@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5494

@attribute molecule_id {CHEMBL18840,CHEMBL222188,CHEMBL222477,CHEMBL225571,CHEMBL243744,CHEMBL243954,CHEMBL243955,CHEMBL244161,CHEMBL282199,CHEMBL492480,CHEMBL494709,CHEMBL522691}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.040 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PP numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.80 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.80 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.068 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute N.076 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaasC numeric
@attribute nAB numeric
@attribute nArCN numeric
@attribute nArCONH2 numeric
@attribute nArNHR numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOH numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nCp numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdO numeric
@attribute NdssC numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nN numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nPyridines numeric
@attribute nPyrroles numeric
@attribute nPyrrolidines numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRNH2 numeric
@attribute nRNR2 numeric
@attribute NRS numeric
@attribute nS numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO2N numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute nTB numeric
@attribute NtN numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.061 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_0d numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaasC numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SddsN numeric
@attribute SddssS numeric
@attribute SdO numeric
@attribute SdssC numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.56,2 6.267,3 0.553,4 0.306,5 58.953,6 7.26,7 0.625,8 3.433,9 3.579,10 2.953,11 2.954,12 4.613,13 2.937,14 3.9,15 4.072,16 3.282,17 3.346,18 5.078,19 3.293,20 4.124,21 4.338,22 3.272,23 3.424,24 5.215,25 3.34,26 4.129,27 4.356,28 3.131,29 3.341,30 5.208,31 3.238,32 4.049,33 4.319,34 2.917,35 3.129,36 5.067,37 3.003,38 3.832,39 4.098,40 2.734,41 2.847,42 4.985,43 2.735,44 3.632,45 3.916,46 2.094,47 2.468,48 4.756,49 2.314,50 3.256,51 3.599,52 1.614,53 1.911,54 4.536,55 1.706,56 0.05,57 0.43,58 6.007,59 2.227,60 11.07,61 3.142,62 0.099,63 0.641,64 10.026,65 4.045,66 22.959,67 5.685,68 0.109,69 0.726,70 13.431,71 4.996,72 25.75,73 7.124,74 0.131,75 0.705,76 13.759,77 4.671,78 26.723,79 6.849,80 0.142,81 0.605,82 13.335,83 4.252,84 25.433,85 6.47,86 0.159,87 0.476,88 10.768,89 3.158,90 23.711,91 4.913,92 0.176,93 0.343,94 9.359,95 2.187,96 35.785,97 3.455,98 0.188,99 0.203,100 6.844,101 1.592,102 38.107,103 2.6,104 15,105 22,106 0.304,107 0.712,108 0.848,109 0.882,110 0.882,111 0.882,112 2.796,113 0.904,114 -2.04,115 -2.09,116 -2.08,117 39.3,119 1,122 1,124 3,125 3,128 1,129 1,130 1,131 2,132 2,133 2,135 6,137 1,138 1,139 1,140 5,141 6,142 2,144 2,146 6,147 5,148 3,150 2,151 4,152 3,153 3,154 1,156 1,157 2,158 1,159 1,160 2,162 1,163 1,164 1,165 3,166 1,168 3,172 1,174 1,176 1,177 1,178 1,180 2,182 1,188 210,189 10.077,190 10.077,191 10.077,192 10.077,193 10.077,194 8.803,195 6.212,196 5.995,197 10.129,198 7.848,199 7.848,200 7.848,201 7.848,202 7.848,203 5.86,204 3.822,205 2.732,206 7.932,207 3.247,208 1.156,209 0.456,210 0.286,211 0.286,212 0.286,213 3.44,216 1,217 191,218 2.646,219 29.378,220 33.706,221 53.12,223 0.987,224 14.762,226 1,227 1,228 1,229 0.6,231 0.8,232 32.5,233 94,234 4.562,235 3.509,236 6.558,237 4.097,238 3.107,239 4.512,240 0.98,241 10.396,242 3.076,243 3.98,244 3.124,245 5.87,246 3.626,247 2.616,248 3.425,250 7.998,251 2.632,252 3.378,253 2.247,254 5.122,255 2.989,256 2.002,257 2.71,259 5.963,260 1.973,261 2.901,262 1.859,263 4.202,264 2.378,265 1.39,266 2.019,268 3.66,269 1.365,270 2.665,271 1.387,272 3.772,273 2.248,274 1.249,275 1.69,277 2.858,278 1.243,279 2.285,280 1.134,281 3.299,282 1.969,283 1,284 1.227,285 1.992,286 0.965,287 1.942,288 0.718,289 3.017,290 1.539,291 0.577,292 0.775,293 1.202,294 0.553,295 0.954,296 0.159,297 2.331,298 0.619,299 -0.344,300 -0.404,301 -0.622,302 -0.33,303 0.672,304 -0.124,305 2,306 0.248,307 -0.745,308 -0.958,309 -1.731,310 -0.733,311 0.482,312 -0.685,313 2,314 0.064,315 -0.934,316 -1.312,317 -2,318 -0.917,319 0.367,320 -0.907,321 1.699,322 0.027,323 -1,324 -1.382,325 -2.674,326 -1.036,327 -0.085,328 -1.301,329 1.366,330 -0.48,331 -1.446,332 -1.746,333 -3.915,334 -1.394,335 -0.306,336 -1.582,337 1,338 -0.653,339 -1.649,340 -2.174,341 -4.916,342 -1.65,343 -0.5,344 -1.734,345 0.857,346 -0.89,347 -1.882,348 -2.531,349 -5.382,350 -1.842,351 -0.581,352 -1.925,353 0.674,354 -0.981,355 -1.941,356 -2.852,357 -6.173,358 -1.906,359 7.033,360 0.469,361 0.366,362 0.024,363 18.75,364 1.25,365 9.5,366 0.633,367 9.25,368 0.617,369 9.34,370 0.623,371 16.367,372 0.585,373 11.764,374 0.784,375 3.88,376 0.259,377 3.34,378 0.223,379 0.161,381 0.355,382 0.97,383 1.02,384 0.886,385 0.844,386 0.86,387 0.827,388 0.58,389 1.063,390 0.826,391 1.025,392 0.498,393 0.971,394 0.867,395 1.079,396 0.922,397 1.065,398 0.826,399 1.018,400 1.015,401 1.175,402 1.121,403 1.192,404 0.937,405 1.176,406 0.793,407 1.072,408 0.943,409 1.092,410 0.799,411 1.05,412 0.794,413 1.142,414 0.974,415 1.171,416 0.862,417 1.109,418 1.902,419 0.978,420 1.425,421 0.989,422 2.024,423 1.115,424 1.157,425 0.445,426 0.94,427 0.584,428 1.309,429 0.718,430 3,432 2,433 0.979,434 0.693,435 0.549,436 0.253,437 0.09,440 1435,441 4254,442 1.993,443 46.4,445 5,446 1,448 5,450 2,452 1.534,453 1.837,454 2.698,455 3.198,458 1,459 43.692,460 1.56,461 3.651,462 4.352,463 4.522,464 4.522,465 4.522,466 2.182,467 3.374,468 3.875,469 2.76,470 289.838,471 6.513,472 2344.58,473 1,475 134.606,476 1.506,477 3.82,478 0.188,480 0.091,481 0.047,482 0.041,483 0.042,484 0.025,485 0.023,488 0.456,489 0.5,490 1,491 1.373,492 57.741,493 -0.205,494 0.235,495 -0.03,496 0.207,497 -0.181,498 0.142,499 0.096,500 0.065,501 0.039,502 0.055,503 0.128,504 0.043,505 -0.064,506 -0.075,507 -0.009,508 -0.024,509 -0.016,510 -0.011,511 -0.135,512 -0.18,513 -0.191,514 -0.199,515 -0.096,516 -0.203,517 0.046,518 -0.163,519 0.026,520 -0.138,521 0.004,522 -0.073,523 0.213,524 -0.223,525 0.018,526 -0.26,527 0.104,528 -0.169,529 -0.395,530 -0.129,531 -0.361,532 -0.155,533 -0.39,534 -0.24,535 0.26,536 0.274,537 0.184,538 0.22,539 0.262,540 0.185,541 2.072,542 4.023,543 0.6,544 8.267,545 1.002,546 1.135,547 0.81,548 0.656,549 0.653,550 2.833,551 3.135,552 3.401,553 3.638,554 3.807,555 3.871,556 3.85,557 3.714,558 3.332,559 2.944,560 3.872,561 0.622,562 203.27,563 2.833,564 4.344,565 5.187,566 6.061,567 6.934,568 7.817,569 8.699,570 9.585,571 10.469,572 11.356,573 10.7,574 1,578 1,579 1,583 2,584 4,586 1,587 2,588 10,590 1,596 28,597 11,598 1,599 16,600 29,601 11,602 8,603 3,604 3,605 1,606 2,607 3,609 1,612 1,614 9,615 2,617 1,620 1,621 1,623 1,624 13,625 3,626 5,627 4,629 3,630 0.5,631 1,633 1,635 1,636 1,637 1,641 1,643 1,647 15,648 2,651 2,659 3.6,661 1,663 8.167,664 4.667,665 3.417,666 1.528,667 2.208,668 1.377,669 1.013,670 2.644,671 8.063,672 3.135,673 3.767,674 4.414,675 5.038,676 5.551,677 5.93,678 6.269,679 6.494,680 6.217,681 5.983,682 1,683 21,684 5.498,685 -0.001,686 2.299,687 7.956,688 10.345,689 8.363,690 2.456,691 36.833,692 0.003,694 94.169,695 57.909,696 82.58,698 25.145,700 57.909,701 119.314,702 82.58,704 70.435,705 37.476,706 29.85,707 25.73,708 13.915,709 82.398,711 94.169,712 140.489,713 25.145,715 70.627,716 48.687,718 87.22,719 53.269,721 94.169,722 107.725,723 57.909,725 94.169,726 20.433,727 37.476,728 16.786,729 90.939,730 94.169,731 107.725,732 57.909,733 0.572,734 0.337,735 0.182,736 0.102,737 11,738 5,739 0.103,740 3,741 1,742 1.222,743 2.683,744 96.996,745 0.222,746 9,747 58.603,749 10.051,750 3.946,751 1.829,752 2.028,753 90.939,754 7.296,756 3.131,757 1.649,758 82.58,759 259.803,760 22,763 11.023,764 -0.406,765 28.051,766 31.78,767 0.325,768 0.76,769 0.905,770 0.941,771 0.941,772 0.941,773 4.337,774 -0.344,775 5.176,776 1.202,777 3.807,778 4.449,779 1.072,780 5.994,781 3.788,782 5.564,783 -0.745,784 6.744,785 -0.622,786 3.434,787 4.388,789 6.94,790 3.43,791 6.887,792 -0.934,793 8.416,794 -1.731,795 5.398,796 6.759,797 1.045,798 10.019,799 5.369,800 8.255,801 -1,802 10.146,803 -2,804 5.861,805 7.565,807 11.791,808 5.839,809 9.657,810 -1.446,811 11.914,812 -2.674,813 7.307,814 9.411,815 1.019,816 14.379,817 7.267,818 11.084,819 -1.649,820 13.705,821 -3.915,822 8.137,823 10.602,825 16.48,826 8.095,827 12.529,828 -1.882,829 15.514,830 -4.916,831 9.38,832 12.242,833 0.993,834 18.903,835 9.325,836 3.107,837 -1.941,838 17.335,839 -5.382,840 10.372,841 13.607,843 21.141,844 10.31,845 2.616,846 10.396,847 19.166,848 -6.173,849 11.538,850 15.165,851 0.967,852 23.506,853 11.463,854 2.002,855 7.998,856 21.004,857 4.512,858 12.602,859 16.607,861 25.801,862 12.517,863 1.39,864 5.963,865 22.848,866 3.425,867 13.739,868 18.132,869 0.942,870 28.147,871 13.643,872 1.249,873 3.66,874 24.697,875 2.71,876 14.836,877 19.61,879 30.468,880 14.729,881 1,882 2.858,883 26.55,884 2.019,885 15.964,886 21.123,887 0.917,888 32.808,889 15.845,890 0.577,891 1.992,892 28.406,893 1.69,894 17.078,895 22.616,897 35.14,898 16.947,899 1535,900 2688,901 10.345,902 18.279,903 24.175,904 24.562,905 25.181,906 23.867,907 23.883,908 32.717,909 1.96,910 68.14,911 23.614,912 5.277,913 5.509,914 6.324,915 5.097,916 5.107,917 7.512,918 1.96,919 17.052,920 5.076,921 7.68,922 1.511,923 1.535,924 1.574,925 1.492,926 1.493,927 2.045,928 0.122,929 4.259,930 1.476,931 4.134,932 4.166,933 4.094,934 4.054,935 7.437,936 4.06,937 3.614,938 3.665,939 3.539,940 3.471,941 5.029,942 3.477,943 3.439,944 3.522,945 3.292,946 3.196,947 4.946,948 3.211,949 3.114,950 3.194,951 2.981,952 2.885,953 4.856,954 2.895,955 2.898,956 2.989,957 2.761,958 2.662,959 4.208,960 2.684,961 2.639,962 2.769,963 2.369,964 2.323,965 3.786,966 2.318,967 2.387,968 2.481,969 2.179,970 2.152,971 3.424,972 2.144,973 2.178,974 2.28,975 1.969,976 1.734,977 3.059,978 1.758,979 0.285,980 0.219,981 0.41,982 0.256,983 0.194,984 4.562,985 0.282,986 3.509,987 0.061,988 6.558,989 0.65,990 4.097,991 0.192,992 3.107,993 4.512,994 0.98,995 10.396,996 3.076,997 1.956,998 1.937,999 2.036,1000 2.036,1001 1.234,1002 2.036,1003 1.651,1004 1.594,1005 1.854,1006 1.846,1007 1.028,1008 1.854,1009 1.334,1010 1.273,1011 1.537,1012 1.634,1013 0.558,1014 1.606,1015 1.185,1016 1.118,1017 1.385,1018 1.486,1019 0.326,1020 1.468,1021 0.858,1022 0.781,1023 1.151,1024 1.137,1025 0.132,1026 1.154,1027 0.681,1028 0.579,1029 1.059,1030 0.959,1031 0.016,1032 1.001,1033 0.487,1034 0.347,1035 0.89,1036 0.819,1038 0.849,1039 0.062,1041 0.686,1042 0.54,1044 0.576,1045 3.497,1046 4.796,1047 2.398,1048 6.297,1049 4.727,1050 7.894,1051 6.823,1052 9.543,1055 10.727,1057 1.385,1063 17.413,1064 43.692,1065 102.241,1066 121.851,1067 126.606,1068 126.606,1069 126.606,1070 21.107,1071 5.855,1072 84.9,1073 84.9,1074 11,1075 11.888,1076 3.585,1077 2.807,1078 23.49,1079 34,1080 37,1081 0.364,1082 111.242,1083 180.93,1084 263.189,1085 1939,1087 10.836,1088 0.722,1089 0.552,1090 10.836,1091 8.287,1092 7.22,1093 0.451,1094 0.301,1095 4.765,1096 6.996,1097 4.67,1098 3.886,1099 7.22,1100 4.82,1101 6.367,1102 0.289,1103 0.158,1104 6.367,1105 3.477,1106 5.205,1107 0.179,1108 0.085,1109 5.205,1110 2.466,1111 4.215,1112 0.114,1113 0.046,1114 4.215,1115 1.694,1116 3.248,1117 0.074,1118 0.025,1119 3.248,1120 1.093,1121 0.535,1122 44.991,1123 0.311,1124 14.902,1125 1.098,1126 76,1127 210.693,1128 81.656,1129 209.58,1130 283.24,1131 194,1132 89,1133 205.876,1134 93.992,1135 211.177,1136 306.57,1137 199,1138 6.201}
{0 CHEMBL222188,1 1.307,2 15.067,3 5.09,4 25.912,5 124.79,6 6.241,7 0.364,8 4.23,9 4.371,10 3.654,11 3.776,12 5.122,13 3.712,14 4.833,15 5.042,16 3.966,17 4.192,18 5.654,19 4.089,20 5.166,21 5.43,22 4.002,23 4.365,24 5.896,25 4.216,26 5.2,27 5.471,28 3.903,29 4.35,30 5.925,31 4.171,32 5.208,33 5.503,34 3.805,35 4.276,36 5.942,37 4.085,38 5.097,39 5.397,40 3.657,41 4.133,42 5.842,43 3.939,44 4.933,45 5.226,46 3.503,47 3.998,48 5.672,49 3.801,50 4.831,51 5.131,52 3.432,53 3.93,54 5.469,55 3.729,56 0.075,57 0.932,58 15.81,59 6.389,60 8.617,61 9.293,62 0.254,63 1.57,64 29.105,65 10.589,66 21.578,67 15.936,68 0.354,69 1.988,70 40.217,71 14.492,72 31.593,73 21.687,74 0.3,75 1.982,76 41.208,77 15.465,78 33.271,79 22.871,80 0.341,81 1.905,82 41.536,83 15.085,84 41.415,85 22.399,86 0.323,87 1.668,88 37.222,89 13.372,90 41.061,91 19.793,92 0.355,93 1.425,94 31.622,95 11.634,96 37.795,97 17.019,98 0.188,99 1.31,100 28.078,101 10.853,102 19.156,103 15.999,104 2,105 43,106 0.21,107 0.472,108 0.659,109 0.815,110 0.853,111 0.858,112 3.439,113 1.063,114 -5.03,115 -4.93,116 -4.62,117 40,119 7,122 5,123 1,124 9,125 2,126 1,130 1,135 16,137 4,139 1,140 3,141 17,143 1,144 4,146 4,147 12,150 5,151 4,152 7,154 8,157 2,159 7,162 6,167 8,169 1,170 3,171 1,173 11,175 1,181 11,184 2,187 9,188 1524,189 20.897,190 20.897,191 20.897,192 20.897,193 20.897,194 19.289,195 24.997,196 12.904,197 21.151,198 16.352,199 16.352,200 16.352,201 16.352,202 16.352,203 13.965,204 32.277,205 6.177,206 16.754,207 4.715,208 3.083,209 1.917,210 0.948,211 0.708,212 0.677,213 4.144,216 1,217 994,218 3.464,220 408.272,222 155.646,223 2.333,224 17.067,226 1,227 1,228 1,229 1,230 1,231 1,232 62.5,233 452,234 4.313,235 3.614,236 6.513,237 4.032,238 3.042,239 3.872,240 1.909,241 10.232,242 3.013,243 4.081,244 3.242,245 6.143,246 3.809,247 2.87,248 3.55,249 0.8,250 9.054,251 2.698,252 3.682,253 3.139,254 5.333,255 3.408,256 2.443,257 2.866,258 0.8,259 6.919,260 2.4,261 3.518,262 2.736,263 5.327,264 3.366,265 2.394,266 2.581,267 0.561,268 6.762,269 2.272,270 3.179,271 2.326,272 4.855,273 2.957,274 1.958,275 2.316,277 5.416,278 1.951,279 3.117,280 1.955,281 4.448,282 2.805,283 1.834,284 2.259,285 4.523,286 1.776,287 2.943,288 1.711,289 4.135,290 2.618,291 1.618,292 2.101,293 3.77,294 1.618,295 2.66,296 1.695,297 3.692,298 2.553,299 1.558,300 1.67,301 3.265,302 1.546,303 2.561,304 1.305,305 3.588,306 2.27,307 1.27,308 1.569,309 2.825,310 1.269,311 2.5,312 1.27,313 3.499,314 2.153,315 1.173,316 1.5,317 2.701,318 1.147,319 2.455,320 1.146,321 3.414,322 2,323 1,324 1.443,325 2.275,326 1,327 2.146,328 1.07,329 3.328,330 1.967,331 1,332 1.091,333 2.136,334 0.965,335 2,336 1.005,337 3.247,338 1.907,339 0.921,340 1,341 2.128,342 0.907,343 1.836,344 1,345 3.074,346 1.735,347 0.738,348 0.787,349 1.622,350 0.733,351 1.139,352 0.535,353 2.694,354 1.035,355 0.066,356 0.068,357 0.157,358 0.063,359 14.533,360 0.484,361 0.465,362 0.016,363 32.75,364 1.092,365 14,366 0.467,367 18.75,368 0.625,369 29.787,370 0.993,371 33.467,372 0.515,373 21.043,374 0.701,375 5.976,376 0.199,377 8.816,378 0.294,379 0.023,381 0.227,382 0.8,383 1.406,384 0.971,385 1.187,386 0.552,387 1.104,388 1.017,389 1.231,390 1.11,391 1.12,392 0.571,393 1.112,394 1.188,395 0.98,396 1.066,397 0.972,398 0.974,399 0.998,400 1.047,401 1.117,402 1.083,403 1.114,404 1.059,405 1.103,406 1.193,407 0.961,408 1,409 0.971,410 1.288,411 0.971,412 1.328,413 0.927,414 0.988,415 0.938,416 1.514,417 0.94,418 1.256,419 0.868,420 1.029,421 0.933,422 1.599,423 