,672 4,674 6,685 2,686 1,688 33,689 12,690 1,691 25,693 35,694 16,695 6,696 4,697 2,698 10,700 3,701 6,710 16,714 6,717 2,718 4,719 6,721 1,722 1,725 10,726 7,727 4,728 7,734 0.333,735 7,744 3,747 2,749 1,751 1,752 6,753 2,755 2,757 1,765 23,768 4,771 1,782 21.2,784 4,785 2,787 1,789 12.833,790 5.8,791 4.972,792 1.7,794 2.803,795 1.389,796 0.888,797 3.655,798 10.015,799 3.555,800 4.182,801 4.794,802 5.349,803 5.981,804 6.424,805 6.86,806 7.236,807 7.584,808 7.701,809 0.8,810 42,811 8.543,813 3.935,814 8.551,815 14.912,817 12.265,819 3.051,820 70.167,823 70.627,824 82.944,827 232.023,830 82.944,831 302.65,835 56.857,836 232.31,837 25.8,839 70.627,841 70.627,842 82.944,843 232.023,846 70.627,847 232.023,850 39.796,851 43.148,853 70.627,854 232.023,855 82.944,858 70.627,859 26.087,860 56.857,862 232.023,863 70.627,864 232.023,865 82.944,867 0.599,868 0.352,869 0.181,870 0.112,871 19,872 10,873 0.057,874 2,875 2,876 1.286,877 3.257,878 195.329,879 0.286,880 14,881 104.042,884 15.242,885 5.515,886 2.488,888 232.023,889 2.649,894 -0.9,896 170.733,897 385.594,898 34,901 22.352,902 4.631,903 -2.16,905 34.709,906 36.542,907 0.298,908 0.686,909 0.868,910 0.976,911 1,912 1,913 4.832,914 1.244,915 5.74,916 4.144,917 4.317,918 4.868,919 1.888,920 6.627,921 4.263,922 6.092,923 0.655,924 7.358,925 3.183,926 4.111,927 4.844,929 7.689,930 4.025,931 7.441,932 0.34,933 9.076,934 1.627,935 5.989,936 7.107,937 2.362,938 10.834,939 5.885,940 8.824,941 0.177,942 10.851,943 0.759,944 6.553,945 7.852,947 12.69,948 6.41,949 10.237,950 -0.197,951 12.66,952 0.391,953 7.967,954 9.633,955 2.965,956 15.389,957 7.809,958 11.67,959 -0.329,960 14.493,961 -0.548,962 8.872,963 10.737,965 17.579,966 8.673,967 13.122,968 -1,969 16.344,970 -0.847,971 10.125,972 12.327,973 3.635,974 20.122,975 9.907,976 3.332,977 -1,978 18.209,979 -2,980 11.184,981 13.608,983 22.46,984 10.928,985 2.93,986 11.856,987 20.084,988 -2.683,989 12.382,990 15.117,991 4.335,992 24.946,993 12.104,994 2.6,995 9.955,996 21.967,997 4.359,998 13.51,999 16.486,1001 27.35,1002 13.197,1003 2.196,1004 8.565,1005 23.858,1006 3.902,1007 14.694,1008 17.962,1009 5.05,1010 29.818,1011 14.354,1012 2.014,1013 6.534,1014 25.755,1015 3.373,1016 15.854,1017 19.374,1019 32.253,1020 15.482,1021 1.956,1022 5.885,1023 27.657,1024 2.855,1025 17.036,1026 20.837,1027 5.77,1028 34.717,1029 16.636,1030 1.547,1031 5.124,1032 29.563,1033 2.612,1034 18.212,1035 22.273,1037 37.168,1038 17.781,1039 4557,1040 9573,1041 15.838,1042 22.989,1043 39.448,1044 40.463,1045 40.368,1046 38.002,1047 37.981,1048 49.903,1049 4.593,1050 116.043,1051 36.822,1052 5.582,1053 5.652,1054 6.29,1055 5.4,1056 5.332,1057 7.359,1058 2.873,1059 19.605,1060 5.237,1061 14.359,1062 1.578,1063 1.619,1064 1.615,1065 1.52,1066 1.519,1067 1.996,1068 0.184,1069 4.642,1070 1.473,1071 4.052,1072 4.053,1073 4.03,1074 3.979,1075 7.476,1076 3.989,1077 3.756,1078 3.762,1079 3.719,1080 3.665,1081 7.43,1082 3.674,1083 3.598,1084 