@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3255

@attribute molecule_id {CHEMBL131622,CHEMBL131636,CHEMBL131741,CHEMBL131789,CHEMBL131976,CHEMBL132257,CHEMBL133044,CHEMBL133159,CHEMBL133940,CHEMBL134490,CHEMBL134522,CHEMBL134576,CHEMBL134603,CHEMBL134773,CHEMBL134776,CHEMBL134863,CHEMBL134876,CHEMBL134990,CHEMBL135133,CHEMBL334485,CHEMBL335080,CHEMBL335655,CHEMBL335697,CHEMBL335703,CHEMBL336099,CHEMBL336546,CHEMBL337482,CHEMBL337516,CHEMBL337695,CHEMBL423153,CHEMBL424086}
@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.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.013 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.032 numeric
@attribute C.034 numeric
@attribute C.035 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_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA 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_AP 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_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AP 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 Cl.090 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 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_06 numeric
@attribute DLS_07 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.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.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.dm. 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 F.083 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 HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.50 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.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 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.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.075 numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute nAB numeric
@attribute nArCONH2 numeric
@attribute nArCONHR numeric
@attribute nArCONR2 numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNR2 numeric
@attribute nArOH numeric
@attribute nArOR 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 nCRX3 numeric
@attribute nCs numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nDB numeric
@attribute NdO numeric
@attribute NdssC numeric
@attribute NdsssP numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nIsoxazoles numeric
@attribute nN numeric
@attribute nO numeric
@attribute nP numeric
@attribute nP..O.O2R numeric
@attribute nPyrimidines numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute NRS numeric
@attribute nS numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nThiophenes numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute P.120 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_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 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_e_6 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_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 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 RDCHI numeric
@attribute RDSQ numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.107 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdO numeric
@attribute SdssC numeric
@attribute SdsssP 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.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 SsF numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC 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 1.996,2 8.793,3 6.181,4 38.199,5 106.196,6 11.517,7 0.581,8 3.828,9 3.904,10 3.738,11 3.456,12 5.142,13 3.47,14 4.345,15 4.454,16 4.238,17 3.815,18 6.154,19 3.829,20 4.53,21 4.662,22 4.243,23 3.952,24 5.953,25 3.929,26 4.627,27 4.778,28 4.404,29 3.917,30 6.128,31 3.93,32 4.675,33 4.816,34 4.478,35 3.948,36 6.531,37 3.976,38 4.615,39 4.733,40 4.376,41 4.038,42 6.133,43 4.026,44 4.71,45 4.865,46 4.401,47 4.069,48 6.187,49 4.049,50 4.69,51 4.843,52 4.452,53 3.955,54 6.261,55 3.932,56 0.294,57 0.755,58 0.821,59 3.006,60 43.054,61 2.722,62 0.981,63 1.531,64 4.622,65 5.258,66 148.289,67 4.427,68 0.823,69 1.321,70 12.575,71 7.06,72 95.14,73 6.994,74 1.057,75 1.446,76 18.499,77 8.051,78 137.487,79 7.787,80 1.626,81 1.509,82 20.503,83 8.51,84 238.335,85 7.532,86 1.004,87 1.361,88 15.834,89 7.88,90 131.398,91 7.16,92 1.195,93 1.68,94 13.346,95 9.184,96 160.801,97 8.363,98 1.355,99 1.585,100 26.567,101 9.536,102 168.23,103 8.127,104 51,105 45,106 0.35,107 0.635,108 0.743,109 0.822,110 0.834,111 0.834,112 3.409,113 0.89,114 -5.9,115 -5.76,116 -5.36,117 47.5,121 1,124 1,125 8,126 2,127 3,128 1,131 1,134 1,139 6,140 2,141 9,145 13,148 2,151 3,153 4,154 8,157 9,160 3,165 6,168 13,174 12,176 5,180 9,183 10,186 9,189 2,193 5,194 1442,195 18.626,196 18.626,197 18.626,198 18.626,199 18.626,200 16.293,201 21.105,202 10.851,203 19.507,204 15.317,205 15.317,206 15.317,207 15.317,208 15.317,209 11.804,210 27.752,211 5.212,212 16.96,213 3.326,214 1.701,215 1.088,216 0.638,217 0.569,218 0.569,219 4.081,220 2,221 1,224 1,225 530,226 4.062,228 313.351,229 1.153,230 57.016,232 0.75,233 0.67,234 1,235 0.4,237 1,238 1,239 0.69,240 66,241 255,242 4.619,243 4.473,244 7.296,245 4.314,246 3.419,247 4.151,248 12.498,249 3.133,250 4.288,251 3.738,252 6.6,253 3.973,254 3.05,255 3.857,256 1.23,257 10.4,258 2.775,259 3.966,260 3.143,261 5.875,262 3.552,263 2.637,264 3.457,265 0.521,266 8.12,267 2.456,268 3.858,269 2.934,270 5.424,271 3.474,272 2.505,273 3.156,275 7.171,276 2.34,277 3.692,278 2.791,279 5.239,280 3.182,281 2.329,282 3.034,283 6.533,284 1.934,285 3.371,286 2.623,287 5.029,288 2.928,289 2.044,290 2.622,291 5.924,292 1.705,293 3.232,294 2.424,295 4.618,296 2.707,297 1.879,298 2.481,299 4.963,300 1.469,301 2.92,302 2.14,303 4.585,304 2.484,305 1.5,306 2.087,307 4.219,308 1.441,309 2.796,310 1.603,311 4.103,312 2.303,313 1.353,314 1.848,315 3.245,316 1.231,317 2.576,318 1.29,319 3.664,320 2.037,321 1.13,322 1.605,323 2.952,324 1.013,325 2.5,326 1.15,327 3.409,328 2,329 1,330 1.5,331 2.136,332 1,333 2.004,334 1,335 3.247,336 1.602,337 0.616,338 0.793,339 1.621,340 0.59,341 1.166,342 0.51,343 2.864,344 0.693,345 -0.196,346 -0.245,347 -0.476,348 -0.142,349 1.012,350 0.51,351 2.7,352 0.606,353 -0.342,354 -0.445,355 -0.871,356 -0.229,357 1,358 0.478,359 2.419,360 0.473,361 -0.347,362 -0.448,364 -0.891,365 -0.273,366 14.033,367 0.484,368 1.025,369 0.035,370 39,371 1.345,372 20,373 0.69,374 19,375 0.655,376 24.493,377 0.845,378 30.967,379 0.774,380 33.933,381 1.17,382 7.958,383 0.274,384 5.689,385 0.196,386 0.238,387 0.036,388 0.314,389 3,390 0.585,391 0.971,392 0.468,393 0.801,394 0.603,395 0.763,396 0.452,397 0.725,398 0.558,399 0.781,400 0.411,401 0.836,402 0.65,403 0.816,404 0.891,405 1.053,406 0.616,407 1.118,408 0.832,409 0.97,410 0.621,411 0.916,412 0.924,413 0.906,414 0.738,415 0.702,416 0.712,417 0.794,418 0.897,419 0.795,420 0.708,421 0.804,422 0.908,423 1.065,424 0.731,425 1.063,426 1.093,427 1.1,428 0.792,429 0.846,430 1.081,431 0.948,432 1.378,433 1.292,434 1.493,435 1.231,436 1.278,437 1.181,438 8,439 0.074,440 3.333,441 2.688,442 2.476,443 1.306,444 0.878,445 0.804,446 0.621,447 0.316,448 8753,449 41711,450 1.965,451 27.5,453 10,455 1,459 1.731,460 1.785,461 3.068,462 -0.649,466 79.848,467 1.996,468 3.621,469 4.234,470 4.684,471 4.753,472 4.753,473 2.382,474 4.28,475 4.832,476 3.248,477 1318.49,478 8.48,479 17673,484 212.877,485 1.713,486 4.748,487 0.258,488 0.008,489 0.074,490 0.058,491 0.052,492 0.025,493 0.018,494 0.016,495 0.014,496 0.011,497 0.534,498 0.33,499 0.75,500 0.83,501 143.527,502 -0.032,503 -0.116,504 0.001,505 -0.058,506 -0.083,507 -0.027,508 0.36,509 0.293,510 0.059,511 0.041,512 0.39,513 -0.052,514 0.029,515 -0.049,516 -0.09,517 -0.181,518 0.025,519 -0.18,520 0.014,521 -0.156,522 0.196,523 0.002,524 -0.031,525 0.087,526 0.332,527 0.316,528 0.125,529 0.162,530 0.268,531 0.15,532 0.014,533 -0.072,534 -0.063,535 -0.173,536 -0.007,537 -0.122,538 -0.183,539 -0.123,540 0.022,541 0.106,542 -0.154,543 0.056,544 -0.268,545 -0.235,546 -0.229,547 -0.163,548 -0.228,549 -0.148,550 6.151,551 6.168,552 0.621,553 22.994,554 1.058,555 1.137,556 4.67,557 21.808,558 0.755,559 3.466,560 3.829,561 4.025,562 4.304,563 4.543,564 4.543,565 4.625,566 4.682,567 4.762,568 4.682,569 5.704,570 0.752,571 460.68,572 3.466,573 5.03,574 5.866,575 6.765,576 7.627,577 8.528,578 9.402,579 10.303,580 11.185,581 12.086,582 7.5,586 1,588 2,589 9,590 2,593 7,594 18,597 1,604 3,605 40,606 19,607 2,608 31,609 42,610 19,611 16,612 4,613 8,614 1,615 3,616 3,617 3,618 1,620 1,622 17,623 2,624 1,625 1,626 1,630 3,631 11,632 7,634 10,635 3,637 3,638 1,641 1,643 3,644 3,647 3,648 3,649 29,652 1,656 1,657 1,659 6,660 2.5,662 1,665 16.25,666 7.374,667 6.194,668 2.18,670 2.363,671 1.337,672 0.983,673 6.448,674 9.382,675 3.738,676 4.35,677 4.866,678 5.416,679 5.925,680 6.009,681 6.228,682 6.519,683 6.898,684 7.146,685 0.833,686 46,687 11.519,688 5.738,689 8.445,690 19.052,691 15.265,692 2.945,693 85.417,695 129.482,696 120.956,697 36.695,698 117.446,699 25.145,700 44.88,702 120.956,703 272.073,704 81.576,706 5.23,707 75.81,708 75.192,709 72.814,710 41.792,711 117.711,712 86.057,713 129.482,714 157.651,715 70.025,716 117.446,717 129.482,718 70.025,720 27.437,721 96.644,722 111.868,723 39.149,724 174.362,725 61.84,726 238.402,729 137.242,730 28.339,731 87.982,733 221.042,734 129.482,735 106.721,736 238.402,737 0.595,738 0.326,739 0.179,740 0.107,741 21,742 11,743 0.095,744 4,745 3.751,746 260.741,747 18,748 126.127,750 21.538,751 8.682,752 5.256,753 106.721,754 13.794,755 6.761,758 -1.43,760 474.605,761 41,762 13.168,763 -0.976,765 42.327,766 45.462,767 0.375,768 0.68,769 0.796,770 0.88,771 0.893,772 0.893,773 4.994,774 1.5,775 5.911,776 4.963,777 4.511,778 5.037,779 3.189,780 6.77,781 4.326,782 6.236,783 1.353,784 7.509,785 4.219,786 4.369,787 4.924,788 3.911,789 7.938,790 3.957,791 7.563,792 1.13,793 9.218,794 3.245,795 6.196,796 7.211,797 5.438,798 10.989,799 5.853,800 8.922,801 1,802 10.994,803 2.952,804 6.804,805 7.798,806 6.691,807 12.964,808 6.263,809 10.308,810 0.616,811 12.815,812 2.136,813 8.205,814 9.641,815 8.059,816 15.635,817 7.69,818 11.714,819 -0.196,820 14.668,821 1.621,822 9.142,823 10.577,824 9.389,825 17.931,826 8.47,827 13.138,828 -0.342,829 16.546,830 -0.476,831 10.398,832 12.213,833 10.734,834 20.487,835 9.704,836 3.419,837 -0.347,838 18.443,839 -0.871,840 11.483,841 13.344,842 12.074,843 22.91,844 10.663,845 3.05,846 12.498,847 20.355,848 -0.891,849 12.694,850 14.871,851 13.417,852 25.432,853 11.82,854 2.637,855 10.4,856 22.28,857 4.151,858 13.846,859 16.117,860 14.758,861 27.908,862 12.864,863 2.505,864 8.12,865 24.215,866 3.857,867 15.047,868 17.586,869 16.1,870 30.423,871 13.994,872 2.329,873 7.171,874 26.158,875 3.457,876 16.23,877 18.898,878 17.441,879 32.921,880 15.079,881 2.044,882 6.533,883 28.107,884 3.156,885 17.434,886 20.336,887 18.783,888 35.436,889 16.202,890 1.879,891 5.924,892 30.062,893 3.034,894 18.633,895 21.688,896 20.124,897 37.945,898 17.309,899 8733,900 19298,901 19.592,902 30.188,903 47.901,904 47.902,905 48.504,906 47.59,907 46.927,908 61.185,909 11.154,910 139.559,911 42.175,912 5.497,913 6.473,914 7.098,915 5.384,916 5.419,917 7.151,918 5.335,919 20.398,920 5.133,921 17.95,922 1.545,923 1.545,924 1.565,925 1.535,926 1.514,927 1.974,928 0.36,929 4.502,930 1.36,931 4.004,932 4.033,933 4.106,934 3.915,935 8.513,936 3.916,937 3.871,938 3.904,939 3.999,940 3.811,941 7.999,942 3.801,943 3.848,944 3.87,945 3.83,946 3.727,947 7.999,948 3.75,949 3.387,950 3.429,951 3.582,952 3.177,953 7.427,954 3.201,955 3.276,956 3.326,957 3.571,958 2.92,959 5.101,960 2.991,961 3.013,962 3.041,963 3.413,964 2.85,965 5.017,966 2.863,967 2.901,968 2.925,969 3.125,970 2.849,971 4.749,972 2.815,973 2.854,974 2.918,975 2.899,976 2.735,977 4.632,978 2.715,979 0.149,980 0.144,981 0.235,982 0.139,983 0.11,984 4.619,985 0.134,986 4.473,987 0.123,988 7.296,989 0.403,990 4.314,991 0.101,992 3.419,993 4.151,994 12.498,995 3.133,996 1.94,997 1.913,998 2.048,999 2.049,1000 1.187,1001 2.045,1002 1.856,1003 1.835,1004 1.922,1005 1.953,1006 1.047,1007 1.948,1008 1.772,1009 1.747,1010 1.794,1011 1.902,1012 0.872,1013 1.892,1014 1.288,1015 1.237,1016 1.481,1017 1.516,1018 0.66,1019 1.501,1020 0.987,1021 0.947,1022 1.181,1023 1.392,1024 0.218,1025 1.276,1026 0.932,1027 0.905,1028 1.063,1029 1.145,1030 0.155,1031 1.123,1032 0.886,1033 0.827,1034 1.019,1035 1.062,1036 0.105,1037 1.107,1038 0.849,1039 0.821,1040 1,1041 0.962,1043 1.004,1044 4.143,1045 5.493,1047 7.026,1049 8.644,1051 10.309,1053 17.569,1054 40.343,1057 -0.031,1061 1.12,1062 -4.901,1063 30.099,1064 79.848,1065 144.838,1066 169.367,1067 187.367,1068 190.122,1069 190.122,1070 82.56,1071 7.019,1072 46.09,1073 46.09,1074 18,1075 12.611,1076 4.322,1077 3.459,1078 51.74,1079 94,1080 101,1081 0.258,1082 194.543,1083 346.71,1084 466.445,1085 8563,1086 15,1087 21.181,1088 0.73,1089 0.575,1090 20.181,1091 16.689,1092 13.647,1093 0.44,1094 0.297,1095 8.009,1096 12.173,1097 7.801,1098 6.378,1099 13.302,1100 9.199,1101 13.495,1102 0.3,1103 0.158,1104 12.724,1105 7.115,1106 9.78,1107 0.178,1108 0.081,1109 9.733,1110 4.464,1111 8.35,1112 0.114,1113 0.045,1114 8.824,1115 3.268,1116 6.88,1117 0.074,1118 0.023,1119 6.301,1120 2.113,1121 0.388,1122 95.635,1123 0.226,1124 26.732,1125 0.768,1126 152,1127 705.614,1128 225.667,1129 690.907,1130 869.17,1131 634,1132 176,1133 536.027,1134 225.695,1135 553.991,1136 830.38,1137 517,1138 5.569}
{0 CHEMBL131636,1 2.083,2 11.516,3 5.189,4 26.923,5 98.452,6 10.44,7 0.375,8 3.943,9 4.03,10 3.737,11 3.398,12 5.301,13 3.466,14 4.521,15 4.651,16 4.271,17 3.722,18 6.572,19 3.804,20 4.641,21 4.804,22 4.218,23 3.836,24 6.181,25 3.892,26 4.761,27 4.927,28 4.28,29 3.772,30 6.363,31 3.887,32 4.709,33 4.842,34 4.463,35 3.693,36 6.723,37 3.848,38 4.617,39 4.751,40 4.177,41 3.678,42 6.501,43 3.771,44 4.556,45 4.695,46 4.121,47 3.702,48 6.408,49 3.772,50 4.627,51 4.807,52 4.104,53 3.67,54 6.191,55 3.758,56 0.57,57 1.075,58 3.131,59 4.22,60 97.696,61 3.543,62 1.827,63 2.143,64 13.02,65 6.834,66 300.298,67 6.276,68 1.432,69 1.641,70 16.124,71 8.013,72 191.873,73 8.453,74 2.009,75 1.821,76 23.301,77 8.709,78 307.735,79 7.659,80 2.046,81 1.629,82 20.519,83 7.335,84 295.844,85 5.949,86 2.085,87 1.385,88 17.63,89 7.482,90 327.737,91 6.084,92 1.573,93 1.631,94 14.066,95 7.248,96 270.91,97 6.69,98 1.804,99 1.812,100 17.59,101 8.197,102 291.214,103 6.999,104 114,105 47,106 0.362,107 0.696,108 0.819,109 0.876,110 0.876,111 0.876,112 3.472,113 0.845,114 -4.98,115 -4.88,116 -4.58,117 40,118 1,119 2,121 1,124 2,125 3,126 3,127 1,128 1,131 1,134 2,139 6,140 2,141 8,143 1,144 3,145 5,148 5,150 2,151 2,153 2,154 6,155 2,156 1,157 4,160 5,161 2,165 5,168 7,172 1,174 5,175 2,176 6,179 1,180 4,183 2,185 1,186 4,188 4,189 1,192 1,193 4,194 1700,195 19.314,196 19.314,197 19.314,198 19.314,199 19.314,200 17.735,201 22.373,202 11.229,203 20.246,204 15.757,205 15.757,206 15.757,207 15.757,208 15.757,209 13.109,210 26.515,211 5.329,212 17.433,213 3.408,214 1.484,215 0.778,216 0.45,217 0.45,218 0.45,219 4.126,221 1,223 1,224 1,225 716,226 5.099,228 231.191,229 1.727,230 88.405,232 1,233 0.83,234 1,235 0.8,236 0.5,237 1,238 1,239 0.88,240 75.833,241 357,242 4.601,243 4.473,244 7.285,245 4.291,246 3.406,247 4.137,248 12.427,249 3.083,250 4.501,251 4.461,252 7.124,253 4.209,254 3.336,255 4.021,256 3.825,257 11.741,258 2.988,259 4.085,260 3.661,261 6.105,262 3.768,263 2.82,264 3.34,265 1.674,266 8.865,267 2.604,268 3.916,269 3.569,270 6.038,271 3.615,272 2.677,273 3.111,274 1.058,275 8.556,276 2.446,277 3.695,278 2.922,279 5.342,280 3.246,281 2.356,282 3.032,283 6.867,284 2.114,285 3.526,286 2.623,287 5.06,288 3.045,289 2.164,290 2.808,291 6.08,292 1.787,293 2.956,294 2.164,295 4.6,296 2.667,297 1.718,298 2.049,299 4.665,300 1.623,301 2.758,302 1.991,303 4.41,304 2.458,305 1.52,306 1.775,307 3.827,308 1.381,309 2.711,310 1.884,311 4.141,312 2.237,313 1.297,314 1.745,315 3.7,316 1.167,317 2.571,318 1.605,319 3.845,320 2.151,321 1.184,322 1.593,323 2.84,324 1.124,325 2.521,326 1.29,327 3.487,328 2.023,329 1.101,330 1.474,331 2.646,332 1.002,333 1.737,334 1.181,335 2.963,336 1.549,337 0.571,338 0.634,339 0.956,340 0.55,341 1.202,342 0.564,343 2.843,344 0.841,345 -0.066,346 -0.079,347 -0.176,348 -0.052,349 1.153,350 0.51,351 2.735,352 0.608,353 -0.319,354 -0.411,355 -0.63,356 -0.272,357 0.804,358 0.51,359 2.665,360 0.581,361 -0.389,362 -0.445,364 -0.795,365 -0.372,366 13.629,367 0.44,368 1.262,369 0.041,370 35.75,371 1.153,372 15.5,373 0.5,374 20.25,375 0.653,376 28.126,377 0.907,378 36.771,379 0.817,380 36.907,381 1.191,382 7.364,383 0.238,384 6.96,385 0.225,386 0.264,387 0.073,388 0.294,389 6,390 0.649,391 1.018,392 0.514,393 1.094,394 0.648,395 0.935,396 0.442,397 0.681,398 0.52,399 0.917,400 0.394,401 0.899,402 0.651,403 0.842,404 0.571,405 1.018,406 0.586,407 0.95,408 1.128,409 1.042,410 0.858,411 0.941,412 1.094,413 0.835,414 0.882,415 0.852,416 0.728,417 0.939,418 0.981,419 0.833,420 0.967,421 0.937,422 0.869,423 0.911,424 1.04,425 0.976,426 0.727,427 1.02,428 0.77,429 1.057,430 0.703,431 1.066,432 1.234,433 1.356,434 0.938,435 1.144,436 1.214,437 1.085,438 10,439 0.231,440 4.222,441 2.875,442 