0.967,424 0.743,425 0.969,426 0.913,427 0.987,428 0.767,429 0.968,430 4,431 0.095,432 2.667,433 1.25,434 0.929,435 0.66,436 0.362,437 0.236,438 0.131,439 0.093,440 15551,441 29446,442 2.148,443 53.8,444 8,445 20,448 1,449 2,450 4,452 1.717,453 2.093,454 3.832,455 -0.448,459 84.963,460 1.307,461 2.94,462 4.106,463 5.075,464 5.315,465 5.345,466 3.216,467 4.215,468 4.884,469 4.05,470 1761.89,471 8.453,472 27487.7,475 391.454,476 0.982,477 4.873,478 0.121,479 0.005,480 0.062,481 0.029,482 0.025,483 0.02,484 0.013,485 0.01,486 0.006,487 0.004,488 0.295,489 0.33,490 1,491 0.327,492 160.888,493 0.034,494 -0.149,495 0.067,496 -0.031,497 0.034,498 0.01,499 0.019,500 -0.062,501 -0.078,502 -0.078,503 0.055,504 -0.083,505 -0.083,506 0.064,507 -0.057,508 0.008,509 -0.062,510 -0.017,511 -0.054,512 -0.125,513 -0.097,514 -0.123,515 -0.048,516 -0.115,517 -0.049,518 -0.016,519 -0.013,520 -0.017,521 -0.029,522 -0.011,523 -0.056,524 -0.003,525 0.004,526 0.005,527 -0.02,528 0.009,529 0.03,530 0.062,531 -0.035,532 0.021,533 -0.053,534 -0.01,535 0.035,536 -0.039,537 0.043,538 -0.01,539 0.007,540 0.014,541 1.451,542 5.43,543 0.733,544 33.84,545 0.981,546 1.128,547 3.798,548 14.426,549 0.641,550 3.526,551 3.784,552 4.025,553 4.248,554 4.454,555 4.394,556 4.454,557 4.477,558 4.466,559 4.344,560 8.894,561 0.588,562 405.64,563 3.526,564 5.03,565 5.855,566 6.698,567 7.537,568 8.387,569 9.232,570 10.084,571 10.932,572 11.787,573 4.6,575 1,577 1,578 1,584 9,587 3,588 12,593 1,596 65,597 13,598 2,599 33,600 68,601 26,602 12,603 3,604 9,606 4,607 5,610 4,612 8,614 13,615 13,617 1,620 1,621 1,624 35,625 4,626 1,627 4,629 3,630 0.75,631 1,636 4,638 1,639 1,642 1,643 3,647 30,651 12,652 1,653 1,654 2,659 1.5,661 1,663 14.333,664 11.15,665 6.75,666 4.411,667 1.92,668 1.253,669 0.977,670 7.687,671 9.504,672 3.714,673 4.159,674 4.6,675 5.043,676 5.478,677 5.38,678 5.578,679 5.701,680 5.818,681 5.659,682 0.9,683 43,684 11.196,686 4.67,687 7.417,688 22.551,689 19.032,690 1.917,691 57.5,694 400.217,695 127.389,696 24.259,698 25.145,700 127.389,701 425.362,702 24.259,704 46.281,705 85.286,706 29.85,707 15.377,709 400.217,711 400.217,712 151.648,713 25.145,715 353.133,716 72.229,718 49.405,719 102.243,721 400.217,722 49.404,723 127.389,725 400.217,726 42.103,727 91.535,728 18.011,729 25.145,730 400.217,731 49.404,732 127.389,733 0.561,734 0.323,735 0.179,736 0.098,737 19,738 7,739 0.118,740 8,741 1,742 1.091,743 4.483,744 245.069,745 0.091,746 22,747 139.207,749 21.24,750 10.858,751 6.016,753 49.404,754 19.279,757 4.067,758 18.011,759 577.011,760 40,763 12.43,764 0.216,765 63.77,766 73.348,767 0.217,768 0.488,769 0.682,770 0.843,771 0.882,772 0.888,773 4.927,774 1.558,775 5.784,776 3.77,777 4.466,778 4.844,779 2.253,780 6.515,781 4.418,782 6.041,783 1.27,784 7.283,785 3.265,786 3.761,787 4.27,788 1.738,789 7.261,790 3.664,791 7.285,792 1.173,793 8.886,794 2.825,795 5.969,796 6.794,797 2.97,798 10.363,799 5.861,800 8.558,801 1,802 10.558,803 2.701,804 6.155,805 7.089,806 3.061,807 12.026,808 5.998,809 9.871,810 1,811 12.275,812 2.275,813 7.751,814 9.064,815 4.055,816 14.604,817 7.586,818 11.208,819 0.921,820 14.024,821 2.136,822 8.385,823 9.797,824 4.419,825 16.637,826 8.181,827 12.567,828 0.738,829 15.798,830 2.128,831 9.702,832 11.509,833 5.26,834 19.037,835 9.486,836 3.042,837 0.066,838 17.589,839 1.622,840 10.566,841 12.483,842 5.758,843 21.225,844 10.322,845 2.87,846 10.232,847 19.393,848 0.157,849 11.753,850 14.049,851 6.511,852 23.564,853 11.497,854 2.443,855 9.054,856 21.207,857 3.872,858 12.733,859 15.163,860 7.078,861 25.818,862 12.457,863 2.394,864 6.919,865 23.03,866 3.55,867 13.863,868 16.643,869 7.782,870 28.136,871 13.576,872 1.958,873 6.762,874 24.859,875 2.866,876 14.9,877 17.843,878 8.386,879 30.421,880 14.599,881 1.834,882 5.416,883 26.694,884 2.581,885 16.007,886 19.27,887 9.064,888 32.733,889 15.696,890 1.618,891 4.523,892 28.533,893 2.316,894 17.074,895 20.523,896 9.687,897 35.033,898 16.751,899 14400,900 19905,901 22.94,902 41.654,903 48.047,904 48.678,905 48.397,906 47.776,907 47.77,908 57.345,909 8.14,910 127.569,911 46.713,912 5.313,913 5.614,914 6.315,915 5.1,916 5.042,917 6.872,918 3.31,919 17.059,920 5.013,921 7.158,922 1.456,923 1.475,924 1.467,925 1.448,926 1.448,927 1.738,928 0.247,929 3.866,930 1.416,931 4.024,932 4.063,933 3.949,934 3.953,935 7.429,936 3.947,937 3.949,938 3.998,939 3.872,940 3.85,941 4.774,942 3.849,943 3.788,944 3.843,945 3.667,946 3.652,947 4.738,948 3.646,949 3.686,950 3.743,951 3.574,952 3.518,953 4.338,954 3.521,955 3.532,956 3.595,957 3.386,958 3.409,959 4.164,960 3.394,961 3.424,962 3.488,963 3.274,964 3.24,965 4.053,966 3.241,967 3.182,968 3.268,969 3.015,970 3.011,971 3.855,972 2.999,973 3.111,974 3.206,975 2.876,976 2.941,977 3.754,978 2.91,979 0.131,980 0.11,981 0.197,982 0.122,983 0.092,984 4.313,985 0.117,986 3.614,987 0.058,988 6.513,989 0.31,990 4.032,991 0.091,992 3.042,993 3.872,994 1.909,995 10.232,996 3.013,997 1.999,998 1.969,999 2.13,1000 2.092,1001 1.433,1002 2.106,1003 1.918,1004 1.879,1005 2.063,1006 2.066,1007 1.379,1008 2.069,1009 1.781,1010 1.722,1011 1.995,1012 1.937,1013 1.268,1014 1.959,1015 1.664,1016 1.602,1017 1.886,1018 1.849,1019 1.043,1020 1.864,1021 1.546,1022 1.488,1023 1.776,1024 1.705,1025 0.938,1026 1.73,1027 1.401,1028 1.338,1029 1.662,1030 1.621,1031 0.931,1032 1.638,1033 1.18,1034 1.104,1035 1.513,1036 1.411,1037 0.825,1038 1.436,1039 1.153,1040 1.064,1041 1.465,1042 1.376,1043 0.751,1044 1.429,1045 4.205,1046 5.476,1048 6.952,1050 8.52,1052 10.138,1057 12.972,1058 3.281,1059 0.211,1060 5.044,1063 38.208,1064 84.963,1065 191.08,1066 266.876,1067 329.844,1068 345.454,1069 347.454,1070 48.112,1071 7.584,1072 35.58,1073 35.58,1074 24,1075 12.343,1076 3.807,1077 3,1078 47.688,1079 166,1080 138,1081 0.136,1082 234.485,1083 410.43,1084 563.904,1085 25943,1087 20.598,1088 0.687,1089 0.602,1090 20.598,1091 18.061,1092 14.793,1093 0.448,1094 0.354,1095 11.597,1096 14.452,1097 11.373,1098 9.394,1099 14.793,1100 11.69,1101 12.557,1102 0.292,1103 0.202,1104 12.557,1105 8.686,1106 10.446,1107 0.19,1108 0.12,1109 10.446,1110 6.576,1111 8.655,1112 0.125,1113 0.07,1114 8.655,1115 4.837,1116 7.067,1117 0.083,1118 0.041,1119 7.067,1120 3.519,1121 0.228,1122 90.93,1123 0.209,1124 29.6,1125 0.337,1126 152,1127 325.359,1128 160.764,1129 320.869,1130 444.93,1131 304,1132 174,1133 325.538,1134 183.044,1135 331.209,1136 481.13,1137 315,1138 5.097}
{0 CHEMBL222477,1 1.408,2 15.161,3 5.755,4 33.118,5 129.595,6 6.77,7 0.353,8 4.235,9 4.371,10 3.725,11 3.795,12 5.143,13 3.732,14 4.839,15 5.041,16 4.069,17 4.218,18 5.685,19 4.116,20 5.174,21 5.429,22 4.159,23 4.397,24 5.948,25 4.252,26 5.208,27 5.47,28 4.071,29 4.391,30 5.975,31 4.215,32 5.22,33 5.501,34 3.949,35 4.321,36 6.001,37 4.131,38 5.107,39 5.396,40 3.762,41 4.162,42 5.893,43 3.968,44 4.935,45 5.226,46 3.586,47 4.014,48 5.684,49 3.819,50 4.839,51 5.13,52 3.535,53 3.959,54 5.509,55 3.759,56 0.061,57 0.92,58 15.243,59 6.353,60 7.379,61 9.072,62 0.246,63 1.555,64 29.489,65 10.759,66 21.023,67 15.79,68 0.418,69 1.966,70 43.973,71 14.989,72 36.406,73 21.86,74 0.332,75 1.958,76 45.948,77 16.244,78 36.252,79 23.267,80 0.412,81 1.878,82 48.986,83 16.138,84 47.085,85 23.035,86 0.42,87 1.65,88 43.33,89 14.132,90 47.666,91 20.294,92 0.372,93 1.425,94 33.45,95 12.038,96 39.188,97 17.28,98 0.218,99 1.3,100 31.656,101 11.404,102 21.58,103 16.376,104 5,105 45,106 0.226,107 0.494,108 0.684,109 0.838,110 0.873,111 0.878,112 3.471,113 1.074,114 -5.5,115 -5.37,116 -5.02,117 40,119 7,122 5,123 1,124 8,125 2,126 2,130 1,135 15,137 3,139 1,140 3,141 16,143 1,144 5,146 4,147 13,150 5,151 4,152 8,154 7,157 2,159 7,162 7,167 8,169 1,170 3,171 1,173 10,175 1,181 11,184 2,187 9,188 1651,189 21.397,190 21.397,191 21.397,192 21.397,193 21.397,194 19.736,195 24.931,196 13.062,197 21.76,198 16.819,199 16.819,200 16.819,201 16.819,202 16.819,203 14.352,204 30.509,205 6.221,206 17.456,207 4.614,208 2.943,209 1.761,210 0.8,211 0.585,212 0.554,213 4.173,214 1,217 1029,218 3.536,220 422.434,222 162.114,223 2.35,224 20.132,226 0.75,227 1,228 1,229 1,230 1,231 0.96,232 64.833,233 470,234 4.313,235 3.614,236 6.513,237 4.032,238 3.042,239 3.872,240 1.909,241 10.232,242 3.013,243 4.271,244 3.328,245 6.449,246 3.922,247 2.996,248 3.839,249 0.8,250 9.934,251 2.755,252 3.682,253 3.242,254 5.381,255 3.431,256 2.506,257 2.866,258 0.8,259 7.032,260 2.4,261 3.564,262 2.858,263 5.333,264 3.397,265 2.397,266 2.614,267 0.561,268 6.762,269 2.296,270 3.183,271 2.469,272 4.999,273 2.964,274 2.014,275 2.317,277 5.655,278 1.952,279 3.166,280 2.326,281 4.855,282 2.912,283 1.949,284 2.274,285 5.415,286 1.821,287 2.943,288 1.714,289 4.135,290 2.618,291 1.618,292 2.101,293 3.77,294 1.618,295 2.86,296 1.708,297 3.922,298 2.557,299 1.563,300 2.011,301 3.318,302 1.548,303 2.655,304 1.619,305 3.682,306 2.352,307 1.414,308 1.665,309 3.114,310 1.27,311 2.56,312 1.305,313 3.589,314 2.27,315 1.27,316 1.568,317 2.829,318 1.26,319 2.461,320 1.258,321 3.579,322 2.131,323 1.152,324 1.449,325 2.788,326 1.121,327 2.147,328 1.146,329 3.414,330 1.967,331 1,332 1.091,333 2.275,334 0.965,335 2,336 1.068,337 3.33,338 1.908,339 0.921,340 1,341 2.129,342 0.907,343 1.842,344 1.005,345 3.082,346 1.739,347 0.742,348 0.793,349 1.629,350 0.736,351 1.2,352 0.545,353 2.714,354 1.055,355 0.098,356 0.103,357 0.228,358 0.09,359 15.248,360 0.492,361 0.554,362 0.018,363 33.5,364 1.081,365 14,366 0.452,367 19.5,368 0.629,369 32.285,370 1.041,371 34.552,372 0.532,373 21.746,374 0.701,375 6.064,376 0.196,377 9.139,378 0.295,379 0.069,381 0.249,382 0.714,383 1.404,384 0.77,385 1.107,386 0.525,387 1.055,388 0.891,389 1.227,390 0.877,391 1.041,392 0.539,393 1.061,394 1.031,395 0.982,396 0.913,397 0.939,398 0.91,399 0.97,400 1.016,401 1.114,402 0.997,403 1.076,404 1.029,405 1.08,406 1.246,407 0.963,408 1.118,409 1.011,410 1.318,411 1.003,412 1.242,413 0.94,414 1.042,415 0.997,416 1.471,417 0.984,418 1.024,419 0.869,420 0.776,421 0.878,422 1.407,423 0.937,424 0.77,425 0.972,426 0.895,427 0.988,428 0.786,429 0.976,430 4.5,431 0.111,432 3.111,433 1.688,434 1.2,435 0.688,436 0.443,437 0.267,438 0.156,439 0.113,440 16740,441 36259,442 2.123,443 52.3,444 8,445 19,448 1,449 2,450 4,452 1.726,453 2.044,454 3.828,455 -0.425,459 91.514,460 1.408,461 3.079,462 4.262,463 5.222,464 5.438,465 5.469,466 3.192,467 4.567,468 4.932,469 4.064,470 1889.61,471 8.549,472 30245,475 391.454,476 1.14,477 4.91,478 0.132,479 0.005,480 0.069,481 0.037,482 0.03,483 0.02,484 0.015,485 0.011,486 0.006,487 0.005,488 0.33,489 0.33,490 0.88,491 0.415,492 167.87,493 0.012,494 -0.149,495 0.041,496 -0.03,497 0.026,498 0.009,499 0.008,500 -0.056,501 -0.029,502 -0.047,503 0.062,504 -0.062,505 -0.019,506 0.065,507 0.004,508 0.025,509 -0.026,510 0.002,511 -0.054,512 -0.121,513 -0.05,514 -0.093,515 -0.041,516 -0.095,517 -0.093,518 -0.019,519 -0.068,520 -0.04,521 -0.069,522 -0.034,523 -0.04,524 -0.016,525 -0.05,526 -0.044,527 -0.048,528 -0.027,529 0.033,530 0.069,531 0.02,532 0.053,533 -0.041,534 0.016,535 0.01,536 -0.039,537 0.014,538 -0.015,539 -0.007,540 0.008,541 1.463,542 5.446,543 0.71,544 35.428,545 0.986,546 1.128,547 4.267,548 18.21,549 0.654,550 3.555,551 3.829,552 4.078,553 4.304,554 4.5,555 4.443,556 4.511,557 4.543,558 4.511,559 4.394,560 9.05,561 0.601,562 440.08,563 3.555,564 5.069,565 5.9,566 6.751,567 7.596,568 8.453,569 9.304,570 10.163,571 11.017,572 11.877,573 4.6,575 1,577 1,578 1,584 8,587 4,588 12,593 1,595 1,596 65,597 13,598 2,599 34,600 68,601 26,602 12,603 4,604 8,606 4,607 5,608 1,610 4,612 8,614 13,615 13,617 1,620 1,621 1,624 34,625 4,626 1,627 5,628 1,629 3,630 0.75,631 1,636 4,638 1,639 1,642 1,643 3,646 1,647 31,651 12,652 1,653 1,654 2,658 1,659 1.5,661 1,663 15.167,664 11.21,665 6.944,666 4.398,667 1.987,668 1.259,669 0.976,670 8.15,671 9.665,672 3.738,673 4.205,674 4.659,675 5.104,676 5.531,677 5.46,678 5.629,679 5.769,680 5.871,681 5.72,682 0.9,683 46,684 11.556,686 4.841,687 7.477,688 23.112,689 19.514,690 1.977,691 61.278,694 388.446,695 121.413,696 24.259,697 39.149,698 25.145,700 121.413,701 452.74,702 24.259,704 46.281,705 75.81,706 29.85,707 18.877,709 388.446,710 39.149,711 388.446,712 145.673,713 25.145,714 39.149,715 341.362,716 72.229,718 49.405,719 96.267,720 39.149,721 388.446,722 49.404,723 160.562,725 388.446,726 45.603,727 82.059,728 18.011,729 64.294,730 388.446,731 49.404,732 160.562,733 0.567,734 0.329,735 0.181,736 0.098,737 20,738 8,739 0.118,740 8,741 1,742 1.091,743 4.515,744 258.097,745 0.091,746 22,747 147.58,749 22.479,750 11.24,751 6.169,753 49.404,754 16.651,757 4.702,758 18.011,759 598.413,760 41,763 12.446,764 0.204,765 64.094,766 73.292,767 0.234,768 0.511,769 0.708,770 0.867,771 0.903,772 0.908,773 4.963,774 1.563,775 5.844,776 3.77,777 4.511,778 4.89,779 2.253,780 6.597,781 4.437,782 6.092,783 1.414,784 7.361,785 3.318,786 3.892,787 4.443,788 1.738,789 7.402,790 3.724,791 7.35,792 1.27,793 8.983,794 3.114,795 6.038,796 6.881,797 2.97,798 10.507,799 5.887,800 8.64,801 1.152,802 10.673,803 2.829,804 6.293,805 7.304,806 3.061,807 12.212,808 6.052,809 9.969,810 1,811 12.407,812 2.788,813 7.851,814 9.206,815 4.055,816 14.807,817 7.621,818 11.323,819 0.921,820 14.174,821 2.275,822 8.539,823 10.056,824 4.419,825 16.872,826 8.235,827 12.699,828 0.742,829 15.963,830 2.129,831 9.837,832 11.713,833 5.26,834 19.291,835 9.531,836 3.042,837 0.098,838 17.77,839 1.629,840 10.74,841 12.783,842 5.758,843 21.502,844 10.379,845 2.996,846 10.232,847 19.589,848 0.228,849 11.922,850 14.312,851 6.511,852 23.857,853 11.549,854 2.506,855 9.934,856 21.419,857 3.872,858 12.929,859 15.501,860 7.078,861 26.127,862 12.515,863 2.397,864 7.032,865 23.256,866 3.839,867 14.062,868 16.958,869 7.782,870 28.458,871 13.632,872 2.014,873 6.762,874 25.1,875 2.866,876 15.119,877 18.213,878 8.386,879 30.753,880 14.657,881 1.949,882 5.655,883 26.949,884 2.614,885 16.233,886 19.627,887 9.064,888 33.074,889 15.753,890 1.618,891 5.415,892 28.801,893 2.317,894 17.314,895 20.921,896 9.687,897 35.38,898 16.808,899 15578,900 23061,901 23.345,902 42.512,903 49.528,904 50.578,905 50.54,906 49.566,907 49.365,908 59.121,909 8.14,910 134.222,911 47.504,912 5.313,913 5.614,914 6.284,915 5.1,916 5.042,917 6.872,918 3.31,919 17.059,920 5.013,921 10.675,922 1.457,923 1.488,924 1.486,925 1.458,926 1.452,927 1.739,928 0.239,929 3.948,930 1.397,931 4.024,932 4.063,933 4.025,934 3.954,935 7.429,936 3.948,937 3.953,938 3.998,939 3.939,940 3.865,941 4.938,942 3.862,943 3.79,944 3.843,945 3.699,946 3.654,947 4.744,948 3.647,949 3.686,950 3.743,951 3.585,952 3.519,953 4.382,954 3.522,955 3.532,956 3.595,957 3.39,958 3.409,959 4.31,960 3.394,961 3.424,962 3.488,963 3.299,964 3.24,965 4.164,966 3.241,967 3.182,968 3.268,969 3.267,970 3.011,971 4.053,972 2.999,973 3.111,974 3.206,975 3.014,976 2.941,977 3.854,978 2.91,979 0.127,980 0.106,981 0.192,982 0.119,983 0.089,984 4.313,985 0.114,986 3.614,987 0.056,988 6.513,989 0.301,990 4.032,991 0.089,992 3.042,993 3.872,994 1.909,995 10.232,996 3.013,997 1.999,998 1.969,999 2.13,1000 2.092,1001 1.433,1002 2.106,1003 1.913,1004 1.88,1005 2.05,1006 2.06,1007 1.379,1008 2.063,1009 1.78,1010 1.722,1011 1.981,1012 1.93,1013 1.268,1014 1.952,1015 1.664,1016 1.602,1017 1.876,1018 1.844,1019 1.041,1020 1.86,1021 1.546,1022 1.488,1023 1.776,1024 1.705,1025 0.938,1026 1.73,1027 1.401,1028 1.338,1029 1.662,1030 1.621,1031 0.931,1032 1.638,1033 1.18,1034 1.104,1035 1.513,1036 1.411,1037 0.825,1038 1.436,1039 1.153,1040 1.064,1041 1.465,1042 1.376,1043 0.751,1044 1.429,1045 4.234,1046 5.517,1048 7.004,1050 8.585,1052 10.216,1054 6.336,1057 12.547,1058 3.275,1059 0.201,1060 4.916,1063 39.035,1064 91.514,1065 200.138,1066 277.015,1067 339.454,1068 353.454,1069 355.454,1070 53.344,1071 7.678,1072 35.58,1073 35.58,1074 24,1075 12.429,1076 3.807,1077 3,1078 50.104,1079 175,1080 132,1081 0.136,1082 242.818,1083 425.64,1084 584.236,1085 29226,1086 1.5,1087 21.468,1088 0.693,1089 0.617,1090 21.968,1091 19.118,1092 15.204,1093 0.447,1094 0.358,1095 11.733,1096 14.574,1097 11.474,1098 9.453,1099 15.492,1100 12.173,1101 13.085,1102 0.291,1103 0.205,1104 13.455,1105 9.209,1106 10.912,1107 0.188,1108 0.12,1109 11.271,1110 6.968,1111 9.052,1112 0.124,1113 0.07,1114 9.373,1115 5.144,1116 7.308,1117 0.082,1118 0.042,1119 7.535,1120 3.709,1121 0.227,1122 96.569,1123 0.207,1124 30.35,1125 0.337,1126 158,1127 359.562,1128 182.284,1129 382.881,1130 516.92,1131 360,1132 182,1133 353.401,1134 203.246,1135 368.708,1136 538.27,1137 350,1138 4.77}