3.602,1085 3.545,1086 3.443,1087 6.53,1088 3.461,1089 3.197,1090 3.182,1091 3.168,1092 2.991,1093 6.46,1094 3.031,1095 3.109,1096 3.122,1097 3.034,1098 2.923,1099 6.401,1100 2.945,1101 2.927,1102 2.95,1103 2.821,1104 2.718,1105 6.351,1106 2.737,1107 2.787,1108 2.801,1109 2.679,1110 2.5,1111 4.813,1112 2.538,1113 2.678,1114 2.675,1115 2.615,1116 2.41,1117 4.303,1118 2.463,1119 0.188,1120 0.146,1121 0.279,1122 0.172,1123 0.133,1124 4.706,1125 0.174,1126 3.652,1127 0.057,1128 6.982,1129 0.474,1130 4.303,1131 0.129,1132 3.332,1133 4.359,1134 1.437,1135 11.856,1136 3.237,1137 1.992,1138 1.989,1139 2.042,1140 2.08,1141 1.202,1142 2.065,1143 1.716,1144 1.706,1145 1.803,1146 1.833,1147 0.89,1148 1.819,1149 1.523,1150 1.509,1151 1.653,1152 1.711,1153 0.649,1154 1.683,1155 1.06,1156 1.064,1157 1.195,1158 1.31,1159 0.233,1160 1.251,1161 1.019,1162 1.005,1163 1.129,1164 1.261,1165 0.107,1166 1.233,1167 0.836,1168 0.811,1169 1.037,1170 1.125,1171 0.021,1172 1.096,1173 0.625,1174 0.613,1175 0.859,1176 1.01,1178 0.964,1179 0.531,1180 0.526,1181 0.735,1182 0.877,1184 0.818,1185 3.932,1186 5.293,1188 6.864,1190 8.541,1192 10.278,1199 38.218,1202 5.376,1209 23.638,1210 49.594,1211 114.2,1212 144.465,1213 162.465,1214 166.465,1215 166.465,1216 63.76,1217 7.212,1218 128.2,1219 128.2,1220 18,1221 12.642,1222 3.7,1223 3.322,1224 36.363,1225 65,1226 66,1227 0.289,1228 143.695,1229 275.15,1230 342.375,1231 11226,1233 16.723,1234 0.727,1235 0.499,1236 16.723,1237 11.478,1238 10.897,1239 0.436,1240 0.258,1241 6.326,1242 10.379,1243 6.255,1244 5.125,1245 10.897,1246 6.443,1247 10.354,1248 0.28,1249 0.129,1250 10.354,1251 4.786,1252 8.878,1253 0.174,1254 0.066,1255 8.878,1256 3.382,1257 6.916,1258 0.102,1259 0.034,1260 6.916,1261 2.326,1262 6.059,1263 0.063,1264 0.017,1265 6.059,1266 1.668,1267 0.426,1268 69.661,1269 0.251,1270 21.66,1271 0.888,1272 124,1273 489.805,1274 141.05,1275 460.711,1276 603.76,1277 422,1278 150,1279 429.667,1280 167.053,1281 428.534,1282 632.9,1283 403,1284 5.564}
{0 CHEMBL6246,1 1.493,2 6.818,3 1.483,4 2.199,5 68.465,6 10.793,7 0.48,8 3.588,9 3.593,10 3.399,11 3.091,12 5.072,13 3.196,14 4.013,15 4.006,16 3.882,17 3.518,18 5.599,19 3.626,20 4.317,21 4.321,22 4.108,23 3.676,24 6.045,25 3.803,26 4.42,27 4.458,28 4.053,29 3.588,30 6.037,31 3.742,32 4.297,33 4.324,34 3.982,35 3.355,36 6.271,37 3.532,38 3.99,39 4.032,40 3.516,41 2.935,42 6.042,43 3.09,44 3.592,45 3.697,46 2.742,47 2.382,48 5.447,49 2.476,50 2.976,51 3.107,52 2.102,53 1.721,54 4.865,55 1.779,56 0.458,57 0.338,58 2.171,59 2.521,60 64.103,61 1.298,62 0.675,63 0.523,64 1.965,65 3.914,66 79.596,67 2.392,68 1.053,69 0.697,70 3.807,71 5.233,72 136.639,73 3.222,74 1.331,75 0.762,76 8.238,77 5.776,78 173.557,79 3.403,80 1.35,81 0.653,82 7.818,83 4.958,84 182.067,85 3.593,86 1.016,87 0.479,88 5.136,89 3.656,90 163.405,91 2.415,92 0.723,93 0.326,94 5.67,95 2.574,96 124.797,97 1.793,98 0.405,99 0.173,100 3.699,101 1.412,102 65.794,103 