2.582,443 1.632,444 0.835,445 0.677,446 0.625,447 0.602,448 10672,449 55952,450 1.857,451 31.1,452 5,453 5,455 1,456 1,458 2,459 1.743,460 1.661,461 3.417,462 -0.169,466 93.752,467 2.083,468 4.008,469 4.714,470 5.042,471 5.042,472 5.042,473 2.889,474 4.454,475 4.924,476 3.618,477 1682.33,478 8.636,479 23939.8,484 247.133,485 1.816,486 4.812,487 0.313,488 0.007,489 0.09,490 0.06,491 0.053,492 0.032,493 0.02,494 0.016,495 0.016,496 0.015,497 0.62,498 0.17,499 0.88,500 1.652,501 160.137,502 -0.054,503 -0.101,505 -0.078,506 -0.081,507 -0.025,508 0.422,509 0.322,510 0.22,511 0.063,512 0.434,513 0.026,514 0.038,515 -0.092,516 0.207,517 -0.073,518 0.061,519 0.094,520 -0.218,521 -0.205,522 0.05,523 -0.009,524 -0.189,525 0.158,526 0.15,527 0.124,528 0.196,529 -0.005,530 0.067,531 0.031,532 0.026,533 0.02,534 -0.047,535 0.059,536 -0.027,537 -0.035,538 0.08,539 -0.164,540 0.005,541 -0.103,542 0.141,543 -0.092,544 -0.257,545 -0.279,546 -0.068,547 -0.15,548 -0.235,549 -0.075,550 6.332,551 5.314,552 0.387,553 30.102,554 1.081,555 1.174,556 3.751,557 14.07,558 0.66,559 3.497,560 3.871,561 4.007,562 4.22,563 4.477,564 4.466,565 4.554,566 4.489,567 4.615,568 4.663,569 6.786,570 0.691,571 469.8,572 3.497,573 5.069,574 5.889,575 6.788,576 7.642,577 8.539,578 9.408,579 10.303,580 11.18,581 12.074,582 6.7,586 1,588 2,589 4,590 2,593 6,594 12,596 1,598 1,604 1,605 45,606 14,607 1,608 32,609 46,610 18,611 10,612 3,613 3,614 2,615 2,616 2,617 1,618 3,620 2,621 2,622 12,623 6,624 2,625 2,626 2,630 6,631 14,632 12,633 1,634 13,635 1,637 3,638 3,641 1,643 2,644 2,646 1,647 1,648 6,649 31,652 3,653 1,654 1,657 2,659 7,660 6.7,662 2,664 1,665 18.667,666 8.483,667 6.667,668 2.696,670 2.352,671 1.331,672 0.934,673 7.775,674 9.461,675 3.714,676 4.29,677 4.771,678 5.292,679 5.826,680 5.982,681 6.239,682 6.254,683 6.584,684 6.825,685 0.875,686 48,687 13.408,688 7.522,689 8.998,690 19.663,691 15.375,692 3.498,693 108.444,695 153.024,696 101.091,697 51.582,698 39.149,699 61.29,700 89.761,702 101.091,703 253.463,704 141.342,705 8.825,706 27.672,707 28.429,708 107.528,709 124.878,710 41.792,711 141.253,712 15.519,713 153.024,714 152.673,715 151.05,716 39.149,717 129.482,718 174.593,720 66.464,721 52.638,722 33.571,723 39.149,724 242.785,725 112.872,726 140.24,729 168.543,730 39.271,731 46.301,732 18.011,733 223.77,734 153.024,735 202.632,736 140.24,737 0.597,738 0.317,739 0.155,740 0.098,741 20,742 12,743 0.152,744 7,745 3.882,746 269.09,747 12,748 144.07,750 24.747,751 9.74,752 6.732,753 202.632,754 2.313,755 6.266,758 -5.941,759 18.011,760 495.896,761 40,762 24.358,763 -2.533,765 48.64,766 52.842,767 0.379,768 0.73,769 0.858,770 0.918,771 0.918,772 0.918,773 4.997,774 1.52,775 5.974,776 4.665,777 4.554,778 4.977,779 3.882,780 6.86,781 4.374,782 6.253,783 1.297,784 7.602,785 3.827,786 4.575,787 5.037,788 4.586,789 8.199,790 4.186,791 7.602,792 1.184,793 9.348,794 3.7,795 6.312,796 7.152,797 6.151,798 11.177,799 5.948,800 8.983,801 1.101,802 11.161,803 2.84,804 7.048,805 7.9,806 7.382,807 13.247,808 6.487,809 10.392,810 0.571,811 13.017,812 2.646,813 8.408,814 9.621,815 8.758,816 15.882,817 7.832,818 11.821,819 -0.066,820 14.901,821 0.956,822 9.422,823 10.678,824 10.082,825 18.217,826 8.684,827 13.264,828 -0.319,829 16.805,830 -0.176,831 10.666,832 12.237,833 11.429,834 20.753,835 9.872,836 3.406,837 -0.389,838 18.724,839 -0.63,840 11.793,841 13.453,842 12.767,843 23.187,844 10.863,845 3.336,846 12.427,847 20.655,848 -0.795,849 13.003,850 14.934,851 14.11,852 25.695,853 11.993,854 2.82,855 11.741,856 22.594,857 4.137,858 14.176,859 16.236,860 15.451,861 28.169,862 13.046,863 2.677,864 8.865,865 24.54,866 4.021,867 15.381,868 17.681,869 16.793,870 30.671,871 14.157,872 2.356,873 8.556,874 26.492,875 3.34,876 16.574,877 19.03,878 18.134,879 33.161,880 15.238,881 2.164,882 6.867,883 28.448,884 3.111,885 17.78,886 20.456,887 19.476,888 35.662,889 16.344,890 1.718,891 6.08,892 30.408,893 3.032,894 18.983,895 21.831,896 20.818,897 38.16,898 17.44,899 11084,900 25691,901 19.186,902 29.716,903 49.153,904 49.176,905 50.3,906 48.77,907 48.3,908 59.437,909 20.766,910 146.338,911 43.738,912 5.486,913 6.473,914 7.195,915 5.361,916 5.406,917 7.137,918 5.5,919 20.135,920 5.083,921 23.056,922 1.536,923 1.537,924 1.572,925 1.524,926 1.509,927 1.857,928 0.649,929 4.573,930 1.367,931 3.998,932 4.022,933 4.024,934 3.898,935 8.517,936 3.908,937 3.881,938 3.91,939 3.926,940 3.733,941 8.509,942 3.76,943 3.679,944 3.741,945 3.563,946 3.521,947 7.999,948 3.506,949 3.41,950 3.442,951 3.534,952 3.134,953 7.999,954 3.183,955 3.373,956 3.401,957 3.408,958 3.088,959 7.999,960 3.141,961 3.276,962 3.325,963 3.34,964 2.921,965 7.999,966 2.991,967 3.153,968 3.213,969 3.137,970 2.9,971 7.434,972 2.914,973 2.974,974 3.004,975 2.895,976 2.771,977 7.428,978 2.782,979 0.144,980 0.14,981 0.228,982 0.134,983 0.106,984 4.601,985 0.129,986 4.473,987 0.12,988 7.285,989 0.388,990 4.291,991 0.096,992 3.406,993 4.137,994 12.427,995 3.083,996 1.927,997 1.909,998 2.001,999 2.044,1000 1.24,1001 2.026,1002 1.781,1003 1.755,1004 1.953,1005 1.952,1006 1.126,1007 1.918,1008 1.677,1009 1.613,1010 1.803,1011 1.867,1012 0.871,1013 1.893,1014 1.252,1015 1.225,1016 1.553,1017 1.551,1018 0.71,1019 1.529,1020 1.18,1021 1.143,1022 1.269,1023 1.516,1024 0.294,1025 1.428,1026 1.08,1027 1.015,1028 1.225,1029 1.397,1030 0.27,1031 1.326,1032 0.986,1033 0.947,1034 1.03,1035 1.346,1036 0.181,1037 1.271,1038 0.846,1039 0.828,1040 1.019,1041 1.131,1043 1.074,1044 4.174,1045 5.533,1047 7.064,1049 8.677,1051 10.34,1052 1.807,1053 5.336,1054 78.964,1057 1.108,1058 1.895,1059 4.855,1062 -9.985,1063 31.077,1064 93.752,1065 180.339,1066 212.114,1067 226.869,1068 226.869,1069 226.869,1070 151.362,1071 7.109,1072 81.18,1073 81.18,1074 12,1075 12.604,1076 3.907,1077 3.17,1078 72.603,1079 124,1080 156,1081 0.284,1082 193.12,1083 363.32,1084 462.973,1085 10514,1086 15.6,1087 23.397,1088 0.755,1089 0.531,1090 18.897,1091 16.452,1092 14.324,1093 0.448,1094 0.282,1095 8.4,1096 12.996,1097 8.313,1098 6.827,1099 12.19,1100 9.009,1101 14.637,1102 0.311,1103 0.138,1104 11.092,1105 6.478,1106 9.848,1107 0.182,1108 0.073,1109 8.341,1110 3.94,1111 7.583,1112 0.113,1113 0.037,1114 6.916,1115 2.448,1116 6.594,1117 0.076,1118 0.019,1119 4.884,1120 1.619,1121 0.441,1122 96.951,1123 0.228,1124 28.828,1125 0.795,1126 158,1127 977.7,1128 222.819,1129 794.239,1130 983.44,1131 726,1132 180,1133 630.125,1134 224.306,1135 603.338,1136 923.47,1137 561,1138 6.921}
{0 CHEMBL131741,1 2.098,2 8.792,3 4.219,4 17.798,5 85.563,6 10.834,7 0.48,8 3.693,9 3.793,10 3.539,11 3.201,12 5.014,13 3.238,14 4.221,15 4.375,16 4.034,17 3.551,18 6.067,19 3.591,20 4.337,21 4.467,22 4.038,23 3.671,24 5.857,25 3.679,26 4.468,27 4.667,28 4.188,29 3.579,30 6.019,31 3.632,32 4.364,33 4.509,34 3.989,35 3.474,36 6.311,37 3.522,38 4.219,39 4.377,40 3.913,41 3.404,42 5.882,43 3.456,44 4.318,45 4.516,46 3.763,47 3.302,48 5.969,49 3.377,50 4.078,51 4.238,52 3.761,53 3.126,54 5.709,55 3.185,56 0.301,57 0.723,58 1.989,59 2.813,60 39.593,61 2.588,62 0.996,63 1.368,64 9.313,65 4.748,66 149.217,67 4.489,68 0.755,69 1.115,70 11.54,71 5.618,72 81.845,73 5.425,74 1.016,75 1.223,76 20.779,77 5.937,78 117.125,79 5.996,80 1.3,81 1.157,82 15.16,83 5.465,84 181.657,85 4.845,86 0.873,87 1.156,88 11.143,89 5.701,90 118.376,91 5.369,92 1.363,93 1.146,94 15.189,95 5.851,96 201.141,97 3.601,98 0.949,99 0.807,100 13.78,101 4.089,102 135.985,103 2.46,104 69,105 37,106 0.387,107 0.729,108 0.771,109 0.786,110 0.786,111 0.786,112 3.229,113 0.867,114 -4.4,115 -4.34,116 -4.09,117 40,120 2,124 1,125 3,126 1,127 3,128 1,131 1,134 1,140 3,141 3,143 1,144 3,145 7,153 2,154 3,155 2,156 3,157 5,167 1,168 7,170 1,174 3,183 8,194 816,195 14.85,196 14.85,197 14.85,198 14.85,199 14.85,200 13.296,201 21.694,202 8.439,203 15.623,204 12.324,205 12.324,206 12.324,207 12.324,208 12.324,209 9.836,210 31.728,211 4.014,212 13.73,213 3.032,214 1.172,215 0.943,216 0.865,217 0.865,218 0.865,219 3.878,220 2,223 1,224 1,225 426,226 4,228 171.616,229 1.326,230 50.586,231 1,232 1,233 1,234 1,235 0.6,236 0.5,237 1,238 1,239 0.87,240 56.167,241 211,242 4.607,243 4.473,244 7.287,245 4.297,246 3.41,247 4.147,248 12.438,249 3.088,250 4.176,251 3.574,252 6.097,253 3.751,254 2.822,255 3.812,256 1.058,257 8.739,258 2.588,259 3.932,260 3.131,261 5.896,262 3.599,263 2.713,264 3.202,265 0.8,266 8.146,267 2.383,268 3.835,269 2.97,270 5.648,271 3.491,272 2.551,273 3.066,275 7.763,276 2.334,277 3.3,278 2.623,279 4.936,280 2.893,281 1.984,282 2.542,283 5.728,284 1.736,285 3.232,286 2.317,287 4.618,288 2.707,289 1.879,290 2.481,291 4.963,292 1.441,293 2.883,294 2.191,295 4.532,296 2.453,297 1.506,298 1.926,299 4.193,300 1.396,301 2.578,302 1.373,303 3.853,304 2.053,305 1.158,306 1.608,307 2.927,308 1.026,309 2.352,310 1.281,311 3.756,312 1.963,313 1.011,314 1.296,315 2.618,316 0.954,317 1.193,318 0.519,319 2.952,320 0.821,321 -0.145,322 -0.179,323 -0.412,324 -0.137,325 1,326 0.51,327 2.698,328 0.526,329 -0.347,330 -0.445,331 -0.891,332 -0.229,333 0.987,334 0.51,335 2.382,336 0.473,337 -0.433,338 -0.565,339 -1.11,340 -0.303,341 0.7,342 0.255,343 2.311,344 0.205,345 -0.595,346 -0.728,347 -1.375,348 -0.454,349 0.617,350 0.173,351 2.173,352 0.113,353 -0.819,354 -1,355 -2,356 -0.7,357 0.127,358 -0.049,359 2,360 -0.1,361 -1,362 -1,364 -2.629,365 -0.7,366 11.219,367 0.467,368 1.012,369 0.042,370 30.75,371 1.281,372 14.5,373 0.604,374 16.25,375 0.677,376 18.934,377 0.789,378 27.181,379 0.777,380 26.183,381 1.091,382 6.374,383 0.266,384 4.701,385 0.196,386 0.323,387 0.045,388 0.348,389 3,390 0.643,391 1.142,392 0.494,393 0.945,394 0.626,395 0.855,396 0.517,397 0.632,398 0.525,399 0.551,400 0.407,401 0.582,402 0.746,403 0.985,404 1.048,405 1.224,406 0.691,407 1.219,408 0.873,409 0.948,410 0.561,411 0.725,412 0.857,413 0.672,414 0.938,415 0.766,416 1.061,417 0.969,418 1.157,419 1.083,420 1.014,421 1.361,422 0.633,423 1.147,424 1.093,425 1.003,426 2.237,427 1.563,428 1.154,429 0.724,430 2.264,431 0.848,432 1.846,433 1.293,434 1.49,435 0.971,436 1.926,437 0.979,438 8,439 0.103,440 3.111,441 2.625,442 1.884,443 1.306,444 0.53,445 0.384,446 0.395,447 0.148,448 5273,449 26118,450 1.87,451 31.4,453 9,455 1,456 1,459 1.674,460 1.665,461 3.124,462 -0.136,463 1,466 73.413,467 2.098,468 3.957,469 4.186,470 4.265,471 4.265,472 4.265,473 2.507,474 3.605,475 4.558,476 3.302,477 911.38,478 7.889,479 10603.3,481 1,483 1,484 179.525,485 1.766,486 4.443,487 0.32,488 0.015,489 0.084,490 0.071,491 0.051,492 0.04,493 0.018,494 0.015,495 0.019,496 0.008,497 0.64,498 0.5,499 1,500 1.018,501 112.785,502 -0.074,503 -0.208,504 -0.002,505 -0.098,506 -0.104,507 -0.042,508 0.324,509 0.388,510 0.162,511 0.326,512 0.414,513 0.279,514 -0.046,515 -0.147,516 -0.211,517 -0.315,518 -0.038,519 -0.334,520 -0.031,521 -0.154,522 0.307,523 0.147,524 -0.022,525 0.296,526 0.26,527 0.387,528 -0.223,529 -0.028,530 0.149,531 -0.242,532 0.005,533 -0.29,534 0.151,535 -0.176,536 -0.004,537 -0.023,538 -0.707,539 -0.056,540 -0.301,541 0.285,542 -0.594,543 0.046,544 -0.542,545 -0.178,546 -0.31,547 0.036,548 -0.541,549 -0.111,550 6.063,551 5.194,552 0.5,553 18.667,554 1.063,555 1.16,556 3.175,557 10.079,558 0.702,559 3.258,560 3.638,561 3.784,562 4.025,563 4.205,564 4.248,565 4.174,566 4.094,567 4.127,568 4.025,569 5.535,570 0.708,571 379.19,572 3.258,573 4.828,574 5.652,575 6.553,576 7.402,577 8.301,578 9.161,579 10.059,580 10.925,581 11.822,582 11.4,585 1,586 1,588 2,589 4,590 2,593 6,594 12,596 1,601 1,604 2,605 35,606 13,607 1,608 25,609 36,610 14,611 10,612 3,613 3,614 1,615 2,616 2,617 2,618 1,620 1,622 11,623 3,624 1,625 1,626 1,629 1,630 3,631 11,632 8,633 1,634 10,635 2,637 4,638 1,641 1,643 2,644 2,646 2,647 2,648 3,649 24,653 1,656 1,657 1,659 5,660 2.9,662 1,665 14.417,666 7.064,667 5.083,668 1.783,670 2.236,671 1.34,672 0.951,673 5.459,674 8.811,675 3.497,676 4.111,677 4.605,678 5.152,679 5.628,680 5.791,681 5.894,682 5.942,683 6.219,684 6.448,685 0.833,686 37,687 9.544,688 4.726,689 8.61,690 15.479,691 12.01,692 3.11,693 74.639,695 117.711,696 84.332,697 54.706,698 78.297,699 25.145,700 44.88,702 84.332,703 221.153,704 99.586,705 16.793,706 18.011,707 28.429,708 75.192,709 72.752,710 1.899,711 105.94,712 86.057,713 117.711,714 139.039,715 70.025,716 78.297,717 117.711,718 70.025,720 39.474,721 65.994,722 111.868,724 162.591,725 79.851,726 162.63,729 125.471,730 22.304,731 57.393,732 18.011,733 181.894,734 117.711,735 124.731,736 162.63,737 0.605,738 0.323,739 0.166,740 0.093,741 17,742 10,743 0.083,744 3,745 3.34,746 189.664,747 12,748 97.284,750 18.622,751 7.035,752 4.656,753 124.731,754 4.961,755 7.17,758 -1.58,759 18.011,760 405.072,761 32,762 12.194,763 -1.022,765 37.222,766 40.601,767 0.409,768 0.772,769 0.816,770 0.831,771 0.831,772 0.831,773 4.771,774 1.158,775 5.727,776 4.193,777 4.317,778 4.796,779 3.18,780 6.592,781 4.115,782 6.029,783 1.011,784 7.339,785 2.927,786 4.29,787 4.82,788 3.911,789 7.806,790 3.886,791 7.37,792 -0.145,793 9.058,794 2.618,795 6.028,796 6.985,797 5.433,798 10.809,799 5.646,800 8.74,801 -0.347,802 10.84,803 -0.412,804 6.698,805 7.677,806 6.69,807 12.8,808 6.128,809 10.135,810 -0.433,811 12.664,812 -0.891,813 8.056,814 9.443,815 8.059,816 15.449,817 7.477,818 11.549,819 -0.595,820 14.517,821 -1.11,822 9.021,823 10.455,824 9.389,825 17.758,826 8.285,827 12.978,828 -0.819,829 16.395,830 -1.375,831 10.257,832 12.043,833 10.734,834 20.308,835 9.475,836 3.41,837 -1,838 18.291,839 -2,840 11.352,841 13.229,842 12.074,843 22.745,844 10.44,845 2.822,846 12.438,847 20.204,848 -2.629,849 12.554,850 14.729,851 13.416,852 25.27,853 11.571,854 2.713,855 8.739,856 22.129,857 4.147,858 13.71,859 16.01,860 14.758,861 27.757,862 12.611,863 2.551,864 8.146,865 24.065,866 3.812,867 14.908,868 17.464,869 16.1,870 30.276,871 13.724,872 1.984,873 7.763,874 26.009,875 3.202,876 16.094,877 18.8,878 17.441,879 32.783,880 14.803,881 1.879,882 5.728,883 27.961,884 3.066,885 17.298,886 20.231,887 18.783,888 35.303,889 15.914,890 1.506,891 4.963,892 29.919,893 2.542,894 18.499,895 21.599,896 20.124,897 37.818,898 17.013,899 5480,900 12339,901 15.027,902 24.574,903 38.749,904 38.723,905 39.964,906 38.428,907 38.071,908 48.161,909 11.367,910 115.026,911 33.895,912 5.451,913 6.473,914 6.546,915 5.367,916 5.41,917 7.147,918 5.335,919 20.147,920 5.088,921 17.109,922 1.55,923 1.549,924 1.599,925 1.537,926 1.523,927 1.926,928 0.455,929 4.601,930 1.356,931 3.971,932 4.006,933 4.093,934 3.873,935 8.513,936 3.873,937 3.865,938 3.894,939 3.914,940 3.734,941 7.999,942 3.759,943 3.514,944 3.592,945 3.582,946 3.266,947 7.999,948 3.286,949 3.324,950 3.361,951 3.435,952 2.996,953 7.429,954 3.056,955 3.14,956 3.21,957 3.381,958 2.849,959 5.025,960 2.884,961 2.901,962 3.009,963 3.128,964 2.834,965 4.928,966 2.815,967 2.874,968 2.918,969 2.888,970 2.618,971 4.632,972 2.631,973 2.783,974 2.817,975 2.499,976 2.616,977 4.221,978 2.57,979 0.184,980 0.179,981 0.291,982 0.172,983 0.136,984 4.607,985 0.166,986 4.473,987 0.153,988 7.287,989 0.498,990 4.297,991 0.124,992 3.41,993 4.147,994 12.438,995 3.088,996 1.888,997 1.868,998 1.939,999 2.031,1000 1.061,1001 2.001,1002 1.793,1003 1.76,1004 1.863,1005 1.932,1006 0.925,1007 1.928,1008 1.448,1009 1.365,1010 1.699,1011 1.711,1012 0.78,1013 1.711,1014 1.102,1015 1.061,1016 1.417,1017 1.447,1018 0.469,1019 1.361,1020 0.951,1021 0.896,1022 1.215,1023 1.316,1024 0.223,1025 1.308,1026 0.934,1027 0.827,1028 1.019,1029 1.239,1030 0.105,1031 1.242,1032 0.849,1033 0.804,1034 1,1035 0.962,1037 1.004,1038 0.717,1039 0.682,1040 0.897,1041 0.92,1043 0.92,1044 3.932,1045 5.293,1047 6.825,1049 8.441,1051 10.102,1052 2.979,1053 11.586,1054 39.564,1058 2.3,1061 1.299,1062 -4.813,1063 24.766,1064 73.413,1065 138.505,1066 146.505,1067 149.26,1068 149.26,1069 149.26,1070 72.345,1071 6.575,1072 58.12,1073 58.12,1074 12,1075 12.352,1076 3.807,1077 3,1078 48.194,1079 78,1080 68,1081 0.305,1082 161.218,1083 287.18,1084 385.133,1085 5141,1086 14.3,1087 18.069,1088 0.753,1089 0.582,1090 16.569,1091 13.961,1092 11.074,1093 0.443,1094 0.289,1095 6.352,1096 9.797,1097 6.127,1098 5.069,1099 10.44,1100 7.223,1101 11.45,1102 0.309,1103 0.157,1104 10.271,1105 5.81,1106 7.712,1107 0.179,1108 0.075,1109 7.403,1110 3.246,1111 6.516,1112 0.118,1113 0.042,1114 6.713,1115 2.321,1116 4.803,1117 0.073,1118 0.019,1119 4.177,1120 1.258,1121 0.466,1122 77.639,1123 0.258,1124 23.056,1125 0.873,1126 124,1127 633.744,1128 182.013,1129 587.89,1130 735.26,1131 538,1132 142,1133 460.01,1134 183.103,1135 467.311,1136 698.51,1137 433,1138 5}