{0 CHEMBL225571,1 1.47,2 15.394,3 4.985,4 24.848,5 132.115,6 6.726,7 0.333,8 4.277,9 4.411,10 3.757,11 3.794,12 5.277,13 3.75,14 4.871,15 5.068,16 4.084,17 4.216,18 5.884,19 4.137,20 5.201,21 5.453,22 4.152,23 4.397,24 6.039,25 4.278,26 5.264,27 5.518,28 4.121,29 4.396,30 6.167,31 4.261,32 5.284,33 5.557,34 4.025,35 4.335,36 6.184,37 4.192,38 5.206,39 5.484,40 3.846,41 4.197,42 6.135,43 4.044,44 5.024,45 5.303,46 3.646,47 4.038,48 5.927,49 3.868,50 4.857,51 5.147,52 3.552,53 3.956,54 5.563,55 3.781,56 0.138,57 0.983,58 15.522,59 6.327,60 10.51,61 9.011,62 0.328,63 1.62,64 29.324,65 10.586,66 50.275,67 15.665,68 0.402,69 2.047,70 41.857,71 14.488,72 45.383,73 21.622,74 0.467,75 2.075,76 44.915,77 15.399,78 61.89,79 22.936,80 0.487,81 2.002,82 46.577,83 15.123,84 72.623,85 22.619,86 0.588,87 1.766,88 43.771,89 13.8,90 88.141,91 20.339,92 0.644,93 1.477,94 36.468,95 11.89,96 79.617,97 17.471,98 0.221,99 1.329,100 29.776,101 10.732,102 29.23,103 16.089,104 11,105 48,106 0.233,107 0.5,108 0.682,109 0.825,110 0.863,111 0.872,112 3.531,113 1.016,114 -5.08,115 -4.97,116 -4.66,117 38.8,119 7,122 5,123 1,124 8,125 2,126 2,130 1,134 2,135 15,136 1,137 4,139 1,140 3,141 15,143 2,144 8,146 4,147 11,149 2,150 10,151 4,152 7,154 9,157 2,159 7,161 1,162 6,167 8,169 3,170 3,171 1,173 10,175 2,181 10,184 5,187 8,188 1946,189 22.604,190 22.604,191 22.604,192 22.604,193 22.604,194 20.691,195 27.906,196 13.744,197 22.908,198 17.803,199 17.803,200 17.803,201 17.803,202 17.803,203 14.933,204 35.206,205 6.52,206 18.275,207 4.596,208 2.915,209 1.768,210 0.866,211 0.627,212 0.567,213 4.231,217 1103,218 3.937,220 452.334,222 175.32,223 2.419,224 31.538,226 1,227 0.83,228 0.83,229 1,230 1,231 0.95,232 71,233 508,234 4.438,235 3.812,236 6.636,237 4.039,238 3.084,239 4.122,240 2.612,241 10.581,242 3.013,243 4.313,244 3.614,245 6.513,246 4.032,247 3.042,248 3.872,249 1.909,250 10.232,251 2.948,252 3.747,253 3.242,254 5.617,255 3.5,256 2.568,257 3.069,258 0.8,259 7.359,260 2.405,261 3.682,262 3.128,263 5.333,264 3.402,265 2.398,266 2.866,267 0.8,268 6.763,269 2.38,270 3.472,271 2.746,272 5.285,273 3.154,274 2.22,275 2.567,276 0.561,277 6.607,278 2.073,279 3.179,280 2.326,281 4.855,282 2.955,283 1.956,284 2.316,285 5.416,286 1.947,287 3.113,288 2.081,289 4.358,290 2.698,291 1.712,292 2.258,293 4.033,294 1.686,295 2.943,296 1.711,297 4.135,298 2.618,299 1.618,300 2.101,301 3.769,302 1.618,303 2.666,304 1.698,305 3.706,306 2.551,307 1.556,308 1.674,309 3.267,310 1.543,311 2.613,312 1.342,313 3.64,314 2.27,315 1.27,316 1.602,317 2.831,318 1.269,319 2.56,320 1.305,321 3.586,322 2.148,323 1.168,324 1.566,325 2.791,326 1.142,327 2.46,328 1.235,329 3.466,330 2,331 1,332 1.447,333 2.304,334 1,335 2.147,336 1.146,337 3.414,338 1.967,339 1,340 1.091,341 2.275,342 0.965,343 2,344 1.068,345 3.33,346 1.907,347 0.921,348 1,349 2.129,350 0.907,351 1.84,352 1.005,353 3.081,354 1.736,355 0.74,356 0.79,357 1.626,358 0.734,359 15.6,360 0.473,361 0.644,362 0.02,363 38,364 1.152,365 17,366 0.515,367 21,368 0.636,369 32.288,370 0.978,371 37.2,372 0.555,373 27.546,374 0.835,375 7.018,376 0.213,377 9.096,378 0.276,379 0.064,381 0.269,382 0.485,383 1.383,384 0.863,385 1.174,386 0.455,387 1.085,388 0.656,389 1.245,390 0.995,391 1.133,392 0.376,393 1.102,394 0.782,395 1.008,396 0.965,397 1.003,398 0.59,399 0.999,400 0.836,401 1.131,402 1.012,403 1.12,404 0.797,405 1.094,406 1.077,407 0.984,408 1.007,409 0.997,410 1.037,411 0.989,412 1.348,413 0.891,414 1.077,415 0.938,416 1.449,417 0.97,418 1.138,419 0.817,420 1.06,421 0.894,422 1.348,423 0.968,424 0.545,425 0.989,426 0.871,427 1.022,428 0.471,429 0.995,430 5,431 0.128,432 3.333,433 1.938,434 1.44,435 0.924,436 0.484,437 0.354,438 0.18,439 0.132,440 19394,441 46113,442 2.097,443 50.7,444 8,445 19,448 1,449 2,450 4,452 1.742,453 2,454 3.842,455 -0.382,459 98.488,460 1.47,461 3.151,462 4.298,463 5.2,464 5.439,465 5.499,466 3.207,467 4.56,468 5.023,469 4.107,470 2168.5,471 8.732,472 36449.2,475 406.428,476 1.241,477 4.992,478 0.139,479 0.005,480 0.069,481 0.039,482 0.031,483 0.023,484 0.015,485 0.013,486 0.007,487 0.005,488 0.346,489 0.17,490 1,491 0.62,492 182.101,493 0.182,494 -0.091,495 0.067,496 -0.008,497 0.043,498 0.003,499 0.1,500 -0.069,501 -0.043,502 -0.068,503 0.18,504 -0.071,505 -0.017,506 0.044,507 -0.004,508 -0.001,509 0.012,510 0.001,511 0.032,512 -0.127,513 -0.042,514 -0.122,515 0.022,516 -0.097,517 -0.074,518 -0.032,519 -0.017,520 -0.038,521 -0.036,522 -0.018,523 -0.128,524 0.018,525 -0.061,527 -0.121,528 -0.018,529 0.011,530 0.088,531 -0.055,532 0.055,533 -0.096,534 -0.007,535 0.046,536 -0.052,537 0.067,538 -0.026,539 0.032,540 0.018,541 2.301,542 5.457,543 0.667,544 39.243,545 0.995,546 1.132,547 3.845,548 14.787,549 0.639,550 3.611,551 3.892,552 4.143,553 4.382,554 4.585,555 4.533,556 4.595,557 4.644,558 4.635,559 4.489,560 9.398,561 0.599,562 450.64,563 3.611,564 5.13,565 5.964,566 6.821,567 7.672,568 8.534,569 9.391,570 10.256,571 11.116,572 11.983,573 6,575 1,577 1,578 1,582 1,584 8,587 4,588 12,592 1,593 1,596 67,597 15,598 2,599 36,600 70,601 26,602 12,603 4,604 8,606 4,607 5,610 4,612 8,614 13,615 13,617 3,618 1,620 3,621 1,624 34,625 6,626 1,627 7,629 4,630 0.75,631 3,636 4,638 1,639 1,642 1,643 3,647 33,651 12,652 1,653 1,654 2,659 4.5,661 1,662 2,663 16.5,664 11.6,665 7.389,666 4.479,667 2.289,668 1.292,669 0.964,670 8.355,671 10.133,672 3.829,673 4.317,674 4.766,675 5.24,676 5.675,677 5.662,678 5.861,679 5.926,680 6.085,681 5.934,682 0.9,683 50,684 12.309,686 5.222,687 7.717,688 24.081,689 20.214,690 2.217,691 73.167,694 388.446,695 120.67,696 29.929,698 75.892,700 120.67,701 464.338,702 29.929,703 5.67,704 46.281,705 75.81,706 29.85,707 18.133,709 388.446,710 50.747,711 388.446,712 150.599,713 75.892,715 341.362,716 72.229,717 50.747,718 49.405,719 95.524,720 5.67,721 388.446,722 105.821,723 120.67,725 388.446,726 44.86,727 87.729,728 18.011,729 75.892,730 388.446,731 105.821,732 120.67,733 0.568,734 0.33,735 0.184,736 0.101,737 21,738 9,739 0.129,740 9,741 1,742 1.091,743 4.625,744 282.602,745 0.091,746 22,747 160.465,749 23.72,750 11.624,751 6.335,753 100.151,754 15.447,757 3.558,758 18.011,759 614.937,760 45,761 -0.301,763 35.029,764 0.162,765 66.643,766 75.849,767 0.242,768 0.519,769 0.709,770 0.857,771 0.897,772 0.907,773 5.056,774 1.618,775 5.916,776 4.033,777 4.575,778 5.004,779 3.031,780 6.686,781 4.523,782 6.204,783 1.556,784 7.445,785 3.769,786 4.007,787 4.691,788 2.727,789 7.538,790 3.909,791 7.477,792 1.27,793 9.08,794 3.267,795 6.116,796 7.047,797 4.409,798 10.647,799 6.001,800 8.784,801 1.168,802 10.783,803 2.831,804 6.415,805 7.609,806 4.709,807 12.395,808 6.253,809 10.129,810 1,811 12.53,812 2.791,813 7.951,814 9.438,815 6.086,816 15.004,817 7.775,818 11.5,819 1,820 14.31,821 2.304,822 8.672,823 10.412,824 6.666,825 17.107,826 8.455,827 12.893,828 0.921,829 16.112,830 2.275,831 9.961,832 12.022,833 7.87,834 19.549,835 9.728,836 3.084,837 0.74,838 17.931,839 2.129,840 10.89,841 13.2,842 8.608,843 21.795,844 10.622,845 3.042,846 10.581,847 19.764,848 1.626,849 12.073,850 14.708,851 9.711,852 24.177,853 11.785,854 2.568,855 10.232,856 21.606,857 4.122,858 13.1,859 15.988,860 10.541,861 26.482,862 12.783,863 2.398,864 7.359,865 23.456,866 3.872,867 14.24,868 17.445,869 11.586,870 28.841,871 13.902,872 2.22,873 6.763,874 25.313,875 3.069,876 15.314,877 18.78,878 12.469,879 31.17,880 14.949,881 1.956,882 6.607,883 27.174,884 2.866,885 16.438,886 20.211,887 13.48,888 33.522,889 16.049,890 1.712,891 5.416,892 29.04,893 2.567,894 17.534,895 21.576,896 14.395,897 35.861,898 17.12,899 18196,900 28287,901 24.444,902 42.807,903 52.844,904 54.619,905 53.995,906 52.664,907 52.652,908 64.837,909 13.365,910 144.316,911 51.405,912 5.438,913 5.812,914 6.407,915 5.107,916 5.084,917 7.122,918 4.612,919 17.561,920 5.013,921 13.807,922 1.468,923 1.517,924 1.5,925 1.463,926 1.463,927 1.801,928 0.371,929 4.009,930 1.428,931 4.041,932 4.081,933 3.987,934 3.955,935 7.815,936 3.95,937 3.994,938 4.029,939 3.934,940 3.875,941 7.429,942 3.885,943 3.814,944 3.875,945 3.699,946 3.655,947 6.999,948 3.651,949 3.698,950 3.756,951 3.588,952 3.52,953 4.75,954 3.525,955 3.535,956 3.597,957 3.438,958 3.409,959 4.708,960 3.394,961 3.475,962 3.507,963 3.381,964 3.24,965 4.337,966 3.241,967 3.421,968 3.479,969 3.273,970 3.036,971 4.164,972 3.133,973 3.182,974 3.268,975 3.014,976 3.009,977 4.053,978 2.998,979 0.123,980 0.106,981 0.184,982 0.112,983 0.086,984 4.438,985 0.115,986 3.812,987 0.073,988 6.636,989 0.294,990 4.039,991 0.084,992 3.084,993 4.122,994 2.612,995 10.581,996 3.013,997 1.999,998 1.969,999 2.13,1000 2.117,1001 1.433,1002 2.106,1003 1.938,1004 1.905,1005 2.061,1006 2.091,1007 1.38,1008 2.091,1009 1.785,1010 1.725,1011 1.994,1012 1.98,1013 1.271,1014 1.979,1015 1.668,1016 1.605,1017 1.886,1018 1.872,1019 1.059,1020 1.878,1021 1.546,1022 1.488,1023 1.776,1024 1.709,1025 0.939,1026 1.73,1027 1.401,1028 1.338,1029 1.662,1030 1.655,1031 0.932,1032 1.64,1033 1.196,1034 1.165,1035 1.513,1036 1.614,1037 0.825,1038 1.55,1039 1.179,1040 1.104,1041 1.465,1042 1.411,1043 0.751,1044 1.436,1045 4.29,1046 5.58,1048 7.071,1050 8.657,1052 10.296,1057 11.327,1058 3.245,1059 0.166,1060 4.534,1063 40.132,1064 98.488,1065 211.112,1066 287.989,1067 348.428,1068 364.428,1069 368.428,1070 69.218,1071 7.845,1072 81.4,1073 81.4,1074 24,1075 12.53,1076 4,1077 3.322,1078 55.07,1079 194,1080 136,1081 0.135,1082 246.344,1083 436.37,1084 592.841,1085 36182,1087 23.045,1088 0.698,1089 0.583,1090 23.045,1091 19.248,1092 16.114,1093 0.448,1094 0.339,1095 12.059,1096 15.529,1097 11.859,1098 9.778,1099 16.114,1100 12.195,1101 14.015,1102 0.292,1103 0.19,1104 14.015,1105 9.096,1106 11.466,1107 0.185,1108 0.111,1109 11.466,1110 6.874,1111 9.608,1112 0.122,1113 0.064,1114 9.608,1115 5.066,1116 7.858,1117 0.081,1118 0.038,1119 7.858,1120 3.684,1121 0.226,1122 100.757,1123 0.202,1124 31.876,1125 0.336,1126 168,1127 456.475,1128 182.941,1129 438.887,1130 588.1,1131 408,1132 194,1133 427.903,1134 209.224,1135 426.07,1136 616.65,1137 402,1138 5}
{0 CHEMBL243744,1 1.273,2 15.394,3 6.285,4 39.496,5 138.981,6 6.05,7 0.333,8 4.349,9 4.493,10 3.741,11 3.89,12 5.222,13 3.818,14 4.96,15 5.176,16 4.067,17 4.314,18 5.752,19 4.204,20 5.288,21 5.549,22 4.142,23 4.508,24 6.016,25 4.358,26 5.361,27 5.63,28 4.099,29 4.531,30 6.087,31 4.357,32 5.396,33 5.682,34 4.015,35 4.502,36 6.128,37 4.313,38 5.353,39 5.651,40 3.845,41 4.402,42 6.059,43 4.187,44 5.254,45 5.575,46 3.65,47 4.236,48 5.908,49 4.004,50 5.052,51 5.375,52 3.552,53 4.082,54 5.637,55 3.869,56 0.089,57 1.048,58 18.298,59 7.416,60 10.367,61 10.835,62 0.276,63 1.762,64 33.296,65 12.313,66 23.743,67 18.548,68 0.368,69 2.251,70 45.315,71 16.731,72 34.262,73 25.013,74 0.34,75 2.344,76 48.234,77 18.173,78 38.775,79 27.023,80 0.4,81 2.342,82 49.852,83 18.199,84 47.081,85 27.188,86 0.359,87 2.153,88 47.168,89 17.696,90 46.858,91 26.125,92 0.424,93 1.885,94 42.391,95 15.582,96 45.294,97 23.148,98 0.258,99 1.582,100 34.455,101 12.734,102 23.62,103 19.159,104 11,105 48,106 0.199,107 0.464,108 0.687,109 0.813,110 0.848,111 0.858,112 3.531,113 1.087,114 -5.62,115 -5.49,116 -5.12,117 39.2,118 2,119 7,120 1,122 5,123 1,124 8,125 3,126 1,130 1,135 19,137 4,139 1,140 3,141 21,143 1,144 5,146 4,147 16,150 7,151 4,152 12,154 8,157 2,159 9,162 7,167 8,169 1,170 5,171 1,173 11,175 1,181 12,184 2,187 12,188 1946,189 22.604,190 22.604,191 22.604,192 22.604,193 22.604,194 21.02,195 28.017,196 13.744,197 22.855,198 17.803,199 17.803,200 17.803,201 17.803,202 17.803,203 15.361,204 33.244,205 6.52,206 18.199,207 4.936,208 3.243,209 1.82,210 1.014,211 0.787,212 0.723,213 4.231,217 1103,218 3.937,220 452.334,222 175.32,223 2.419,224 18.919,226 0.75,227 1,228 0.83,229 1,230 1,231 0.94,232 68.5,233 508,234 4.351,235 3.614,236 6.636,237 4.054,238 3.084,239 3.908,240 1.909,241 10.581,242 3.013,243 4.313,244 3.325,245 6.513,246 4.032,247 3.042,248 3.872,249 0.8,250 10.232,251 2.998,252 3.682,253 3.242,254 5.617,255 3.507,256 2.568,257 2.866,258 0.8,259 7.359,260 2.412,261 3.605,262 2.877,263 5.333,264 3.402,265 2.398,266 2.648,267 0.561,268 6.763,269 2.391,270 3.287,271 2.55,272 5.285,273 3.165,274 2.22,275 2.356,277 6.607,278 2.095,279 3.178,280 2.326,281 4.855,282 2.955,283 1.956,284 2.315,285 5.416,286 1.948,287 3.044,288 1.797,289 4.358,290 2.701,291 1.712,292 2.226,293 4.033,294 1.691,295 2.943,296 1.71,297 4.135,298 2.618,299 1.618,300 2.101,301 3.769,302 1.618,303 2.657,304 1.688,305 3.706,306 2.551,307 1.556,308 1.667,309 3.267,310 1.543,311 2.56,312 1.305,313 3.64,314 2.27,315 1.27,316 1.568,317 2.831,318 1.269,319 2.462,320 1.266,321 3.586,322 2.148,323 1.168,324 1.45,325 2.791,326 1.142,327 2.314,328 1.146,329 3.466,330 2,331 1,332 1.275,333 2.304,334 1,335 2.146,336 1.069,337 3.414,338 1.967,339 1,340 1.09,341 2.275,342 0.965,343 2,344 1.005,345 3.33,346 1.907,347 0.921,348 1,349 2.129,350 0.907,351 1.837,352 1,353 3.081,354 1.736,355 0.74,356 0.788,357 1.626,358 0.734,359 16.033,360 0.486,361 0.644,362 0.02,363 34.25,364 1.038,365 14,366 0.424,367 20.25,368 0.614,369 37.1,370 1.124,371 37.367,372 0.505,373 22.734,374 0.689,375 5.948,376 0.18,377 10.166,378 0.308,379 0.083,381 0.268,382 0.812,383 1.415,384 1.015,385 1.218,386 0.604,387 1.142,388 1.001,389 1.192,390 1.077,391 1.087,392 0.564,393 1.078,394 1.167,395 1.021,396 1.06,397 0.999,398 0.978,399 1.014,400 1.066,401 1.135,402 1.074,403 1.104,404 1.03,405 1.091,406 1.289,407 1.005,408 1.09,409 1.022,410 1.26,411 1.036,412 1.177,413 1.038,414 1.048,415 1.056,416 1.36,417 1.048,418 1.092,419 0.854,420 0.937,421 0.882,422 1.305,423 0.901,424 0.879,425 0.824,426 0.858,427 0.829,428 0.704,429 0.836,430 5,431 0.128,432 3.333,433 1.938,434 1.44,435 0.924,436 0.484,437 0.354,438 0.18,439 0.132,440 19394,441 34723,442 2.097,443 55.4,444 15,445 19,448 1,449 2,450 4,452 1.742,453 2,454 3.842,455 -0.472,459 94.204,460 1.273,461 