1.326,104 37,105 40,106 0.282,107 0.575,108 0.666,109 0.693,110 0.72,111 0.72,112 3.151,113 0.723,114 -1.57,115 -1.64,116 -1.68,118 50,131 2,132 4,133 6,142 2,154 5,156 2,157 6,162 2,164 4,169 10,172 2,173 2,174 6,176 3,180 4,183 2,185 6,187 2,191 3,192 2,194 6,196 4,199 1,204 2,207 6,209 4,216 1,221 1,222 2,233 2,246 1,253 448,254 14.361,255 14.361,256 14.361,257 14.361,258 14.361,259 12.526,260 13.892,261 7.776,262 14.653,263 12.259,264 12.259,265 12.259,266 12.259,267 12.259,268 9.312,269 12.619,270 3.659,271 12.795,272 3.315,273 1.768,274 1.286,275 1.143,276 1,277 1,278 3.839,281 1,282 1,283 328,284 2.449,286 126.674,289 267.514,290 132.897,291 0.926,292 55.58,295 1,296 0.83,297 1,298 0.4,300 0.83,301 1,302 0.72,303 52,304 150,305 4.813,306 3.866,307 7.248,308 4.447,309 3.471,310 4.573,311 1.674,312 12.894,313 3.385,314 4.367,315 3.653,316 6.581,317 3.943,318 2.981,319 4.068,320 1.674,321 10.302,322 2.874,323 3.989,324 3.235,325 6.133,326 3.646,327 2.678,328 3.345,330 8.79,331 2.558,332 3.863,333 3.174,334 6.053,335 3.474,336 2.518,337 3.285,339 8.297,340 2.393,341 3.49,342 2.62,343 5.571,344 3.108,345 2.115,346 2.781,348 6.899,349 2.086,350 3.271,351 2.298,352 5.346,353 2.864,354 1.928,355 2.525,357 6.167,358 1.791,359 3.121,360 2.213,361 4.945,362 2.715,363 1.778,364 2.246,365 5.348,366 1.642,367 2.757,368 1.901,369 4.321,370 2.259,371 1.286,372 1.771,373 3.597,374 1.231,375 1.682,376 1.29,377 3.479,378 1.396,379 0.531,380 0.582,382 1.338,383 0.453,384 1.608,385 1.26,386 3.361,387 1.204,388 0.243,389 0.291,391 0.61,392 0.217,393 1.552,394 0.946,395 3.218,396 1.161,397 0.218,398 0.282,400 0.573,401 0.21,402 1.126,403 0.389,404 3.077,405 0.724,406 -0.221,407 -0.284,409 -0.67,410 -0.207,411 0.69,412 0.1,413 2.546,414 0.21,415 -0.715,416 -0.856,418 -2.022,419 -0.652,420 0.581,421 -0.246,422 2.342,423 0.207,424 -0.814,425 -1.002,427 -2.036,428 -0.796,429 0.236,430 -0.526,431 2.205,433 -0.903,434 -1.15,436 -2.613,437 -0.822,438 9.667,439 0.439,440 0.861,441 0.039,442 33,443 1.5,444 18,445 0.818,446 15,447 0.682,448 13.553,449 0.616,450 23.333,451 0.833,452 26.67,453 1.212,454 6.614,455 0.301,456 3.782,457 0.172,458 0.207,460 0.621,462 1.05,463 0.75,464 0.697,465 0.698,466 0.956,467 0.513,468 0.706,469 0.966,470 0.424,471 0.937,472 0.624,473 0.689,474 0.822,475 1.086,476 0.648,477 1.07,478 0.753,479 0.897,480 1.282,481 1.049,482 1.084,483 1.018,484 1.206,485 0.927,486 0.834,487 1.028,488 0.798,489 1.029,490 0.872,491 0.965,492 0.987,493 1.224,494 1.313,495 1.272,496 1.176,497 1.45,498 1.404,499 1.025,500 1.969,501 1.087,502 1.559,503 1.554,504 1.009,505 0.959,506 1.722,507 1.048,508 1.056,509 1.551,510 5,512 3.556,513 2.25,514 3.182,515 1.306,516 0.764,517 0.181,518 0.066,520 3891,521 17383,522 2.065,523 21.4,525 2,528 4,531 1.658,532 1.833,533 2.747,534 1.959,536 1,538 1,540 41.793,541 1.493,542 3.039,543 3.522,544 3.664,545 3.807,546 3.807,547 2.118,548 3.278,549 4.437,550 2.781,551 