{0 CHEMBL131789,1 2.112,2 8.875,3 3.03,4 9.178,5 80.004,6 10.335,7 0.48,8 3.707,9 3.789,10 3.505,11 3.147,12 5.063,13 3.218,14 4.227,15 4.354,16 3.976,17 3.436,18 6.096,19 3.532,20 4.261,21 4.368,22 3.953,23 3.567,24 5.802,25 3.631,26 4.405,27 4.542,28 4.022,29 3.565,30 5.979,31 3.631,32 4.513,33 4.687,34 4.149,35 3.46,36 6.441,37 3.554,38 4.215,39 4.359,40 3.677,41 3.346,42 5.731,43 3.381,44 4.202,45 4.405,46 3.594,47 3.313,48 5.595,49 3.333,50 4.204,51 4.384,52 3.619,53 3.148,54 5.73,55 3.228,56 0.373,57 0.689,58 2.693,59 3.015,60 41.37,61 2.577,62 1.181,63 1.313,64 11.284,65 4.624,66 155.276,67 4.021,68 0.807,69 1.083,70 6.877,71 4.954,72 75.413,73 4.248,74 1.004,75 1.231,76 11.441,77 6.257,78 104.364,79 6.08,80 1.697,81 1.039,82 22.3,83 6.267,84 225.433,85 6.121,86 1.007,87 0.828,88 10.81,89 4.64,90 90.531,91 4.02,92 0.835,93 0.898,94 14.837,95 5.346,96 90.654,97 6.201,98 1.171,99 0.872,100 15.025,101 5.001,102 159.948,103 4.355,104 59,105 36,106 0.389,107 0.729,108 0.771,109 0.786,110 0.786,111 0.786,112 3.229,113 0.812,114 -2.99,115 -2.99,116 -2.88,117 40,120 2,124 1,125 3,126 1,127 3,128 1,131 1,134 1,140 1,141 9,143 1,144 3,145 3,153 3,154 4,155 4,156 1,157 3,167 2,168 8,172 1,174 1,182 4,183 2,186 2,194 784,195 15.383,196 15.383,197 15.383,198 15.383,199 15.383,200 13.858,201 22.203,202 8.81,203 16.307,204 12.211,205 12.211,206 12.211,207 12.211,208 12.211,209 9.679,210 31.057,211 4.047,212 13.627,213 3.018,214 1.172,215 0.943,216 0.865,217 0.865,218 0.865,219 3.882,221 1,222 1,223 1,224 1,225 430,226 3.873,228 169.791,229 1.24,230 50.008,231 1,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 57.333,241 213,242 4.599,243 4.473,244 7.285,245 4.29,246 3.406,247 4.134,248 12.427,249 3.078,250 4.208,251 3.573,252 6.089,253 3.805,254 2.853,255 3.841,256 1.058,257 8.752,258 2.702,259 3.892,260 3.048,261 5.771,262 3.569,263 2.643,264 3.07,265 0.86,266 8.178,267 2.392,268 3.658,269 2.918,270 5.141,271 3.135,272 2.296,273 3.02,274 0.86,275 6.341,276 1.928,277 3.355,278 2.555,279 4.97,280 2.972,281 2.061,282 2.604,283 5.819,284 1.867,285 3.309,286 2.287,287 4.969,288 2.907,289 1.985,290 2.558,291 5.818,292 1.743,293 2.773,294 2.135,295 4.439,296 2.265,297 1.327,298 1.788,299 3.877,300 1.187,301 2.572,302 1.29,303 3.849,304 2.024,305 1.106,306 1.595,307 2.84,308 1.003,309 1.593,310 1.112,311 2.963,312 1.329,313 0.482,314 0.522,315 0.683,316 0.405,317 1.576,318 0.916,319 2.842,320 1.27,321 0.396,322 0.452,323 0.602,324 0.342,325 1.197,326 0.561,327 2.787,328 0.839,329 -0.066,330 -0.079,331 -0.176,332 -0.052,333 1.15,334 0.51,335 2.662,336 0.606,337 -0.322,338 -0.44,339 -0.792,340 -0.274,341 0.65,342 0.51,343 2.347,344 0.24,345 -0.694,346 -0.878,347 -1.599,348 -0.637,349 0.642,350 0.354,351 2.06,352 0.137,353 -0.759,354 -0.967,355 -2.179,356 -0.638,357 0.524,358 -0.275,359 2,360 0.09,361 -0.892,362 -1,364 -2.355,365 -0.7,366 10.771,367 0.449,368 0.846,369 0.035,370 31.25,371 1.302,372 15,373 0.625,374 16.25,375 0.677,376 17.446,377 0.727,378 27.629,379 0.789,380 26.843,381 1.118,382 6.706,383 0.279,384 4.534,385 0.189,386 0.27,387 0.046,388 0.325,389 3,390 0.723,391 1.104,392 0.517,393 1.104,394 0.645,395 0.912,396 0.716,397 0.679,398 0.557,399 0.719,400 0.462,401 0.64,402 0.826,403 0.896,404 0.704,405 1.006,406 0.717,407 0.99,408 0.782,409 1.159,410 0.777,411 1.233,412 0.894,413 1.152,414 0.811,415 0.757,416 0.727,417 0.857,418 0.867,419 0.824,420 0.932,421 0.825,422 0.95,423 0.978,424 0.788,425 1.144,426 0.735,427 0.979,428 0.703,429 1.06,430 0.669,431 0.977,432 1.426,433 1.101,434 0.978,435 0.743,436 1.588,437 0.806,438 7.5,439 0.07,440 2.667,441 2.5,442 1.964,443 1.028,444 0.489,445 0.384,446 0.345,447 0.288,448 5297,449 26118,450 1.893,451 31.4,453 9,455 1,456 1,459 1.674,460 1.704,461 3.141,462 -0.136,463 1,466 73.904,467 2.112,468 3.957,469 4.186,470 4.265,471 4.265,472 4.265,473 2.47,474 3.887,475 4.56,476 3.29,477 907.988,478 7.891,479 10668.6,480 1,481 1,482 1,483 1,484 179.525,485 1.759,486 4.458,487 0.3,488 0.006,489 0.074,490 0.068,491 0.053,492 0.029,493 0.02,494 0.015,495 0.015,496 0.014,497 0.595,498 0.33,499 1,500 1.085,501 112.967,502 -0.097,503 -0.181,504 0.004,505 -0.149,506 -0.115,507 -0.054,508 0.218,509 0.317,510 0.195,511 0.217,512 0.384,513 0.241,514 -0.082,515 -0.007,516 -0.067,517 -0.077,518 -0.037,519 -0.126,520 0.043,521 -0.266,522 0.031,523 -0.289,524 -0.046,525 -0.206,526 0.283,527 0.224,528 0.311,529 0.089,530 0.315,531 0.158,532 -0.089,533 -0.025,534 -0.159,535 -0.066,536 -0.053,537 -0.207,538 0.006,539 -0.233,540 0.216,541 -0.106,542 0.057,543 0.156,544 -0.273,545 -0.106,546 0.003,547 0.216,548 -0.356,549 0.2,550 6.106,551 5.176,552 0.5,553 17.722,554 1.07,555 1.159,556 1.756,557 3.085,558 0.675,559 3.258,560 3.611,561 3.784,562 4.025,563 4.234,564 4.143,565 4.143,566 4.043,567 4.159,568 4.127,569 5.559,570 0.696,571 361.73,572 3.258,573 4.812,574 5.638,575 6.532,576 7.385,577 8.277,578 9.139,579 10.029,580 10.897,581 11.785,582 8.6,586 1,588 2,589 4,590 2,593 6,594 12,596 1,603 2,604 1,605 35,606 13,607 1,608 25,609 36,610 14,611 10,612 3,613 3,614 1,615 2,616 2,617 1,618 1,620 1,622 11,623 3,624 1,625 1,626 1,628 1,629 1,630 3,631 11,632 9,633 1,634 10,635 1,637 3,638 3,641 1,643 2,644 2,646 2,647 1,648 3,649 24,653 1,654 2,657 1,659 4,660 8.6,662 1,664 2,665 14.083,666 7.055,667 5.306,668 1.714,670 2.283,671 1.346,672 0.933,673 5.522,674 8.876,675 3.497,676 4.094,677 4.605,678 5.152,679 5.644,680 5.727,681 5.847,682 5.901,683 6.252,684 6.479,685 0.833,686 37,687 9.561,688 4.727,689 8.647,690 15.347,691 11.664,692 3.147,693 75.528,695 117.711,696 93.535,697 51.582,698 39.149,699 47.145,700 44.88,702 93.535,703 204.004,704 96.462,705 21.766,706 18.011,707 28.429,708 75.192,709 95.113,710 41.792,711 105.94,712 7.76,713 117.711,714 145.117,715 92.025,716 39.149,717 117.711,718 92.025,720 40.217,721 71.329,722 33.571,723 39.149,724 162.591,725 98.727,726 132.684,729 125.471,730 26.534,731 59.242,732 18.011,733 164.745,734 117.711,735 143.607,736 132.684,737 0.589,738 0.332,739 0.175,740 0.106,741 16,742 9,743 0.111,744 4,745 3.367,746 188.401,747 12,748 97.284,750 18.302,751 7.241,752 4.503,753 143.607,754 5.099,755 6.521,758 -1.897,759 18.011,760 394.002,761 32,762 12.176,763 -1.047,765 37.451,766 40.577,767 0.412,768 0.772,769 0.816,770 0.831,771 0.831,772 0.831,773 4.754,774 1.106,775 5.694,776 3.877,777 4.29,778 4.779,779 3.26,780 6.553,781 4.101,782 6,783 0.482,784 7.298,785 2.84,786 4.205,787 4.771,788 3.903,789 7.766,790 3.844,791 7.338,792 0.396,793 9.011,794 0.683,795 5.994,796 6.972,797 5.441,798 10.769,799 5.638,800 8.708,801 -0.066,802 10.788,803 0.602,804 6.635,805 7.648,806 6.69,807 12.767,808 6.112,809 10.103,810 -0.322,811 12.609,812 -0.176,813 8.013,814 9.427,815 8.059,816 15.418,817 7.475,818 11.517,819 -0.694,820 14.463,821 -0.792,822 8.967,823 10.433,824 9.388,825 17.735,826 8.284,827 12.946,828 -0.759,829 16.341,830 -1.599,831 10.212,832 12.027,833 10.734,834 20.288,835 9.48,836 3.406,837 -0.892,838 18.24,839 -2.179,840 11.307,841 13.21,842 12.074,843 22.729,844 10.448,845 2.853,846 12.427,847 20.156,848 -2.355,849 12.515,850 14.713,851 13.416,852 25.255,853 11.581,854 2.643,855 8.752,856 22.085,857 4.134,858 13.673,859 15.993,860 14.758,861 27.744,862 12.623,863 2.296,864 8.178,865 24.025,866 3.841,867 14.876,868 17.448,869 16.1,870 30.264,871 13.735,872 2.061,873 6.341,874 25.974,875 3.07,876 16.063,877 18.783,878 17.441,879 32.771,880 14.811,881 1.985,882 5.819,883 27.93,884 3.02,885 17.269,886 20.214,887 18.783,888 35.29,889 15.919,890 1.327,891 5.818,892 29.892,893 2.604,894 18.472,895 21.58,896 20.124,897 37.804,898 17.013,899 5506,900 12445,901 15.315,902 23.619,903 37.47,904 37.936,905 39.112,906 37.292,907 37.111,908 47.17,909 13.207,910 110.675,911 33.292,912 5.447,913 6.473,914 6.838,915 5.36,916 5.406,917 7.134,918 5.335,919 20.134,920 5.078,921 16.103,922 1.499,923 1.517,924 1.564,925 1.492,926 1.484,927 1.887,928 0.528,929 4.427,930 1.332,931 3.969,932 3.995,933 4.018,934 3.847,935 8.513,936 3.862,937 3.861,938 3.886,939 3.869,940 3.722,941 7.999,942 3.747,943 3.352,944 3.393,945 3.554,946 3.06,947 7.999,948 3.107,949 3.303,950 3.355,951 3.345,952 3.006,953 7.429,954 3.026,955 3.271,956 3.322,957 3.144,958 2.919,959 5.1,960 2.991,961 3.125,962 3.192,963 3.028,964 2.866,965 4.925,966 2.872,967 2.785,968 2.834,969 2.834,970 2.647,971 4.58,972 2.635,973 2.704,974 2.776,975 2.565,976 2.562,977 4.314,978 2.537,979 0.184,980 0.179,981 0.291,982 0.172,983 0.136,984 4.599,985 0.165,986 4.473,987 0.153,988 7.285,989 0.497,990 4.29,991 0.123,992 3.406,993 4.134,994 12.427,995 3.078,996 1.887,997 1.868,998 1.969,999 2.026,1000 1.068,1001 2.004,1002 1.773,1003 1.748,1004 1.801,1005 1.938,1006 0.868,1007 1.905,1008 1.227,1009 1.163,1010 1.59,1011 1.558,1012 0.584,1013 1.565,1014 1.205,1015 1.148,1016 1.547,1017 1.53,1018 0.562,1019 1.518,1020 1.058,1021 0.994,1022 1.215,1023 1.404,1024 0.216,1025 1.334,1026 0.986,1027 0.946,1028 1.019,1029 1.334,1030 0.09,1031 1.267,1032 0.745,1033 0.703,1034 1.004,1035 0.93,1037 0.951,1038 0.727,1039 0.661,1040 0.897,1041 0.918,1043 0.935,1044 3.932,1045 5.273,1047 6.799,1049 8.412,1051 10.073,1052 2.796,1053 5.38,1054 38.988,1058 2.318,1059 10.05,1062 -4.856,1063 24.347,1064 73.904,1065 138.505,1066 146.505,1067 149.26,1068 149.26,1069 149.26,1070 66.949,1071 6.593,1072 73.34,1073 73.34,1074 12,1075 12.319,1076 3.807,1077 3,1078 48.21,1079 80,1080 72,1081 0.301,1082 154.084,1083 278.55,1084 367.724,1085 5385,1086 11.4,1087 17.905,1088 0.746,1089 0.55,1090 15.905,1091 13.196,1092 11.24,1093 0.45,1094 0.271,1095 6.193,1096 10.093,1097 6.038,1098 4.999,1099 10.317,1100 6.763,1101 10.889,1102 0.302,1103 0.133,1104 9.302,1105 4.793,1106 7.869,1107 0.183,1108 0.071,1109 7.351,1110 3.064,1111 6.344,1112 0.115,1113 0.036,1114 6.066,1115 1.954,1116 5.396,1117 0.079,1118 0.019,1119 4.38,1120 1.299,1121 0.462,1122 76.942,1123 0.256,1124 23.059,1125 0.856,1126 122,1127 673.366,1128 169.692,1129 581.942,1130 734.4,1131 536,1132 140,1133 476.125,1134 173.829,1135 471.12,1136 703.83,1137 435,1138 5.796}
{0 CHEMBL131976,1 2.191,2 9.111,3 3.007,4 9.041,5 81.632,6 12.138,7 0.429,8 3.709,9 3.793,10 3.608,11 3.164,12 5.201,13 3.272,14 4.247,15 4.346,16 4.185,17 3.493,18 6.517,19 3.627,20 4.341,21 4.447,22 4.112,23 3.619,24 6.088,25 3.722,26 4.511,27 4.658,28 4.163,29 3.555,30 6.246,31 3.706,32 4.493,33 4.628,34 4.355,35 3.425,36 6.646,37 3.628,38 4.334,39 4.477,40 3.984,41 3.308,42 6.414,43 3.464,44 4.227,45 4.38,46 3.854,47 3.237,48 6.299,49 3.381,50 4.045,51 4.168,52 3.799,53 3.123,54 5.841,55 3.303,56 0.594,57 1.009,58 0.55,59 2.785,60 116.803,61 1.583,62 1.524,63 1.989,64 3.857,65 4.732,66 284.249,67 2.968,68 1.267,69 1.514,70 1.759,71 5.377,72 215.842,73 3.674,74 1.873,75 1.665,76 11.189,77 6.521,78 336.814,79 4.664,80 1.73,81 1.356,82 11.876,83 5.618,84 313.746,85 4.015,86 1.689,87 1.115,88 8.719,89 4.995,90 325.806,91 3.065,92 1.583,93 1.173,94 11.864,95 4.89,96 293.042,97 3.738,98 1.259,99 1.239,100 3.996,101 4.197,102 226.201,103 2.264,104 110,105 43,106 0.404,107 0.704,108 0.806,109 0.875,110 0.875,111 0.875,112 3.34,113 0.76,114 -3.67,115 -3.64,116 -3.47,117 41.2,124 2,125 3,126 3,127 1,128 1,131 1,134 2,135 1,136 1,137 1,139 4,140 1,141 6,142 1,143 2,144 4,145 4,146 1,148 2,150 4,151 2,152 2,153 2,154 3,155 2,156 2,157 3,158 1,160 3,161 1,162 1,163 1,164 1,165 2,166 1,168 6,172 1,174 1,175 1,176 5,177 1,178 1,179 1,181 1,183 2,186 2,188 2,190 2,191 2,193 2,194 1037,195 16.322,196 16.322,197 16.322,198 16.322,199 16.322,200 14.691,201 20.855,202 9.097,203 17.119,204 13.798,205 13.798,206 13.798,207 13.798,208 13.798,209 11.135,210 25.605,211 4.33,212 15.295,213 2.896,214 1.265,215 0.714,216 0.339,217 0.339,218 0.339,219 3.988,221 1,223 1,224 1,225 493,226 4.69,228 194.778,229 1.3,230 82.476,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 67.333,241 246,242 4.601,243 4.473,244 7.285,245 4.291,246 3.406,247 4.137,248 12.427,249 3.083,250 4.499,251 4.461,252 7.124,253 4.208,254 3.335,255 4.017,256 3.825,257 11.739,258 2.99,259 4.063,260 3.575,261 6.092,262 3.749,263 2.796,264 3.322,265 1.058,266 8.751,267 2.604,268 3.908,269 3.498,270 5.965,271 3.605,272 2.658,273 3.103,274 0.98,275 8.38,276 2.445,277 3.687,278 2.922,279 5.31,280 3.227,281 2.338,282 3.031,283 6.724,284 2.107,285 3.504,286 2.61,287 5.054,288 3.035,289 2.135,290 2.787,291 6.053,292 1.784,293 2.91,294 2.163,295 4.577,296 2.47,297 1.543,298 1.995,299 4.552,300 1.385,301 2.737,302 1.894,303 4.409,304 2.237,305 1.297,306 1.754,307 3.825,308 1.167,309 2.586,310 1.605,311 3.858,312 2.08,313 1.108,314 1.594,315 2.854,316 1.064,317 2.571,318 1.29,319 3.705,320 2.022,321 1.061,322 1.532,323 2.63,324 1.001,325 1.202,326 0.564,327 2.963,328 0.841,329 -0.066,330 -0.079,331 -0.176,332 -0.052,333 1.153,334 0.51,335 2.84,336 0.607,337 -0.32,338 -0.438,339 -0.793,340 -0.273,341 0.796,342 0.51,343 2.691,344 0.346,345 -0.65,346 -0.862,347 -2,348 -0.637,349 0.642,350 0.51,351 2.354,352 0.137,353 -0.759,354 -0.966,355 -2,356 -0.641,357 0.572,358 0.51,359 2.186,360 0.132,361 -0.884,362 -1,364 -2.349,365 -0.7,366 11.695,367 0.433,368 1.3,369 0.048,370 33.5,371 1.241,372 15.5,373 0.574,374 18,375 0.667,376 21.123,377 0.782,378 31.505,379 0.927,380 33.756,381 1.25,382 7.18,383 0.266,384 5.105,385 0.189,386 0.299,387 0.086,388 0.342,389 6,390 0.726,391 0.964,392 0.514,393 0.885,394 0.751,395 0.735,396 0.438,397 0.674,398 0.472,399 0.852,400 0.443,401 0.842,402 0.756,403 0.91,404 0.709,405 1.109,406 0.74,407 1.201,408 1.146,409 1.103,410 1.015,411 1.062,412 1.144,413 1.077,414 0.822,415 0.86,416 0.748,417 0.987,418 0.958,419 0.939,420 1.123,421 0.933,422 1.06,423 0.901,424 1.118,425 1.085,426 1.046,427 1.021,428 1.006,429 0.812,430 0.946,431 0.876,432 1.468,433 1.494,434 1.08,435 1.195,436 1.409,437 1.099,438 10,439 0.157,440 4,441 2.75,442 2.502,443 1.549,444 0.652,445 0.509,446 0.493,447 0.507,448 7060,449 45216,450 1.837,451 20.6,453 3,455 1,456 3,459 1.706,460 1.62,461 3.15,462 1.165,463 1,466 74.51,467 2.191,468 3.822,469 4.374,470 4.749,471 4.749,472 4.749,473 2.476,474 4.004,475 4.732,476 3.349,477 1175.55,478 8.241,479 15064.3,481 1,483 1,484 172.974,485 1.834,486 4.592,487 0.357,488 0.007,489 0.093,490 0.064,491 0.058,492 0.035,493 0.02,494 0.016,495 0.017,496 0.017,497 0.685,498 0.5,499 1,500 1.059,501 132.09,502 -0.1,503 -0.085,504 -0.038,505 0.025,506 -0.131,507 0.082,508 0.438,509 0.371,510 0.174,511 0.104,512 0.421,513 -0.019,514 -0.043,515 -0.096,516 -0.037,517 -0.196,518 -0.033,519 -0.25,520 -0.266,521 -0.262,522 -0.075,523 -0.13,524 -0.259,525 0.001,526 0.156,527 0.053,528 0.261,529 -0.057,530 0.033,531 0.031,532 -0.134,533 -0.003,534 -0.152,535 0.038,536 -0.109,537 -0.068,538 -0.073,539 -0.136,540 -0.001,541 0.149,542 0.035,543 0.26,544 -0.474,545 -0.433,546 -0.234,547 -0.201,548 -0.418,549 -0.157,550 6.328,551 5.103,552 0.444,553 20.719,554 1.114,555 1.19,556 2.443,557 5.97,558 0.683,559 3.367,560 3.784,561 3.912,562 4.127,563 4.394,564 4.344,565 4.394,566 4.263,567 4.369,568 4.419,569 5.894,570 0.743,571 412.7,572 3.367,573 4.963,574 5.79,575 6.703,576 7.563,577 8.468,578 9.34,579 10.239,580 11.118,581 12.014,582 11.8,586 2,588 2,589 4,590 2,593 6,594 12,595 1,596 1,604 1,605 34,606 14,607 1,608 28,609 35,610 14,611 10,612 3,613 3,614 2,615 2,616 2,617 1,618 2,620 2,622 12,623 2,624 2,625 2,626 2,629 1,630 6,631 7,632 12,633 3,634 13,635 1,637 4,638 2,641 1,643 2,644 2,647 1,648 6,649 27,650 1,653 1,657 2,659 7,660 5.9,662 2,665 16.667,666 6.15,667 5.583,668 1.654,670 2.37,671 1.347,672 0.962,673 5.576,674 9.209,675 3.611,676 4.234,677 4.718,678 5.251,679 5.792,680 5.926,681 6.162,682 6.116,683 6.452,684 6.701,685 0.833,686 43,687 11.828,688 6.929,689 9.294,690 16.472,691 13.002,692 3.794,693 102.444,695 47.084,696 80.118,697 84.479,698 39.149,699 50.29,700 89.761,702 80.118,703 136.523,704 174.24,706 50.908,707 28.429,708 105.041,709 113.878,710 41.792,711 35.313,712 15.519,713 47.084,714 164.597,715 140.051,716 39.149,717 47.084,718 140.051,720 80.874,721 50.152,722 33.571,723 39.149,724 136.845,725 134.769,726 119.266,729 62.603,730 27.122,731 37.476,732 18.011,733 245.667,734 47.084,735 224.53,736 119.266,737 0.617,738 0.324,739 0.156,740 0.102,741 20,742 12,743 0.086,744 3,745 3.497,746 226.763,747 12,748 118.872,750 20.788,751 7.241,752 5.015,753 224.53,754 2.106,755 6.182,758 -6.089,759 50.908,760 390.88,761 36,762 23.273,763 -2.698,765 37.88,766 40.47,767 0.431,768 0.751,769 0.86,770 0.933,771 0.933,772 0.933,773 4.913,774 1.297,775 5.905,776 4.552,777 4.466,778 4.92,779 3.803,780 6.812,781 4.289,782 6.197,783 1.108,784 7.552,785 3.825,786 4.575,787 5.037,788 4.586,789 8.186,790 4.197,791 7.561,792 1.061,793 9.311,794 2.854,795 6.26,796 7.126,797 6.121,798 11.153,799 5.905,800 8.953,801 -0.066,802 11.134,803 2.63,804 7.04,805 7.893,806 7.382,807 13.233,808 6.491,809 10.368,810 -0.32,811 12.995,812 -0.176,813 8.379,814 9.607,815 8.751,816 15.867,817 7.815,818 11.8,819 -0.65,820 14.882,821 -0.793,822 9.411,823 10.669,824 10.082,825 18.206,826 8.687,827 13.247,828 -0.759,829 16.789,830 -2,831 10.648,832 12.227,833 11.427,834 20.743,835 9.868,836 3.406,837 -0.884,838 18.71,839 -2,840 11.781,841 13.444,842 12.767,843 23.18,844 10.866,845 3.335,846 12.427,847 20.642,848 -2.349,849 12.99,850 14.926,851 14.11,852 25.689,853 11.994,854 2.796,855 11.739,856 22.583,857 4.137,858 14.166,859 16.227,860 15.451,861 28.164,862 13.05,863 2.658,864 8.751,865 24.53,866 4.017,867 15.371,868 17.672,869 16.793,870 30.667,871 14.16,872 2.338,873 8.38,874 26.483,875 3.322,876 16.565,877 19.021,878 18.134,879 33.158,880 15.242,881 2.135,882 