2.967,462 4.389,463 5.196,464 5.422,465 5.486,466 3.207,467 4.56,468 5.023,469 4.107,470 2168.5,471 8.732,472 36449.2,475 459.5,476 1.241,477 4.992,478 0.139,479 0.005,480 0.069,481 0.039,482 0.031,483 0.023,484 0.015,485 0.013,486 0.007,487 0.005,488 0.346,489 0.33,490 0.88,491 0.62,492 182.101,493 0.042,494 -0.135,495 0.064,496 -0.028,497 0.01,498 0.01,499 0.043,500 -0.019,501 -0.023,502 -0.025,503 0.071,504 -0.027,505 -0.06,506 0.043,507 -0.039,508 0.005,509 -0.058,510 -0.012,511 -0.044,512 -0.114,513 -0.073,514 -0.1,515 -0.036,516 -0.091,517 -0.1,518 -0.013,519 -0.088,520 -0.055,521 -0.052,522 -0.066,523 -0.043,524 -0.099,525 -0.067,526 -0.092,527 -0.03,528 -0.083,529 0.067,530 0.045,531 0.032,532 0.044,533 -0.009,534 0.034,535 0.009,536 0.099,537 0.1,538 0.103,539 0.027,540 0.11,541 1.45,542 5.505,543 0.667,544 39.243,545 0.979,546 1.13,547 4.393,548 19.299,549 0.634,550 3.611,551 3.892,552 4.143,553 4.382,554 4.585,555 4.533,556 4.595,557 4.644,558 4.635,559 4.489,560 9.398,561 0.578,562 447.73,563 3.611,564 5.13,565 5.964,566 6.821,567 7.672,568 8.534,569 9.391,570 10.256,571 11.116,572 11.983,573 4.1,575 1,577 1,578 1,584 8,587 4,588 12,593 1,596 74,597 13,598 2,599 36,600 77,601 29,602 12,603 4,604 8,606 4,607 5,609 2,610 4,612 8,614 13,615 16,616 1,617 1,620 1,621 1,624 41,625 4,626 1,627 4,629 3,630 0.75,631 1,636 4,638 1,639 1,642 1,643 3,645 2,647 33,651 12,652 1,653 2,654 2,659 1.4,661 1,663 16.5,664 13.4,665 7.389,666 5.113,667 2.082,668 1.265,669 0.962,670 8.72,671 9.926,672 3.784,673 4.248,674 4.714,675 5.175,676 5.605,677 5.566,678 5.751,679 5.851,680 5.984,681 5.833,682 0.9,683 50,684 12.325,686 5.118,687 7.394,688 24.899,689 21.027,690 1.894,691 62.5,694 470.844,695 138.749,696 24.259,698 25.145,700 138.749,701 495.989,702 24.259,703 17.65,704 46.281,705 75.81,706 29.85,707 18.562,709 470.844,711 470.844,712 163.008,713 25.145,715 423.76,716 72.229,718 67.056,719 95.952,721 470.844,722 49.404,723 138.749,725 470.844,726 45.288,727 99.709,728 18.011,729 25.145,730 470.844,731 49.404,732 138.749,733 0.568,734 0.33,735 0.184,736 0.101,737 21,738 9,739 0.117,740 9,741 1,742 1.091,743 4.625,744 282.602,745 0.091,746 22,747 160.465,749 24.135,750 11.923,751 6.533,753 49.404,754 17.453,757 5.605,758 18.011,759 658.997,760 43,763 12.505,764 0.217,765 72.421,766 83.593,767 0.205,768 0.478,769 0.707,770 0.837,771 0.873,772 0.884,773 5.017,774 1.618,775 5.916,776 4.033,777 4.575,778 4.934,779 2.253,780 6.686,781 4.532,782 6.15,783 1.556,784 7.445,785 3.769,786 4.007,787 4.511,788 1.738,789 7.538,790 3.932,791 7.41,792 1.27,793 9.08,794 3.267,795 6.116,796 6.923,797 2.97,798 10.647,799 6.023,800 8.704,801 1.168,802 10.783,803 2.831,804 6.415,805 7.372,806 3.061,807 12.395,808 6.293,809 10.037,810 1,811 12.53,812 2.791,813 7.951,814 9.257,815 4.055,816 15.004,817 7.812,818 11.397,819 1,820 14.31,821 2.304,822 8.672,823 10.133,824 4.419,825 17.107,826 8.51,827 12.779,828 0.921,829 16.112,830 2.275,831 9.961,832 11.779,833 5.26,834 19.549,835 9.782,836 3.084,837 0.74,838 17.931,839 2.129,840 10.89,841 12.873,842 5.758,843 21.795,844 10.691,845 3.042,846 10.581,847 19.764,848 1.626,849 12.073,850 14.396,851 6.511,852 24.177,853 11.857,854 2.568,855 10.232,856 21.606,857 3.908,858 13.1,859 15.605,860 7.078,861 26.482,862 12.867,863 2.398,864 7.359,865 23.456,866 3.872,867 14.24,868 17.061,869 7.782,870 28.841,871 13.99,872 2.22,873 6.763,874 25.313,875 2.866,876 15.314,877 18.334,878 8.386,879 31.17,880 15.046,881 1.956,882 6.607,883 27.174,884 2.648,885 16.438,886 19.75,887 9.064,888 33.522,889 16.152,890 1.712,891 5.416,892 29.04,893 2.356,894 17.534,895 21.058,896 9.687,897 35.861,898 17.231,899 18196,900 24459,901 24.444,902 46.938,903 52.928,904 53.656,905 53.995,906 52.648,907 52.652,908 62.414,909 8.14,910 144.316,911 51.596,912 5.351,913 5.614,914 6.407,915 5.121,916 5.084,917 6.908,918 3.31,919 17.561,920 5.013,921 13.807,922 1.47,923 1.49,924 1.5,925 1.462,926 1.463,927 1.734,928 0.226,929 4.009,930 1.433,931 4.033,932 4.074,933 3.957,934 3.958,935 7.429,936 3.953,937 3.977,938 4.017,939 3.909,940 3.9,941 4.765,942 3.897,943 3.803,944 3.864,945 3.68,946 3.657,947 4.732,948 3.652,949 3.695,950 3.755,951 3.581,952 3.525,953 4.338,954 3.528,955 3.535,956 3.599,957 3.389,958 3.41,959 4.165,960 3.395,961 3.492,962 3.563,963 3.314,964 3.365,965 4.139,966 3.343,967 3.422,968 3.486,969 3.272,970 3.239,971 4.053,972 3.24,973 3.182,974 3.268,975 3.014,976 3.011,977 3.854,978 2.999,979 0.121,980 0.1,981 0.184,982 0.113,983 0.086,984 4.351,985 0.109,986 3.614,987 0.053,988 6.636,989 0.294,990 4.054,991 0.084,992 3.084,993 3.908,994 1.909,995 10.581,996 3.013,997 1.999,998 1.969,999 2.13,1000 2.092,1001 1.433,1002 2.106,1003 1.959,1004 1.926,1005 2.091,1006 2.082,1007 1.384,1008 2.088,1009 1.79,1010 1.728,1011 2.014,1012 1.961,1013 1.3,1014 1.981,1015 1.674,1016 1.611,1017 1.909,1018 1.866,1019 1.201,1020 1.884,1021 1.547,1022 1.489,1023 1.792,1024 1.712,1025 0.958,1026 1.739,1027 1.52,1028 1.454,1029 1.775,1030 1.688,1031 0.934,1032 1.724,1033 1.401,1034 1.338,1035 1.662,1036 1.619,1037 0.881,1038 1.637,1039 1.18,1040 1.104,1041 1.513,1042 1.411,1043 0.825,1044 1.436,1045 4.29,1046 5.58,1048 7.071,1050 8.657,1052 10.296,1053 4.562,1057 12.951,1058 3.293,1059 0.767,1060 5.146,1063 42.788,1064 94.204,1065 219.525,1066 324.796,1067 384.48,1068 401.235,1069 405.99,1070 58.585,1071 7.845,1072 35.58,1073 35.58,1074 24,1075 12.53,1076 3.807,1077 3,1078 55.07,1079 194,1080 136,1081 0.135,1082 263.262,1083 462.33,1084 634.12,1085 36182,1087 23.045,1088 0.698,1089 0.623,1090 23.045,1091 20.561,1092 16.114,1093 0.448,1094 0.362,1095 12.957,1096 15.775,1097 12.595,1098 10.471,1099 16.114,1100 13.05,1101 14.015,1102 0.292,1103 0.21,1104 14.015,1105 10.064,1106 11.466,1107 0.185,1108 0.119,1109 11.466,1110 7.355,1111 9.608,1112 0.122,1113 0.069,1114 9.608,1115 5.444,1116 7.858,1117 0.081,1118 0.041,1119 7.858,1120 3.979,1121 0.226,1122 98.858,1123 0.202,1124 31.876,1125 0.336,1126 168,1127 343.359,1128 176.764,1129 340.136,1130 474.34,1131 322,1132 194,1133 350.538,1134 203.21,1135 358.076,1136 522.11,1137 340,1138 6.046}
{0 CHEMBL243954,1 1.284,2 16.722,3 6.609,4 43.676,5 149.926,6 6.423,7 0.45,8 4.376,9 4.511,10 3.828,11 3.954,12 5.298,13 3.892,14 4.964,15 5.162,16 4.15,17 4.372,18 5.812,19 4.274,20 5.295,21 5.548,22 4.215,23 4.55,24 6.053,25 4.412,26 5.341,27 5.598,28 4.173,29 4.56,30 6.102,31 4.402,32 5.381,33 5.654,34 4.143,35 4.547,36 6.158,37 4.383,38 5.347,39 5.625,40 4.022,41 4.477,42 6.117,43 4.296,44 5.261,45 5.551,46 3.837,47 4.356,48 5.985,49 4.154,50 5.14,51 5.445,52 3.698,53 4.223,54 5.766,55 4.014,56 0.082,57 1.05,58 17.682,59 7.435,60 10.475,61 10.585,62 0.265,63 1.799,64 32.512,65 12.48,66 24.156,67 18.256,68 0.367,69 2.335,70 45.535,71 17.278,72 35.959,73 25.224,74 0.324,75 2.389,76 47.465,77 18.518,78 38.48,79 26.863,80 0.378,81 2.432,82 49.709,83 18.876,84 48.213,85 27.454,86 0.366,87 2.307,88 48.042,89 18.373,90 50.159,91 26.599,92 0.416,93 2.085,94 44.116,95 17.015,96 48.437,97 24.612,98 0.253,99 1.846,100 38.689,101 15.141,102 27.571,103 22.188,104 2,105 53,106 0.198,107 0.465,108 0.643,109 0.807,110 0.861,111 0.871,112 3.615,113 1.033,114 -5.97,115 -5.82,116 -5.42,117 42.7,119 7,122 5,123 1,124 13,125 4,126 1,130 1,135 23,137 4,139 1,140 3,141 26,143 1,144 5,146 4,147 21,150 7,151 4,152 15,154 10,157 2,159 14,162 8,167 12,169 1,170 5,171 1,173 12,175 3,181 12,184 3,187 12,188 2502,189 25.173,190 25.173,191 25.173,192 25.173,193 25.173,194 22.876,195 24.997,196 15.464,197 25.424,198 19.823,199 19.823,200 19.823,201 19.823,202 19.823,203 16.427,204 32.277,205 7.384,206 20.219,207 4.945,208 3.22,209 2.066,210 1.002,211 0.65,212 0.587,213 4.329,217 1335,218 3.606,220 606.385,222 192.892,223 2.546,224 19.063,226 0.75,227 0.67,228 0.83,229 1,230 0.5,231 0.82,232 74.5,233 602,234 4.425,235 3.614,236 6.685,237 4.088,238 3.114,239 4.06,240 1.909,241 10.818,242 3.042,243 4.313,244 3.266,245 6.513,246 4.032,247 3.042,248 3.872,249 0.8,250 10.232,251 3.013,252 3.799,253 3.242,254 5.778,255 3.56,256 2.615,257 3.243,258 0.8,259 7.871,260 2.469,261 3.682,262 2.845,263 5.333,264 3.403,265 2.4,266 2.866,267 0.561,268 6.85,269 2.398,270 3.515,271 2.547,272 5.319,273 3.287,274 2.337,275 2.603,277 6.762,278 2.217,279 3.181,280 2.326,281 4.855,282 2.957,283 1.959,284 2.317,285 5.416,286 1.951,287 3.159,288 1.972,289 4.681,290 2.854,291 1.881,292 2.285,293 4.875,294 1.824,295 2.97,296 1.711,297 4.135,298 2.618,299 1.618,300 2.182,301 3.77,302 1.618,303 2.943,304 1.698,305 3.941,306 2.562,307 1.565,308 2.101,309 3.351,310 1.556,311 2.658,312 1.51,313 3.687,314 2.503,315 1.504,316 1.668,317 3.22,318 1.502,319 2.561,320 1.305,321 3.605,322 2.27,323 1.27,324 1.568,325 2.831,326 1.269,327 2.5,328 1.262,329 3.585,330 2.145,331 1.165,332 1.5,333 2.79,334 1.139,335 2.5,336 1.146,337 3.436,338 2,339 1,340 1.5,341 2.396,342 1,343 2.458,344 1.069,345 3.414,346 2,347 1,348 1.446,349 2.275,350 1,351 2.147,352 1.005,353 3.33,354 1.967,355 1,356 1.091,357 2.136,358 0.965,359 17.533,360 0.487,361 0.568,362 0.016,363 42.25,364 1.174,365 20,366 0.556,367 22.25,368 0.618,369 36.112,370 1.003,371 38.867,372 0.518,373 29.923,374 0.831,375 7.865,376 0.218,377 9.911,378 0.275,379 0.019,381 0.245,382 0.795,383 1.295,384 0.937,385 1.108,386 0.567,387 1.042,388 1.023,389 1.173,390 1.084,391 1.078,392 0.594,393 1.075,394 1.18,395 0.97,396 1.031,397 0.952,398 0.968,399 0.972,400 1.078,401 1.102,402 1.055,403 1.074,404 1.04,405 1.064,406 1.25,407 0.989,408 1.025,409 0.981,410 1.255,411 0.985,412 1.282,413 1.018,414 1.055,415 1.024,416 1.405,417 1.026,418 1.139,419 0.943,420 1.044,421 0.988,422 1.37,423 1.011,424 0.767,425 0.966,426 0.922,427 0.966,428 0.701,429 0.956,430 4.5,431 0.115,432 3.333,433 1.875,434 1.311,435 0.854,436 0.482,437 0.347,438 0.213,439 0.123,440 25608,441 49342,442 2.171,443 52,444 8,445 24,448 1,449 2,450 4,452 1.765,453 2.118,454 3.961,455 -0.493,459 96.276,460 1.284,461 3.008,462 4.163,463 5.227,464 5.579,465 5.642,466 3.344,467 4.461,468 5.147,469 4.201,470 2646.69,471 8.987,472 47314.4,475 467.161,476 0.983,477 5.137,478 0.112,479 0.004,480 0.063,481 0.034,482 0.026,483 0.017,484 0.011,485 0.01,486 0.007,487 0.004,488 0.29,489 0.33,490 0.63,491 0.287,492 203.857,493 0.036,494 -0.103,495 0.067,496 -0.01,497 0.033,498 0.023,499 0.018,500 -0.032,501 -0.071,502 -0.057,503 0.047,504 -0.067,505 -0.066,506 0.072,507 -0.027,508 0.03,509 -0.051,510 0.009,511 -0.045,512 -0.096,513 -0.063,514 -0.083,515 -0.032,516 -0.076,517 -0.066,518 -0.002,519 -0.025,520 -0.011,521 -0.033,522 -0.013,523 -0.068,524 -0.053,525 -0.057,526 -0.055,527 -0.048,528 -0.055,529 0.027,531 -0.053,532 -0.024,533 -0.059,534 -0.044,535 0.036,536 -0.035,537 0.046,538 -0.002,539 0.011,540 0.019,541 1.456,542 5.56,543 0.778,544 45.611,545 0.981,546 1.122,547 4.737,548 22.436,549 0.656,550 3.714,551 3.989,552 4.263,553 4.522,554 4.754,555 4.727,556 4.828,557 4.898,558 4.92,559 4.844,560 9.938,561 0.603,562 481.74,563 3.714,564 5.231,565 6.071,566 6.929,567 7.784,568 8.65,569 9.512,570 10.381,571 11.247,572 12.118,573 4,575 1,577 1,578 1,584 13,587 5,588 18,593 1,596 75,597 19,598 3,599 40,600 79,601 32,602 18,603 5,604 13,606 5,607 6,610 4,612 8,614 19,615 13,617 1,620 1,621 1,624 39,625 4,626 1,627 4,629 3,630 0.8,631 1,636 5,638 1,639 1,642 1,643 4,647 36,651 12,652 1,653 1,654 2,659 1.3,661 1,663 17,664 12.983,665 8.056,666 5.036,667 3.272,668 1.393,669 0.995,670 8.611,671 11.597,672 3.932,673 4.425,674 4.936,675 5.453,676 5.952,677 6.002,678 6.335,679 6.581,680 6.783,681 6.835,682 0.909,683 55,684 13.411,686 5.634,687 7.412,688 26.929,689 22.827,690 1.912,691 68.833,694 447.302,695 171.665,696 24.259,698 25.145,700 171.665,701 472.447,702 24.259,704 46.281,705 123.191,706 29.85,707 21.748,709 447.302,711 447.302,712 195.925,713 25.145,715 400.217,716 72.229,718 49.405,719 146.519,721 447.302,722 49.404,723 171.665,725 447.302,726 48.474,727 129.44,728 18.011,729 25.145,730 447.302,731 49.404,732 171.665,733 0.564,734 0.33,735 0.188,736 0.105,737 24,738 9,739 0.114,740 9,741 1,742 1.071,743 4.959,744 326.088,745 0.071,746 28,747 178.117,749 24.895,750 12.453,751 6.519,753 49.404,754 28.057,757 6.67,758 18.011,759 668.371,760 50,763 12.56,764 0.211,765 73.538,766 84.178,767 0.206,768 0.483,769 0.668,770 0.839,771 0.896,772 0.906,773 5.15,774 1.618,775 6.009,776 4.875,777 4.673,778 5.112,779 2.253,780 6.774,781 4.634,782 6.287,783 1.565,784 7.528,785 3.77,786 4.007,787 4.59,788 1.738,789 7.6,790 3.932,791 7.547,792 1.504,793 9.155,794 3.351,795 6.205,796 7.142,797 2.97,798 10.734,799 6.12,800 8.841,801 1.27,802 10.852,803 3.22,804 6.447,805 7.518,806 3.061,807 12.484,808 6.329,809 10.175,810 1.165,811 12.597,812 2.831,813 8.032,814 9.498,815 4.055,816 15.105,817 7.904,818 11.537,819 1,820 14.375,821 2.79,822 8.724,823 10.328,824 4.419,825 17.217,826 8.57,827 12.921,828 1,829 16.178,830 2.396,831 10.038,832 12.036,833 5.26,834 19.67,835 9.873,836 3.114,837 1,838 17.999,839 2.275,840 10.953,841 13.11,842 5.758,843 21.928,844 10.768,845 3.042,846 10.818,847 19.833,848 2.136,849 12.15,850 14.674,851 6.511,852 24.323,853 11.951,854 2.615,855 10.232,856 21.678,857 4.06,858 13.174,859 15.883,860 7.078,861 26.641,862 12.957,863 2.4,864 7.871,865 23.531,866 3.872,867 14.321,868 17.368,869 7.782,870 29.016,871 14.091,872 2.337,873 6.85,874 25.39,875 3.243,876 15.397,877 18.653,878 8.386,879 31.36,880 15.15,881 1.959,882 6.762,883 27.255,884 2.866,885 16.526,886 20.095,887 9.064,888 33.728,889 16.265,890 1.881,891 5.416,892 29.124,893 2.603,894 17.626,895 21.424,896 9.687,897 36.083,898 17.348,899 23444,900 32656,901 27.909,902 49.177,903 58.801,904 59.453,905 59.29,906 58.423,907 58.418,908 72.348,909 8.14,910 159.072,911 57.363,912 5.425,913 5.614,914 6.487,915 5.156,916 5.114,917 7.06,918 3.31,919 17.962,920 5.042,921 8.201,922 1.47,923 1.486,924 1.482,925 1.461,926 1.46,927 1.809,928 0.204,929 3.977,930 1.434,931 4.049,932 4.087,933 3.984,934 3.981,935 7.429,936 3.977,937 3.995,938 4.028,939 3.93,940 3.935,941 4.844,942 3.93,943 3.837,944 3.896,945 3.731,946 3.707,947 4.741,948 3.705,949 3.748,950 3.795,951 3.642,952 3.643,953 4.62,954 3.635,955 3.672,956 3.723,957 3.566,958 3.515,959 4.337,960 3.518,961 3.532,962 3.594,963 3.385,964 3.409,965 4.164,966 3.394,967 3.423,968 3.487,969 3.274,970 3.24,971 4.053,972 3.241,973 3.182,974 3.268,975 3.015,976 3.011,977 3.855,978 2.999,979 0.111,980 0.09,981 0.167,982 0.102,983 0.078,984 4.425,985 0.102,986 3.614,987 0.048,988 6.685,989 0.27,990 4.088,991 0.076,992 3.114,993 4.06,994 1.909,995 10.818,996 3.042,997 1.999,998 1.974,999 2.13,1000 2.094,1001 1.433,1002 2.106,1003 1.998,1004 1.969,1005 2.101,1006 2.09,1007 1.381,1008 2.097,1009 1.816,1010 1.762,1011 2.022,1012 1.985,1013 1.282,1014 2,1015 1.751,1016 1.704,1017 1.937,1018 1.89,1019 1.16,1020 1.909,1021 1.657,1022 1.597,1023 1.857,1024 1.812,1025 0.966,1026 1.829,1027 1.546,1028 1.488,1029 1.776,1030 1.704,1031 0.934,1032 1.73,1033 1.401,1034 1.338,1035 1.662,1036 1.62,1037 0.914,1038 1.638,1039 1.18,1040 1.104,1041 1.513,1042 1.411,1043 0.825,1044 1.436,1045 4.394,1046 5.68,1048 7.174,1050 8.764,1052 10.404,1057 12.721,1058 3.297,1059 0.2,1060 5.118,1063 45.261,1064 96.276,1065 225.634,1066 312.211,1067 392,1068 418.407,1069 423.161,1070 56.88,1071 8.325,1072 35.58,1073 35.58,1074 30,1075 12.661,1076 4.322,1077 3.459,1078 55.128,1079 223,1080 168,1081 0.117,1082 275.864,1083 483.05,1084 664.867,1085 67936,1087 24.581,1088 0.683,1089 0.594,1090 24.581,1091 21.371,1092 17.776,1093 0.444,1094 0.344,1095 13.675,1096 17.437,1097 13.397,1098 11.073,1099 17.776,1100 13.767,1101 15.169,1102 0.286,1103 0.193,1104 15.169,1105 10.234,1106 12.865,1107 0.184,1108 0.111,1109 12.865,1110 7.785,1111 10.928,1112 0.12,1113 0.064,1114 10.928,1115 5.792,1116 9.136,1117 0.079,1118 0.037,1119 9.136,1120 4.26,1121 0.195,1122 108.829,1123 0.189,1124 34.207,1125 0.291,1126 186,1127 393.359,1128 194.764,1129 392.231,1130 550.27,1131 372,1132 216,1133 408.538,1134 225.21,1135 418.128,1136 610.7,1137 398,1138 5.752}