642.429,552 7.684,553 6538.79,554 1,555 1,557 1,558 134.606,559 1.435,560 4.343,561 0.2,563 0.089,564 0.047,565 0.072,566 0.034,567 0.035,568 0.02,569 0.016,571 0.514,572 0.33,573 1,574 0.714,575 95.331,576 -0.281,577 0.224,578 -0.158,579 0.252,580 -0.252,581 0.236,582 0.031,584 0.067,585 0.004,586 0.014,587 0.035,588 0.024,589 -0.125,590 0.006,591 -0.131,592 0.024,593 -0.113,594 -0.306,595 -0.087,596 -0.158,597 -0.063,598 -0.293,599 -0.004,600 0.24,601 -0.066,602 0.222,603 -0.076,604 0.198,605 -0.027,606 0.115,607 -0.269,608 -0.197,609 -0.319,610 0.12,611 -0.458,612 -0.273,613 -0.065,614 -0.505,615 -0.089,616 -0.215,617 -0.292,618 0.128,619 0.002,620 -0.036,621 -0.022,622 0.12,623 -0.111,624 2.608,625 4.996,626 0.727,627 11.372,628 1.081,629 1.104,630 0.342,631 0.117,632 0.711,633 3.258,634 3.714,635 4.111,636 4.489,637 4.905,638 5.13,639 5.313,640 5.476,641 5.642,642 5.609,643 4.078,644 0.761,645 302.2,646 3.258,647 4.875,648 5.802,649 6.756,650 7.707,651 8.665,652 9.622,653 10.581,654 11.54,655 12.5,667 2,672 10,674 12,681 2,685 4,688 28,689 14,690 2,691 25,693 31,694 14,695 12,696 10,697 2,698 2,700 4,701 14,710 14,714 2,717 2,719 2,722 1,725 6,726 8,727 4,728 8,734 0.25,735 8,744 4,747 5,748 2,757 1,765 22,768 4,771 2,782 28.6,784 4,785 2,787 2,789 12,790 5.133,791 4.556,792 1.471,794 2.743,795 1.352,796 0.911,797 2.44,798 10.546,799 3.526,800 4.248,801 4.924,802 5.588,803 6.276,804 6.727,805 7.146,806 7.539,807 7.974,808 8.224,809 0.8,810 48,811 8.272,813 4.106,814 8.636,815 14.167,817 12.297,819 3.136,820 69,823 23.542,824 56.564,827 243.023,830 56.564,831 266.565,835 18.952,836 235.406,837 45.229,839 23.542,841 23.542,842 56.564,843 243.023,846 23.542,847 243.023,850 56.564,853 23.542,854 243.023,855 56.564,858 23.542,859 37.612,860 18.952,862 243.023,863 23.542,864 243.023,865 56.564,867 0.62,868 0.391,869 0.216,870 0.139,871 24,872 12,875 5,876 1.5,877 3.099,878 203.92,879 0.625,880 14,881 76.107,884 13.237,885 4.056,886 1.541,888 243.023,889 1.929,894 -3.837,896 170.733,897 323.13,898 33,901 23.992,903 -1.882,905 30.269,906 30.921,907 0.31,908 0.632,909 0.733,910 0.762,911 0.792,912 0.792,913 4.844,914 1.286,915 5.866,916 5.348,917 4.394,918 4.934,919 2.503,920 6.825,921 4.312,922 6.128,923 0.531,924 7.527,925 3.597,926 4.29,927 5.075,929 7.966,930 4.179,931 7.505,932 0.243,933 9.281,934 1.338,935 6.142,936 7.257,937 3.479,938 11.161,939 5.999,940 8.913,941 0.218,942 11.085,943 0.61,944 6.781,945 8.134,947 13.085,948 6.61,949 10.347,950 -0.221,951 12.921,952 0.573,953 8.191,954 9.878,955 4.49,956 15.839,957 7.997,958 11.802,959 -0.715,960 14.779,961 -0.67,962 9.155,963 11.084,965 18.116,966 8.935,967 13.274,968 -0.814,969 16.653,970 -2.022,971 10.422,972 12.672,973 5.514,974 20.722,975 10.18,976 3.471,977 -0.903,978 18.541,979 -2.036,980 11.531,981 14.034,983 23.156,984 11.265,985 2.981,986 12.894,987 20.44,988 -2.613,989 12.755,990 15.564,991 6.542,992 25.716,993 12.469,994 2.678,995 