6.724,883 28.44,884 3.103,885 17.772,886 20.448,887 19.476,888 35.659,889 16.348,890 1.543,891 6.053,892 30.401,893 3.031,894 18.976,895 21.823,896 20.818,897 38.157,898 17.444,899 7367,900 18769,901 16.414,902 23.222,903 44.415,904 44.139,905 45.329,906 43.775,907 43.352,908 54.541,909 19.377,910 135.869,911 39.26,912 5.451,913 6.473,914 6.57,915 5.361,916 5.406,917 7.137,918 5.335,919 20.135,920 5.083,921 20.787,922 1.586,923 1.576,924 1.619,925 1.563,926 1.548,927 1.948,928 0.692,929 4.852,930 1.402,931 3.996,932 4.022,933 4.023,934 3.898,935 8.517,936 3.908,937 3.881,938 3.911,939 3.924,940 3.733,941 8.509,942 3.761,943 3.436,944 3.475,945 3.561,946 3.155,947 7.999,948 3.206,949 3.382,950 3.426,951 3.438,952 3.089,953 7.999,954 3.143,955 3.276,956 3.326,957 3.37,958 2.918,959 7.999,960 2.991,961 3.098,962 3.136,963 3.143,964 2.816,965 7.999,966 2.862,967 2.735,968 2.804,969 2.864,970 2.494,971 7.438,972 2.52,973 2.578,974 2.655,975 2.536,976 2.339,977 7.429,978 2.355,979 0.164,980 0.16,981 0.26,982 0.153,983 0.122,984 4.601,985 0.148,986 4.473,987 0.137,988 7.285,989 0.444,990 4.291,991 0.11,992 3.406,993 4.137,994 12.427,995 3.083,996 1.929,997 1.909,998 2,999 2.045,1000 1.127,1001 2.028,1002 1.781,1003 1.754,1004 1.804,1005 1.951,1006 0.871,1007 1.912,1008 1.26,1009 1.227,1010 1.406,1011 1.589,1012 0.297,1013 1.531,1014 1.18,1015 1.143,1016 1.261,1017 1.516,1018 0.277,1019 1.428,1020 0.986,1021 0.947,1022 1.051,1023 1.392,1025 1.274,1026 0.897,1027 0.869,1028 1.018,1029 1.246,1031 1.176,1032 0.669,1033 0.587,1034 0.903,1035 0.919,1037 0.93,1038 0.477,1039 0.42,1040 0.642,1041 0.791,1043 0.783,1044 4.043,1045 5.434,1047 6.987,1049 8.617,1051 10.291,1053 5.284,1054 77.602,1055 4.932,1058 1.828,1062 -9.975,1063 25.277,1064 74.51,1065 129.954,1066 148.709,1067 161.464,1068 161.464,1069 161.464,1070 120.514,1071 6.838,1072 97.97,1073 97.97,1074 12,1075 12.542,1076 3.907,1077 3.17,1078 58.097,1079 97,1080 80,1081 0.302,1082 157.549,1083 296.33,1084 376.179,1085 7248,1086 20.6,1087 20.569,1088 0.762,1089 0.5,1090 16.069,1091 13.499,1092 12.286,1093 0.439,1094 0.253,1095 6.512,1096 11.047,1097 6.492,1098 5.262,1099 10.152,1100 7.098,1101 13.408,1102 0.312,1103 0.124,1104 9.863,1105 5.352,1106 8.723,1107 0.178,1108 0.066,1109 7.216,1110 3.257,1111 6.71,1112 0.11,1113 0.034,1114 6.043,1115 2.08,1116 6.023,1117 0.075,1118 0.018,1119 4.333,1120 1.407,1121 0.463,1122 84.104,1123 0.247,1124 25.381,1125 0.86,1126 142,1127 927.276,1128 204.193,1129 754.065,1130 927.84,1131 686,1132 163,1133 591.516,1134 204.484,1135 567.476,1136 867.63,1137 527,1138 5.523}
{0 CHEMBL132257,1 2.063,2 11.516,3 4.541,4 20.624,5 100.402,6 10.192,7 0.375,8 3.958,9 4.06,10 3.731,11 3.417,12 5.297,13 3.475,14 4.532,15 4.678,16 4.266,17 3.753,18 6.559,19 3.818,20 4.68,21 4.861,22 4.215,23 3.875,24 6.191,25 3.912,26 4.791,27 4.978,28 4.276,29 3.821,30 6.36,31 3.91,32 4.756,33 4.918,34 4.46,35 3.75,36 6.724,37 3.873,38 4.659,39 4.826,40 4.166,41 3.725,42 6.472,43 3.795,44 4.621,45 4.782,46 4.123,47 3.733,48 6.439,49 3.794,50 4.645,51 4.83,52 4.102,53 3.693,54 6.201,55 3.771,56 0.505,57 1.117,58 3.851,59 4.131,60 90.883,61 3.719,62 1.694,63 2.188,64 13.643,65 6.777,66 292.532,67 6.722,68 1.335,69 1.702,70 18.114,71 8.137,72 192.059,73 9.233,74 1.828,75 1.889,76 24.718,77 8.758,78 296.788,79 8.543,80 2.008,81 1.683,82 23.67,83 7.645,84 298.163,85 7.222,86 1.854,87 1.502,88 19.983,89 7.567,90 317.519,91 7.051,92 1.643,93 1.693,94 17.65,95 7.685,96 292.794,97 7.335,98 1.702,99 1.839,100 18.708,101 8.213,102 284.631,103 7.173,104 114,105 47,106 0.357,107 0.689,108 0.816,109 0.879,110 0.879,111 0.879,112 3.472,113 0.855,114 -4.57,115 -4.5,116 -4.23,117 39.1,118 1,119 2,121 1,124 2,125 3,126 3,127 1,128 1,131 1,134 2,139 6,140 1,141 6,143 2,144 5,145 5,148 2,150 5,151 2,153 2,154 4,155 2,156 3,157 4,160 4,161 1,162 1,163 1,165 5,168 7,172 1,174 5,175 1,176 5,178 1,179 2,180 4,183 2,185 1,186 4,188 2,189 1,191 2,192 1,193 4,194 1700,195 19.314,196 19.314,197 19.314,198 19.314,199 19.314,200 17.735,201 23.969,202 11.229,203 20.171,204 15.757,205 15.757,206 15.757,207 15.757,208 15.757,209 13.109,210 28.945,211 5.329,212 17.324,213 3.46,214 1.539,215 0.805,216 0.441,217 0.441,218 0.441,219 4.126,221 1,223 1,224 1,225 716,226 5.099,228 231.191,229 1.727,230 86.154,232 1,233 0.83,234 1,235 1,236 0.5,237 1,238 1,239 0.9,240 75.333,241 357,242 4.601,243 4.473,244 7.285,245 4.291,246 3.406,247 4.137,248 12.427,249 3.084,250 4.501,251 4.461,252 7.124,253 4.21,254 3.336,255 4.021,256 3.825,257 11.741,258 2.998,259 4.085,260 3.581,261 6.105,262 3.778,263 2.82,264 3.34,265 1.058,266 8.865,267 2.637,268 3.916,269 3.548,270 6.038,271 3.619,272 2.677,273 3.111,274 1.058,275 8.556,276 2.45,277 3.695,278 2.922,279 5.342,280 3.252,281 2.356,282 3.032,283 6.867,284 2.128,285 3.526,286 2.615,287 5.06,288 3.048,289 2.164,290 2.808,291 6.08,292 1.792,293 2.956,294 2.164,295 4.6,296 2.685,297 1.718,298 2.049,299 4.665,300 1.656,301 2.758,302 1.9,303 4.41,304 2.461,305 1.52,306 1.775,307 3.827,308 1.39,309 2.711,310 1.784,311 4.141,312 2.237,313 1.297,314 1.745,315 3.7,316 1.167,317 2.571,318 1.604,319 3.845,320 2.167,321 1.184,322 1.593,323 2.84,324 1.147,325 2.521,326 1.29,327 3.487,328 2.023,329 1.101,330 1.474,331 2.646,332 1.002,333 1.737,334 1.041,335 2.963,336 1.575,337 0.571,338 0.634,339 0.956,340 0.569,341 1.202,342 0.564,343 2.843,344 0.841,345 -0.066,346 -0.079,347 -0.176,348 -0.052,349 1.153,350 0.51,351 2.735,352 0.613,353 -0.319,354 -0.411,355 -0.63,356 -0.272,357 0.804,358 0.51,359 2.665,360 0.604,361 -0.389,362 -0.445,364 -0.795,365 -0.384,366 13.695,367 0.442,368 1.262,369 0.041,370 35.75,371 1.153,372 15.5,373 0.5,374 20.25,375 0.653,376 28.304,377 0.913,378 36.705,379 0.798,380 36.729,381 1.185,382 7.318,383 0.236,384 7.005,385 0.226,386 0.263,387 0.073,388 0.292,389 6,390 0.628,391 1.039,392 0.528,393 1.058,394 0.637,395 0.92,396 0.387,397 0.709,398 0.517,399 0.945,400 0.385,401 0.929,402 0.602,403 0.845,404 0.569,405 1.002,406 0.582,407 0.95,408 1.033,409 1.047,410 0.823,411 0.953,412 1.041,413 0.86,414 0.78,415 0.837,416 0.688,417 0.935,418 0.909,419 0.844,420 0.945,421 0.887,422 0.841,423 0.92,424 1.006,425 0.97,426 0.842,427 1.04,428 0.822,429 1.015,430 0.808,431 1.029,432 1.265,433 1.366,434 0.944,435 1.139,436 1.233,437 1.08,438 10,439 0.231,440 4.222,441 2.875,442 2.582,443 1.632,444 0.835,445 0.677,446 0.625,447 0.602,448 10672,449 54204,450 1.857,451 32.6,452 5,453 5,455 1,456 2,458 2,459 1.743,460 1.661,461 3.417,462 0.385,466 94.912,467 2.063,468 3.985,469 4.719,470 5.083,471 5.083,472 5.083,473 2.889,474 4.454,475 4.924,476 3.618,477 1682.33,478 8.636,479 23939.8,484 254.084,485 1.816,486 4.812,487 0.313,488 0.007,489 0.09,490 0.06,491 0.053,492 0.032,493 0.02,494 0.016,495 0.016,496 0.015,497 0.62,498 0.17,499 0.88,500 1.652,501 160.137,502 -0.058,503 -0.105,504 -0.007,505 -0.042,506 -0.08,507 -0.001,508 0.448,509 0.309,510 0.215,511 0.039,512 0.436,513 0.001,514 0.059,515 -0.098,516 0.209,517 -0.057,518 0.064,519 0.099,520 -0.161,521 -0.211,522 0.075,523 -0.024,524 -0.153,525 0.139,526 0.215,527 0.108,528 0.25,529 -0.006,530 0.109,531 0.061,532 0.003,533 0.047,534 -0.009,535 0.038,536 -0.022,537 -0.007,538 0.024,539 -0.144,540 -0.017,541 -0.052,542 0.087,543 -0.048,544 -0.266,545 -0.288,546 -0.084,547 -0.139,548 -0.241,549 -0.084,550 6.322,551 5.33,552 0.387,553 30.102,554 1.074,555 1.177,556 3.345,557 11.189,558 0.658,559 3.497,560 3.871,561 4.007,562 4.22,563 4.477,564 4.466,565 4.554,566 4.489,567 4.615,568 4.663,569 6.786,570 0.682,571 468.82,572 3.497,573 5.069,574 5.889,575 6.788,576 7.642,577 8.539,578 9.408,579 10.303,580 11.18,581 12.074,582 8.7,586 2,588 2,589 4,590 2,593 6,594 12,596 2,604 1,605 46,606 14,607 1,608 32,609 47,610 18,611 10,612 3,613 3,614 2,615 2,616 2,617 1,618 3,620 2,621 2,622 12,623 6,624 2,625 2,626 2,629 1,630 6,631 15,632 12,633 2,634 13,635 1,637 4,638 2,641 1,643 2,644 2,646 1,647 1,648 6,649 31,652 3,653 2,657 2,659 7,660 4.3,662 2,665 18.667,666 8.567,667 6.667,668 2.758,670 2.352,671 1.331,672 0.944,673 7.775,674 9.461,675 3.714,676 4.29,677 4.771,678 5.292,679 5.826,680 5.982,681 6.239,682 6.254,683 6.584,684 6.825,685 0.875,686 48,687 13.356,688 7.455,689 8.966,690 19.761,691 15.531,692 3.466,693 107.444,695 153.024,696 96.118,697 69.593,698 39.149,699 50.29,700 89.761,702 96.118,703 242.463,704 159.353,705 8.825,706 43.196,707 28.429,708 105.041,709 113.878,710 41.792,711 141.253,712 15.519,713 153.024,714 165.71,715 140.051,716 39.149,717 129.482,718 163.593,720 81.988,721 50.152,722 33.571,723 39.149,724 242.785,725 119.882,726 135.266,729 168.543,730 34.297,731 46.301,732 36.022,733 212.77,734 153.024,735 209.643,736 135.266,737 0.597,738 0.317,739 0.155,740 0.098,741 20,742 12,743 0.128,744 6,745 3.882,746 269.09,747 12,748 144.07,750 24.747,751 9.74,752 6.732,753 209.643,754 2.478,755 6.286,758 -5.714,759 36.022,760 497.934,761 40,762 24.485,763 -2.262,765 49.414,766 54.131,767 0.374,768 0.721,769 0.854,770 0.92,771 0.92,772 0.92,773 4.997,774 1.52,775 5.974,776 4.665,777 4.554,778 4.977,779 3.81,780 6.86,781 4.386,782 6.253,783 1.297,784 7.602,785 3.827,786 4.575,787 5.037,788 4.586,789 8.199,790 4.197,791 7.602,792 1.184,793 9.348,794 3.7,795 6.312,796 7.152,797 6.122,798 11.177,799 5.968,800 8.983,801 1.101,802 11.161,803 2.84,804 7.048,805 7.9,806 7.382,807 13.247,808 6.505,809 10.392,810 0.571,811 13.017,812 2.646,813 8.408,814 9.621,815 8.752,816 15.882,817 7.856,818 11.821,819 -0.066,820 14.901,821 0.956,822 9.422,823 10.678,824 10.082,825 18.217,826 8.707,827 13.264,828 -0.319,829 16.805,830 -0.176,831 10.666,832 12.237,833 11.427,834 20.753,835 9.899,836 3.406,837 -0.389,838 18.724,839 -0.63,840 11.793,841 13.453,842 12.767,843 23.187,844 10.89,845 3.336,846 12.427,847 20.655,848 -0.795,849 13.003,850 14.934,851 14.11,852 25.695,853 12.022,854 2.82,855 11.741,856 22.594,857 4.137,858 14.176,859 16.236,860 15.451,861 28.169,862 13.075,863 2.677,864 8.865,865 24.54,866 4.021,867 15.381,868 17.681,869 16.793,870 30.671,871 14.187,872 2.356,873 8.556,874 26.492,875 3.34,876 16.574,877 19.03,878 18.134,879 33.161,880 15.269,881 2.164,882 6.867,883 28.448,884 3.111,885 17.78,886 20.456,887 19.476,888 35.662,889 16.375,890 1.718,891 6.08,892 30.408,893 3.032,894 18.983,895 21.831,896 20.818,897 38.16,898 17.471,899 11084,900 25327,901 19.186,902 30.267,903 49.153,904 48.981,905 50.3,906 48.793,907 48.3,908 59.437,909 19.534,910 146.338,911 44.041,912 5.486,913 6.473,914 7.195,915 5.361,916 5.406,917 7.137,918 5.335,919 20.135,920 5.084,921 23.056,922 1.536,923 1.531,924 1.572,925 1.525,926 1.509,927 1.857,928 0.61,929 4.573,930 1.376,931 4.002,932 4.029,933 4.025,934 3.902,935 8.517,936 3.912,937 3.882,938 3.913,939 3.928,940 3.733,941 8.509,942 3.761,943 3.694,944 3.766,945 3.566,946 3.538,947 7.999,948 3.524,949 3.427,950 3.476,951 3.55,952 3.177,953 7.999,954 3.211,955 3.382,956 3.428,957 3.408,958 3.09,959 7.999,960 3.144,961 3.277,962 3.328,963 3.342,964 2.928,965 7.999,966 2.991,967 3.168,968 3.228,969 3.151,970 2.91,971 7.431,972 2.935,973 2.975,974 3.016,975 2.904,976 2.772,977 7.427,978 2.782,979 0.144,980 0.14,981 0.228,982 0.134,983 0.106,984 4.601,985 0.129,986 4.473,987 0.12,988 7.285,989 0.388,990 4.291,991 0.096,992 3.406,993 4.137,994 12.427,995 3.084,996 1.932,997 1.911,998 2.011,999 2.05,1000 1.257,1001 2.034,1002 1.782,1003 1.755,1004 1.959,1005 1.956,1006 1.128,1007 1.928,1008 1.693,1009 1.623,1010 1.803,1011 1.88,1012 0.871,1013 1.897,1014 1.321,1015 1.263,1016 1.603,1017 1.602,1018 0.753,1019 1.596,1020 1.18,1021 1.143,1022 1.281,1023 1.516,1024 0.326,1025 1.428,1026 1.081,1027 1.02,1028 1.251,1029 1.399,1030 0.288,1031 1.329,1032 0.986,1033 0.947,1034 1.066,1035 1.347,1036 0.195,1037 1.272,1038 0.857,1039 0.831,1040 1.019,1041 1.152,1043 1.113,1044 4.174,1045 5.533,1047 7.064,1049 8.677,1051 10.34,1052 1.847,1053 5.343,1054 79.05,1057 1.532,1058 4.347,1062 -9.947,1063 31.384,1064 94.912,1065 183.29,1066 217.064,1067 233.819,1068 233.819,1069 233.819,1070 152.713,1071 7.109,1072 83.98,1073 83.98,1074 12,1075 12.604,1076 3.907,1077 3.17,1078 72.603,1079 124,1080 156,1081 0.284,1082 195.918,1083 365.53,1084 469.801,1085 10514,1086 15.2,1087 23.397,1088 0.755,1089 0.534,1090 18.897,1091 16.543,1092 14.324,1093 0.448,1094 0.285,1095 8.524,1096 13.059,1097 8.43,1098 6.941,1099 12.19,1100 9.119,1101 14.637,1102 0.311,1103 0.14,1104 11.092,1105 6.598,1106 9.848,1107 0.182,1108 0.075,1109 8.341,1110 4.051,1111 7.583,1112 0.113,1113 0.038,1114 6.916,1115 2.55,1116 6.594,1117 0.076,1118 0.019,1119 4.884,1120 1.687,1121 0.441,1122 96.497,1123 0.228,1124 28.828,1125 0.795,1126 158,1127 948.297,1128 220.887,1129 773.356,1130 957.76,1131 706,1132 180,1133 614.361,1134 222.649,1135 589.868,1136 902.07,1137 549,1138 5}
{0 CHEMBL133044,1 2.161,2 7.571,3 3.536,4 12.5,5 71.221,6 12.449,7 0.545,8 3.465,9 3.541,10 3.418,11 3.034,12 4.877,13 3.087,14 3.965,15 4.063,16 3.919,17 3.375,18 5.986,19 3.431,20 4.097,21 4.208,22 3.89,23 3.457,24 5.708,25 3.478,26 4.118,27 4.253,28 4.068,29 3.299,30 5.875,31 3.39,32 4.098,33 4.241,34 3.752,35 3.111,36 6.196,37 3.208,38 3.691,39 3.803,40 3.55,41 3.019,42 5.41,43 3.068,44 3.673,45 3.815,46 3.526,47 3.006,48 5.287,49 3.047,50 3.705,51 3.841,52 3.621,53 2.837,54 5.445,55 2.908,56 0.336,57 0.617,58 0.55,59 2.011,60 50.544,61 1.397,62 0.889,63 1.217,64 2.028,65 3.511,66 142.664,67 2.234,68 0.765,69 0.912,70 8.948,71 4.328,72 91.66,73 3.32,74 0.892,75 0.993,76 11.041,77 4.567,78 121.361,79 3.901,80 1.222,81 0.849,82 13.57,83 4.429,84 194.891,85 2.691,86 0.648,87 0.611,88 4.522,89 3.078,90 95.697,91 2.129,92 0.542,93 0.691,94 4.133,95 2.911,96 68.307,97 2.313,98 0.771,99 0.663,100 8.277,101 3.336,102 113.989,103 2.008,104 38,105 32,106 0.421,107 0.731,108 0.815,109 0.835,110 0.835,111 0.835,112 3.103,113 0.842,114 -4.3,115 -4.24,116 -4,117 44.4,124 1,125 3,126 1,127 3,128 1,130 1,134 1,140 1,141 3,143 1,144 3,145 7,153 2,154 2,155 2,156 3,157 5,168 7,174 3,183 6,194 541,195 13.195,196 13.195,197 13.195,198 13.195,199 13.195,200 11.59,201 15.177,202 7.656,203 13.879,204 10.872,205 10.872,206 10.872,207 10.872,208 10.872,209 8.423,210 20.025,211 3.651,212 12.112,213 2.594,214 1.004,215 0.574,216 0.472,217 0.472,218 0.472,219 3.752,220 2,223 1,224 1,225 323,226 3.536,228 144.296,229 1.156,230 46.023,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 49.667,241 159,242 4.581,243 4.472,244 7.279,245 4.281,246 3.397,247 4.085,248 12.393,249 3.073,250 4.175,251 3.572,252 6.084,253 3.751,254 2.82,255 3.809,256 1.058,257 8.7,258 2.582,259 3.877,260 3.131,261 5.652,262 3.528,263 2.604,264 3.066,266 7.823,267 2.334,268 3.368,269 2.623,270 4.945,271 2.93,272 2.028,273 2.63,275 5.765,276 1.769,277 3.232,278 2.391,279 4.618,280 2.707,281 1.879,282 2.481,283 4.963,284 1.535,285 3.126,286 2.225,287 4.551,288 2.611,289 1.672,290 2.35,291 4.372,292 1.441,293 2.605,294 1.359,295 3.798,296 2.075,297 1.175,298 1.632,299 2.837,300 1.044,301 2.534,302 1.273,303 3.568,304 1.979,305 1.014,306 1.49,307 2.524,308 0.969,309 1.192,310 0.511,311 2.844,312 0.808,313 -0.171,314 -0.216,315 -0.478,316 -0.163,317 1,318 0.51,319 2.656,320 0.473,321 -0.347,322 -0.445,323 -0.891,324 -0.229,325 0.882,326 0.51,327 2.382,328 0.407,329 -0.521,330 -0.632,331 -1.287,332 -0.314,333 0.699,334 0.253,335 2.157,336 0.205,337 -0.614,338 -0.798,339 -1.43,340 -0.539,341 0.589,342 0.173,343 2,344 0.058,345 -0.885,346 -1,347 -2.148,348 -0.7,349 0.121,350 -0.147,351 2,352 -0.3,353 -1,354 -1,355 -3,356 -0.7,358 -0.64,359 2,360 -0.3,361 -1,362 -1.274,364 -3,365 -0.827,366 9.819,367 0.468,368 0.816,369 0.039,370 28,371 1.333,372 14,373 0.667,374 14,375 0.667,376 14.519,377 0.691,378 23.181,379 0.859,380 21.956,381 1.046,382 5.799,383 0.276,384 3.971,385 0.189,386 0.267,387 0.051,388 0.306,389 3,390 0.663,391 0.967,392 0.479,393 0.785,394 0.658,395 0.723,396 0.53,397 0.701,398 0.59,399 0.693,400 0.462,401 0.786,402 0.789,403 0.796,404 1.191,405 1.129,406 0.745,407 1.254,408 0.908,409 1.125,410 0.569,411 1.018,412 0.96,413 0.925,414 1.297,415 0.722,416 1.346,417 0.758,418 1.402,419 0.973,420 1.001,421 0.942,422 0.837,423 0.942,424 1.05,425 0.979,426 0.998,427 1.165,428 0.793,429 0.855,430 0.844,431 0.858,432 1.757,433 1.522,434 1.711,435 1.316,436 1.758,437 1.233,438 6.5,440 2.444,441 2.438,442 1.373,443 0.736,444 0.368,445 0.321,446 0.313,447 0.078,448 3726,449 21367,450 1.904,451 22.2,453 3,455 2,456 1,459 1.635,460 1.714,461 2.938,462 -0.104,465 1,466 58.343,467 2.161,468 3.75,469 4.18,470 4.282,471 4.282,472 4.282,473 2.201,474 3.654,475 4.37,476 3.111,477 653.244,478 7.5,479 6990.2,480 1,481 1,483 1,484 128.382,485 1.772,486 4.266,487 0.295,489 0.076,490 0.079,491 0.044,492 0.029,493 0.018,494 0.016,495 0.018,496 0.007,497 0.584,498 0.5,499 1,500 0.935,501 93.865,502 -0.073,503 -0.115,504 -0.012,505 -0.031,506 -0.101,507 0.003,508 0.316,509 0.327,510 0.023,511 0.149,512 0.381,513 -0.024,514 -0.067,515 -0.039,516 -0.283,517 -0.247,518 -0.062,519 -0.331,520 -0.015,521 -0.303,522 0.347,523 -0.094,524 -0.04,525 0.103,526 -0.042,527 0.403,528 -0.395,529 0.262,530 -0.034,531 -0.026,532 -0.115,533 -0.066,534 0.008,535 -0.009,536 -0.139,537 -0.008,538 -0.18,539 -0.298,540 0.1,541 0.07,542 -0.062,543 0.18,544 -0.494,545 -0.284,546 -0.353,547 -0.18,548 -0.533,549 -0.228,550 6.012,551 4.927,552 0.571,553 13.56,554 1.087,555 1.158,556 3.07,557 9.424,558 0.742,559 3.135,560 3.497,561 3.638,562 3.892,563 3.989,564 3.892,565 3.829,566 3.829,567 3.912,568 3.689,569 5.028,570 0.766,571 336.11,572 3.135,573 4.691,574 5.509,575 6.405,576 7.244,577 8.138,578 8.984,579 9.876,580 10.728,581 11.617,582 11.1,586 1,588 2,589 5,590 2,593 5,594 12,596 1,604 2,605 27,606 13,607 1,608 22,609 28,610 12,611 10,612 3,613 3,614 1,615 2,616 2,617 2,618 1,620 1,622 11,623 1,624 1,625 1,626 1,629 1,630 3,631 6,632 7,633 1,634 9,635 2,637 3,638 1,641 1,643 2,644 2,647 2,648 3,649 21,653 1,657 1,659 5,660 3.7,662 1,665 12.25,666 4.948,667 4.472,668 1.366,670 2.272,671 1.36,672 0.966,673 4.474,674 8.575,675 3.401,676 4.007,677 4.494,678 5.042,679 5.466,680 5.479,681 5.561,682 5.758,683 6.067,684 6.204,685 0.8,686 31,687 8.353,688 4.218,689 8.784,690 13.29,691 10.384,692 3.284,693 68.972,695 58.856,696 74.259,697 51.582,698 78.297,699 25.145,700 44.88,702 74.259,703 162.298,704 96.462,706 18.011,707 28.429,708 86.963,709 78.247,711 35.313,712 86.057,713 58.856,714 125.841,715 70.025,716 78.297,717 58.856,718 70.025,720 46.193,721 46.077,722 111.868,724 103.736,725 76.727,726 152.556,729 66.615,730 20.405,731 46.095,732 18.011,733 181.894,734 58.856,735 121.607,736 152.556,737 0.597,738 0.321,739 0.176,740 0.09,741 15,742 8,743 0.071,744 2,745 3.141,746 155.82,747 12,748 81.484,750 15.709,751 5.981,752 3.914,753 121.607,754 5.628,755 6.531,758 -1.38,759 18.011,760 333.019,761 29,762 11.927,763 -1.013,765 29.353,766 31.272,767 0.454,768 0.789,769 0.879,770 0.901,771 0.901,772 0.901,773 4.654,774 1.014,775 5.572,776 2.837,777 4.174,778 4.691,779 3.139,780 6.431,781 3.974,782 5.907,783 -0.171,784 7.175,785 2.524,786 4.111,787 4.649,788 3.903,789 7.67,790 3.688,791 7.242,792 -0.347,793 8.893,794 -0.478,795 5.878,796 6.874,797 5.431,798 10.678,799 5.501,800 8.608,801 -0.521,802 10.68,803 -0.891,804 6.538,805 7.514,806 6.69,807 12.708,808 5.96,809 10.001,810 -0.614,811 12.512,812 -1.287,813 7.916,814 9.322,815 8.059,816 15.362,817 7.344,818 11.415,819 -0.885,820 14.378,821 -1.43,822 8.887,823 10.301,824 9.388,825 17.694,826 8.15,827 12.845,828 -1,829 16.269,830 -2.148,831 10.136,832 11.915,833 10.734,834 20.249,835 9.36,836 3.397,837 -1,838 18.179,839 -3,840 11.241,841 13.077,842 12.074,843 22.694,844 10.328,845 2.82,846 12.393,847 20.104,848 -3,849 12.452,850 14.589,851 13.416,852 25.22,853 11.47,854 2.604,855 8.7,856 22.041,857 4.085,858 13.615,859 15.851,860 14.758,861 27.709,862 12.514,863 2.028,864 7.823,865 23.988,866 3.809,867 14.819,868 17.309,869 16.1,870 30.228,871 13.632,872 1.879,873 5.765,874 25.942,875 3.066,876 16.009,877 18.628,878 17.441,879 32.733,880 14.712,881 1.672,882 4.963,883 27.902,884 2.63,885 17.216,886 20.056,887 18.783,888 35.25,889 15.824,890 1.175,891 4.372,892 29.866,893 2.481,894 18.419,895 21.406,896 20.124,897 37.762,898 16.923,899 3859,900 9348,901 13.523,902 20.046,903 33.907,904 33.705,905 34.445,906 33.543,907 33.177,908 43.087,909 9.767,910 98.754,911 29.492,912 5.425,913 6.472,914 6.957,915 5.351,916 5.397,917 7.085,918 5.335,919 20.097,920 5.073,921 13.396,922 1.541,923 1.532,924 1.566,925 1.525,926 1.508,927 1.958,928 0.444,929 4.489,930 1.341,931 3.959,932 3.989,933 4.092,934 3.871,935 8.513,936 3.87,937 3.85,938 3.879,939 3.889,940 3.719,941 7.999,942 3.743,943 3.325,944 3.361,945 3.582,946 3.028,947 7.999,948 3.08,949 3.245,950 3.304,951 3.384,952 2.888,953 7.429,954 2.966,955 2.901,956 2.918,957 3.264,958 2.849,959 5.025,960 2.815,961 2.823,962 2.866,963 2.959,964 2.685,965 4.949,966 2.689,967 2.56,968 2.634,969 2.475,970 2.301,971 4.632,972 2.325,973 2.25,974 2.333,975 2.351,976 1.882,977 4.209,978 1.965,979 0.208,980 0.203,981 0.331,982 0.195,983 0.154,984 4.581,985 0.186,986 4.472,987 0.174,988 7.279,989 0.563,990 4.281,991 0.14,992 3.397,993 4.085,994 12.393,995 3.073,996 1.887,997 1.867,998 1.937,999 2.014,1000 1.061,1001 1.991,1002 1.776,1003 1.746,1004 1.825,1005 1.914,1006 0.87,1007 1.903,1008 1.138,1009 1.097,1010 1.257,1011 1.449,1012 0.232,1013 1.385,1014 0.993,1015 0.945,1016 1.042,1017 1.396,1018 0.105,1019 1.289,1020 0.849,1021 0.827,1022 1,1023 0.969,1024 0.028,1025 1.004,1026 0.781,1027 0.739,1028 0.991,1029 0.962,1031 0.984,1032 0.486,1033 0.415,1034 0.803,1035 0.785,1037 0.794,1038 0.056,1040 0.369,1041 0.477,1043 0.457,1044 3.807,1045 5.153,1047 6.678,1049 8.289,1051 9.945,1053 11.486,1054 38.29,1058 2.265,1062 -4.762,1063 20.691,1064 58.343,1065 101.263,1066 112.872,1067 115.627,1068 115.627,1069 115.627,1070 56.547,1071 6.303,1072 54.88,1073 54.88,1074 12,1075 12.154,1076 3.807,1077 3,1078 39.126,1079 63,1080 51,1081 0.311,1082 135.239,1083 241.58,1084 321.744,1085 3758,1086 18.5,1087 15.621,1088 0.744,1089 0.552,1090 14.121,1091 11.591,1092 9.77,1093 0.444,1094 0.281,1095 5.338,1096 8.59,1097 5.235,1098 4.267,1099 9.136,1100 6.174,1101 9.917,1102 0.31,1103 0.149,1104 8.739,1105 4.768,1106 6.644,1107 0.18,1108 0.075,1109 6.361,1110 2.782,1111 5.923,1112 0.123,1113 0.043,1114 5.992,1115 2.072,1116 4.168,1117 0.079,1118 0.02,1119 3.578,1120 1.051,1121 0.474,1122 69.16,1123 0.272,1124 20.493,1125 0.893,1126 108,1127 596.099,1128 163.488,1129 551.179,1130 682.87,1131 504,1132 123,1133 417.193,1134 160.939,1135 422.176,1136 631.94,1137 393,1138 5}
{0 CHEMBL133159,1 1.974,2 11.517,3 5.449,4 29.689,5 105.941,6 10.506,7 0.581,8 3.872,9 3.968,10 3.7,11 3.452,12 5.169,13 3.472,14 4.377,15 4.501,16 4.166,17 3.809,18 6.159,19 3.819,20 4.571,21 4.731,22 4.152,23 3.898,24 5.971,25 3.876,26 4.6,27 4.786,28 4.28,29 3.772,30 6.091,31 3.796,32 4.57,33 4.75,34 4.129,35 3.668,36 6.414,37 3.706,38 4.395,39 4.563,40 4.036,41 3.639,42 5.944,43 3.676,44 4.41,45 4.575,46 4.024,47 3.65,48 5.947,49 3.695,50 4.408,51 4.559,52 4.13,53 3.579,54 6.05,55 3.643,56 0.267,57 0.824,58 2.952,59 3.335,60 36.335,61 3.11,62 0.941,63 1.597,64 7.447,65 5.813,66 142.369,67 5.474,68 0.806,69 1.365,70 17.532,71 7.434,72 89.794,73 7.836,74 0.93,75 1.428,76 21.008,77 7.406,78 104.56,79 7.66,80 1.449,81 1.477,82 22.323,83 6.949,84 194.886,85 6.808,86 0.9,87 1.278,88 14.338,89 6.22,90 127.619,91 5.59,92 0.874,93 1.413,94 12.069,95 6.052,96 117.332,97 4.643,98 0.976,99 1.436,100 16.278,101 6.429,102 131.617,103 4.91,104 38,105 44,106 0.343,107 0.659,108 0.757,109 0.831,110 0.843,111 0.843,112 3.408,113 0.868,114 -5.31,115 -5.19,116 -4.85,117 45.2,121 1,124 1,125 8,126 2,127 3,128 1,131 1,134 1,139 6,140 1,141 3,143 3,144 4,145 13,150 2,151 3,153 2,154 4,155 2,156 6,157 5,160 4,163 1,168 11,170 1,171 1,174 4,176 2,180 2,183 7,185 3,186 2,189 2,192 2,193 1,194 1475,195 18.781,196 18.781,197 18.781,198 18.781,199 18.781,200 16.451,201 24.889,202 11.06,203 19.51,204 15.339,205 15.339,206 15.339,207 15.339,208 15.339,209 11.791,210 37.791,211 5.329,212 16.684,213 3.418,214 1.602,215 1.036,216 0.607,217 0.542,218 0.542,219 4.084,220 2,223 1,224 1,225 703,226 3.937,228 326.015,229 2.121,230 53.67,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 66.167,241 334,242 4.602,243 4.473,244 7.285,245 4.293,246 3.407,247 4.139,248 12.431,249 3.085,250 4.176,251 3.573,252 6.088,253 3.751,254 2.821,255 3.812,256 1.058,257 8.715,258 2.585,259 3.921,260 3.131,261 5.656,262 3.559,263 2.641,264 3.448,265 0.657,266 7.848,267 2.514,268 3.88,269 2.834,270 5.419,271 3.518,272 2.544,273 3.078,275 7.174,276 2.334,277 3.701,278 2.623,279 5.254,280 3.261,281 2.332,282 3.062,283 6.713,284 2.133,285 3.284,286 2.586,287 4.915,288 2.87,289 1.955,290 2.53,291 5.682,292 1.722,293 3.232,294 2.266,295 4.618,296 2.707,297 1.879,298 2.481,299 4.963,300 1.491,301 2.928,302 2.067,303 4.475,304 2.5,305 1.511,306 2.094,307 3.994,308 1.441,309 2.785,310 1.588,311 3.847,312 2.304,313 1.337,314 1.808,315 3.138,316 1.264,317 2.573,318 1.29,319 3.638,320 2.028,321 1.112,322 1.597,323 2.844,324 1.007,325 2.5,326 1,327 3.247,328 2,329 1,330 1.5,331 2.136,332 1,333 1.855,334 0.865,335 3.153,336 1.57,337 0.631,338 0.746,339 1.501,340 0.59,341 1.195,342 0.518,343 2.94,344 0.839,345 -0.118,346 -0.144,347 -0.332,348 -0.112,349 1.085,350 0.51,351 2.699,352 0.655,353 -0.332,354 -0.444,355 -0.839,356 -0.229,357 1,358 0.51,359 2.425,360 0.473,361 -0.347,362 -0.445,364 -0.891,365 -0.282,366 13.719,367 0.473,368 0.953,369 0.033,370 39.5,371 1.362,372 20.5,373 0.707,374 19,375 0.655,376 22.163,377 0.764,378 31.281,379 0.745,380 33.166,381 1.144,382 8.122,383 0.28,384 5.598,385 0.193,386 0.191,387 0.036,388 0.292,389 3,390 0.618,391 0.978,392 0.501,393 0.823,394 0.607,395 0.767,396 0.456,397 0.745,398 0.595,399 0.837,400 0.41,401 0.906,402 0.686,403 0.872,404 0.996,405 1.111,406 0.639,407 1.14,408 0.825,409 1.072,410 0.605,411 0.963,412 0.842,413 0.917,414 0.905,415 0.743,416 0.963,417 0.824,418 1.037,419 0.881,420 1.128,421 1.121,422 0.728,423 0.86,424 1.2,425 0.819,426 1.52,427 1.354,428 0.874,429 0.819,430 1.49,431 0.825,432 1.686,433 1.612,434 1.175,435 1.172,436 1.739,437 0.989,438 8,439 0.128,440 2.889,441 2.438,442 1.996,443 1.139,444 0.571,445 0.651,446 0.571,447 0.252,448 10513,449 43611,450 1.985,451 31,453 10,455 1,456 2,459 1.721,460 1.822,461 3.451,462 0.33,466 82.906,467 1.974,468 3.79,469 4.356,470 4.785,471 4.851,472 4.851,473 2.957,474 4.28,475 4.825,476 3.68,477 1494.06,478 8.415,479 20483,484 226.477,485 1.658,486 4.76,487 0.258,488 0.008,489 0.066,490 0.057,491 0.048,492 0.028,493 0.015,494 0.018,495 0.016,496 0.008,497 0.521,498 0.17,499 1,500 0.805,501 147.909,502 -0.065,503 -0.082,504 -0.007,505 -0.001,506 -0.098,507 0.023,508 0.363,509 0.289,510 0.047,511 0.036,512 0.393,513 -0.082,514 0.01,515 -0.098,516 -0.107,517 -0.199,518 0.002,519 -0.18,520 0.033,521 -0.235,522 0.273,523 -0.056,524 0.01,525 0.061,526 0.298,527 0.338,528 -0.045,529 0.123,530 0.243,531 0.042,532 -0.094,533 -0.052,534 0.06,535 0.073,536 -0.117,537 0.106,538 -0.37,539 -0.144,540 -0.106,541 0.113,542 -0.286,543 0.046,544 -0.311,545 -0.294,546 -0.115,547 -0.148,548 -0.302,549 -0.099,550 6.106,551 5.479,552 0.621,553 30.4,554 1.05,555 1.143,556 4.075,557 16.608,558 0.722,559 3.466,560 3.807,561 3.97,562 4.22,563 4.407,564 4.382,565 4.419,566 4.522,567 4.654,568 4.644,569 6.93,570 0.721,571 441.26,572 3.466,573 5.017,574 5.838,575 6.72,576 7.561,577 8.444,578 9.295,579 10.179,580 11.037,581 11.922,582 9.5,584 1,586 1,588 2,589 9,590 2,593 7,594 18,596 1,600 1,604 2,605 42,606 19,607 2,608 31,609 44,610 19,611 16,612 4,613 8,614 1,615 3,616 3,617 2,618 1,620 1,622 17,623 2,624 1,625 1,626 1,630 3,631 13,632 8,633 2,634 10,635 2,637 4,638 1,641 1,643 3,644 3,647 2,648 3,649 29,652 1,653 2,657 1,659 5,660 2.4,662 1,665 15.917,666 7.531,667 6.222,668 2.256,670 2.959,671 1.412,672 0.989,673 6.507,674 10.146,675 3.738,676 4.337,677 4.834,678 5.375,679 5.857,680 5.918,681 6.084,682 6.374,683 6.784,684 7.08,685 0.875,686 43,687 11.454,688 5.62,689 8.407,690 19.116,691 15.196,692 2.907,693 84.306,695 129.482,696 120.212,697 69.593,698 78.297,699 25.145,700 44.88,702 120.212,703 232.924,704 114.473,706 20.116,707 75.81,708 93.202,709 72.814,710 1.899,711 117.711,712 86.057,713 129.482,714 189.805,715 70.025,716 78.297,717 129.482,718 70.025,720 41.579,721 96.644,722 129.879,724 174.362,725 94.737,726 198.51,729 137.242,730 27.595,731 84.857,732 36.022,733 181.894,734 129.482,735 139.618,736 198.51,737 0.59,738 0.318,739 0.17,740 0.094,741 20,742 10,743 0.114,744 5,745 3.975,746 246.011,747 18,748 126.127,750 21.221,751 8.892,752 5.75,753 139.618,754 13.988,755 7.327,758 -0.895,759 36.022,760 467.609,761 41,762 12.397,763 -1.037,765 44.105,766 48.016,767 0.366,768 0.703,769 0.808,770 0.887,771 0.9,772 0.9,773 4.98,774 1.511,775 5.866,776 4.963,777 4.489,778 5.024,779 3.176,780 6.688,781 4.329,782 6.212,783 1.337,784 7.44,785 3.994,786 4.29,787 4.879,788 3.903,789 7.811,790 3.919,791 7.531,792 1.112,793 9.124,794 3.138,795 6.142,796 7.189,797 5.433,798 10.825,799 5.826,800 8.88,801 1,802 10.878,803 2.844,804 6.698,805 7.748,806 6.69,807 12.786,808 6.178,809 10.257,810 0.631,811 12.679,812 2.136,813 8.112,814 9.608,815 8.059,816 15.436,817 7.611,818 11.654,819 -0.118,820 14.516,821 1.501,822 9.014,823 10.522,824 9.388,825 17.74,826 8.336,827 13.069,828 -0.332,829 16.382,830 -0.332,831 10.273,832 12.168,833 10.734,834 20.292,835 9.567,836 3.407,837 -0.347,838 18.27,839 -0.839,840 11.339,841 13.283,842 12.074,843 22.731,844 10.482,845 2.821,846 12.431,847 20.178,848 -0.891,849 12.549,850 14.817,851 13.416,852 25.257,853 11.63,854 2.641,855 8.715,856 22.101,857 4.139,858 13.692,859 16.05,860 14.758,861 27.746,862 12.643,863 2.544,864 7.848,865 24.037,866 3.812,867 14.894,868 17.522,869 16.1,870 30.266,871 13.76,872 2.332,873 7.174,874 25.982,875 3.448,876 16.074,877 18.825,878 17.441,879 32.774,880 14.823,881 1.955,882 6.713,883 27.936,884 3.078,885 17.279,886 20.264,887 18.783,888 35.293,889 15.933,890 1.879,891 5.682,892 29.896,893 3.062,894 18.479,895 21.61,896 20.124,897 37.808,898 17.023,899 10298,900 21228,901 19.879,902 30.335,903 47.128,904 47.077,905 47.264,906 46.812,907 46.343,908 60.592,909 11.082,910 134.276,911 42.335,912 5.45,913 6.473,914 7.087,915 5.364,916 5.407,917 7.139,918 5.335,919 20.139,920 5.085,921 16.908,922 1.52,923 1.519,924 1.525,925 1.51,926 1.495,927 1.955,928 0.357,929 4.331,930 1.366,931 3.985,932 4.021,933 4.093,934 3.885,935 8.513,936 3.886,937 3.901,938 3.928,939 3.922,940 3.842,941 7.999,942 3.834,943 3.846,944 3.875,945 3.814,946 3.719,947 7.999,948 3.743,949 3.385,950 3.451,951 3.582,952 3.155,953 7.429,954 3.179,955 3.323,956 3.361,957 3.387,958 2.996,959 5.026,960 3.052,961 3.118,962 3.186,963 3.349,964 2.856,965 4.945,966 2.905,967 2.901,968 2.925,969 3.086,970 2.849,971 4.743,972 2.815,973 2.854,974 2.918,975 2.906,976 2.735,977 4.632,978 2.715,979 0.148,980 0.144,981 0.235,982 0.138,983 0.11,984 4.602,985 0.134,986 4.473,987 0.123,988 7.285,989 0.401,990 4.293,991 0.1,992 3.407,993 4.139,994 12.431,995 3.085,996 1.915,997 1.884,998 2.042,999 2.042,1000 1.152,1001 2.031,1002 1.884,1003 1.865,1004 1.936,1005 1.98,1006 1.061,1007 1.982,1008 1.776,1009 1.747,1010 1.819,1011 1.912,1012 0.88,1013 1.901,1014 1.301,1015 1.235,1016 1.524,1017 1.556,1018 0.674,1019 1.542,1020 1.101,1021 1.059,1022 1.219,1023 1.446,1024 0.226,1025 1.356,1026 0.964,1027 0.913,1028 1.181,1029 1.294,1030 0.218,1031 1.241,1032 0.886,1033 0.827,1034 1.026,1035 1.062,1036 0.105,1037 1.107,1038 0.849,1039 0.821,1040 1,1041 0.967,1042 0.053,1043 1.004,1044 4.143,1045 5.476,1047 6.987,1049 8.582,1051 10.222,1053 11.682,1054 40.436,1057 0.227,1058 5.037,1062 -4.856,1063 30.293,1064 82.906,1065 159.193,1066 182.968,1067 200.968,1068 203.722,1069 203.722,1070 76.548,1071 7.187,1072 66.91,1073 66.91,1074 18,1075 12.46,1076 4.322,1077 3.459,1078 52.399,1079 117,1080 128,1081 0.213,1082 193.005,1083 342.5,1084 462.691,1085 12356,1086 11.9,1087 21.018,1088 0.725,1089 0.555,1090 19.518,1091 16.108,1092 13.719,1093 0.443,1094 0.289,1095 8.119,1096 12.487,1097 7.956,1098 6.532,1099 13.085,1100 8.972,1101 13.393,1102 0.304,1103 0.154,1104 12.215,1105 6.778,1106 9.545,1107 0.184,1108 0.08,1109 9.236,1110 4.152,1111 8.174,1112 0.122,1113 0.044,1114 8.387,1115 2.977,1116 6.293,1117 0.078,1118 0.021,1119 5.545,1120 1.704,1121 0.335,1122 93.219,1123 0.224,1124 27.698,1125 0.584,1126 150,1127 686.432,1128 207.986,1129 643.713,1130 816.61,1131 592,1132 171,1133 521.587,1134 211.437,1135 529.07,1136 789,1137 495,1138 5}