{0 CHEMBL243955,1 1.32,2 15.394,3 5.253,4 27.59,5 139.219,6 6.147,7 0.333,8 4.343,9 4.489,10 3.75,11 3.859,12 5.235,13 3.796,14 4.948,15 5.171,16 4.07,17 4.276,18 5.754,19 4.179,20 5.255,21 5.51,22 4.147,23 4.477,24 6.004,25 4.336,26 5.346,27 5.616,28 4.103,29 4.503,30 6.082,31 4.336,32 5.38,33 5.668,34 4.017,35 4.469,36 6.124,37 4.29,38 5.326,39 5.623,40 3.846,41 4.373,42 6.049,43 4.167,44 5.23,45 5.548,46 3.651,47 4.219,48 5.894,49 3.991,50 5.049,51 5.374,52 3.555,53 4.065,54 5.64,55 3.856,56 0.087,57 1.062,58 18.059,59 6.947,60 10.676,61 10.373,62 0.311,63 1.751,64 33.04,65 11.232,66 24.448,67 17.467,68 0.401,69 2.193,70 44.135,71 15.784,72 34.315,73 23.823,74 0.352,75 2.297,76 47.816,77 17.305,78 38.864,79 26.151,80 0.44,81 2.282,82 49.578,83 17.026,84 48.024,85 26.021,86 0.411,87 2.078,88 46.527,89 16.765,90 47.667,91 25.04,92 0.427,93 1.811,94 41.86,95 15.125,96 45.31,97 22.628,98 0.282,99 1.547,100 34.771,101 12.276,102 24.522,103 18.799,104 11,105 48,106 0.207,107 0.466,108 0.679,109 0.809,110 0.839,111 0.852,112 3.531,113 1.06,114 -4.91,115 -4.81,116 -4.52,117 38.4,119 7,121 2,122 5,123 1,124 8,125 2,126 2,130 1,135 15,137 4,139 1,140 3,141 15,143 2,144 6,146 4,147 11,150 6,151 4,152 7,154 7,157 2,159 7,161 1,162 6,167 8,169 1,170 3,171 1,173 10,175 2,181 10,184 3,187 8,188 1946,189 22.604,190 22.604,191 22.604,192 22.604,193 22.604,194 21.02,195 29.47,196 13.744,197 22.961,198 17.803,199 17.803,200 17.803,201 17.803,202 17.803,203 15.361,204 39.562,205 6.52,206 18.358,207 4.87,208 3.216,209 1.862,210 1.034,211 0.843,212 0.76,213 4.231,217 1103,218 3.937,220 452.334,222 175.32,223 2.419,224 18.142,226 1,227 1,228 0.83,229 1,230 1,231 0.98,232 69,233 508,234 4.351,235 3.614,236 6.636,237 4.033,238 3.084,239 3.908,240 1.909,241 10.581,242 3.013,243 4.313,244 3.311,245 6.513,246 4.032,247 3.042,248 3.872,249 0.8,250 10.232,251 2.929,252 3.682,253 3.242,254 5.617,255 3.494,256 2.568,257 2.866,258 0.8,259 7.359,260 2.403,261 3.605,262 2.878,263 5.333,264 3.402,265 2.398,266 2.648,267 0.8,268 6.763,269 2.369,270 3.287,271 2.572,272 5.285,273 3.138,274 2.22,275 2.356,276 0.561,277 6.607,278 2.039,279 3.178,280 2.326,281 4.855,282 2.954,283 1.956,284 2.315,285 5.416,286 1.946,287 3.044,288 1.854,289 4.358,290 2.683,291 1.712,292 2.226,293 4.033,294 1.66,295 2.943,296 1.71,297 4.135,298 2.618,299 1.618,300 2.101,301 3.769,302 1.618,303 2.657,304 1.693,305 3.706,306 2.55,307 1.556,308 1.667,309 3.267,310 1.542,311 2.56,312 1.305,313 3.64,314 2.27,315 1.27,316 1.568,317 2.831,318 1.269,319 2.462,320 1.272,321 3.586,322 2.146,323 1.168,324 1.45,325 2.791,326 1.14,327 2.314,328 1.146,329 3.466,330 1.972,331 1,332 1.275,333 2.304,334 0.969,335 2.146,336 1.102,337 3.414,338 1.967,339 1,340 1.09,341 2.275,342 0.965,343 2,344 1.066,345 3.33,346 1.907,347 0.921,348 1,349 2.129,350 0.907,351 1.837,352 1.005,353 3.081,354 1.736,355 0.74,356 0.788,357 1.626,358 0.734,359 15.933,360 0.483,361 0.644,362 0.02,363 35.5,364 1.076,365 14.5,366 0.439,367 21,368 0.636,369 35.044,370 1.062,371 37.467,372 0.513,373 24.79,374 0.751,375 6.569,376 0.199,377 9.545,378 0.289,379 0.084,381 0.264,382 0.842,383 1.531,384 0.992,385 1.258,386 0.59,387 1.153,388 1.157,389 1.142,390 1.076,391 1.016,392 0.58,393 1.022,394 1.121,395 1.037,396 1.073,397 1.03,398 0.992,399 1.042,400 1.027,401 1.154,402 1.056,403 1.116,404 1.025,405 1.093,406 1.308,407 0.983,408 1.091,409 1,410 1.278,411 1.02,412 1.161,413 0.989,414 1.062,415 1.05,416 1.389,417 1.053,418 0.986,419 0.879,420 0.935,421 0.922,422 1.312,423 0.932,424 0.865,425 0.807,426 0.849,427 0.817,428 0.704,429 0.825,430 5,431 0.128,432 3.333,433 1.938,434 1.44,435 0.924,436 0.484,437 0.354,438 0.18,439 0.132,440 19394,441 36453,442 2.097,443 54.8,444 8,445 25,448 1,449 2,450 4,452 1.742,453 2,454 3.842,455 -0.442,459 96.374,460 1.32,461 2.973,462 4.328,463 5.155,464 5.347,465 5.429,466 3.207,467 4.56,468 5.023,469 4.107,470 2168.5,471 8.732,472 36449.2,475 451.857,476 1.241,477 4.992,478 0.139,479 0.005,480 0.069,481 0.039,482 0.031,483 0.023,484 0.015,485 0.013,486 0.007,487 0.005,488 0.346,489 0.33,490 1,491 0.62,492 182.101,493 0.047,494 -0.228,495 0.071,496 -0.07,497 0.023,498 -0.011,499 -0.024,500 0.047,501 -0.022,502 0.024,503 0.062,504 0.008,505 -0.039,506 0.038,507 -0.055,508 -0.015,509 -0.059,510 -0.034,511 -0.039,512 -0.139,513 -0.063,514 -0.109,515 -0.033,516 -0.091,517 -0.121,518 0.006,519 -0.088,520 -0.039,521 -0.063,522 -0.055,523 -0.039,524 -0.051,525 -0.079,526 -0.084,527 -0.042,528 -0.085,529 0.072,530 0.004,531 0.03,532 0.02,533 -0.01,534 0.018,535 0.004,536 0.099,537 0.108,538 0.114,539 0.027,540 0.122,541 1.454,542 5.502,543 0.667,544 39.243,545 0.981,546 1.133,547 3.678,548 13.527,549 0.633,550 3.611,551 3.892,552 4.143,553 4.382,554 4.585,555 4.533,556 4.595,557 4.644,558 4.635,559 4.489,560 9.398,561 0.579,562 448.72,563 3.611,564 5.13,565 5.964,566 6.821,567 7.672,568 8.534,569 9.391,570 10.256,571 11.116,572 11.983,573 5.5,575 1,577 2,578 1,584 8,587 4,588 12,593 2,596 73,597 13,598 2,599 36,600 76,601 28,602 12,603 4,604 8,606 4,607 5,610 4,612 8,614 13,615 15,617 1,620 1,621 1,624 40,625 5,626 1,627 5,629 4,630 0.75,631 1,636 4,638 1,639 1,642 1,643 3,645 2,647 33,651 12,652 1,653 1,654 3,659 1.4,661 1,663 16.5,664 13.267,665 7.389,666 4.813,667 2.082,668 1.265,669 0.966,670 8.687,671 9.926,672 3.784,673 4.248,674 4.714,675 5.175,676 5.605,677 5.566,678 5.751,679 5.851,680 5.984,681 5.833,682 0.9,683 50,684 12.304,686 5.086,687 7.414,688 24.74,689 20.68,690 1.914,691 63.167,694 459.073,695 137.462,696 27.384,698 25.145,700 137.462,701 484.218,702 27.384,703 16.793,704 46.281,705 75.81,706 29.85,707 21.258,709 459.073,711 459.073,712 164.846,713 25.145,715 411.989,716 72.229,718 49.405,719 115.441,721 459.073,722 52.529,723 137.462,725 459.073,726 44.86,727 101.976,728 18.011,729 25.145,730 459.073,731 52.529,732 137.462,733 0.568,734 0.33,735 0.184,736 0.101,737 21,738 9,739 0.118,740 9,741 1,742 1.091,743 4.625,744 282.602,745 0.091,746 22,747 155.71,749 24.097,750 11.896,751 6.515,753 52.529,754 17.261,757 5.36,758 18.011,759 649.064,760 43,763 12.502,764 0.213,765 71.639,766 82.676,767 0.213,768 0.48,769 0.699,770 0.833,771 0.864,772 0.877,773 5.017,774 1.618,775 5.916,776 4.033,777 4.575,778 4.934,779 2.349,780 6.686,781 4.515,782 6.15,783 1.556,784 7.445,785 3.769,786 4.007,787 4.511,788 1.803,789 7.538,790 3.888,791 7.41,792 1.27,793 9.08,794 3.267,795 6.116,796 6.923,797 2.993,798 10.647,799 5.988,800 8.704,801 1.168,802 10.783,803 2.831,804 6.415,805 7.372,806 3.076,807 12.395,808 6.229,809 10.037,810 1,811 12.53,812 2.791,813 7.951,814 9.257,815 4.06,816 15.004,817 7.757,818 11.397,819 1,820 14.31,821 2.304,822 8.672,823 10.133,824 4.421,825 17.107,826 8.43,827 12.779,828 0.921,829 16.112,830 2.275,831 9.961,832 11.779,833 5.261,834 19.549,835 9.704,836 3.084,837 0.74,838 17.931,839 2.129,840 10.89,841 12.873,842 5.758,843 21.795,844 10.594,845 3.042,846 10.581,847 19.764,848 1.626,849 12.073,850 14.396,851 6.511,852 24.177,853 11.757,854 2.568,855 10.232,856 21.606,857 3.908,858 13.1,859 15.605,860 7.078,861 26.482,862 12.751,863 2.398,864 7.359,865 23.456,866 3.872,867 14.24,868 17.061,869 7.782,870 28.841,871 13.869,872 2.22,873 6.763,874 25.313,875 2.866,876 15.314,877 18.334,878 8.386,879 31.17,880 14.913,881 1.956,882 6.607,883 27.174,884 2.648,885 16.438,886 19.75,887 9.064,888 33.522,889 16.012,890 1.712,891 5.416,892 29.04,893 2.356,894 17.534,895 21.058,896 9.687,897 35.861,898 17.08,899 18196,900 25047,901 24.444,902 46.182,903 52.928,904 53.518,905 53.995,906 52.69,907 52.652,908 62.414,909 9.74,910 144.316,911 51.149,912 5.351,913 5.614,914 6.407,915 5.101,916 5.084,917 6.908,918 3.31,919 17.561,920 5.013,921 13.807,922 1.47,923 1.487,924 1.5,925 1.464,926 1.463,927 1.734,928 0.271,929 4.009,930 1.421,931 4.029,932 4.071,933 3.955,934 3.955,935 7.429,936 3.949,937 3.969,938 4.013,939 3.903,940 3.868,941 4.774,942 3.871,943 3.798,944 3.859,945 3.678,946 3.653,947 4.736,948 3.648,949 3.692,950 3.752,951 3.579,952 3.52,953 4.339,954 3.524,955 3.533,956 3.596,957 3.387,958 3.409,959 4.202,960 3.394,961 3.44,962 3.53,963 3.28,964 3.24,965 4.164,966 3.241,967 3.418,968 3.485,969 3.257,970 3.206,971 4.053,972 3.207,973 3.182,974 3.268,975 3.014,976 3.011,977 3.854,978 2.999,979 0.121,980 0.1,981 0.184,982 0.112,983 0.086,984 4.351,985 0.109,986 3.614,987 0.053,988 6.636,989 0.294,990 4.033,991 0.084,992 3.084,993 3.908,994 1.909,995 10.581,996 3.013,997 1.999,998 1.969,999 2.13,1000 2.092,1001 1.433,1002 2.106,1003 1.93,1004 1.892,1005 2.063,1006 2.078,1007 1.38,1008 2.078,1009 1.785,1010 1.724,1011 1.998,1012 1.955,1013 1.273,1014 1.971,1015 1.668,1016 1.605,1017 1.891,1018 1.862,1019 1.087,1020 1.877,1021 1.546,1022 1.488,1023 1.776,1024 1.708,1025 0.943,1026 1.731,1027 1.415,1028 1.339,1029 1.721,1030 1.667,1031 0.933,1032 1.691,1033 1.399,1034 1.317,1035 1.662,1036 1.618,1037 0.825,1038 1.637,1039 1.18,1040 1.104,1041 1.513,1042 1.411,1043 0.774,1044 1.436,1045 4.29,1046 5.58,1048 7.071,1050 8.657,1052 10.296,1053 4.229,1057 12.818,1058 3.29,1059 0.205,1060 7.29,1063 42.283,1064 96.374,1065 217.058,1066 315.909,1067 376.347,1068 390.347,1069 396.347,1070 56.528,1071 7.845,1072 38.82,1073 38.82,1074 24,1075 12.53,1076 3.807,1077 3,1078 55.07,1079 194,1080 136,1081 0.135,1082 260.464,1083 456.03,1084 627.292,1085 36182,1087 23.045,1088 0.698,1089 0.619,1090 23.045,1091 20.431,1092 16.114,1093 0.448,1094 0.353,1095 12.595,1096 15.661,1097 12.246,1098 10.178,1099 16.114,1100 12.724,1101 14.015,1102 0.292,1103 0.203,1104 14.015,1105 9.734,1106 11.466,1107 0.185,1108 0.115,1109 11.466,1110 7.159,1111 9.608,1112 0.122,1113 0.067,1114 9.608,1115 5.29,1116 7.858,1117 0.081,1118 0.04,1119 7.858,1120 3.863,1121 0.226,1122 99.602,1123 0.202,1124 31.876,1125 0.336,1126 168,1127 363.004,1128 178.513,1129 357.466,1130 495.9,1131 338,1132 194,1133 364.65,1134 205.569,1135 373.642,1136 542.45,1137 352,1138 5.932}
{0 CHEMBL244161,1 1.332,2 15.281,3 4.899,4 24.001,5 134.984,6 6.21,7 0.343,8 4.304,9 4.451,10 3.719,11 3.826,12 5.205,13 3.765,14 4.904,15 5.12,16 4.033,17 4.243,18 5.724,19 4.143,20 5.223,21 5.485,22 4.105,23 4.427,24 5.968,25 4.287,26 5.278,27 5.543,28 4.043,29 4.441,30 6.027,31 4.276,32 5.324,33 5.614,34 3.948,35 4.401,36 6.07,37 4.219,38 5.255,39 5.555,40 3.779,41 4.285,42 5.986,43 4.082,44 5.121,45 5.433,46 3.598,47 4.13,48 5.81,49 3.915,50 4.955,51 5.267,52 3.517,53 4.01,54 5.575,55 3.809,56 0.086,57 1.022,58 17.217,59 6.65,60 10.148,61 9.886,62 0.284,63 1.684,64 31.444,65 10.95,66 23.764,67 16.846,68 0.4,69 2.107,70 42.732,71 15.085,72 34.153,73 22.828,74 0.338,75 2.16,76 44.813,77 16.109,78 36.744,79 24.33,80 0.415,81 2.142,82 46.924,83 16.153,84 46.473,85 24.604,86 0.403,87 1.921,88 43.537,89 15.39,90 46.816,91 23.066,92 0.409,93 1.644,94 37.916,95 13.566,96 42.724,97 20.265,98 0.245,99 1.439,100 31.853,101 11.518,102 22.426,103 17.451,104 6,105 46,106 0.211,107 0.482,108 0.691,109 0.832,110 0.868,111 0.877,112 3.501,113 1.059,114 -4.71,115 -4.63,116 -4.35,117 38.6,119 7,121 1,122 5,123 1,124 8,125 2,126 2,130 1,135 15,137 3,139 1,140 4,141 15,143 1,144 4,145 1,146 6,147 11,150 5,151 5,152 7,154 7,157 2,159 7,162 6,163 1,167 8,169 1,170 3,171 1,173 10,175 1,179 1,181 10,184 2,186 1,187 8,188 1790,189 22.267,190 22.267,191 22.267,192 22.267,193 22.267,194 20.658,195 29.278,196 13.584,197 22.598,198 17.257,199 17.257,200 17.257,201 17.257,202 17.257,203 14.779,204 39.562,205 6.373,206 17.739,207 4.797,208 3.083,209 1.76,210 0.868,211 0.639,212 0.582,213 4.204,217 1066,218 3.674,220 437.384,222 168.717,223 2.389,224 18.463,226 1,227 1,228 0.83,229 1,230 1,231 0.98,232 67,233 489,234 4.313,235 3.614,236 6.513,237 4.032,238 3.042,239 3.872,240 1.909,241 10.232,242 3.013,243 4.294,244 3.244,245 6.498,246 3.969,247 3.018,248 3.862,249 0.8,250 10.161,251 2.872,252 3.682,253 3.242,254 5.41,255 3.451,256 2.519,257 2.866,258 0.8,259 7.091,260 2.401,261 3.572,262 2.808,263 5.333,264 3.4,265 2.397,266 2.62,267 0.561,268 6.762,269 2.337,270 3.193,271 2.335,272 5.115,273 2.998,274 2.059,275 2.317,276 0.4,277 6.014,278 1.959,279 3.174,280 2.326,281 4.855,282 2.946,283 1.952,284 2.28,285 5.415,286 1.908,287 2.943,288 1.712,289 4.135,290 2.618,291 1.618,292 2.101,293 3.77,294 1.618,295 2.917,296 1.704,297 4.03,298 2.563,299 1.568,300 2.085,301 3.419,302 1.556,303 2.655,304 1.581,305 3.686,306 2.476,307 1.493,308 1.666,309 3.218,310 1.466,311 2.56,312 1.305,313 3.597,314 2.27,315 1.27,316 1.568,317 2.83,318 1.269,319 2.461,320 1.258,321 3.584,322 2.136,323 1.156,324 1.449,325 2.789,326 1.131,327 2.147,328 1.146,329 3.414,330 1.967,331 1,332 1.091,333 2.275,334 0.965,335 2,336 1.068,337 3.33,338 1.908,339 0.921,340 1,341 2.13,342 0.908,343 1.849,344 1.005,345 3.082,346 1.741,347 0.744,348 0.798,349 1.631,350 0.739,351 1.64,352 0.72,353 2.774,354 1.423,355 0.485,356 0.545,357 0.762,358 0.454,359 15.433,360 0.482,361 0.516,362 0.016,363 34.75,364 1.086,365 14.5,366 0.453,367 20.25,368 0.633,369 32.927,370 1.029,371 36.167,372 0.517,373 23.576,374 0.737,375 6.43,376 0.201,377 9.311,378 0.291,379 0.054,381 0.246,382 0.868,383 1.46,384 0.987,385 1.213,386 0.588,387 1.122,388 1.061,389 1.205,390 1.089,391 1.086,392 0.595,393 1.078,394 1.107,395 0.993,396 1.034,397 0.982,398 0.961,399 0.996,400 1.072,401 1.169,402 1.097,403 1.142,404 1.06,405 1.125,406 1.257,407 0.983,408 1.068,409 1,410 1.282,411 1.013,412 1.188,413 0.943,414 1.026,415 0.998,416 1.411,417 1.003,418 1.064,419 0.851,420 0.951,421 0.906,422 1.387,423 0.926,424 0.82,425 0.889,426 0.891,427 0.908,428 0.742,429 0.904,430 4.5,431 0.111,432 3.111,433 1.688,434 1.24,435 0.75,436 0.464,437 0.295,438 0.156,439 0.113,440 18065,441 34628,442 2.12,443 54.3,444 8,445 22,448 2,449 2,450 4,452 1.734,453 2.043,454 3.844,455 0.115,459 93.247,460 1.332,461 3.046,462 4.369,463 5.261,464 5.49,465 5.547,466 3.207,467 4.226,468 4.978,469 4.09,470 2028.47,471 8.642,472 33315.8,475 429.05,476 1.122,477 4.957,478 0.129,479 0.005,480 0.068,481 0.035,482 0.029,483 0.02,484 0.015,485 0.011,486 0.006,487 0.005,488 0.322,489 0.33,490 1,491 0.563,492 175.017,493 0.015,494 -0.162,495 0.063,496 -0.036,497 0.025,498 0.008,499 -0.006,500 -0.023,501 -0.05,502 -0.034,503 0.05,504 -0.042,505 -0.03,506 0.063,507 -0.024,508 0.017,509 -0.041,511 -0.063,512 -0.148,513 -0.102,514 -0.135,515 -0.049,516 -0.124,517 -0.101,518 -0.012,519 -0.071,520 -0.041,521 -0.059,522 -0.05,523 -0.033,524 -0.019,525 -0.042,526 -0.044,527 -0.033,528 -0.044,529 0.053,530 0.041,531 0.023,532 0.04,533 -0.021,534 0.027,535 0.008,536 0.031,537 0.067,538 0.05,539 0.013,540 0.064,541 1.455,542 5.477,543 0.688,544 37.559,545 0.982,546 1.132,547 3.48,548 12.108,549 0.635,550 3.584,551 3.85,552 4.111,553 4.344,554 4.543,555 4.489,556 4.554,557 4.595,558 4.575,559 4.443,560 9.241,561 0.582,562 434.69,563 3.584,564 5.094,565 5.927,566 6.779,567 7.627,568 8.485,569 9.339,570 10.199,571 11.056,572 11.918,573 5.7,575 1,576 1,577 1,578 1,584 8,587 4,588 12,591 1,593 1,596 70,597 13,598 2,599 35,600 73,601 27,602 12,603 4,604 8,606 4,607 5,610 4,612 8,614 13,615 14,617 1,620 1,621 1,624 38,625 5,626 2,627 5,629 4,630 0.75,631 1,636 4,638 1,639 1,642 1,643 3,645 1,647 32,651 12,652 2,653 1,654 2,659 1.4,661 1,663 15.667,664 12.317,665 7.278,666 4.675,667 2.04,668 1.263,669 0.974,670 8.469,671 9.804,672 3.761,673 4.22,674 4.687,675 5.14,676 5.569,677 5.514,678 5.692,679 5.811,680 5.929,681 5.778,682 0.9,683 48,684 11.93,686 4.947,687 7.427,688 23.958,689 20.069,690 1.927,691 61.667,694 423.76,695 129.066,696 42.27,698 25.145,700 129.066,701 448.905,702 42.27,703 8.396,704 46.281,705 75.81,706 47.86,707 18.133,709 423.76,711 423.76,712 171.336,713 25.145,715 376.675,716 72.229,718 49.405,719 103.92,720 18.011,721 423.76,722 67.415,723 129.066,725 423.76,726 44.86,727 90.455,728 36.022,729 25.145,730 423.76,731 67.415,732 129.066,733 0.562,734 0.332,735 0.186,736 0.101,737 20,738 8,739 0.123,740 9,741 1,742 1.091,743 4.584,744 269.634,745 0.091,746 22,747 154,749 23.13,750 11.716,751 6.274,753 67.415,754 17.116,757 5.236,758 36.022,759 620.241,760 42,763 12.477,764 0.212,765 68.756,766 79.261,767 0.217,768 0.497,769 0.713,770 0.858,771 0.896,772 0.905,773 4.984,774 1.568,775 5.866,776 3.77,777 4.533,778 4.905,779 2.286,780 6.624,781 4.479,782 6.108,783 1.493,784 7.385,785 3.419,786 3.892,787 4.443,788 1.738,789 7.445,790 3.794,791 7.365,792 1.27,793 9.009,794 3.218,795 6.061,796 6.895,797 2.972,798 10.551,799 5.947,800 8.655,801 1.156,802 10.7,803 2.83,804 6.312,805 7.319,806 3.061,807 12.274,808 6.151,809 9.985,810 1,811 12.437,812 2.789,813 7.877,814 9.223,815 4.055,816 14.869,817 7.703,818 11.341,819 0.921,820 14.207,821 2.275,822 8.566,823 10.078,824 4.419,825 16.95,826 8.353,827 12.719,828 0.744,829 15.999,830 2.13,831 9.867,832 11.734,833 5.26,834 19.373,835 9.637,836 3.042,837 0.485,838 17.808,839 1.631,840 10.773,841 12.811,842 5.758,843 21.597,844 10.511,845 3.018,846 10.232,847 19.631,848 0.762,849 11.957,850 14.339,851 6.511,852 23.959,853 11.678,854 2.519,855 10.161,856 21.464,857 3.872,858 12.968,859 15.534,860 7.078,861 26.24,862 12.661,863 2.397,864 7.091,865 23.304,866 3.862,867 14.103,868 16.991,869 7.782,870 28.578,871 13.778,872 2.059,873 6.762,874 25.151,875 2.866,876 15.164,877 18.252,878 8.386,879 30.883,880 14.814,881 1.952,882 6.014,883 27.002,884 2.62,885 16.28,886 19.666,887 9.064,888 33.212,889 15.911,890 1.618,891 5.415,892 28.858,893 2.317,894 17.364,895 20.965,896 9.687,897 35.526,898 16.973,899 16883,900 23470,901 24.038,902 44.421,903 50.801,904 51.597,905 51.92,906 50.595,907 50.614,908 60.371,909 8.94,910 137.297,911 49.314,912 5.313,913 5.614,914 6.284,915 5.1,916 5.042,917 6.872,918 3.31,919 17.059,920 5.013,921 11.023,922 1.451,923 1.474,924 1.483,925 1.446,926 1.446,927 1.725,928 0.255,929 3.923,930 1.409,931 4.027,932 4.068,933 3.952,934 3.954,935 7.429,936 3.948,937 3.963,938 4.009,939 3.896,940 3.862,941 4.785,942 3.865,943 3.795,944 3.854,945 3.675,946 3.653,947 4.739,948 3.648,949 3.69,950 3.749,951 3.577,952 3.519,953 4.34,954 3.523,955 3.533,956 3.595,957 3.386,958 3.409,959 4.184,960 3.394,961 3.424,962 3.489,963 3.275,964 3.24,965 4.163,966 3.241,967 3.314,968 3.419,969 3.12,970 3.065,971 4.053,972 3.064,973 3.182,974 3.268,975 3.014,976 3.01,977 3.854,978 2.998,979 0.123,980 0.103,981 0.186,982 0.115,983 0.087,984 4.313,985 0.111,986 3.614,987 0.055,988 6.513,989 0.292,990 4.032,991 0.086,992 3.042,993 3.872,994 1.909,995 10.232,996 3.013,997 1.999,998 1.969,999 2.13,1000 2.092,1001 1.433,1002 2.106,1003 1.925,1004 1.887,1005 2.061,1006 2.074,1007 1.38,1008 2.074,1009 1.783,1010 1.723,1011 1.994,1012 1.949,1013 1.271,1014 1.966,1015 1.666,1016 1.604,1017 1.887,1018 1.858,1019 1.065,1020 1.871,1021 1.546,1022 1.488,1023 1.776,1024 1.706,1025 0.94,1026 1.73,1027 1.401,1028 1.338,1029 1.663,1030 1.623,1031 0.932,1032 1.641,1033 1.293,1034 1.189,1035 1.637,1036 1.577,1037 0.825,1038 1.603,1039 1.18,1040 1.104,1041 1.513,1042 1.411,1043 0.751,1044 1.436,1045 4.263,1046 5.541,1048 7.027,1050 8.61,1052 10.244,1053 1.989,1057 12.793,1058 6.589,1059 0.205,1060 5.049,1063 40.756,1064 93.247,1065 213.225,1066 305.856,1067 368.295,1068 384.295,1069 388.295,1070 53.82,1071 7.765,1072 47.61,1073 47.61,1074 24,1075 12.468,1076 3.807,1077 3,1078 52.556,1079 185,1080 132,1081 0.135,1082 250.872,1083 438.73,1084 603.887,1085 32703,1087 22.175,1088 0.693,1089 0.609,1090 22.175,1091 19.484,1092 15.742,1093 0.45,1094 0.353,1095 12.239,1096 15.32,1097 11.963,1098 9.913,1099 15.742,1100 12.356,1101 13.276,1102 0.289,1103 0.198,1104 13.276,1105 9.118,1106 11.227,1107 0.187,1108 0.116,1109 11.227,1110 6.969,1111 9.37,1112 0.123,1113 0.068,1114 9.37,1115 5.141,1116 7.629,1117 0.082,1118 0.04,1119 7.629,1120 3.741,1121 0.226,1122 97.18,1123 0.204,1124 31.126,1125 0.336,1126 162,1127 351.691,1128 172.152,1129 346.11,1130 481.22,1131 328,1132 187,1133 353.946,1134 197.737,1135 360.237,1136 524.89,1137 342,1138 7.7}
{0 CHEMBL282199,1 1.539,2 10.125,3 3.064,4 9.387,5 96.886,6 6.78,7 0.231,8 4.025,9 4.144,10 3.675,11 3.561,12 4.904,13 3.484,14 4.658,15 4.852,16 3.985,17 3.999,18 5.713,19 3.892,20 4.99,21 5.229,22 4.047,23 4.197,24 5.86,25 4.026,26 5.097,27 5.357,28 3.97,29 4.143,30 6.042,31 3.974,32 5.002,33 5.269,34 3.794,35 3.997,36 6.096,37 3.848,38 4.821,39 5.076,40 3.686,41 3.964,42 5.679,43 3.803,44 4.85,45 5.109,46 3.664,47 3.986,48 5.626,49 3.79,50 4.869,51 5.154,52 3.422,53 3.829,54 5.739,55 3.621,56 0.098,57 0.767,58 16.115,59 5.523,60 14.353,61 7.391,62 0.359,63 1.286,64 26.744,65 9.315,66 50.761,67 12.861,68 0.294,69 1.629,70 41.5,71 13.646,72 43.867,73 17.912,74 0.514,75 1.609,76 47.345,77 14.186,78 74.209,79 18.61,80 0.789,81 1.413,82 40.421,83 11.426,84 127.416,85 16.126,86 0.442,87 1.3,88 30.623,89 10.169,90 50.808,91 14.531,92 0.235,93 1.325,94 34.158,95 11.823,96 32.308,97 15.911,98 0.448,99 1.191,100 35.402,101 10.785,102 66.638,103 14.646,104 17,105 37,106 0.262,107 0.506,108 0.703,109 0.813,110 0.849,111 0.849,112 3.228,113 1.204,114 -3.34,115 -3.32,116 -3.18,117 34.6,118 1,119 5,120 1,122 4,123 1,124 4,126 2,135 6,136 3,137 6,140 2,141 7,144 7,146 1,147 2,149 1,150 11,151 1,152 2,154 4,155 3,159 7,161 2,162 2,167 6,170 3,172 3,173 6,175 6,181 2,184 3,185 1,187 5,188 838,189 15.841,190 15.841,191 15.841,192 15.841,193 15.841,194 14.825,195 21.005,196 9.264,197 16.201,198 12.813,199 12.813,200 12.813,201 12.813,202 12.813,203 11.229,204 28.756,205 4.386,206 13.425,207 4.162,208 2.724,209 1.567,210 0.919,211 0.707,212 0.707,213 3.903,215 1,216 1,217 516,218 3.317,219 71.268,220 160.43,223 1.479,224 32.297,225 1,226 1,227 1,228 1,229 1,230 1,231 1,232 52,233 243,234 4.949,235 4.731,236 7.725,237 4.478,238 3.552,239 4.767,240 0.8,241 13.917,242 3.266,243 3.894,244 2.977,245 6.065,246 3.628,247 2.676,248 3.421,249 0.4,250 8.405,251 2.544,252 3.654,253 2.835,254 5.416,255 3.534,256 2.576,257 2.69,259 7.146,260 2.472,261 3.537,262 2.58,263 5.2,264 3.283,265 2.318,266 2.569,268 6.381,269 2.231,270 3.093,271 2.198,272 4.891,273 3.039,274 2.083,275 2.163,277 5.685,278 1.979,279 2.979,280 1.718,281 4.72,282 2.533,283 1.562,284 2.073,285 4.496,286 1.508,287 2.615,288 1.4,289 3.949,290 2.278,291 1.298,292 1.661,293 3.122,294 1.27,295 2.322,296 1.212,297 3.495,298 2.124,299 1.132,300 1.312,301 2.54,302 1.121,303 2,304 1.077,305 3.436,306 1.984,307 1,308 1,309 2.275,310 0.983,311 1.931,312 0.902,313 3.414,314 1.754,315 0.787,316 0.868,317 2.049,318 0.759,319 1.583,320 0.705,321 3.104,322 1.557,323 0.583,324 0.583,325 1.36,326 0.566,327 1,328 0.072,329 2.798,330 0.813,331 -0.173,332 -0.174,333 -0.38,334 -0.171,335 0.943,336 -0.058,337 2.484,338 0.527,339 -0.403,340 -0.509,341 -0.895,342 -0.368,343 0.831,344 -0.123,345 2.268,346 0.186,347 -0.771,348 -0.83,349 -2.08,350 -0.715,351 0.677,352 -0.72,353 2,354 0.158,355 -0.822,356 -1,357 -2.181,358 -0.803,359 11.633,360 0.485,361 0.708,362 0.029,363 24.5,364 1.021,365 9.5,366 0.396,367 15,368 0.625,369 24.921,370 1.038,371 28.567,372 0.549,373 16.694,374 0.696,375 3.954,376 0.165,377 7.51,378 0.313,379 0.129,380 0.072,381 0.241,382 0.614,383 1.562,384 0.93,385 1.388,386 0.705,387 1.16,388 0.665,389 1.184,390 0.886,391 1.008,392 0.463,393 1.052,394 0.877,395 1.162,396 1.19,397 1.209,398 0.676,399 1.097,400 1.189,401 1.042,402 1.171,403 1.14,404 1.301,405 0.99,406 1.22,407 0.864,408 0.983,409 0.844,410 1.325,411 0.846,412 0.955,413 0.908,414 0.882,415 0.838,416 0.962,417 1.005,418 0.726,419 1.161,420 1.074,421 1.201,422 0.635,423 1.147,424 1.263,425 0.905,426 1.071,427 0.945,428 1.309,429 0.948,430 6,431 0.082,432 3.556,433 1.875,434 1.512,435 0.636,436 0.416,437 0.377,438 0.182,439 0.156,440 6227,441 13570,442 2.03,443 53.8,444 4,445 13,448 1,450 8,451 2,452 1.669,453 1.882,454 3.302,455 -0.301,456 1,457 1,459 80.003,460 1.539,461 2.976,462 4.133,463 4.782,464 4.994,465 4.994,466 2.757,467 4.335,468 4.555,469 3.449,470 951.908,471 7.863,472 11125.7,473 1,474 1,475 296.423,476 1.601,477 4.498,478 0.231,479 0.006,480 0.096,481 0.052,482 0.046,483 0.021,484 0.015,485 0.015,486 0.01,487 0.01,488 0.502,489 0.33,490 1,491 0.622,492 113.989,493 0.1,494 -0.211,495 0.234,496 -0.069,497 -0.108,498 0.018,499 0.19,500 0.018,501 0.081,502 0.039,503 0.236,504 -0.01,505 -0.046,506 -0.066,507 -0.036,508 -0.078,509 0.052,510 -0.068,511 -0.048,512 -0.067,513 -0.027,514 -0.085,515 -0.049,516 -0.016,517 0.071,518 0.059,519 0.005,520 0.068,521 0.091,522 0.08,523 -0.039,524 0.103,525 -0.049,526 0.049,527 -0.081,528 -0.038,529 -0.006,530 -0.161,531 -0.075,532 -0.157,533 0.002,534 -0.126,535 -0.133,536 -0.023,537 -0.075,538 -0.006,539 -0.117,540 -0.008,541 4.434,542 5.892,543 0.708,544 20.069,545 0.995,546 1.134,547 2.107,548 4.44,549 0.633,550 3.296,551 3.638,552 3.871,553 4.078,554 4.22,555 4.159,556 4.205,557 4.22,558 4.277,559 4.317,560 5.918,561 0.581,562 352.55,563 3.296,564 4.844,565 5.687,566 6.569,567 7.434,568 8.32,569 9.196,570 10.085,571 10.967,572 11.858,573 3.8,575 2,584 4,587 2,588 6,594 1,596 52,597 8,598 1,599 26,600 54,601 18,602 6,603 2,604 4,606 3,607 3,609 1,610 5,611 1,612 6,614 6,615 12,616 1,617 2,619 1,620 2,622 1,623 1,624 28,625 5,626 1,627 6,628 1,629 2,630 1,631 3,634 1,635 1,636 2,642 1,643 3,644 1,645 1,647 24,649 1,650 1,651 9,653 2,654 2,659 5.8,660 1,661 2,663 12.75,664 9.1,665 5.194,666 3.453,667 1.045,668 1.152,669 0.935,670 5.606,671 7.907,672 3.466,673 3.998,674 4.385,675 4.776,676 5.158,677 5.121,678 5.347,679 5.084,680 5.207,681 5.256,682 0.857,683 36,684 9.229,686 4.207,687 7.767,688 17.788,689 15.54,690 2.267,691 54.417,693 1,694 317.82,695 75.184,696 4.643,698 86.996,699 5.807,700 69.376,701 404.816,702 4.643,703 8.825,704 21.095,705 43.712,706 86.996,707 6.194,709 317.82,711 317.82,712 74.019,713 86.996,714 5.807,715 200.109,716 204.707,718 34.564,719 39.456,720 5.807,721 317.82,722 91.639,723 75.184,724 5.807,725 317.82,726 22.646,727 51.373,729 86.996,730 317.82,731 91.639,732 75.184,733 0.59,734 0.34,735 0.173,736 0.092,737 18,738 8,739 0.093,740 5,742 1,743 3.573,744 192.176,746 17,747 104.039,748 1,749 17.874,750 7.528,751 4.196,753 91.639,754 5.993,757 0.19,758 42.683,759 484.643,760 31,762 -3.517,763 25.785,765 51.749,766 58.942,767 0.27,768 0.522,769 0.725,770 0.839,771 0.876,772 0.876,773 4.741,774 1.132,775 5.714,776 3.122,777 4.317,778 4.682,779 0.824,780 6.578,781 4.221,782 5.938,783 1,784 7.319,785 2.54,786 4.111,787 4.82,788 0.325,789 7.888,790 3.897,791 7.282,792 0.787,793 9.051,794 2.275,795 6.009,796 6.911,797 0.413,798 10.975,799 5.777,800 8.674,801 0.583,802 10.868,803 2.049,804 6.648,805 7.942,806 0.268,807 13.189,808 6.278,809 10.115,810 -0.173,811 12.745,812 1.36,813 8.084,814 9.643,815 0.246,816 15.937,817 7.682,818 11.591,819 -0.403,820 14.666,821 -0.38,822 9.086,823 11.011,824 0.188,825 18.442,826 8.552,827 13.096,828 -0.771,829 16.618,830 -0.895,831 10.382,832 12.61,833 0.157,834 21.109,835 9.79,836 3.552,837 -0.822,838 18.595,839 -2.08,840 11.538,841 14.098,842 0.125,843 23.701,844 10.829,845 2.676,846 13.917,847 20.59,848 -2.181,849 12.799,850 15.67,851 0.102,852 26.346,853 12.015,854 2.576,855 8.405,856 22.598,857 4.767,858 14.018,859 17.202,860 0.082,861 28.965,862 13.131,863 2.318,864 7.146,865 24.615,866 3.421,867 15.274,868 18.766,869 0.067,870 31.602,871 14.304,872 2.083,873 6.381,874 26.639,875 2.69,876 16.52,877 20.315,878 0.054,879 34.231,880 15.455,881 1.562,882 5.685,883 28.668,884 2.569,885 17.779,886 21.877,887 0.043,888 36.865,889 16.628,890 1.298,891 4.496,892 30.702,893 2.163,894 19.036,895 23.433,896 0.035,897 39.497,898 17.795,899 6091,900 9240,901 16.989,902 32.921,903 38.882,904 39.755,905 40.215,906 39.233,907 39.133,908 46.214,909 2.4,910 114.754,911 37.396,912 5.949,913 6.731,914 7.275,915 5.541,916 5.552,917 7.767,918 1.2,919 22.226,920 5.266,921 12.139,922 1.495,923 1.529,924 1.547,925 1.509,926 1.505,927 1.777,928 0.092,929 4.414,930 1.438,931 4.113,932 4.106,933 4.744,934 4.084,935 7.715,936 3.999,937 3.889,938 3.945,939 3.771,940 3.756,941 6.999,942 3.749,943 3.796,944 3.845,945 3.719,946 3.679,947 6.47,948 3.669,949 3.525,950 3.529,951 3.585,952 3.44,953 4.58,954 3.363,955 3.405,956 3.451,957 3.233,958 3.238,959 4.385,960 3.219,961 3.119,962 3.22,963 2.878,964 2.941,965 4.242,966 2.91,967 3.111,968 3.206,969 2.866,970 2.922,971 3.915,972 2.898,973 2.931,974 2.969,975 2.806,976 2.746,977 3.576,978 2.749,979 0.19,980 0.182,981 0.297,982 0.172,983 0.137,984 4.949,985 0.183,986 4.731,987 0.031,988 7.725,989 0.535,990 4.478,991 0.126,992 3.552,993 4.767,994 0.8,995 13.917,996 3.266,997 1.955,998 1.967,999 2.085,1000 2.052,1001 1.451,1002 2.077,1003 1.866,1004 1.806,1005 1.969,1006 2.018,1007 1.313,1008 2.047,1009 1.674,1010 1.623,1011 1.911,1012 1.831,1013 1.204,1014 1.86,1015 1.563,1016 1.528,1017 1.777,1018 1.746,1019 1.065,1020 1.775,1021 1.364,1022 1.322,1023 1.583,1024 1.574,1025 0.84,1026 1.608,1027 1.168,1028 1.104,1029 1.513,1030 1.385,1031 0.825,1032 1.436,1033 1.153,1034 1.064,1035 1.397,1036 1.376,1037 0.655,1038 1.429,1039 0.953,1040 0.863,1041 1.145,1042 1.203,1043 0.417,1044 1.246,1045 3.97,1046 5.303,1047 2.398,1048 6.828,1049 4.595,1050 8.439,1051 6.605,1052 10.098,1053 2.303,1056 9.59,1057 9.059,1059 0.895,1060 4.117,1063 30.223,1064 80.003,1065 154.771,1066 214.939,1067 248.648,1068 259.668,1069 259.668,1070 57.862,1071 6.862,1072 60.85,1073 69.23,1074 17,1075 12.388,1076 3.17,1077 2.585,1078 39.28,1079 83,1080 95,1081 0.229,1082 189.178,1083 330.94,1084 453.355,1085 8402,1087 17.156,1088 0.715,1089 0.634,1090 17.406,1091 15.211,1092 11.464,1093 0.441,1094 0.401,1095 9.025,1096 10.316,1097 8.692,1098 7.183,1099 12.253,1100 10.439,1101 10.791,1102 0.292,1103 0.246,1104 12.091,1105 9.113,1106 8.684,1107 0.185,1108 0.156,1109 10.01,1110 7.35,1111 6.842,1112 0.118,1113 0.096,1114 8.107,1115 5.574,1116 5.276,1117 0.079,1118 0.061,1119 6.407,1120 4.058,1121 0.357,1122 79.378,1123 0.243,1124 23.421,1125 0.635,1126 126,1127 327.771,1128 177.128,1129 334,1130 447.36,1131 306,1132 147,1133 295.529,1134 207.67,1135 334.854,1136 489.78,1137 314,1138 7.82}