10.302,996 22.349,997 4.573,998 13.928,999 16.999,1001 28.218,1002 13.619,1003 2.518,1004 8.79,1005 24.266,1006 4.068,1007 15.146,1008 18.509,1009 7.572,1010 30.767,1011 14.816,1012 2.115,1013 8.297,1014 26.191,1015 3.345,1016 16.35,1017 19.98,1019 33.297,1020 15.996,1021 1.928,1022 6.899,1023 28.122,1024 3.285,1025 17.571,1026 21.485,1027 8.603,1028 35.845,1029 17.196,1030 1.778,1031 6.167,1032 30.059,1033 2.781,1034 18.79,1035 22.974,1037 38.388,1038 18.392,1039 3819,1040 8146,1041 15.956,1042 19.92,1043 39.987,1044 42.634,1045 42.112,1046 39.49,1047 39.497,1048 51.495,1049 6.698,1050 129.63,1051 37.683,1052 5.702,1053 5.866,1054 6.172,1055 5.55,1056 5.471,1057 7.573,1058 3.349,1059 20.603,1060 5.385,1061 13.373,1062 1.599,1063 1.705,1064 1.684,1065 1.58,1066 1.58,1067 2.06,1068 0.268,1069 5.185,1070 1.507,1071 4.1,1072 4.092,1073 4.09,1074 4.017,1075 7.435,1076 4.033,1077 3.74,1078 3.74,1079 3.712,1080 3.65,1081 7.43,1082 3.663,1083 3.402,1084 3.362,1085 3.397,1086 3.128,1087 6.534,1088 3.195,1089 3.221,1090 3.198,1091 3.192,1092 2.982,1093 6.523,1094 3.029,1095 2.893,1096 2.903,1097 2.833,1098 2.732,1099 6.401,1100 2.75,1101 2.712,1102 2.695,1103 2.674,1104 2.406,1105 6.401,1106 2.464,1107 2.692,1108 2.684,1109 2.605,1110 2.383,1111 4.747,1112 2.445,1113 2.566,1114 2.57,1115 2.465,1116 2.168,1117 4.365,1118 2.244,1119 0.193,1120 0.155,1121 0.29,1122 0.178,1123 0.139,1124 4.813,1125 0.183,1126 3.866,1127 0.067,1128 7.248,1129 0.516,1130 4.447,1131 0.135,1132 3.471,1133 4.573,1134 1.674,1135 12.894,1136 3.385,1137 2.023,1138 2.028,1139 2.046,1140 2.122,1141 1.237,1142 2.093,1143 1.69,1144 1.687,1145 1.749,1146 1.808,1147 0.88,1148 1.785,1149 1.194,1150 1.224,1151 1.223,1152 1.499,1153 0.154,1154 1.403,1155 1.052,1156 1.065,1157 1.136,1158 1.349,1159 0.153,1160 1.27,1161 0.81,1162 0.797,1163 0.972,1164 1.063,1166 1.025,1167 0.517,1168 0.509,1169 0.743,1170 0.943,1172 0.871,1173 0.481,1174 0.508,1175 0.641,1176 0.848,1178 0.759,1179 0.341,1180 0.335,1181 0.603,1182 0.814,1184 0.757,1185 3.932,1186 5.352,1188 6.987,1190 8.731,1192 10.537,1199 38.931,1202 9.867,1209 21.299,1210 41.793,1211 85.096,1212 98.606,1213 102.606,1214 106.606,1215 106.606,1216 59.511,1217 7.803,1218 141.34,1219 141.34,1220 24,1221 12.983,1222 3.907,1223 3.17,1224 29.481,1225 57,1226 46,1227 0.287,1228 124.04,1229 228.72,1230 294.419,1231 22345,1233 15.757,1234 0.716,1235 0.481,1236 15.757,1237 10.577,1238 10.397,1239 0.416,1240 0.241,1241 5.88,1242 9.777,1243 5.851,1244 4.731,1245 10.397,1246 6.024,1247 10.38,1248 0.26,1249 0.119,1250 10.38,1251 4.771,1252 9.605,1253 0.16,1254 0.059,1255 9.605,1256 3.55,1257 8.099,1258 0.092,1259 0.029,1260 8.099,1261 2.581,1262 7.782,1263 0.058,1264 0.014,1265 7.782,1266 1.933,1267 0.412,1268 67.478,1269 0.25,1270 20.245,1271 0.927,1272 130,1273 533.541,1274 151.479,1275 494.387,1276 657.32,1277 454,1278 165,1279 481.939,1280 187.368,1281 476.528,1282 718.68,1283 448,1284 4.002}