{0 CHEMBL133940,1 2.034,2 11.636,3 5.718,4 32.699,5 105.592,6 10.119,7 0.343,8 4.034,9 4.122,10 3.81,11 3.516,12 5.331,13 3.57,14 4.64,15 4.769,16 4.352,17 3.89,18 6.599,19 3.945,20 4.845,21 5.026,22 4.297,23 4.018,24 6.259,25 4.038,26 4.92,27 5.11,28 4.335,29 3.916,30 6.417,31 3.993,32 4.803,33 4.946,34 4.515,35 3.81,36 6.764,37 3.943,38 4.706,39 4.835,40 4.246,41 3.818,42 6.541,43 3.891,44 4.683,45 4.836,46 4.208,47 3.871,48 6.431,49 3.911,50 4.764,51 4.943,52 4.247,53 3.848,54 6.263,55 3.921,56 0.535,57 1.152,58 4.128,59 4.733,60 95.848,61 4.172,62 1.846,63 2.327,64 14.33,65 8.079,66 311.083,67 7.75,68 1.607,69 1.826,70 22.616,71 10.168,72 212.301,73 11.487,74 2.144,75 1.954,76 31.016,77 10.553,78 317.954,79 10.602,80 2.157,81 1.768,82 24.812,83 8.332,84 312.347,85 7.296,86 2.095,87 1.554,88 18.913,89 8.39,90 329.782,91 6.861,92 1.592,93 1.801,94 17.672,95 8.632,96 272.033,97 8.766,98 1.719,99 2.143,100 19.743,101 9.473,102 274.792,103 8.652,104 86,105 52,106 0.346,107 0.656,108 0.745,109 0.826,110 0.845,111 0.845,112 3.532,113 0.863,114 -5.41,115 -5.29,116 -4.94,117 40.8,119 5,123 1,124 2,125 3,126 3,127 1,128 1,131 1,134 2,139 8,140 2,141 9,143 1,144 3,145 8,148 6,150 2,151 4,153 2,154 7,155 2,156 1,157 5,160 6,161 2,165 8,168 7,172 1,174 8,175 2,176 6,179 2,180 6,183 2,185 2,186 5,188 4,189 2,192 1,193 5,194 1991,195 20.753,196 20.753,197 20.753,198 20.753,199 20.753,200 19.174,201 23.452,202 11.912,203 21.669,204 17.291,205 17.291,206 17.291,207 17.291,208 17.291,209 14.654,210 28.84,211 5.722,212 18.975,213 3.581,214 1.754,215 1.229,216 0.756,217 0.643,218 0.643,219 4.202,221 1,224 1,225 797,226 4.848,228 362.368,229 1.747,230 91.686,232 0.75,233 0.83,234 1,235 1,236 0.5,237 1,238 1,239 0.87,240 79.833,241 384,242 4.601,243 4.473,244 7.285,245 4.291,246 3.406,247 4.137,248 12.427,249 3.083,250 4.502,251 4.461,252 7.124,253 4.21,254 3.336,255 4.021,256 3.825,257 11.741,258 2.99,259 4.097,260 3.685,261 6.115,262 3.794,263 2.847,264 3.346,265 1.674,266 8.936,267 2.627,268 3.92,269 3.57,270 6.054,271 3.63,272 2.697,273 3.114,274 1.058,275 8.595,276 2.455,277 3.707,278 2.922,279 5.419,280 3.421,281 2.478,282 3.033,283 7.194,284 2.335,285 3.573,286 2.71,287 5.247,288 3.207,289 2.314,290 2.826,291 6.59,292 2.093,293 3.394,294 2.581,295 5.054,296 3.032,297 2.125,298 2.461,299 6.055,300 1.784,301 2.914,302 2.163,303 4.588,304 2.525,305 1.585,306 1.995,307 4.602,308 1.471,309 2.739,310 1.895,311 4.41,312 2.395,313 1.441,314 1.754,315 3.826,316 1.337,317 2.635,318 1.612,319 4.03,320 2.237,321 1.297,322 1.637,323 3.403,324 1.167,325 2.571,326 1.582,327 3.843,328 2.057,329 1.106,330 1.592,331 2.843,332 1.038,333 2.386,334 1.29,335 3.528,336 2.021,337 1.051,338 1.332,339 2.682,340 1.001,341 2,342 1,343 3.247,344 2,345 1,346 1,347 2.136,348 1,349 1.202,350 0.661,351 2.963,352 0.841,353 -0.066,354 -0.079,355 -0.176,356 -0.052,357 1.153,358 0.563,359 2.842,360 0.756,361 -0.198,362 -0.219,364 -0.483,365 -0.185,366 14.629,367 0.443,368 1.331,369 0.04,370 37.25,371 1.129,372 15.5,373 0.47,374 21.75,375 0.659,376 32.023,377 0.97,378 38.771,379 0.791,380 37.904,381 1.149,382 7.326,383 0.222,384 8.015,385 0.243,386 0.212,387 0.068,388 0.308,389 6,390 0.621,391 0.988,392 0.515,393 1.065,394 0.613,395 0.92,396 0.403,397 0.694,398 0.547,399 1.008,400 0.358,401 1.009,402 0.607,403 0.778,404 0.61,405 1.024,406 0.506,407 1.018,408 1.023,409 0.948,410 0.804,411 0.904,412 0.961,413 0.831,414 0.872,415 0.815,416 0.704,417 0.892,418 1.003,419 0.785,420 0.977,421 0.923,422 0.901,423 0.929,424 1.067,425 1.015,426 0.633,427 0.976,428 0.713,429 1.051,430 0.612,431 1.053,432 1.112,433 1.361,434 0.849,435 1.192,436 1.085,437 1.098,438 10.5,439 0.289,440 4.222,441 2.938,442 2.813,443 1.583,444 0.857,445 0.776,446 0.666,447 0.627,448 13629,449 63193,450 1.928,451 32.7,452 6,453 4,455 1,456 1,458 4,459 1.758,460 1.737,461 3.46,462 -0.202,466 99.663,467 2.034,468 3.861,469 4.385,470 4.859,471 4.972,472 4.972,473 2.877,474 4.491,475 5.017,476 3.662,477 1933.61,478 8.819,479 28714.1,484 275.121,485 1.797,486 4.918,487 0.3,488 0.008,489 0.081,490 0.056,491 0.054,492 0.029,493 0.019,494 0.017,495 0.014,496 0.014,497 0.591,498 0.17,499 0.88,500 0.909,501 173.779,502 -0.044,503 -0.073,504 0.003,505 -0.047,506 -0.058,507 -0.003,508 0.421,509 0.3,510 0.168,511 -0.018,512 0.435,513 -0.077,514 0.058,515 -0.084,516 0.194,517 -0.084,518 0.093,519 0.054,520 -0.14,521 -0.173,522 0.141,523 0.022,524 -0.108,525 0.21,526 0.171,527 0.142,528 0.237,529 0.042,530 0.077,531 0.101,532 0.018,533 0.043,534 -0.108,535 0.046,536 -0.04,537 -0.096,538 0.131,539 -0.14,540 0.065,541 -0.087,542 0.174,543 -0.049,544 -0.187,545 -0.314,546 -0.011,547 -0.208,548 -0.161,549 -0.099,550 6.331,551 5.437,552 0.545,553 32.566,554 1.072,555 1.169,556 4.177,557 17.447,558 0.663,559 3.584,560 3.97,561 4.127,562 4.357,563 4.615,564 4.575,565 4.691,566 4.691,567 4.828,568 4.913,569 7.017,570 0.686,571 495.84,572 3.584,573 5.165,574 5.994,575 6.895,576 7.751,577 8.647,578 9.515,579 10.408,580 11.283,581 12.175,582 6.1,586 1,588 2,589 4,590 2,593 6,594 12,596 1,598 1,604 1,605 49,606 14,607 1,608 35,609 51,610 20,611 10,612 3,613 3,614 2,615 3,616 3,617 1,618 2,619 6,620 2,621 6,622 12,623 8,624 2,625 2,626 2,630 6,631 16,632 12,633 1,634 13,635 1,637 3,638 3,641 1,643 3,644 3,647 1,648 6,649 33,652 5,653 1,654 1,655 1,657 2,659 7,660 6.1,662 2,664 1,665 19,666 8.817,667 6.917,668 3.001,670 2.331,671 1.312,672 0.957,673 7.432,674 9.792,675 3.784,676 4.357,677 4.828,678 5.346,679 5.87,680 6.018,681 6.29,682 6.34,683 6.685,684 6.937,685 0.875,686 52,687 14.215,688 8.004,689 8.857,690 21.455,691 17.572,692 3.357,693 110.778,695 176.567,696 95.277,697 51.582,698 39.149,699 61.29,700 89.761,702 95.277,703 277.005,704 141.342,706 30.683,707 28.429,708 107.528,709 124.878,710 41.792,711 164.795,712 15.519,713 176.567,714 146.859,715 151.05,716 39.149,717 129.482,718 198.135,720 60.65,721 52.638,722 33.571,723 39.149,724 266.327,725 112.872,726 134.426,729 192.086,730 42.282,731 37.476,732 18.011,733 223.77,734 176.567,735 202.632,736 134.426,737 0.605,738 0.324,739 0.163,740 0.101,741 24,742 13,743 0.098,744 5,745 4.109,746 302.903,747 18,748 152.955,750 25.11,751 9.767,752 6.51,753 202.632,754 2.425,755 6.312,758 -5.855,759 18.011,760 513.624,761 43,762 24.858,763 -2.473,765 52.523,766 57.257,767 0.362,768 0.688,769 0.781,770 0.865,771 0.885,772 0.885,773 5.081,774 1.585,775 6.071,776 6.055,777 4.654,778 5.043,779 3.882,780 6.948,781 4.488,782 6.325,783 1.441,784 7.69,785 4.602,786 4.635,787 5.075,788 4.586,789 8.242,790 4.256,791 7.668,792 1.297,793 9.424,794 3.826,795 6.399,796 7.19,797 6.151,798 11.226,799 6.056,800 9.041,801 1.106,802 11.226,803 3.403,804 7.099,805 7.922,806 7.382,807 13.271,808 6.549,809 10.442,810 1.051,811 13.07,812 2.843,813 8.472,814 9.641,815 8.758,816 15.904,817 7.919,818 11.864,819 1,820 14.944,821 2.682,822 9.462,823 10.691,824 10.082,825 18.228,826 8.735,827 13.302,828 -0.066,829 16.84,830 2.136,831 10.71,832 12.247,833 11.429,834 20.763,835 9.937,836 3.406,837 -0.198,838 18.752,839 -0.176,840 11.822,841 13.459,842 12.767,843 23.193,844 10.904,845 3.336,846 12.427,847 20.677,848 -0.483,849 13.033,850 14.94,851 14.11,852 25.7,853 12.039,854 2.847,855 11.741,856 22.612,857 4.137,858 14.197,859 16.24,860 15.451,861 28.172,862 13.078,863 2.697,864 8.936,865 24.555,866 4.021,867 15.4,868 17.684,869 16.793,870 30.673,871 14.19,872 2.478,873 8.595,874 26.504,875 3.346,876 16.589,877 19.032,878 18.134,879 33.163,880 15.263,881 2.314,882 7.194,883 28.458,884 3.114,885 17.793,886 20.458,887 19.476,888 35.663,889 16.368,890 2.125,891 6.59,892 30.416,893 3.033,894 18.994,895 21.833,896 20.818,897 38.161,898 17.459,899 13541,900 29580,901 21.671,902 32.478,903 54.133,904 53.796,905 54.632,906 53.866,907 53.367,908 64.498,909 20.766,910 162.057,911 48.761,912 5.601,913 6.473,914 7.087,915 5.361,916 5.406,917 7.137,918 5.5,919 20.135,920 5.083,921 22.567,922 1.547,923 1.537,924 1.561,925 1.539,926 1.525,927 1.843,928 0.593,929 4.63,930 1.393,931 4.005,932 4.03,933 4.026,934 3.902,935 8.517,936 3.913,937 3.884,938 3.917,939 3.929,940 3.733,941 8.509,942 3.76,943 3.842,944 3.891,945 3.714,946 3.727,947 7.999,948 3.714,949 3.411,950 3.441,951 3.561,952 3.136,953 7.999,954 3.188,955 3.373,956 3.394,957 3.423,958 3.088,959 7.999,960 3.141,961 3.275,962 3.324,963 3.359,964 2.941,965 7.999,966 2.991,967 3.14,968 3.206,969 3.144,970 2.924,971 7.434,972 2.925,973 3.111,974 3.188,975 2.906,976 2.908,977 7.428,978 2.91,979 0.131,980 0.128,981 0.208,982 0.123,983 0.097,984 4.601,985 0.118,986 4.473,987 0.109,988 7.285,989 0.355,990 4.291,991 0.088,992 3.406,993 4.137,994 12.427,995 3.083,996 1.931,997 1.912,998 2.084,999 2.053,1000 1.464,1001 2.051,1002 1.85,1003 1.799,1004 1.992,1005 2.002,1006 1.127,1007 2.008,1008 1.779,1009 1.753,1010 1.803,1011 1.944,1012 0.871,1013 1.909,1014 1.235,1015 1.22,1016 1.513,1017 1.527,1018 0.825,1019 1.475,1020 1.18,1021 1.143,1022 1.468,1023 1.513,1024 0.778,1025 1.429,1026 1.153,1027 1.064,1028 1.268,1029 1.392,1030 0.293,1031 1.428,1032 1.065,1033 1.008,1034 1.216,1035 1.376,1036 0.263,1037 1.304,1038 0.986,1039 0.947,1040 1.02,1041 1.316,1043 1.27,1044 4.263,1045 5.631,1047 7.171,1049 8.787,1051 10.447,1053 5.364,1054 79.645,1057 3.734,1058 1.932,1059 5.264,1060 -0.445,1062 -9.983,1063 33.604,1064 99.663,1065 189.193,1066 214.882,1067 238.101,1068 243.611,1069 243.611,1070 137.216,1071 7.461,1072 81.18,1073 81.18,1074 18,1075 12.706,1076 3.907,1077 3.17,1078 63.881,1079 137,1080 146,1081 0.223,1082 204.912,1083 385.56,1084 491.744,1085 17237,1086 14.3,1087 24.389,1088 0.739,1089 0.529,1090 19.889,1091 17.443,1092 15.341,1093 0.438,1094 0.288,1095 9.46,1096 14.025,1097 9.407,1098 7.656,1099 13.207,1100 10.065,1101 15.881,1102 0.305,1103 0.147,1104 12.336,1105 7.653,1106 11.015,1107 0.181,1108 0.083,1109 9.508,1110 5.034,1111 8.772,1112 0.114,1113 0.045,1114 8.105,1115 3.458,1116 7.657,1117 0.077,1118 0.024,1119 5.947,1120 2.432,1121 0.347,1122 102.965,1123 0.215,1124 30.379,1125 0.623,1126 174,1127 993.7,1128 239.484,1129 810.667,1130 1010.22,1131 742,1132 200,1133 655.034,1134 244.97,1135 627.438,1136 960.87,1137 585,1138 5.921}
{0 CHEMBL134490,1 2.151,2 10.276,3 4.209,4 17.714,5 89.327,6 11.327,7 0.4,8 3.825,9 3.901,10 3.679,11 3.273,12 5.247,13 3.366,14 4.389,15 4.501,16 4.233,17 3.584,18 6.547,19 3.704,20 4.466,21 4.592,22 4.172,23 3.7,24 6.125,25 3.797,26 4.6,27 4.731,28 4.238,29 3.655,30 6.311,31 3.806,32 4.593,33 4.706,34 4.42,35 3.587,36 6.692,37 3.764,38 4.516,39 4.654,40 4.1,41 3.545,42 6.441,43 3.651,44 4.414,45 4.559,46 4.038,47 3.516,48 6.337,49 3.616,50 4.445,51 4.613,52 4.001,53 3.417,54 6.144,55 3.567,56 0.633,57 1.011,58 1.171,59 3.535,60 105.859,61 2.498,62 1.762,63 2.03,64 8.572,65 5.692,66 288.092,67 4.324,68 1.395,69 1.55,70 8.342,71 6.392,72 187.741,73 5.356,74 1.927,75 1.748,76 13.495,77 7.294,78 310.807,79 4.981,80 1.867,81 1.523,82 12.136,83 6.406,84 299.507,85 4.156,86 2.111,87 1.244,88 14.103,89 6.761,90 327.531,91 5.208,92 1.574,93 1.474,94 11.694,95 6.135,96 267.343,97 5.55,98 1.845,99 1.594,100 11.928,101 6.553,102 298.114,103 4.592,104 112,105 45,106 0.385,107 0.727,108 0.822,109 0.872,110 0.872,111 0.872,112 3.408,113 0.801,114 -4.54,115 -4.46,116 -4.2,117 41,118 1,121 1,124 2,125 3,126 3,127 1,128 1,131 1,134 2,139 4,140 2,141 8,143 1,144 3,145 4,148 4,150 2,151 2,153 2,154 5,155 2,156 1,157 4,160 4,161 2,165 4,168 6,172 1,174 2,175 2,176 6,179 1,180 1,183 2,186 2,188 4,189 1,193 3,194 1323,195 17.9,196 17.9,197 17.9,198 17.9,199 17.9,200 16.32,201 22.373,202 10.204,203 18.911,204 14.757,205 14.757,206 14.757,207 14.757,208 14.757,209 12.109,210 26.515,211 4.78,212 16.477,213 3.134,214 1.228,215 0.693,216 0.417,217 0.417,218 0.417,219 4.06,221 1,223 1,224 1,225 597,226 4.899,228 212.484,229 1.37,230 86.023,232 1,233 1,234 1,235 0.6,236 0.5,237 1,238 1,239 0.87,240 71.833,241 298,242 4.601,243 4.473,244 7.285,245 4.291,246 3.406,247 4.137,248 12.427,249 3.083,250 4.501,251 4.461,252 7.124,253 4.209,254 3.336,255 4.021,256 3.825,257 11.741,258 2.988,259 4.085,260 3.66,261 6.105,262 3.768,263 2.819,264 3.34,265 1.674,266 8.864,267 2.603,268 3.915,269 3.569,270 6.038,271 3.615,272 2.677,273 3.11,274 1.058,275 8.555,276 2.446,277 3.694,278 2.922,279 5.342,280 3.244,281 2.354,282 3.032,283 6.864,284 2.112,285 3.525,286 2.623,287 5.06,288 3.044,289 2.161,290 2.808,291 6.079,292 1.786,293 2.945,294 2.164,295 4.598,296 2.527,297 1.61,298 2.039,299 4.652,300 1.438,301 2.744,302 1.912,303 4.41,304 2.272,305 1.349,306 1.757,307 3.826,308 1.216,309 2.665,310 1.809,311 4.108,312 2.235,313 1.297,314 1.692,315 3.483,316 1.167,317 2.571,318 1.602,319 3.844,320 2.023,321 1.103,322 1.593,323 2.829,324 1.002,325 2.064,326 1.29,327 2.963,328 1.778,329 0.782,330 0.938,331 1.319,332 0.765,333 1.202,334 0.564,335 2.938,336 0.841,337 -0.066,338 -0.079,339 -0.176,340 -0.052,341 1.153,342 0.51,343 2.837,344 0.607,345 -0.32,346 -0.438,347 -0.79,348 -0.272,349 0.798,350 0.51,351 2.686,352 0.411,353 -0.547,354 -0.613,355 -0.87,356 -0.519,357 0.655,358 0.51,359 2.352,360 0.335,361 -0.685,362 -0.933,364 -2,365 -0.638,366 12.629,367 0.435,368 1.262,369 0.044,370 34.75,371 1.198,372 15.5,373 0.534,374 19.25,375 0.664,376 24.433,377 0.843,378 34.171,379 0.876,380 35.667,381 1.23,382 7.386,383 0.255,384 5.938,385 0.205,386 0.285,387 0.079,388 0.317,389 6,390 0.689,391 1,392 0.496,393 1.052,394 0.685,395 0.887,396 0.48,397 0.656,398 0.497,399 0.839,400 0.425,401 0.811,402 0.75,403 0.864,404 0.619,405 0.998,406 0.667,407 0.951,408 1.206,409 1.112,410 0.966,411 1.021,412 1.208,413 0.942,414 0.873,415 0.875,416 0.793,417 1.027,418 1.03,419 0.983,420 0.929,421 0.917,422 0.897,423 0.911,424 0.977,425 1.047,426 0.697,427 1.021,428 0.728,429 1.031,430 0.637,431 1.033,432 1.436,433 1.44,434 1.071,435 1.141,436 1.376,437 1.094,438 10,439 0.215,440 4.222,441 2.875,442 2.502,443 1.576,444 0.835,445 0.661,446 0.518,447 0.507,448 8626,449 50898,450 1.847,451 25.6,453 5,455 1,456 1,458 3,459 1.726,460 1.642,461 3.289,462 -0.132,463 1,466 83.892,467 2.151,468 4.058,469 4.593,470 4.868,471 4.868,472 4.868,473 2.652,474 4.461,475 4.833,476 3.464,477 1406.49,478 8.45,479 18945.2,481 1,483 1,484 206.131,485 1.832,486 4.706,487 0.333,488 0.008,489 0.094,490 0.063,491 0.053,492 0.033,493 0.022,494 0.017,495 0.015,496 0.015,497 0.653,498 0.17,499 1,500 1.371,501 145.674,502 -0.069,503 -0.109,504 -0.006,505 -0.085,506 -0.096,507 -0.026,508 0.402,509 0.345,510 0.223,511 0.119,512 0.419,513 0.076,514 -0.034,515 -0.083,516 0.111,517 -0.071,518 0.01,519 0.04,520 -0.306,521 -0.229,522 -0.112,523 -0.084,524 -0.279,525 0.014,526 0.112,527 0.107,528 0.089,529 -0.095,530 0.003,531 -0.147,532 0.04,533 -0.004,534 -0.014,535 0.052,536 -0.02,537 -0.025,538 0.123,539 -0.201,540 0.137,541 -0.097,542 0.196,543 0.023,544 -0.395,545 -0.34,546 -0.154,547 -0.155,548 -0.332,549 -0.076,550 6.33,551 5.229,552 0.414,553 24.823,554 1.099,555 1.18,556 3.309,557 10.951,558 0.672,559 3.434,560 3.829,561 3.97,562 4.19,563 4.443,564 4.419,565 4.511,566 4.419,567 4.511,568 4.543,569 6.25,570 0.719,571 441.74,572 3.434,573 5.017,574 5.844,575 6.751,576 7.609,577 8.512,578 9.384,579 10.283,580 11.161,581 12.057,582 7.7,586 1,588 2,589 4,590 2,593 6,594 12,596 1,598 1,604 1,605 39,606 14,607 1,608 30,609 40,610 16,611 10,612 3,613 3,614 2,615 2,616 2,617 1,618 3,620 2,622 12,623 4,624 2,625 2,626 2,629 1,630 6,631 10,632 12,633 1,634 13,635 1,637 3,638 3,641 1,643 2,644 2,646 1,647 1,648 6,649 29,652 1,653 1,654 1,657 2,659 7,660 7.7,662 2,664 1,665 17.667,666 7.483,667 6.167,668 2.196,670 2.362,671 1.338,672 0.938,673 6.643,674 9.343,675 3.664,676 4.263,677 4.754,678 5.282,679 5.815,680 5.967,681 6.224,682 6.223,683 6.541,684 6.768,685 0.857,686 46,687 12.622,688 7.209,689 9.136,690 18.03,691 14.042,692 3.636,693 105.444,695 105.94,696 96.022,697 51.582,698 39.149,699 61.29,700 89.761,702 96.022,703 206.378,704 141.342,705 8.825,706 22.603,707 28.429,708 107.528,709 124.878,710 41.792,711 94.169,712 15.519,713 105.94,714 147.604,715 151.05,716 39.149,717 70.627,718 186.364,720 61.394,721 52.638,722 33.571,723 39.149,724 195.701,725 112.872,726 135.171,729 121.459,730 34.202,731 46.301,732 18.011,733 223.77,734 105.94,735 202.632,736 135.171,737 0.604,738 0.323,739 0.161,740 0.101,741 20,742 12,743 0.125,744 5,745 3.672,746 248.888,747 12,748 131.372,750 22.766,751 8.462,752 5.738,753 202.632,754 2.243,755 6.231,758 -5.986,759 18.011,760 443.743,761 38,762 23.998,763 -2.567,765 42.872,766 46.012,767 0.407,768 0.768,769 0.869,770 0.921,771 0.921,772 0.921,773 4.956,774 1.349,775 5.943,776 4.652,777 4.511,778 4.949,779 3.882,780 6.843,781 4.322,782 6.226,783 1.297,784 7.582,785 3.826,786 4.575,787 5.037,788 4.586,789 8.199,790 4.186,791 7.583,792 1.103,793 9.336,794 3.483,795 6.29,796 7.142,797 6.151,798 11.174,799 5.919,800 8.97,801 0.782,802 11.154,803 2.829,804 7.048,805 7.9,806 7.382,807 13.247,808 6.487,809 10.383,810 -0.066,811 13.013,812 1.319,813 8.399,814 9.618,815 8.758,816 15.881,817 7.819,818 11.815,819 -0.32,820 14.898,821 -0.176,822 9.422,823 10.678,824 10.082,825 18.217,826 8.684,827 13.261,828 -0.547,829 16.804,830 -0.79,831 10.663,832 12.236,833 11.429,834 20.753,835 9.867,836 3.406,837 -0.685,838 18.723,839 -0.87,840 11.792,841 13.453,842 12.767,843 23.187,844 10.863,845 3.336,846 12.427,847 20.654,848 -2,849 13.002,850 14.934,851 14.11,852 25.695,853 11.991,854 2.819,855 11.741,856 22.594,857 4.137,858 14.176,859 16.236,860 15.451,861 28.169,862 13.046,863 2.677,864 8.864,865 24.54,866 4.021,867 15.38,868 17.681,869 16.793,870 30.671,871 14.156,872 2.354,873 8.555,874 26.492,875 3.34,876 16.574,877 19.029,878 18.134,879 33.161,880 15.238,881 2.161,882 6.864,883 28.448,884 3.11,885 17.779,886 20.456,887 19.476,888 35.662,889 16.344,890 1.61,891 6.079,892 30.408,893 3.032,894 18.983,895 21.831,896 20.818,897 38.16,898 17.44,899 8990,900 22017,901 17.8,902 26.193,903 46.753,904 46.818,905 47.827,906 46.211,907 45.788,908 56.933,909 20.766,910 141.276,911 41.212,912 5.456,913 6.473,914 7.054,915 5.361,916 5.406,917 7.137,918 5.5,919 20.135,920 5.083,921 21.915,922 1.558,923 1.561,924 1.594,925 1.54,926 1.526,927 1.898,928 0.692,929 4.709,930 1.374,931 3.997,932 4.021,933 4.024,934 3.897,935 8.517,936 3.907,937 3.881,938 3.91,939 3.925,940 3.733,941 8.509,942 3.76,943 3.546,944 3.589,945 3.562,946 3.304,947 7.999,948 3.319,949 3.392,950 3.435,951 3.474,952 3.093,953 7.999,954 3.149,955 3.298,956 3.341,957 3.388,958 3.051,959 7.999,960 3.077,961 3.261,962 3.302,963 3.236,964 2.917,965 7.999,966 2.991,967 3.024,968 3.033,969 3.027,970 2.788,971 7.434,972 2.823,973 2.696,974 2.749,975 2.832,976 2.421,977 7.428,978 2.464,979 0.153,980 0.149,981 0.243,982 0.143,983 0.114,984 4.601,985 0.138,986 4.473,987 0.128,988 7.285,989 0.414,990 4.291,991 0.103,992 3.406,993 4.137,994 12.427,995 3.083,996 1.927,997 1.908,998 1.997,999 2.044,1000 1.128,1001 2.025,1002 1.781,1003 1.754,1004 1.809,1005 1.95,1006 0.936,1007 1.912,1008 1.485,1009 1.425,1010 1.793,1011 1.745,1012 0.871,1013 1.757,1014 1.18,1015 1.144,1016 1.272,1017 1.517,1018 0.293,1019 1.429,1020 1.147,1021 1.124,1022 1.234,1023 1.436,1024 0.268,1025 1.364,1026 0.986,1027 0.947,1028 1.02,1029 1.382,1030 0.107,1031 1.272,1032 0.852,1033 0.839,1034 1,1035 1.155,1037 1.086,1038 0.567,1039 0.515,1040 0.914,1041 0.877,1043 0.901,1044 4.111,1045 5.485,1047 7.029,1049 8.653,1051 10.324,1052 1.424,1053 5.314,1054 78.413,1057 -0.131,1058 1.87,1059 4.615,1062 -9.98,1063 28.024,1064 83.892,1065 158.256,1066 179.111,1067 189.866,1068 189.866,1069 189.866,1070 133.634,1071 6.981,1072 81.18,1073 81.18,1074 12,1075 12.585,1076 3.907,1077 3.17,1078 65.12,1079 109,1080 112,1081 0.296,1082 173.936,1083 328.72,1084 416.163,1085 8737,1086 17.9,1087 21.983,1088 0.758,1089 0.519,1090 17.483,1091 15.037,1092 13.324,1093 0.444,1094 0.267,1095 7.4,1096 11.981,1097 7.337,1098 5.974,1099 11.19,1100 8.009,1101 13.93,1102 0.31,1103 0.127,1104 10.385,1105 5.709,1106 9.329,1107 0.179,1108 0.067,1109 7.822,1110 3.484,1111 7.322,1112 0.113,1113 0.035,1114 6.655,1115 2.27,1116 6.291,1117 0.075,1118 0.018,1119 4.581,1120 1.506,1121 0.456,1122 90.951,1123 0.237,1124 27.044,1125 0.84,1126 150,1127 969.7,1128 214.819,1129 785.746,1130 971.84,1131 718,1132 172,1133 622.125,1134 215.974,1135 594.575,1136 911.05,1137 553,1138 6.824}