{0 CHEMBL492480,1 1.294,2 16.571,3 5.874,4 34.499,5 145.951,6 6.496,7 0.462,8 4.339,9 4.472,10 3.805,11 3.915,12 5.267,13 3.856,14 4.927,15 5.127,16 4.128,17 4.329,18 5.772,19 4.238,20 5.238,21 5.482,22 4.197,23 4.513,24 6.014,25 4.381,26 5.307,27 5.558,28 4.123,29 4.521,30 6.093,31 4.362,32 5.341,33 5.621,34 4.077,35 4.495,36 6.086,37 4.325,38 5.282,39 5.563,40 3.965,41 4.424,42 6.019,43 4.242,44 5.208,45 5.499,46 3.802,47 4.313,48 5.916,49 4.111,50 5.09,51 5.393,52 3.668,53 4.173,54 5.725,55 3.967,56 0.074,57 1.012,58 16.821,59 7.064,60 9.534,61 10.041,62 0.278,63 1.743,64 31.25,65 11.604,66 21.118,67 17.063,68 0.344,69 2.222,70 42.901,71 16.365,72 30.856,73 23.748,74 0.337,75 2.288,76 46.004,77 17.988,78 41.92,79 25.774,80 0.358,81 2.328,82 47.793,83 18.285,84 44.93,85 26.576,86 0.324,87 2.188,88 44.972,89 17.351,90 42.763,91 25.217,92 0.383,93 1.998,94 41.881,95 16.255,96 42.324,97 23.567,98 0.241,99 1.768,100 36.991,101 14.402,102 26.516,103 21.107,104 2,105 52,106 0.201,107 0.453,108 0.642,109 0.806,110 0.855,111 0.865,112 3.588,113 1.019,114 -5.78,115 -5.64,116 -5.26,117 43.1,119 5,122 7,124 13,125 4,126 1,130 1,135 21,136 1,137 7,141 23,143 1,144 8,147 17,150 10,152 11,154 11,159 11,162 7,167 10,169 2,170 5,173 10,175 3,181 10,184 3,187 11,188 2346,189 24.466,190 24.466,191 24.466,192 24.466,193 24.466,194 22.169,195 24.734,196 14.938,197 24.769,198 19.307,199 19.307,200 19.307,201 19.307,202 19.307,203 15.914,204 32.027,205 7.129,206 19.78,207 4.876,208 3.257,209 2.042,210 0.988,211 0.677,212 0.611,213 4.302,217 1290,218 3.464,220 592.532,222 191.083,223 2.49,224 17.749,226 0.75,227 0.67,228 1,229 1,230 0.5,231 0.85,232 72.5,233 580,234 4.425,235 3.731,236 6.685,237 4.088,238 3.114,239 4.06,240 1.943,241 10.818,242 3.042,243 4.25,244 3.266,245 6.25,246 3.954,247 2.975,248 3.82,249 0.8,250 9.416,251 2.916,252 3.863,253 3.092,254 5.897,255 3.58,256 2.615,257 3.243,258 0.8,259 8.141,260 2.552,261 3.799,262 2.845,263 5.778,264 3.559,265 2.589,266 3.064,267 0.736,268 7.871,269 2.468,270 3.516,271 2.547,272 5.319,273 3.289,274 2.34,275 2.603,276 0.079,277 6.85,278 2.218,279 3.162,280 2.181,281 4.682,282 2.864,283 1.89,284 2.287,285 4.875,286 1.836,287 2.971,288 1.972,289 4.453,290 2.71,291 1.729,292 2.182,293 4.451,294 1.69,295 2.955,296 1.898,297 4.212,298 2.614,299 1.618,300 2.12,301 3.993,302 1.612,303 2.92,304 1.697,305 3.94,306 2.508,307 1.509,308 2.051,309 3.316,310 1.508,311 2.715,312 1.51,313 3.66,314 2.475,315 1.474,316 1.73,317 3.134,318 1.473,319 2.539,320 1.451,321 3.609,322 2.268,323 1.278,324 1.528,325 2.903,326 1.261,327 2.5,328 1.262,329 3.576,330 2.12,331 1.139,332 1.5,333 2.748,334 1.114,335 2.5,336 1.146,337 3.436,338 2,339 1,340 1.5,341 2.396,342 1,343 2.42,344 1.051,345 3.414,346 2,347 1,348 1.376,349 2.275,350 1,351 2,352 1,353 3.247,354 1.967,355 1,356 1,357 2.136,358 0.965,359 17.033,360 0.487,361 0.568,362 0.016,363 42,364 1.2,365 20,366 0.571,367 22,368 0.629,369 33.809,370 0.966,371 37.567,372 0.522,373 29.734,374 0.85,375 8.037,376 0.23,377 9.239,378 0.264,379 0.02,381 0.247,382 0.761,383 1.357,384 0.914,385 1.129,386 0.539,387 1.046,388 1.142,389 1.115,390 1.076,391 1.01,392 0.626,393 1.021,394 1.167,395 0.986,396 1.046,397 0.982,398 0.949,399 0.996,400 1.281,401 1.109,402 1.108,403 1.098,404 1.444,405 1.096,406 1.13,407 0.957,408 0.983,409 0.948,410 1.109,411 0.954,412 1.064,413 1.012,414 1.029,415 1.019,416 1.031,417 1.021,418 0.96,419 0.947,420 1.02,421 0.995,422 1.098,423 1.012,424 0.76,425 0.998,426 0.92,427 0.982,428 0.713,429 0.965,430 4.5,431 0.082,432 3.556,433 1.625,434 1.391,435 0.882,436 0.442,437 0.316,438 0.262,439 0.123,440 23719,441 46691,442 2.176,443 51.4,444 4,445 27,449 2,450 4,452 1.758,453 2.121,454 3.968,455 -0.879,459 93.15,460 1.294,461 2.913,462 4.128,463 5.182,464 5.493,465 5.559,466 3.373,467 4.844,468 5.105,469 4.18,470 2486.89,471 8.904,472 43165.8,475 444.235,476 0.997,477 5.096,478 0.115,479 0.003,480 0.068,481 0.03,482 0.029,483 0.019,484 0.011,485 0.01,486 0.009,487 0.004,488 0.299,489 0.33,490 0.63,491 0.293,492 196.259,493 0.065,494 -0.176,495 0.077,496 -0.044,497 0.042,498 0.005,499 -0.016,500 0.035,501 -0.062,502 -0.012,503 0.007,504 -0.034,505 -0.06,506 0.061,507 -0.045,508 0.002,509 -0.032,510 -0.015,511 -0.093,512 -0.117,513 -0.111,514 -0.106,515 -0.092,516 -0.111,517 -0.048,518 0.013,519 0.009,520 0.021,521 -0.011,522 0.02,523 -0.045,524 -0.046,525 -0.042,526 -0.047,527 -0.006,528 -0.044,529 0.062,530 -0.003,531 -0.035,532 -0.028,533 -0.022,534 -0.039,535 0.049,536 -0.067,537 0.052,538 -0.017,539 0.009,540 0.012,541 1.342,542 5.684,543 0.8,544 43.571,545 0.981,546 1.122,547 4.549,548 20.693,549 0.659,550 3.689,551 3.97,552 4.248,553 4.489,554 4.736,555 4.727,556 4.836,557 4.89,558 4.927,559 4.844,560 9.696,561 0.607,562 467.71,563 3.689,564 5.209,565 6.052,566 6.909,567 7.767,568 8.63,569 9.494,570 10.361,571 11.228,572 12.097,573 4.2,575 1,577 1,578 1,584 13,587 5,588 18,593 1,596 72,597 19,598 3,599 39,600 76,601 31,602 18,603 5,604 13,606 5,607 6,610 1,612 5,614 19,615 12,617 1,620 1,621 1,624 37,625 4,627 4,629 3,630 0.8,631 1,636 5,638 1,640 1,642 1,643 4,647 35,651 12,654 3,659 1.4,661 1,663 16.5,664 12.6,665 7.806,666 4.765,667 3.292,668 1.397,669 1.001,670 8.05,671 11.589,672 3.912,673 4.413,674 4.929,675 5.427,676 5.936,677 5.996,678 6.336,679 6.589,680 6.804,681 6.853,682 0.909,683 54,684 13.032,686 5.471,687 7.414,688 26.137,689 22.08,690 1.914,691 67,694 435.531,695 170.808,696 9.373,698 25.145,700 170.808,701 460.676,702 9.373,704 30.537,705 123.191,706 29.85,707 21.748,709 435.531,711 435.531,712 180.18,713 25.145,715 388.446,716 72.229,718 33.661,719 146.519,721 435.531,722 34.518,723 170.808,725 435.531,726 47.616,727 132.564,729 25.145,730 435.531,731 34.518,732 170.808,733 0.567,734 0.334,735 0.185,736 0.104,737 24,738 9,739 0.105,740 8,741 1,742 1.071,743 4.879,744 315.122,745 0.071,746 28,747 171.525,749 23.939,750 11.77,751 6.079,753 34.518,754 28.016,757 6.673,759 640.856,760 49,763 12.684,764 0.324,765 70.654,766 80.763,767 0.21,768 0.472,769 0.669,770 0.84,771 0.89,772 0.901,773 5.133,774 1.618,775 5.994,776 4.451,777 4.654,778 5.1,779 2.318,780 6.76,781 4.607,782 6.274,783 1.509,784 7.517,785 3.993,786 4.007,787 4.59,788 1.803,789 7.582,790 3.912,791 7.537,792 1.474,793 9.146,794 3.316,795 6.192,796 7.137,797 3.038,798 10.7,799 6.089,800 8.834,801 1.278,802 10.844,803 3.134,804 6.447,805 7.516,806 3.164,807 12.419,808 6.301,809 10.17,810 1.139,811 12.586,812 2.903,813 8.021,814 9.492,815 4.152,816 15.021,817 7.865,818 11.531,819 1,820 14.359,821 2.748,822 8.712,823 10.315,824 4.554,825 17.098,826 8.522,827 12.915,828 1,829 16.154,830 2.396,831 10.018,832 12.021,833 5.395,834 19.531,835 9.814,836 3.114,837 1,838 17.965,839 2.275,840 10.924,841 13.084,842 5.925,843 21.762,844 10.694,845 2.975,846 10.818,847 19.788,848 2.136,849 12.112,850 14.647,851 6.684,852 24.14,853 11.865,854 2.615,855 9.416,856 21.62,857 4.06,858 13.124,859 15.845,860 7.279,861 26.441,862 12.853,863 2.589,864 8.141,865 23.459,866 3.82,867 14.263,868 17.329,869 7.993,870 28.805,871 13.974,872 2.34,873 7.871,874 25.305,875 3.243,876 15.326,877 18.606,878 8.621,879 31.139,880 15.015,881 1.89,882 6.85,883 27.156,884 3.064,885 16.446,886 20.046,887 9.312,888 33.502,889 16.116,890 1.729,891 4.875,892 29.011,893 2.603,894 17.535,895 21.369,896 9.957,897 35.854,898 17.184,899 21663,900 30505,901 27.216,902 47.415,903 57.732,904 58.275,905 58.051,906 57.298,907 57.234,908 71.161,909 8.716,910 156.735,911 55.983,912 5.425,913 5.731,914 6.487,915 5.156,916 5.114,917 7.06,918 3.352,919 17.962,920 5.042,921 8.06,922 1.48,923 1.494,924 1.488,925 1.469,926 1.468,927 1.825,928 0.223,929 4.019,930 1.435,931 4.045,932 4.083,933 3.982,934 3.976,935 7.427,936 3.973,937 3.987,938 4.021,939 3.923,940 3.918,941 4.844,942 3.914,943 3.836,944 3.895,945 3.731,946 3.707,947 4.738,948 3.705,949 3.746,950 3.792,951 3.641,952 3.643,953 4.62,954 3.635,955 3.672,956 3.722,957 3.571,958 3.518,959 4.337,960 3.521,961 3.512,962 3.576,963 3.371,964 3.344,965 4.115,966 3.344,967 3.315,968 3.388,969 3.149,970 3.156,971 4.032,972 3.143,973 3.119,974 3.206,975 2.955,976 2.961,977 3.777,978 2.946,979 0.113,980 0.096,981 0.171,982 0.105,983 0.08,984 4.425,985 0.104,986 3.731,987 0.05,988 6.685,989 0.277,990 4.088,991 0.078,992 3.114,993 4.06,994 1.943,995 10.818,996 3.042,997 1.999,998 1.974,999 2.104,1000 2.093,1001 1.388,1002 2.098,1003 1.978,1004 1.947,1005 2.099,1006 2.082,1007 1.343,1008 2.09,1009 1.816,1010 1.762,1011 2.02,1012 1.983,1013 1.277,1014 1.999,1015 1.75,1016 1.704,1017 1.936,1018 1.884,1019 1.16,1020 1.906,1021 1.657,1022 1.599,1023 1.857,1024 1.81,1025 0.966,1026 1.828,1027 1.493,1028 1.43,1029 1.718,1030 1.69,1031 0.916,1032 1.703,1033 1.324,1034 1.255,1035 1.618,1036 1.527,1037 0.861,1038 1.561,1039 1.153,1040 1.064,1041 1.513,1042 1.376,1043 0.825,1044 1.429,1045 4.369,1046 5.659,1048 7.159,1050 8.75,1052 10.389,1057 12.128,1060 7.175,1063 43.735,1064 93.15,1065 209.719,1066 297.193,1067 373.073,1068 395.48,1069 400.235,1070 52.632,1071 8.296,1072 26.79,1073 26.79,1074 30,1075 12.641,1076 4.322,1077 3.459,1078 52.848,1079 210,1080 176,1081 0.119,1082 266.271,1083 465.75,1084 641.462,1085 64015,1087 23.874,1088 0.682,1089 0.593,1090 23.874,1091 20.741,1092 17.276,1093 0.443,1094 0.34,1095 13.138,1096 16.906,1097 12.855,1098 10.611,1099 17.276,1100 13.241,1101 14.784,1102 0.284,1103 0.19,1104 14.784,1105 9.857,1106 12.784,1107 0.185,1108 0.109,1109 12.784,1110 7.55,1111 10.564,1112 0.12,1113 0.062,1114 10.564,1115 5.479,1116 8.901,1117 0.079,1118 0.036,1119 8.901,1120 4.03,1121 0.198,1122 105.995,1123 0.192,1124 33.422,1125 0.297,1126 182,1127 394.671,1128 191.125,1129 392.069,1130 549.57,1131 372,1132 212,1133 407.383,1134 222.375,1135 417.2,1136 609.71,1137 396,1138 6.31}
{0 CHEMBL494709,1 1.356,2 16.515,3 4.442,4 19.735,5 135.588,6 6.607,7 0.5,8 4.264,9 4.401,10 3.735,11 3.818,12 5.244,13 3.766,14 4.826,15 5.028,16 4.02,17 4.204,18 5.728,19 4.116,20 5.12,21 5.37,22 4.05,23 4.363,24 5.923,25 4.231,26 5.167,27 5.426,28 3.988,29 4.367,30 5.947,31 4.211,32 5.207,33 5.486,34 4.002,35 4.371,36 5.985,37 4.213,38 5.177,39 5.446,40 3.915,41 4.332,42 5.973,43 4.163,44 5.131,45 5.42,46 3.75,47 4.228,48 5.89,49 4.032,50 5.007,51 5.314,52 3.597,53 4.078,54 5.658,55 3.878,56 0.066,57 0.967,58 15.391,59 6.277,60 9.606,61 8.993,62 0.261,63 1.586,64 28.078,65 10.094,66 23.786,67 14.994,68 0.339,69 1.956,70 38.274,71 14.031,72 33.589,73 20.592,74 0.296,75 1.984,76 40.036,77 15.211,78 36.815,79 22.177,80 0.351,81 2.039,82 41.985,83 15.547,84 42.275,85 22.881,86 0.317,87 1.959,88 40.67,89 15.221,90 44.148,91 22.216,92 0.431,93 1.822,94 39.136,95 14.643,96 48.741,97 21.484,98 0.24,99 1.602,100 34.375,101 12.789,102 25.332,103 19.095,104 2,105 46,106 0.214,107 0.504,108 0.683,109 0.811,110 0.84,111 0.846,112 3.531,113 1.006,114 -4.41,115 -4.34,116 -4.1,117 41.8,119 4,122 6,124 11,125 3,126 1,127 2,130 1,135 16,137 6,139 1,140 2,141 16,143 1,144 6,146 3,147 12,150 6,151 1,152 9,154 9,155 1,157 1,159 10,162 5,167 7,169 2,170 5,171 1,173 6,175 4,181 7,184 3,187 8,188 2143,189 23.018,190 23.018,191 23.018,192 23.018,193 23.018,194 20.697,195 21.965,196 14.376,197 23.345,198 17.841,199 17.841,200 17.841,201 17.841,202 17.841,203 14.473,204 29.782,205 6.909,206 18.328,207 4.71,208 2.88,209 1.748,210 0.942,211 0.758,212 0.716,213 4.234,217 1185,218 3.606,220 495.264,223 2.59,224 18.021,226 1,227 0.83,228 0.83,229 1,230 0.5,231 0.88,232 69,233 545,234 4.425,235 3.579,236 6.685,237 4.088,238 3.114,239 4.06,240 1.909,241 10.818,242 3.042,243 3.91,244 3.266,245 5.778,246 3.561,247 2.615,248 3.448,249 0.8,250 7.871,251 2.528,252 3.799,253 2.845,254 5.363,255 3.548,256 2.559,257 3.243,258 0.8,259 7.026,260 2.469,261 3.63,262 2.722,263 5.319,264 3.321,265 2.344,266 2.816,267 0.561,268 6.85,269 2.323,270 3.515,271 2.547,272 4.995,273 3.282,274 2.298,275 2.603,277 5.986,278 2.215,279 3.162,280 1.972,281 4.681,282 2.858,283 1.885,284 2.287,285 4.875,286 1.828,287 2.97,288 1.701,289 3.941,290 2.592,291 1.609,292 2.182,293 3.38,294 1.58,295 2.917,296 1.645,297 3.715,298 2.504,299 1.507,300 2.082,301 3.258,302 1.503,303 2.655,304 1.51,305 3.617,306 2.419,307 1.474,308 1.661,309 3.1,310 1.387,311 2.5,312 1.262,313 3.592,314 2.146,315 1.167,316 1.5,317 2.798,318 1.14,319 2.5,320 1.146,321 3.436,322 2,323 1,324 1.5,325 2.396,326 1,327 2.5,328 1.093,329 3.414,330 2,331 1,332 1.5,333 2.275,334 1,335 2.463,336 1.01,337 3.247,338 1.984,339 1,340 1.453,341 2.136,342 0.983,343 2,344 1,345 3.247,346 1.967,347 1,348 1,349 2.136,350 0.965,351 1.903,352 1,353 3.181,354 1.819,355 0.848,356 0.883,357 1.878,358 0.821,359 15.933,360 0.483,361 0.465,362 0.014,363 40.75,364 1.235,365 20,366 0.606,367 20.75,368 0.629,369 29.337,370 0.889,371 35.667,372 0.532,373 28.671,374 0.869,375 7.997,376 0.242,377 8.296,378 0.251,379 0.021,381 0.207,382 0.796,383 1.39,384 0.908,385 1.145,386 0.56,387 1.051,388 1.089,389 1.152,390 1.089,391 1.05,392 0.632,393 1.055,394 1.142,395 0.969,396 1.052,397 0.977,398 0.992,399 0.999,400 1.025,401 1.074,402 1.045,403 1.072,404 1.059,405 1.066,406 0.948,407 0.903,408 0.946,409 0.93,410 0.854,411 0.934,412 1.102,413 1.037,414 1.062,415 1.065,416 1.181,417 1.064,418 0.843,419 0.943,420 1.015,421 1.013,422 1.029,423 1.033,424 0.68,425 0.951,426 0.896,427 0.962,428 0.562,429 0.947,430 4,431 0.095,432 2.667,433 1.25,434 0.987,435 0.736,436 0.381,437 0.304,438 0.205,439 0.077,440 19800,441 43560,442 2.134,443 50.7,444 4,445 23,447 2,448 1,449 2,450 2,452 1.743,453 2.084,454 3.953,455 -0.442,459 90.848,460 1.356,461 3.186,462 4.318,463 5.124,464 5.309,465 5.35,466 3.389,467 4.597,468 5.015,469 4.178,470 2205.83,471 8.73,472 37154,475 406.428,476 0.931,477 5.013,478 0.111,479 0.004,480 0.058,481 0.027,482 0.023,483 0.017,484 0.01,485 0.01,486 0.008,487 0.003,488 0.271,489 0.33,490 1,491 0.306,492 182.575,493 0.026,494 -0.18,495 0.062,496 -0.051,497 0.04,498 -0.003,499 -0.036,500 -0.002,501 -0.093,502 -0.045,503 0.032,504 -0.067,505 -0.087,506 0.06,507 -0.06,508 0.01,509 -0.058,510 -0.017,511 -0.063,512 -0.096,513 -0.066,514 -0.074,515 -0.052,516 -0.072,517 -0.003,518 0.064,519 0.038,520 0.047,521 0.036,522 0.048,523 -0.072,524 -0.077,525 -0.078,526 -0.078,527 -0.048,528 -0.079,529 0.128,530 -0.016,531 -0.034,532 -0.039,533 0.019,534 -0.052,535 0.048,536 -0.037,537 0.071,538 0.005,539 0.029,540 0.036,541 1.53,542 5.039,543 0.727,544 44.483,545 0.985,546 1.126,547 3.183,548 10.13,549 0.655,550 3.611,551 3.85,552 4.078,553 4.29,554 4.511,555 4.454,556 4.564,557 4.635,558 4.663,559 4.635,560 9.61,561 0.607,562 442.66,563 3.611,564 5.106,565 5.922,566 6.756,567 7.589,568 8.433,569 9.276,570 10.125,571 10.974,572 11.828,573 6,575 1,577 1,578 1,581 1,584 13,585 1,587 4,588 18,593 1,596 67,597 19,598 2,599 36,600 70,601 28,602 17,603 3,604 9,606 4,607 4,612 4,614 18,615 10,617 1,620 1,621 1,624 34,625 5,626 1,627 5,629 4,630 1,631 1,632 1,636 4,639 1,642 1,643 4,647 33,651 10,652 1,654 2,659 1.5,661 1,663 15.833,664 11.6,665 7.5,666 4.287,667 3.053,668 1.394,669 0.982,670 8.769,671 10.799,672 3.85,673 4.324,674 4.806,675 5.299,676 5.803,677 5.79,678 6.141,679 6.401,680 6.617,681 6.721,682 0.909,683 46,684 12.231,686 5.015,687 7.495,688 24.232,689 19.801,690 1.995,691 65.833,694 388.446,695 162.124,696 41.045,698 25.145,700 162.124,701 413.591,702 41.045,704 40.783,705 104.239,706 70.177,707 36.657,709 364.904,711 388.446,712 203.169,713 25.145,715 364.904,716 48.687,718 62.002,719 124.381,720 16.786,721 388.446,722 66.19,723 162.124,725 388.446,726 39.79,727 128.582,728 18.011,729 41.93,730 388.446,731 66.19,732 162.124,733 0.556,734 0.316,735 0.172,736 0.097,737 19,738 7,739 0.143,740 10,742 1,743 4.75,744 277,746 24,747 154.465,749 23.319,750 12.41,751 7.068,753 66.19,754 26.768,755 3.998,757 5.013,758 18.011,759 616.76,760 46,763 12.039,764 0.137,765 65.989,766 75.431,767 0.224,768 0.525,769 0.712,770 0.845,771 0.875,772 0.882,773 5.04,774 1.507,775 5.838,776 3.38,777 4.533,778 5.011,779 2.253,780 6.55,781 4.481,782 6.167,783 1.474,784 7.323,785 3.258,786 3.761,787 4.369,788 1.738,789 7.273,790 3.68,791 7.409,792 1.167,793 8.915,794 3.1,795 6.014,796 7.018,797 2.97,798 10.391,799 5.907,800 8.686,801 1,802 10.578,803 2.798,804 6.155,805 7.264,806 3.061,807 12.083,808 6.019,809 9.999,810 1,811 12.291,812 2.396,813 7.777,814 9.333,815 4.055,816 14.69,817 7.618,818 11.34,819 1,820 14.041,821 2.275,822 8.382,823 10.045,824 4.419,825 16.784,826 8.196,827 12.703,828 1,829 15.818,830 2.136,831 9.715,832 11.822,833 5.26,834 19.234,835 9.507,836 3.114,837 0.848,838 17.617,839 2.136,840 10.568,841 12.806,842 5.758,843 21.495,844 10.335,845 2.615,846 10.818,847 19.433,848 1.878,849 11.769,850 14.418,851 6.511,852 23.897,853 11.514,854 2.559,855 7.871,856 21.264,857 4.06,858 12.754,859 15.568,860 7.078,861 26.227,862 12.476,863 2.344,864 7.026,865 23.105,866 3.448,867 13.901,868 17.085,869 7.782,870 28.614,871 13.6,872 2.298,873 6.85,874 24.956,875 3.243,876 14.954,877 18.335,878 8.386,879 30.973,880 14.631,881 1.885,882 5.986,883 26.815,884 2.816,885 16.081,886 19.798,887 9.064,888 33.356,889 15.737,890 1.609,891 4.875,892 28.68,893 2.603,894 17.171,895 21.109,896 9.687,897 35.727,898 16.804,899 18556,900 27637,901 25.019,902 43.898,903 52.262,904 52.841,905 52.396,906 51.842,907 51.819,908 65.556,909 8.14,910 135.737,911 50.518,912 5.425,913 5.579,914 6.487,915 5.156,916 5.114,917 7.06,918 3.31,919 17.962,920 5.042,921 7.904,922 1.452,923 1.468,924 1.455,925 1.44,926 1.439,927 1.821,928 0.226,929 3.77,930 1.403,931 4.034,932 4.07,933 3.975,934 3.969,935 7.429,936 3.966,937 3.898,938 3.942,939 3.828,940 3.788,941 4.903,942 3.792,943 3.833,944 3.892,945 3.73,946 3.706,947 4.838,948 3.704,949 3.745,950 3.792,951 3.639,952 3.64,953 4.621,954 3.632,955 3.668,956 3.721,957 3.56,958 3.51,959 4.337,960 3.512,961 3.464,962 3.531,963 3.327,964 3.258,965 4.145,966 3.266,967 3.197,968 3.291,969 3.029,970 2.973,971 4.032,972 2.976,973 3.111,974 3.206,975 2.866,976 2.941,977 3.777,978 2.91,979 0.123,980 0.099,981 0.186,982 0.114,983 0.086,984 4.425,985 0.113,986 3.579,987 0.053,988 6.685,989 0.3,990 4.088,991 0.084,992 3.114,993 4.06,994 1.909,995 10.818,996 3.042,997 1.999,998 1.974,999 2.101,1000 2.093,1001 1.383,1002 2.097,1003 1.86,1004 1.82,1005 2.026,1006 2.003,1007 1.283,1008 2.01,1009 1.815,1010 1.761,1011 1.98,1012 1.978,1013 1.161,1014 1.986,1015 1.749,1016 1.702,1017 1.933,1018 1.885,1019 1.092,1020 1.905,1021 1.654,1022 1.593,1023 1.856,1024 1.811,1025 0.96,1026 1.828,1027 1.42,1028 1.356,1029 1.668,1030 1.659,1031 0.911,1032 1.663,1033 1.172,1034 1.082,1035 1.513,1036 1.437,1037 0.825,1038 1.458,1039 1.153,1040 1.064,1041 1.465,1042 1.376,1043 0.579,1044 1.429,1045 4.29,1046 5.549,1048 7.008,1050 8.555,1052 10.151,1057 9.805,1058 2.993,1060 5.08,1063 40.702,1064 90.848,1065 213.465,1066 289.281,1067 343.309,1068 355.673,1069 358.428,1070 51.705,1071 7.746,1072 48.47,1073 48.47,1074 24,1075 12.385,1076 4.322,1077 3.459,1078 55.026,1079 193,1080 186,1081 0.134,1082 251.682,1083 437.21,1084 605.864,1085 31516,1087 22.719,1088 0.688,1089 0.586,1090 22.719,1091 19.327,1092 16.293,1093 0.453,1094 0.335,1095 11.956,1096 15.871,1097 11.709,1098 9.714,1099 16.293,1100 12.068,1101 13.616,1102 0.296,1103 0.188,1104 13.616,1105 8.655,1106 11.229,1107 0.194,1108 0.109,1109 11.229,1110 6.319,1111 9.069,1112 0.126,1113 0.061,1114 9.069,1115 4.411,1116 7.526,1117 0.084,1118 0.035,1119 7.526,1120 3.149,1121 0.224,1122 100.476,1123 0.2,1124 32.069,1125 0.333,1126 164,1127 389.004,1128 173.819,1129 384.963,1130 530.76,1131 364,1132 186,1133 385.369,1134 196.21,1135 394.245,1136 568.19,1137 373,1138 6.509}
{0 CHEMBL522691,1 1.352,2 17.971,3 5.472,4 29.942,5 143.483,6 6.763,7 0.474,8 4.29,9 4.422,10 3.777,11 3.869,12 5.315,13 3.816,14 4.846,15 5.041,16 4.069,17 4.257,18 5.766,19 4.169,20 5.154,21 5.398,22 4.122,23 4.421,24 6.01,25 4.293,26 5.207,27 5.464,28 4.051,29 4.415,30 6.053,31 4.264,32 5.228,33 5.504,34 4.041,35 4.403,36 6.033,37 4.249,38 5.198,39 5.465,40 3.96,41 4.364,42 6.015,43 4.199,44 5.161,45 5.448,46 3.802,47 4.268,48 5.95,49 4.078,50 5.034,51 5.333,52 3.686,53 4.128,54 5.765,55 3.939,56 0.063,57 0.973,58 15.246,59 6.485,60 11.876,61 9.101,62 0.244,63 1.614,64 27.979,65 10.642,66 22.272,67 15.399,68 0.329,69 2.05,70 39.25,71 14.828,72 40.689,73 21.418,74 0.315,75 2.103,76 41.678,77 15.821,78 50.405,79 22.894,80 0.327,81 2.117,82 42.908,83 16.086,84 48.467,85 23.473,86 0.315,87 2.038,88 41.562,89 15.824,90 49.271,91 22.835,92 0.422,93 1.929,94 40.542,95 15.286,96 55.592,97 22.185,98 0.239,99 1.683,100 35.566,101 13.542,102 36.59,103 19.886,104 6,105 49,106 0.212,107 0.5,108 0.672,109 0.812,110 0.841,111 0.847,112 3.587,113 0.995,114 -5,115 -4.9,116 -4.59,117 43.5,119 4,122 6,124 13,125 4,126 1,130 2,135 20,137 5,139 1,140 2,141 21,143 1,144 7,146 3,147 15,150 8,151 3,152 9,154 10,157 2,159 10,162 7,167 9,169 1,170 5,171 2,173 9,175 3,181 10,183 1,184 3,187 11,188 2528,189 24.336,190 24.336,191 24.336,192 24.336,193 24.336,194 21.951,195 25.29,196 14.96,197 24.599,198 18.735,199 18.735,200 18.735,201 18.735,202 18.735,203 15.117,204 32.126,205 7.083,206 19.143,207 4.756,208 2.913,209 1.814,210 0.915,211 0.736,212 0.696,213 4.289,217 1361,218 3.808,220 534.276,223 2.776,224 21.719,226 1,227 0.67,228 0.83,229 0.8,230 0.5,231 0.83,232 73,233 629,234 4.425,235 4.057,236 6.685,237 4.088,238 3.114,239 4.06,240 2.035,241 10.818,242 3.042,243 4.103,244 3.579,245 5.778,246 3.656,247 2.661,248 3.69,249 1.909,250 7.871,251 2.648,252 3.799,253 3.266,254 5.488,255 3.56,256 2.615,257 3.243,258 0.8,259 7.357,260 2.469,261 3.721,262 2.845,263 5.319,264 3.388,265 2.384,266 2.931,267 0.8,268 6.85,269 2.385,270 3.577,271 2.765,272 5.15,273 3.287,274 2.336,275 2.763,276 0.561,277 6.391,278 2.217,279 3.515,280 2.547,281 4.965,282 3.131,283 2.129,284 2.603,285 5.895,286 2.128,287 3.162,288 2.301,289 4.681,290 2.858,291 1.885,292 2.287,293 4.875,294 1.828,295 2.97,296 1.972,297 3.941,298 2.581,299 1.589,300 2.182,301 3.367,302 1.572,303 2.962,304 1.7,305 3.698,306 2.504,307 1.505,308 1.664,309 3.237,310 1.503,311 2.656,312 1.51,313 3.604,314 2.149,315 1.169,316 1.5,317 2.803,318 1.143,319 2.5,320 1.263,321 3.436,322 2,323 1,324 1.5,325 2.396,326 1,327 2.5,328 1.215,329 3.414,330 2,331 1,332 1.5,333 2.275,334 1,335 2.5,336 1.146,337 3.414,338 2,339 1,340 1.455,341 2.275,342 1,343 2.463,344 1.043,345 3.257,346 1.967,347 1,348 1.161,349 2.136,350 0.965,351 2,352 1,353 3.247,354 1.864,355 0.898,356 1,357 1.982,358 0.865,359 16.933,360 0.484,361 0.533,362 0.015,363 44.5,364 1.271,365 23,366 0.657,367 21.5,368 0.614,369 31.013,370 0.886,371 37.067,372 0.537,373 32.211,374 0.92,375 8.63,376 0.247,377 8.594,378 0.246,379 0.043,381 0.224,382 0.757,383 1.291,384 0.886,385 1.094,386 0.479,387 1.013,388 0.995,389 1.111,390 1.056,391 1.039,392 0.494,393 1.041,394 1.099,395 0.986,396 1.033,397 0.984,398 0.783,399 0.998,400 1.09,401 1.066,402 1.058,403 1.054,404 0.983,405 1.055,406 0.988,407 0.932,408 0.95,409 0.933,410 0.784,411 0.935,412 1.103,413 1.052,414 1.06,415 1.07,416 0.899,417 1.066,418 0.936,419 0.911,420 1.031,421 0.996,422 0.95,423 1.022,424 0.727,425 0.952,426 0.886,427 0.965,428 0.583,429 0.941,430 5,431 0.111,432 3.111,433 1.313,434 1.218,435 0.854,436 0.42,437 0.366,438 0.254,439 0.097,440 23446,441 54414,442 2.109,443 49.3,444 4,445 25,448 1,449 2,450 2,452 1.757,453 2.039,454 4.064,455 -0.458,459 93.308,460 1.352,461 3.195,462 4.294,463 5.194,464 5.373,465 5.413,466 3.497,467 4.786,468 5.101,469 4.286,470 2549.93,471 8.896,472 45495.2,475 421.488,476 1.069,477 5.09,478 0.132,479 0.004,480 0.063,481 0.026,482 0.027,483 0.019,484 0.011,485 0.011,486 0.008,487 0.003,488 0.305,489 0.33,490 0.88,491 0.529,492 198.032,493 0.017,494 -0.127,495 0.053,496 -0.029,497 0.06,498 0.007,499 -0.017,500 0.008,501 -0.084,502 -0.038,503 0.031,504 -0.06,505 -0.067,506 0.034,507 -0.047,508 0.001,509 -0.007,510 -0.018,511 -0.078,512 -0.085,513 -0.072,514 -0.068,515 -0.04,516 -0.071,517 -0.033,518 0.033,519 0.039,520 0.044,521 0.012,522 0.049,523 -0.063,524 -0.096,525 -0.071,526 -0.085,527 -0.028,528 -0.081,529 0.077,530 0.025,531 -0.037,532 -0.024,533 -0.024,534 -0.041,535 0.066,536 -0.036,537 0.096,538 0.012,539 0.073,540 0.051,541 1.569,542 5.126,543 0.686,544 49.061,545 0.985,546 1.122,547 3.767,548 14.187,549 0.665,550 3.664,551 3.912,552 4.143,553 4.344,554 4.575,555 4.543,556 4.625,557 4.691,558 4.718,559 4.673,560 10.272,561 0.619,562 466.68,563 3.664,564 5.165,565 5.984,566 6.821,567 7.658,568 8.503,569 9.348,570 10.198,571 11.049,572 11.903,573 5.8,575 1,577 1,578 1,580 1,584 13,587 5,588 18,589 1,593 1,596 69,597 20,598 3,599 38,600 72,601 30,602 18,603 5,604 13,606 4,607 4,612 4,613 1,614 19,615 10,617 1,620 1,621 1,624 34,625 5,626 1,627 5,629 4,630 1,631 1,636 4,639 1,642 1,643 4,647 35,651 10,652 1,654 2,655 1,656 1,657 1,659 1.4,661 1,663 17.167,664 12.1,665 8,666 4.433,667 3.288,668 1.416,669 0.98,670 9.205,671 11.182,672 3.932,673 4.401,674 4.911,675 5.395,676 5.91,677 5.99,678 6.286,679 6.466,680 6.703,681 6.753,682 0.917,683 50,684 12.951,686 5.329,687 7.586,688 25.47,689 20.828,690 2.086,691 73,694 388.446,695 182.769,696 55.319,698 25.145,700 182.769,701 413.591,702 55.319,704 40.783,705 123.191,706 46.451,707 52.807,709 388.446,711 388.446,712 238.088,713 25.145,715 364.904,716 48.687,718 74.967,719 163.121,721 388.446,722 80.464,723 182.769,725 388.446,726 42.976,727 129.44,728 34.612,729 56.204,730 388.446,731 80.464,732 182.769,733 0.559,734 0.322,735 0.171,736 0.097,737 20,738 8,739 0.139,740 10,742 1,743 4.902,744 298.599,746 24,747 167.525,749 24.827,750 12.977,751 7.346,753 80.464,754 26.683,757 5.553,758 18.011,759 651.679,760 50,763 12.126,764 0.097,765 67.989,766 77.431,767 0.221,768 0.523,769 0.703,770 0.85,771 0.88,772 0.886,773 5.139,774 1.589,775 5.911,776 4.875,777 4.595,778 5.088,779 2.879,780 6.632,781 4.553,782 6.287,783 1.505,784 7.407,785 3.367,786 3.892,787 4.527,788 1.738,789 7.38,790 3.821,791 7.544,792 1.169,793 9.005,794 3.237,795 6.094,796 7.125,797 3.985,798 10.467,799 6.004,800 8.833,801 1,802 10.67,803 2.803,804 6.275,805 7.447,806 3.061,807 12.145,808 6.153,809 10.156,810 1,811 12.381,812 2.396,813 7.861,814 9.459,815 5.296,816 14.738,817 7.724,818 11.503,819 1,820 14.125,821 2.275,822 8.483,823 10.226,824 4.419,825 16.816,826 8.314,827 12.87,828 1,829 15.896,830 2.275,831 9.795,832 11.959,833 6.659,834 19.259,835 9.61,836 3.114,837 0.898,838 17.687,839 2.136,840 10.652,841 12.978,842 5.758,843 21.511,844 10.438,845 2.661,846 10.818,847 19.495,848 1.982,849 11.84,850 14.559,851 8.041,852 23.909,853 11.609,854 2.615,855 7.871,856 21.317,857 4.06,858 12.823,859 15.729,860 7.078,861 26.235,862 12.565,863 2.384,864 7.357,865 23.151,866 3.69,867 13.961,868 17.224,869 9.431,870 28.62,871 13.684,872 2.336,873 6.85,874 24.995,875 3.243,876 15.01,877 18.483,878 8.386,879 30.977,880 14.708,881 2.129,882 6.391,883 26.848,884 2.931,885 16.131,886 19.931,887 10.826,888 33.358,889 15.808,890 1.885,891 5.895,892 28.708,893 2.763,894 17.215,895 21.243,896 9.687,897 35.729,898 16.868,899 22114,900 33827,901 26.118,902 45.898,903 56.339,904 58.226,905 55.758,906 54.674,907 54.671,908 69.837,909 12.21,910 145.016,911 53.556,912 5.425,913 6.057,914 6.487,915 5.156,916 5.114,917 7.06,918 4.069,919 17.962,920 5.042,921 12.109,922 1.483,923 1.532,924 1.467,925 1.439,926 1.439,927 1.838,928 0.321,929 3.816,930 1.409,931 4.036,932 4.072,933 3.977,934 3.971,935 7.429,936 3.968,937 3.939,938 3.97,939 3.881,940 3.878,941 6.82,942 3.875,943 3.836,944 3.895,945 3.731,946 3.708,947 4.843,948 3.705,949 3.749,950 3.796,951 3.644,952 3.644,953 4.695,954 3.636,955 3.673,956 3.724,957 3.569,958 3.514,959 4.62,960 3.517,961 3.483,962 3.549,963 3.353,964 3.292,965 4.337,966 3.3,967 3.282,968 3.35,969 3.192,970 3.131,971 4.105,972 3.134,973 3.111,974 3.206,975 2.969,976 2.941,977 3.988,978 2.91,979 0.116,980 0.107,981 0.176,982 0.108,983 0.082,984 4.425,985 0.107,986 4.057,987 0.054,988 6.685,989 0.285,990 4.088,991 0.08,992 3.114,993 4.06,994 2.035,995 10.818,996 3.042,997 1.999,998 1.974,999 2.101,1000 2.093,1001 1.383,1002 2.097,1003 1.927,1004 1.901,1005 2.04,1006 2.017,1007 1.283,1008 2.026,1009 1.816,1010 1.762,1011 2.017,1012 1.983,1013 1.166,1014 1.997,1015 1.751,1016 1.705,1017 1.936,1018 1.89,1019 1.152,1020 1.909,1021 1.657,1022 1.597,1023 1.857,1024 1.813,1025 0.964,1026 1.829,1027 1.442,1028 1.38,1029 1.677,1030 1.671,1031 0.913,1032 1.675,1033 1.264,1034 1.202,1035 1.513,1036 1.47,1037 0.825,1038 1.491,1039 1.153,1040 1.064,1041 1.513,1042 1.376,1043 0.679,1044 1.429,1045 4.344,1046 5.609,1048 7.074,1050 8.626,1052 10.226,1057 9.545,1058 2.976,1060 5.059,1061 8.854,1062 2.107,1063 42.702,1064 93.308,1065 220.474,1066 296.289,1067 358.369,1068 370.733,1069 373.488,1070 61.065,1071 7.894,1072 59.37,1073 59.37,1074 24,1075 12.459,1076 4.392,1077 3.7,1078 60.285,1079 220,1080 226,1081 0.129,1082 265.012,1083 466.53,1084 638.389,1085 38690,1087 24.296,1088 0.694,1089 0.581,1090 24.296,1091 20.327,1092 17.225,1093 0.453,1094 0.332,1095 12.501,1096 16.837,1097 12.229,1098 10.149,1099 17.225,1100 12.603,1101 14.407,1102 0.294,1103 0.186,1104 14.407,1105 9.108,1106 12.048,1107 0.194,1108 0.107,1109 12.048,1110 6.653,1111 9.522,1112 0.125,1113 0.061,1114 9.522,1115 4.608,1116 7.908,1117 0.082,1118 0.035,1119 7.908,1120 3.325,1121 0.216,1122 105.92,1123 0.196,1124 33.73,1125 0.317,1126 174,1127 421.004,1128 183.125,1129 421.768,1130 576.07,1131 396,1132 198,1133 414.665,1134 207.543,1135 426.806,1136 612.85,1137 403,1138 6.222}