{0 CHEMBL134522,1 2.192,2 8.696,3 4.04,4 16.323,5 77.598,6 11.811,7 0.5,8 3.598,9 3.672,10 3.507,11 3.111,12 4.984,13 3.172,14 4.111,15 4.218,16 4.001,17 3.443,18 6.06,19 3.507,20 4.19,21 4.297,22 3.989,23 3.534,24 5.787,25 3.573,26 4.265,27 4.403,28 4.153,29 3.424,30 5.947,31 3.523,32 4.261,33 4.381,34 3.958,35 3.305,36 6.346,37 3.398,38 4.002,39 4.129,40 3.789,41 3.228,42 5.735,43 3.292,44 4.056,45 4.224,46 3.671,47 3.162,48 5.701,49 3.235,50 3.92,51 4.057,52 3.728,53 2.987,54 5.612,55 3.075,56 0.382,57 0.648,58 0.402,59 2.504,60 48.085,61 1.857,62 1.063,63 1.257,64 5.154,65 4.327,66 151.158,67 3.29,68 0.806,69 0.978,70 8.498,71 4.746,72 88.192,73 3.758,74 0.972,75 1.083,76 11.122,77 4.857,78 113.844,79 3.662,80 1.438,81 0.958,82 12.815,83 4.955,84 188.487,85 3.491,86 0.89,87 0.875,88 6.762,89 4.424,90 116.556,91 3.758,92 1.075,93 0.917,94 8.086,95 4.526,96 145.97,97 2.857,98 0.924,99 0.723,100 9.879,101 3.775,102 130.863,103 2.053,104 54,105 35,106 0.415,107 0.765,108 0.814,109 0.83,110 0.83,111 0.83,112 3.189,113 0.84,114 -4.16,115 -4.11,116 -3.88,117 41.9,120 1,124 1,125 3,126 1,127 3,128 1,131 1,134 1,140 3,141 3,143 1,144 3,145 7,153 2,154 3,155 2,156 3,157 5,167 1,168 7,170 1,174 3,183 8,194 717,195 14.513,196 14.513,197 14.513,198 14.513,199 14.513,200 12.935,201 19.49,202 8.299,203 15.366,204 11.783,205 11.783,206 11.783,207 11.783,208 11.783,209 9.256,210 25.984,211 3.887,212 13.24,213 2.762,214 0.912,215 0.654,216 0.565,217 0.565,218 0.565,219 3.839,220 2,222 1,223 1,224 1,225 405,226 3.742,228 162.375,229 1.301,230 50.45,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 54.667,241 200,242 4.602,243 4.473,244 7.285,245 4.292,246 3.407,247 4.138,248 12.431,249 3.083,250 4.176,251 3.573,252 6.088,253 3.751,254 2.821,255 3.812,256 1.058,257 8.714,258 2.584,259 3.89,260 3.131,261 5.655,262 3.537,263 2.629,264 3.079,265 0.86,266 7.844,267 2.334,268 3.713,269 2.84,270 5.316,271 3.26,272 2.373,273 3.062,275 6.818,276 2.072,277 3.283,278 2.623,279 4.914,280 2.866,281 1.955,282 2.529,283 5.675,284 1.716,285 3.232,286 2.287,287 4.618,288 2.707,289 1.879,290 2.481,291 4.963,292 1.441,293 2.795,294 2.139,295 4.471,296 2.31,297 1.355,298 1.814,299 3.957,300 1.261,301 2.573,302 1.292,303 3.846,304 2.027,305 1.113,306 1.597,307 2.843,308 1.006,309 1.65,310 1.067,311 3,312 1.333,313 0.483,314 0.542,315 0.766,316 0.408,317 1.192,318 0.519,319 2.792,320 0.808,321 -0.162,322 -0.202,323 -0.43,324 -0.153,325 1,326 0.51,327 2.671,328 0.473,329 -0.347,330 -0.445,331 -0.891,332 -0.229,333 0.906,334 0.51,335 2.382,336 0.471,337 -0.46,338 -0.583,339 -1.043,340 -0.307,341 0.7,342 0.256,343 2.189,344 0.205,345 -0.598,346 -0.734,347 -1.368,348 -0.467,349 0.61,350 0.173,351 2.145,352 0.104,353 -0.823,354 -1,355 -2.561,356 -0.7,357 0.126,358 -0.001,359 2,360 -0.3,361 -1,362 -1,364 -3,365 -0.7,366 10.652,367 0.463,368 0.884,369 0.038,370 30,371 1.304,372 14.5,373 0.63,374 15.5,375 0.674,376 17.014,377 0.74,378 25.948,379 0.837,380 24.901,381 1.083,382 6.281,383 0.273,384 4.421,385 0.192,386 0.293,387 0.047,388 0.329,389 3,390 0.707,391 1.035,392 0.485,393 0.897,394 0.659,395 0.794,396 0.601,397 0.671,398 0.564,399 0.599,400 0.459,401 0.652,402 0.81,403 0.898,404 1.127,405 1.145,406 0.755,407 1.152,408 0.981,409 1.095,410 0.617,411 0.906,412 0.997,413 0.82,414 0.912,415 0.766,416 1.128,417 0.869,418 1.148,419 1.033,420 0.906,421 1.187,422 0.686,423 1.061,424 1.018,425 1.01,426 1.71,427 1.389,428 1.046,429 0.765,430 1.698,431 0.872,432 1.768,433 1.381,434 1.578,435 1.111,436 1.844,437 1.053,438 7.5,439 0.054,440 2.667,441 2.5,442 1.844,443 1.076,444 0.448,445 0.384,446 0.345,447 0.148,448 4724,449 26013,450 1.888,451 25.8,453 6,455 1,456 1,459 1.662,460 1.693,461 3.093,462 -0.112,463 1,466 67.965,467 2.192,468 4.042,469 4.3,470 4.389,471 4.389,472 4.389,473 2.512,474 3.758,475 4.497,476 3.259,477 824.447,478 7.765,479 9302.96,481 1,482 1,483 1,484 153.58,485 1.771,486 4.392,487 0.313,488 0.011,489 0.076,490 0.071,491 0.053,492 0.035,493 0.017,494 0.017,495 0.017,496 0.009,497 0.619,498 0.5,499 1,500 1.025,501 106.43,502 -0.092,503 -0.149,504 -0.008,505 -0.082,506 -0.112,507 -0.026,508 0.289,509 0.34,510 0.104,511 0.286,512 0.384,513 0.18,514 -0.093,515 -0.082,516 -0.257,517 -0.253,518 -0.067,519 -0.285,520 -0.116,521 -0.236,522 0.229,523 -0.028,524 -0.104,525 0.094,526 0.29,527 0.372,528 -0.254,529 0.091,530 0.178,531 -0.176,532 0.042,533 -0.206,534 0.131,535 -0.105,536 -0.011,537 -0.012,538 -0.542,539 -0.142,540 -0.182,541 0.225,542 -0.435,543 0.106,544 -0.551,545 -0.211,546 -0.332,547 -0.052,548 -0.555,549 -0.123,550 6.102,551 5.086,552 0.522,553 16.892,554 1.083,555 1.158,556 2.934,557 8.611,558 0.718,559 3.219,560 3.584,561 3.738,562 3.989,563 4.159,564 4.143,565 4.06,566 4.007,567 4.06,568 3.951,569 5.377,570 0.74,571 366.14,572 3.219,573 4.779,574 5.602,575 6.5,576 7.347,577 8.244,578 9.101,579 9.996,580 10.859,581 11.753,582 9.7,586 1,588 2,589 4,590 2,593 6,594 12,596 1,603 1,604 2,605 31,606 13,607 1,608 24,609 32,610 13,611 10,612 3,613 3,614 1,615 2,616 2,617 2,618 1,620 1,622 11,623 2,624 1,625 1,626 1,629 1,630 3,631 8,632 8,633 1,634 10,635 2,637 3,638 2,641 1,643 2,644 2,646 1,647 2,648 3,649 23,653 1,654 1,657 1,659 5,660 6.5,662 1,664 1,665 13.583,666 6.031,667 4.972,668 1.541,670 2.248,671 1.346,672 0.948,673 5.222,674 8.738,675 3.466,676 4.078,677 4.575,678 5.125,679 5.595,680 5.716,681 5.776,682 5.883,683 6.178,684 6.398,685 0.833,686 35,687 9.188,688 4.618,689 8.723,690 14.599,691 11.254,692 3.223,693 74.139,695 82.398,696 80.909,697 51.582,698 78.297,699 36.145,700 44.88,702 80.909,703 196.84,704 96.462,705 10.883,706 18.011,707 28.429,708 75.192,709 80.628,710 4.386,711 70.627,712 86.057,713 82.398,714 132.491,715 81.025,716 78.297,717 82.398,718 81.025,720 41.96,721 56.96,722 111.868,724 127.278,725 87.727,726 159.207,729 90.157,730 24.791,731 48.359,732 18.011,733 192.894,734 82.398,735 132.607,736 159.207,737 0.596,738 0.325,739 0.173,740 0.097,741 16,742 9,743 0.094,744 3,745 3.285,746 177.861,747 12,748 93.287,750 17.637,751 6.81,752 4.395,753 132.607,754 4.818,755 6.712,758 -2.092,759 18.011,760 374.211,761 31,762 12.086,763 -1.057,765 33.564,766 35.897,767 0.443,768 0.816,769 0.868,770 0.886,771 0.886,772 0.886,773 4.727,774 1.113,775 5.666,776 3.957,777 4.263,778 4.762,779 3.201,780 6.526,781 4.049,782 5.983,783 0.483,784 7.272,785 2.843,786 4.205,787 4.771,788 3.903,789 7.743,790 3.781,791 7.323,792 -0.162,793 8.986,794 0.766,795 5.969,796 6.959,797 5.436,798 10.747,799 5.572,800 8.693,801 -0.347,802 10.765,803 -0.43,804 6.621,805 7.638,806 6.69,807 12.749,808 6.033,809 10.088,810 -0.46,811 12.587,812 -0.891,813 7.992,814 9.415,815 8.059,816 15.404,817 7.401,818 11.502,819 -0.598,820 14.442,821 -1.043,822 8.953,823 10.42,824 9.388,825 17.724,826 8.203,827 12.931,828 -0.823,829 16.323,830 -1.368,831 10.196,832 12.015,833 10.734,834 20.281,835 9.405,836 3.407,837 -1,838 18.224,839 -2.561,840 11.294,841 13.196,842 12.074,843 22.724,844 10.371,845 2.821,846 12.431,847 20.142,848 -3,849 12.502,850 14.699,851 13.416,852 25.253,853 11.51,854 2.629,855 8.714,856 22.073,857 4.138,858 13.662,859 15.978,860 14.758,861 27.743,862 12.555,863 2.373,864 7.844,865 24.015,866 3.812,867 14.865,868 17.434,869 16.1,870 30.265,871 13.673,872 1.955,873 6.818,874 25.966,875 3.079,876 16.055,877 18.768,878 17.441,879 32.773,880 14.755,881 1.879,882 5.675,883 27.923,884 3.062,885 17.262,886 20.2,887 18.783,888 35.293,889 15.869,890 1.355,891 4.963,892 29.886,893 2.529,894 18.466,895 21.566,896 20.124,897 37.808,898 16.97,899 4905,900 11630,901 14.622,902 22.261,903 36.573,904 36.911,905 37.888,906 36.343,907 36.028,908 46.112,909 11.487,910 108.02,911 31.811,912 5.446,913 6.473,914 6.831,915 5.363,916 5.407,917 7.138,918 5.335,919 20.138,920 5.083,921 15.524,922 1.524,923 1.538,924 1.579,925 1.514,926 1.501,927 1.921,928 0.479,929 4.501,930 1.325,931 3.964,932 3.991,933 4.092,934 3.871,935 8.513,936 3.871,937 3.856,938 3.881,939 3.904,940 3.721,941 7.999,942 3.748,943 3.367,944 3.405,945 3.582,946 3.072,947 7.999,948 3.12,949 3.323,950 3.361,951 3.386,952 2.962,953 7.429,954 3.03,955 3.096,956 3.177,957 3.337,958 2.849,959 5.039,960 2.838,961 2.901,962 2.918,963 3.049,964 2.814,965 5.009,966 2.815,967 2.787,968 2.823,969 2.833,970 2.616,971 4.632,972 2.626,973 2.522,974 2.6,975 2.43,976 2.249,977 4.364,978 2.279,979 0.192,980 0.186,981 0.304,982 0.179,983 0.142,984 4.602,985 0.172,986 4.473,987 0.159,988 7.285,989 0.518,990 4.292,991 0.128,992 3.407,993 4.138,994 12.431,995 3.083,996 1.886,997 1.868,998 1.936,999 2.017,1000 1.061,1001 1.99,1002 1.774,1003 1.748,1004 1.812,1005 1.919,1006 0.87,1007 1.903,1008 1.24,1009 1.189,1010 1.573,1011 1.565,1012 0.578,1013 1.556,1014 1.092,1015 1.045,1016 1.217,1017 1.446,1018 0.222,1019 1.36,1020 0.95,1021 0.89,1022 1.019,1023 1.308,1024 0.105,1025 1.245,1026 0.849,1027 0.827,1028 1,1029 0.962,1031 1.004,1032 0.725,1033 0.688,1034 0.9,1035 0.928,1037 0.927,1038 0.422,1039 0.355,1040 0.655,1041 0.74,1043 0.728,1044 3.892,1045 5.242,1047 6.77,1049 8.383,1051 10.044,1052 1.114,1053 11.532,1054 39.072,1058 2.261,1059 4.546,1062 -4.852,1063 22.933,1064 67.965,1065 125.315,1066 133.315,1067 136.07,1068 136.07,1069 136.07,1070 65.385,1071 6.491,1072 64.11,1073 64.11,1074 12,1075 12.286,1076 3.807,1077 3,1078 45.072,1079 73,1080 71,1081 0.306,1082 148.828,1083 267.67,1084 354.9,1085 4660,1086 16.1,1087 17.198,1088 0.748,1089 0.562,1090 15.698,1091 12.922,1092 10.702,1093 0.446,1094 0.28,1095 5.842,1096 9.384,1097 5.697,1098 4.671,1099 10.068,1100 6.717,1101 10.72,1102 0.306,1103 0.146,1104 9.541,1105 5.102,1106 7.414,1107 0.181,1108 0.074,1109 7.105,1110 3.019,1111 6.335,1112 0.12,1113 0.041,1114 6.549,1115 2.197,1116 4.709,1117 0.075,1118 0.018,1119 3.984,1120 1.164,1121 0.468,1122 75.775,1123 0.262,1124 22.223,1125 0.878,1126 118,1127 651.834,1128 177.254,1129 597.598,1130 745.32,1131 548,1132 135,1133 462.443,1134 176.263,1135 466.644,1136 698.86,1137 433,1138 5}
{0 CHEMBL134576,1 2.235,2 8.091,3 3.789,4 14.358,5 72.829,6 12.575,7 0.522,8 3.515,9 3.582,10 3.461,11 3.046,12 4.964,13 3.115,14 3.999,15 4.084,16 3.977,17 3.391,18 6.06,19 3.461,20 4.145,21 4.254,22 3.943,23 3.477,24 5.781,25 3.518,26 4.166,27 4.287,28 4.114,29 3.333,30 5.916,31 3.441,32 4.175,33 4.295,34 3.911,35 3.157,36 6.429,37 3.283,38 3.831,39 3.945,40 3.648,41 3.059,42 5.69,43 3.133,44 3.748,45 3.879,46 3.571,47 3.031,48 5.391,49 3.091,50 3.767,51 3.896,52 3.688,53 2.876,54 5.532,55 2.974,56 0.413,57 0.625,58 0.908,59 2.154,60 63.865,61 1.324,62 0.938,63 1.226,64 2.053,65 3.648,66 149.928,67 2.359,68 0.845,69 0.926,70 9.375,71 4.417,72 103.781,73 3.127,74 1.01,75 1.011,76 10.644,77 4.695,78 148.688,79 3.694,80 1.372,81 0.858,82 13.514,83 4.547,84 229.849,85 2.908,86 0.89,87 0.676,88 5.936,89 3.599,90 139.653,91 2.401,92 0.65,93 0.703,94 4.039,95 3.026,96 87.501,97 2.008,98 0.862,99 0.673,100 9.243,101 3.492,102 130.305,103 2.162,104 51,105 34,106 0.432,107 0.767,108 0.823,109 0.842,110 0.842,111 0.842,112 3.147,113 0.825,114 -3.92,115 -3.87,116 -3.67,117 42.9,124 1,125 3,126 1,127 3,128 1,131 1,134 1,140 1,141 3,143 3,144 3,145 7,153 2,154 2,155 2,156 4,157 5,168 7,170 1,171 1,174 3,183 6,185 2,194 612,195 13.643,196 13.643,197 13.643,198 13.643,199 13.643,200 12.012,201 17.334,202 7.796,203 14.374,204 11.356,205 11.356,206 11.356,207 11.356,208 11.356,209 8.833,210 22.496,211 3.739,212 12.702,213 2.573,214 0.84,215 0.554,216 0.456,217 0.456,218 0.456,219 3.794,220 2,223 1,224 1,225 361,226 3.606,228 153.133,229 1.19,230 51.662,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 52.667,241 178,242 4.599,243 4.473,244 7.285,245 4.291,246 3.406,247 4.134,248 12.427,249 3.082,250 4.176,251 3.573,252 6.087,253 3.751,254 2.82,255 3.812,256 1.058,257 8.71,258 2.583,259 3.886,260 3.131,261 5.654,262 3.535,263 2.621,264 3.067,266 7.835,267 2.334,268 3.654,269 2.683,270 5.105,271 3.177,272 2.286,273 3.018,275 6.234,276 2.007,277 3.275,278 2.623,279 4.879,280 2.853,281 1.939,282 2.523,283 5.588,284 1.708,285 3.232,286 2.267,287 4.618,288 2.707,289 1.879,290 2.481,291 4.963,292 1.441,293 2.77,294 2.052,295 4.428,296 2.276,297 1.32,298 1.785,299 3.859,300 1.232,301 2.572,302 1.289,303 3.846,304 2.025,305 1.105,306 1.594,307 2.836,308 1.005,309 1.207,310 0.543,311 2.963,312 0.863,313 -0.066,314 -0.079,315 -0.176,316 -0.06,317 1.156,318 0.51,319 2.703,320 0.665,321 -0.309,322 -0.421,323 -0.768,324 -0.229,325 1,326 0.51,327 2.382,328 0.473,329 -0.347,330 -0.445,331 -0.891,332 -0.266,333 0.702,334 0.271,335 2.359,336 0.205,337 -0.586,338 -0.689,339 -1.357,340 -0.362,341 0.642,342 0.191,343 2.173,344 0.162,345 -0.76,346 -0.972,347 -2.352,348 -0.694,349 0.153,350 0.173,351 2,352 -0.241,353 -1,354 -1,355 -2.963,356 -0.7,357 0.018,358 -0.363,359 2,360 -0.3,361 -1,362 -1,364 -3,365 -0.7,366 10.152,367 0.461,368 0.922,369 0.042,370 29.25,371 1.33,372 14.5,373 0.659,374 14.75,375 0.67,376 15.561,377 0.707,378 24.648,379 0.88,380 23.985,381 1.09,382 6.039,383 0.275,384 4.124,385 0.187,386 0.291,387 0.049,388 0.345,389 3,390 0.764,391 0.967,392 0.506,393 0.751,394 0.753,395 0.675,396 0.488,397 0.725,398 0.564,399 0.718,400 0.456,401 0.804,402 0.828,403 0.798,404 1.2,405 1.092,406 0.76,407 1.208,408 0.958,409 1.148,410 0.598,411 1.043,412 1.026,413 0.962,414 0.972,415 0.73,416 1.197,417 0.789,418 1.06,419 0.97,420 1.138,421 1.039,422 0.898,423 0.895,424 1.201,425 0.987,426 1.118,427 1.143,428 0.869,429 0.813,430 0.978,431 0.87,432 1.703,433 1.505,434 1.645,435 1.28,436 1.671,437 1.142,438 7.5,439 0.012,440 2.667,441 2.5,442 1.804,443 0.847,444 0.407,445 0.384,446 0.345,447 0.148,448 4179,449 24748,450 1.883,451 21.4,453 3,455 1,456 2,459 1.649,460 1.682,461 3.005,462 0.528,463 1,465 1,466 62.567,467 2.235,468 3.968,469 4.253,470 4.352,471 4.352,472 4.352,473 2.431,474 3.664,475 4.435,476 3.177,477 733.812,478 7.637,479 8049.35,480 1,481 1,482 1,483 1,484 134.606,485 1.78,486 4.322,487 0.326,488 0.004,489 0.078,490 0.076,491 0.055,492 0.029,493 0.019,494 0.018,495 0.018,496 0.011,497 0.634,498 0.5,499 1,500 0.931,501 99.999,502 -0.132,503 -0.105,504 -0.035,505 0.032,506 -0.149,507 0.059,508 0.354,509 0.328,510 0.038,511 0.134,512 0.382,513 -0.054,514 -0.108,515 -0.028,516 -0.293,517 -0.209,518 -0.077,519 -0.282,520 -0.072,521 -0.311,522 0.302,523 -0.128,524 -0.117,525 0.049,526 0.24,527 0.379,528 -0.263,529 0.206,530 0.253,531 -0.036,532 -0.124,533 -0.016,534 -0.044,535 0.078,536 -0.149,537 0.003,538 -0.284,539 -0.282,540 0.008,541 0.104,542 -0.161,543 0.147,544 -0.5,545 -0.287,546 -0.297,547 -0.154,548 -0.499,549 -0.105,550 6.181,551 4.957,552 0.545,553 14.909,554 1.096,555 1.16,556 2.688,557 7.226,558 0.732,559 3.178,560 3.555,561 3.689,562 3.951,563 4.111,564 4.025,565 3.932,566 3.912,567 3.989,568 3.871,569 5.172,570 0.764,571 352.11,572 3.178,573 4.745,574 5.565,575 6.466,576 7.31,577 8.208,578 9.062,579 9.957,580 10.818,581 11.711,582 10.7,586 1,588 2,589 4,590 2,593 6,594 12,596 1,602 1,604 2,605 28,606 13,607 1,608 23,609 29,610 12,611 10,612 3,613 3,614 1,615 2,616 2,617 2,618 1,620 1,622 11,623 1,624 1,625 1,626 1,629 1,630 3,631 6,632 8,633 2,634 10,635 2,637 3,638 2,641 1,643 2,644 2,647 2,648 3,649 22,651 1,653 1,657 1,659 5,660 7.1,661 1,662 1,665 13.083,666 5.064,667 4.639,668 1.383,670 2.259,671 1.353,672 0.933,673 4.683,674 8.66,675 3.434,676 4.06,677 4.543,678 5.098,679 5.561,680 5.635,681 5.642,682 5.82,683 6.135,684 6.347,685 1,686 33,687 8.906,688 4.656,689 8.893,690 13.765,691 10.778,692 3.393,693 74.639,695 47.084,696 65.641,697 51.582,698 78.297,699 67.828,700 44.88,702 65.641,703 193.21,704 96.462,706 18.011,707 28.429,708 117.875,709 69.628,711 35.313,712 86.057,713 47.084,714 117.222,715 112.709,716 78.297,717 47.084,718 112.709,720 37.574,721 46.077,722 111.868,724 91.965,725 119.41,726 143.938,729 54.844,730 20.405,731 37.476,732 18.011,733 224.577,734 47.084,735 164.29,736 143.938,737 0.603,738 0.32,739 0.172,740 0.098,741 16,742 9,743 0.069,744 2,745 3.195,746 167.485,747 12,748 87.353,750 16.653,751 6.186,752 4.157,753 164.29,754 4.579,755 6.031,758 -2.994,759 60.694,760 355.313,761 30,762 11.957,763 -1.12,765 30.68,766 32.482,767 0.465,768 0.825,769 0.885,770 0.905,771 0.905,772 0.905,773 4.7,774 1.105,775 5.638,776 3.859,777 4.234,778 4.745,779 3.139,780 6.5,781 4.026,782 5.965,783 -0.066,784 7.245,785 2.836,786 4.205,787 4.771,788 3.903,789 7.719,790 3.781,791 7.308,792 -0.309,793 8.96,794 -0.176,795 5.943,796 6.946,797 5.431,798 10.725,799 5.555,800 8.679,801 -0.347,802 10.741,803 -0.768,804 6.608,805 7.627,806 6.69,807 12.732,808 6.023,809 10.074,810 -0.586,811 12.565,812 -0.891,813 7.971,814 9.402,815 8.059,816 15.392,817 7.388,818 11.487,819 -0.76,820 14.422,821 -1.357,822 8.938,823 10.407,824 9.388,825 17.716,826 8.194,827 12.917,828 -1,829 16.305,830 -2.352,831 10.18,832 12.002,833 10.734,834 20.274,835 9.396,836 3.406,837 -1,838 18.209,839 -2.963,840 11.282,841 13.182,842 12.074,843 22.719,844 10.364,845 2.82,846 12.427,847 20.129,848 -3,849 12.49,850 14.687,851 13.416,852 25.248,853 11.503,854 2.621,855 8.71,856 22.062,857 4.134,858 13.652,859 15.965,860 14.758,861 27.739,862 12.549,863 2.286,864 7.835,865 24.006,866 3.812,867 14.856,868 17.421,869 16.1,870 30.26,871 13.667,872 1.939,873 6.234,874 25.958,875 3.067,876 16.047,877 18.755,878 17.441,879 32.768,880 14.75,881 1.879,882 5.588,883 27.917,884 3.018,885 17.254,886 20.186,887 18.783,888 35.288,889 15.864,890 1.32,891 4.963,892 29.881,893 2.523,894 18.459,895 21.551,896 20.124,897 37.803,898 16.965,899 4338,900 10669,901 13.929,902 20.5,903 35.459,904 35.572,905 36.512,906 35.109,907 34.753,908 44.829,909 9.767,910 104.9,911 30.785,912 5.443,913 6.473,914 6.57,915 5.361,916 5.406,917 7.134,918 5.335,919 20.134,920 5.082,921 14.982,922 1.542,923 1.547,924 1.587,925 1.526,926 1.511,927 1.949,928 0.425,929 4.561,930 1.338,931 3.961,932 3.989,933 4.092,934 3.871,935 8.513,936 3.87,937 3.853,938 3.879,939 3.9,940 3.718,941 7.999,942 3.745,943 3.325,944 3.361,945 3.582,946 3.029,947 7.999,948 3.085,949 3.275,950 3.315,951 3.385,952 2.891,953 7.429,954 2.98,955 2.901,956 2.918,957 3.3,958 2.849,959 6.482,960 2.815,961 2.862,962 2.897,963 2.989,964 2.692,965 5.023,966 2.706,967 2.627,968 2.67,969 2.572,970 2.323,971 4.763,972 2.365,973 2.323,974 2.395,975 2.351,976 1.896,977 4.632,978 1.99,979 0.2,980 0.194,981 0.317,982 0.187,983 0.148,984 4.599,985 0.18,986 4.473,987 0.166,988 7.285,989 0.54,990 4.291,991 0.134,992 3.406,993 4.134,994 12.427,995 3.082,996 1.886,997 1.867,998 1.935,999 2.014,1000 1.061,1001 1.989,1002 1.77,1003 1.745,1004 1.805,1005 1.915,1006 0.863,1007 1.898,1008 1.134,1009 1.1,1010 1.234,1011 1.45,1012 0.222,1013 1.385,1014 0.991,1015 0.952,1016 1.026,1017 1.417,1018 0.105,1019 1.292,1020 0.849,1021 0.827,1022 1,1023 1.034,1025 1.017,1026 0.782,1027 0.751,1028 0.961,1029 0.962,1031 1.004,1032 0.501,1033 0.452,1034 0.8,1035 0.839,1037 0.831,1038 0.073,1040 0.37,1041 0.546,1043 0.487,1044 3.85,1045 5.209,1047 6.739,1049 8.354,1051 10.015,1053 11.461,1054 38.496,1056 8.956,1058 2.202,1062 -4.931,1063 21.406,1064 62.567,1065 111.096,1066 119.096,1067 121.851,1068 121.851,1069 121.851,1070 65.392,1071 6.4,1072 75.11,1073 75.11,1074 12,1075 12.244,1076 3.807,1077 3,1078 42.05,1079 68,1080 56,1081 0.31,1082 139.236,1083 250.37,1084 331.495,1085 4181,1086 17.9,1087 16.491,1088 0.75,1089 0.544,1090 14.991,1091 11.961,1092 10.164,1093 0.442,1094 0.275,1095 5.479,1096 8.925,1097 5.389,1098 4.382,1099 9.53,1100 6.328,1101 10.551,1102 0.31,1103 0.145,1104 9.372,1105 4.915,1106 6.99,1107 0.179,1108 0.073,1109 6.681,1110 2.846,1111 6.088,1112 0.119,1113 0.041,1114 6.335,1115 2.105,1116 4.622,1117 0.077,1118 0.018,1119 3.711,1120 1.1,1121 0.473,1122 72.009,1123 0.268,1124 21.331,1125 0.892,1126 114,1127 636.248,1128 172.479,1129 587.51,1130 728.56,1131 536,1132 130,1133 450.927,1134 169.934,1135 453.932,1136 680.61,1137 423,1138 5}
{0 CHEMBL134603,1 2.217,2 8.783,3 5.056,4 25.558,5 81.492,6 15,7 0.5,8 3.485,9 3.538,10 3.59,11 3.113,12 4.926,13 3.159,14 3.991,15 4.059,16 4.14,17 3.466,18 6.044,19 3.521,20 4.131,21 4.203,22 4.348,23 3.619,24 5.853,25 3.625,26 4.148,27 4.247,28 4.216,29 3.423,30 5.915,31 3.49,32 4.132,33 4.235,34 4.134,35 3.205,36 6.353,37 3.324,38 3.726,39 3.797,40 3.808,41 3.117,42 5.552,43 3.168,44 3.707,45 3.809,46 3.779,47 3.12,48 5.44,49 3.158,50 3.736,51 3.836,52 3.889,53 3.02,54 5.525,55 3.074,56 0.428,57 0.588,58 3.673,59 1.6,60 61.13,61 0.995,62 0.956,63 1.183,64 6.494,65 3.177,66 150.806,67 1.711,68 0.882,69 0.878,70 17.522,71 3.953,72 104.776,73 2.496,74 1.056,75 0.956,76 19.55,77 4.522,78 142.328,79 3.36,80 1.22,81 0.799,82 16.271,83 5.023,84 191.106,85 2.677,86 0.75,87 0.587,88 7.862,89 2.964,90 104.375,91 1.778,92 0.653,93 0.661,94 9.877,95 2.773,96 74.855,97 2.047,98 0.867,99 0.632,100 10.994,101 3.428,102 126.186,103 1.847,104 66,105 36,106 0.432,107 0.737,108 0.815,109 0.835,110 0.835,111 0.835,112 3.189,113 0.895,114 -4.79,115 -4.7,116 -4.41,117 44.4,124 1,125 2,126 1,127 4,128 1,131 1,134 1,140 1,141 5,143 1,144 3,145 3,151 4,153 2,154 2,155 2,156 2,157 6,163 1,168 7,172 1,174 2,176 1,180 1,183 4,186 2,189 2,194 686,195 14.195,196 14.195,197 14.195,198 14.195,199 14.195,200 12.484,201 16.309,202 7.945,203 15.093,204 11.781,205 11.781,206 11.781,207 11.781,208 11.781,209 9.186,210 20.941,211 3.758,212 13.579,213 2.538,214 0.973,215 0.574,216 0.472,217 0.472,218 0.472,219 3.835,220 3,221 1,223 1,224 1,225 409,226 3.674,228 161.969,229 1.221,230 52.911,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 54.333,241 202,242 4.6,243 4.473,244 7.285,245 4.29,246 3.406,247 4.139,248 12.427,249 3.077,250 4.365,251 3.584,252 6.314,253 3.879,254 2.992,255 4.052,256 1.058,257 9.333,258 2.621,259 3.914,260 3.48,261 6.075,262 3.599,263 2.684,264 3.104,266 8.608,267 2.367,268 3.678,269 2.921,270 5.304,271 3.171,272 2.327,273 3.031,275 6.709,276 1.917,277 3.438,278 2.623,279 5.048,280 2.979,281 2.084,282 2.74,283 6.026,284 1.746,285 3.232,286 2.413,287 4.879,288 2.707,289 1.879,290 2.481,291 5.225,292 1.441,293 2.788,294 2.15,295 4.464,296 2.28,297 1.346,298 1.808,299 3.939,300 1.194,301 2.572,302 1.755,303 3.872,304 2.026,305 1.111,306 1.597,307 2.87,308 1.004,309 1.676,310 1.29,311 3.156,312 1.186,313 0.486,314 0.546,315 1.131,316 0.27,317 1.169,318 0.583,319 2.852,320 0.671,321 -0.129,322 -0.153,323 -0.32,324 -0.088,325 1,326 0.51,327 2.653,328 0.477,329 -0.347,330 -0.445,331 -0.898,332 -0.229,333 0.936,334 0.51,335 2.457,336 0.473,337 -0.427,338 -0.552,339 -1.023,340 -0.328,341 0.642,342 0.38,343 2.307,344 0.137,345 -0.759,346 -0.972,347 -2.352,348 -0.632,349 0.166,350 0.173,351 2,352 -0.3,353 -1,354 -1,355 -2.775,356 -0.68,357 0.018,358 -0.231,359 2,360 -0.3,361 -1,362 -1,364 -3,365 -0.7,366 11.248,367 0.489,368 0.995,369 0.043,370 29.5,371 1.283,372 14,373 0.609,374 15.5,375 0.674,376 18.902,377 0.822,378 25.352,379 0.939,380 23.778,381 1.034,382 5.984,383 0.26,384 4.607,385 0.2,386 0.36,387 0.044,388 0.356,389 3,390 0.74,391 0.951,392 0.518,393 0.645,394 0.711,395 0.62,396 0.55,397 0.7,398 0.613,399 0.662,400 0.491,401 0.745,402 0.802,403 0.775,404 0.845,405 0.838,406 0.749,407 1.067,408 1.07,409 1.116,410 0.897,411 1.082,412 1.094,413 1.161,414 1.052,415 0.766,416 1.086,417 0.97,418 1.237,419 1.092,420 0.989,421 0.947,422 0.94,423 1.08,424 1.044,425 1.161,426 1.037,427 1.157,428 0.926,429 0.912,430 0.842,431 0.942,432 1.886,433 1.492,434 1.571,435 1.075,436 1.839,437 1.047,438 7.5,439 0.041,440 3.556,441 2.563,442 1.996,443 0.903,444 0.487,445 0.439,446 0.395,447 0.218,448 4700,449 31553,450 1.865,451 14.8,453 2,455 1,456 1,459 1.661,460 1.653,461 3.094,462 -0.069,466 59.853,467 2.217,468 3.782,469 4.18,470 4.282,471 4.282,472 4.282,473 2.436,474 3.762,475 4.5,476 3.246,477 821.15,478 7.762,479 9268.06,481 1,484 128.382,485 1.762,486 4.376,487 0.313,488 0.006,489 0.099,490 0.069,491 0.059,492 0.03,493 0.021,494 0.019,495 0.019,496 0.013,497 0.647,498 0.5,499 1,500 0.923,501 106.401,502 -0.086,503 -0.112,504 -0.014,505 -0.007,506 -0.099,507 0.02,508 0.314,509 0.325,510 0.01,511 0.125,512 0.372,513 -0.028,514 -0.043,515 -0.025,516 0.052,517 0.005,518 -0.041,519 -0.138,520 -0.164,521 -0.293,522 0.029,523 -0.128,524 -0.165,525 -0.027,526 0.152,527 0.373,528 -0.177,529 0.137,530 0.109,531 0.001,532 -0.077,533 -0.076,534 -0.079,535 -0.17,536 -0.121,537 -0.163,538 -0.179,539 -0.292,540 -0.007,541 0.007,542 -0.033,543 0.173,544 -0.683,545 -0.239,546 -0.41,547 0.087,548 -0.63,549 0.042,550 6.13,551 5.047,552 0.522,553 15.921,554 1.111,555 1.154,556 3.556,557 12.648,558 0.806,559 3.219,560 3.611,561 3.784,562 3.989,563 4.174,564 4.094,565 4.043,566 3.989,567 4.094,568 4.06,569 5.369,570 0.828,571 404.99,572 3.219,573 4.796,574 5.631,575 6.532,576 7.391,577 8.288,578 9.155,579 10.048,580 10.92,581 11.811,582 11.1,586 1,588 2,589 3,590 2,593 7,594 12,596 1,604 4,605 27,606 13,607 1,608 24,609 28,610 12,611 10,612 4,613 2,614 1,615 2,616 2,617 4,618 1,620 1,622 11,623 1,624 1,625 1,626 1,630 3,631 4,632 7,633 1,634 11,635 4,637 3,638 1,641 1,643 2,644 2,647 4,648 3,649 23,653 1,657 1,659 7,660 3.7,662 1,665 13.917,666 5.067,667 4.861,668 1.363,670 2.265,671 1.348,672 0.964,673 5.386,674 8.767,675 3.466,676 4.111,677 4.62,678 5.139,679 5.624,680 5.71,681 5.76,682 5.878,683 6.219,684 6.472,685 0.833,686 37,687 9.205,688 4.739,689 8.827,690 14.411,691 11.331,692 3.327,693 76.528,695 35.313,696 62.308,697 51.582,698 156.595,699 25.145,700 44.88,702 62.308,703 217.053,704 96.462,706 18.011,707 18.952,708 75.192,709 73.129,710 41.792,711 23.542,712 125.205,713 35.313,714 113.89,715 70.025,716 156.595,717 35.313,718 70.025,720 40.217,721 40.101,722 151.017,723 39.149,724 80.194,725 76.727,726 218.902,729 43.073,730 26.548,731 28,732 18.011,733 260.191,734 35.313,735 121.607,736 218.902,737 0.611,738 0.34,739 0.167,740 0.095,741 17,742 10,743 0.071,744 2,745 3.244,746 179.443,747 12,748 91.287,750 18.238,751 6.793,752 4.251,753 121.607,754 3.141,755 6.437,758 -2.734,759 18.011,760 375.823,761 31,762 12.047,763 -1.108,765 30,766 31.16,767 0.466,768 0.795,769 0.879,770 0.901,771 0.901,772 0.901,773 4.745,774 1.111,775 5.714,776 3.939,777 4.29,778 4.796,779 3.139,780 6.594,781 4.029,782 6.02,783 0.486,784 7.341,785 2.87,786 4.29,787 4.879,788 3.903,789 7.83,790 3.791,791 7.374,792 -0.129,793 9.076,794 1.131,795 6.023,796 7.029,797 5.431,798 10.845,799 5.559,800 8.759,801 -0.347,802 10.871,803 -0.32,804 6.723,805 7.786,806 6.69,807 12.837,808 6.039,809 10.167,810 -0.427,811 12.704,812 -0.898,813 8.074,814 9.532,815 8.059,816 15.493,817 7.4,818 11.593,819 -0.759,820 14.565,821 -1.023,822 9.059,823 10.602,824 9.388,825 17.793,826 8.211,827 13.034,828 -1,829 16.448,830 -2.352,831 10.294,832 12.179,833 10.734,834 20.344,835 9.41,836 3.406,837 -1,838 18.348,839 -2.775,840 11.4,841 13.41,842 12.074,843 22.771,844 10.379,845 2.992,846 12.427,847 20.261,848 -3,849 12.602,850 14.907,851 13.416,852 25.292,853 11.515,854 2.684,855 9.333,856 22.186,857 4.139,858 13.761,859 16.222,860 14.758,861 27.772,862 12.559,863 2.327,864 8.608,865 24.121,866 4.052,867 14.958,868 17.678,869 16.1,870 30.287,871 13.674,872 2.084,873 6.709,874 26.064,875 3.104,876 16.143,877 19.038,878 17.441,879 32.788,880 14.753,881 1.879,882 6.026,883 28.013,884 3.031,885 17.344,886 20.473,887 18.783,888 35.304,889 15.864,890 1.346,891 5.225,892 29.968,893 2.74,894 18.542,895 21.857,896 20.124,897 37.815,898 16.961,899 4889,900 12774,901 14.334,902 21.761,903 37.274,904 38.388,905 38.793,906 37.006,907 36.631,908 46.994,909 9.767,910 112.536,911 31.276,912 5.444,913 6.473,914 6.57,915 5.36,916 5.406,917 7.139,918 5.335,919 20.134,920 5.077,921 16.575,922 1.553,923 1.6,924 1.616,925 1.542,926 1.526,927 1.958,928 0.407,929 4.689,930 1.303,931 3.964,932 3.988,933 4.194,934 3.887,935 8.513,936 3.882,937 3.857,938 3.877,939 4.004,940 3.732,941 7.999,942 3.755,943 3.328,944 3.361,945 3.582,946 3.065,947 7.999,948 3.104,949 3.261,950 3.301,951 3.576,952 2.917,953 7.429,954 2.991,955 2.901,956 2.918,957 3.425,958 2.849,959 5.114,960 2.815,961 2.853,962 2.861,963 3.292,964 2.755,965 5.089,966 2.75,967 2.582,968 2.631,969 3.088,970 2.365,971 4.632,972 2.378,973 2.267,974 2.33,975 2.786,976 1.908,977 4.442,978 1.987,979 0.192,980 0.186,981 0.304,982 0.179,983 0.142,984 4.6,985 0.172,986 4.473,987 0.159,988 7.285,989 0.518,990 4.29,991 0.128,992 3.406,993 4.139,994 12.427,995 3.077,996 1.882,997 1.868,998 1.903,999 2.003,1000 1.058,1001 1.978,1002 1.771,1003 1.747,1004 1.785,1005 1.896,1006 0.866,1007 1.883,1008 1.125,1009 1.099,1010 1.152,1011 1.439,1012 0.145,1013 1.356,1014 0.986,1015 0.946,1016 1.018,1017 1.362,1018 0.105,1019 1.268,1020 0.849,1021 0.827,1022 1,1023 0.962,1025 1.004,1026 0.751,1027 0.744,1028 0.713,1029 0.883,1031 0.884,1032 0.462,1033 0.419,1034 0.594,1035 0.728,1037 0.722,1038 0.047,1040 0.36,1041 0.439,1043 0.435,1044 3.892,1045 5.263,1047 6.81,1049 8.441,1051 10.117,1053 22.656,1054 38.76,1058 2.209,1062 -4.88,1063 22.346,1064 59.853,1065 102.117,1066 112.872,1067 115.627,1068 115.627,1069 115.627,1070 72.523,1071 6.501,1072 54.88,1073 54.88,1074 12,1075 12.343,1076 3.807,1077 3,1078 45.147,1079 74,1080 66,1081 0.306,1082 151.905,1083 272,1084 362.409,1085 4724,1086 25.9,1087 17.361,1088 0.755,1089 0.596,1090 16.861,1091 13.704,1092 10.591,1093 0.441,1094 0.298,1095 5.632,1096 8.932,1097 5.463,1098 4.417,1099 10.535,1100 7.161,1101 10.919,1102 0.303,1103 0.157,1104 10.407,1105 5.637,1106 7.92,1107 0.184,1108 0.091,1109 8.899,1110 3.893,1111 6.112,1112 0.115,1113 0.043,1114 6.68,1115 2.298,1116 4.847,1117 0.076,1118 0.021,1119 4.294,1120 1.362,1121 0.468,1122 80.347,1123 0.264,1124 22.177,1125 0.873,1126 120,1127 664.505,1128 208.493,1129 675.55,1130 829.11,1131 616,1132 139,1133 477.623,1134 212.215,1135 501.847,1136 757.45,1137 467,1138 6.046}
{0 CHEMBL134773,1 2.072,2 7.833,3 2.814,4 7.921,5 61.173,6 9.713,7 0.333,8 3.479,9 3.594,10 3.218,11 2.915,12 4.757,13 2.951,14 4.049,15 4.226,16 3.711,17 3.208,18 5.946,19 3.246,20 4.171,21 4.392,22 3.641,23 3.289,24 5.597,25 3.294,26 4.185,27 4.384,28 3.696,29 3.182,30 5.742,31 3.252,32 4.178,33 4.371,34 3.884,35 3.007,36 6.281,37 3.12,38 3.803,39 4.008,40 3.175,41 2.853,42 5.24,43 2.847,44 3.774,45 3.989,46 2.881,47 2.771,48 5.14,49 2.742,50 3.639,51 3.867,52 2.751,53 2.606,54 5.005,55 2.563,56 0.251,57 0.606,58 3.265,59 2.494,60 42.135,61 2.64,62 0.933,63 1.119,64 11.003,65 3.871,66 151.914,67 4.604,68 0.738,69 0.817,70 14.645,71 4.605,72 100.225,73 6.171,74 0.823,75 0.959,76 15.2,77 4.649,78 118.974,79 5.097,80 1.342,81 0.666,82 18.829,83 3.854,84 197.054,85 4.032,86 0.616,87 0.526,88 10.655,89 3.136,90 96.19,91 3.513,92 0.681,93 0.517,94 10.939,95 3.191,96 112.81,97 3.062,98 0.595,99 0.446,100 11.143,101 2.851,102 91.388,103 2.782,104 45,105 25,106 0.411,107 0.708,108 0.83,109 0.857,110 0.857,111 0.857,112 2.96,113 0.936,114 -3.5,115 -3.48,116 -3.32,117 34.5,118 1,119 2,121 1,124 1,126 1,128 1,131 1,134 1,139 2,140 1,141 5,143 1,144 2,145 1,150 1,153 2,154 1,155 2,156 1,157 2,160 1,165 1,168 4,172 1,174 1,176 2,183 2,186 1,193 1,194 404,195 11.309,196 11.309,197 11.309,198 11.309,199 11.309,200 10.479,201 11.995,202 6.818,203 11.882,204 8.838,205 8.838,206 8.838,207 8.838,208 8.838,209 7.489,210 12.182,211 3.199,212 9.88,213 2.786,214 1.286,215 0.673,216 0.535,217 0.535,218 0.535,219 3.58,221 1,223 1,224 1,225 272,226 3.808,228 65.62,229 1.204,230 40.312,232 1,233 1,234 1,235 1,236 1,237 1,238 1,239 1,240 43.333,241 141,242 4.597,243 4.473,244 7.284,245 4.288,246 3.405,247 4.13,248 12.425,249 3.071,250 3.898,251 3.556,252 6.059,253 3.6,254 2.675,255 3.061,256 1.058,257 8.546,258 2.409,259 3.65,260 2.919,261 5.09,262 3.112,263 2.284,264 3.011,266 6.179,267 1.839,268 2.912,269 2.171,270 4.541,271 2.676,272 1.725,273 1.971,275 4.316,276 1.618,277 2.597,278 1.781,279 3.951,280 2.318,281 1.367,282 1.62,283 3.168,284 1.246,285 2.552,286 1.29,287 3.495,288 2.034,289 1.126,290 1.532,291 2.665,292 1.011,293 1.745,294 1.043,295 2.919,296 1.601,297 0.619,298 0.667,299 1.035,300 0.598,301 1.167,302 0.51,303 2.608,304 0.695,305 -0.163,306 -0.191,307 -0.347,308 -0.118,309 0.761,310 0.51,311 2.339,312 0.554,313 -0.439,314 -0.515,315 -0.764,316 -0.413,317 0.642,318 0.482,319 2,320 0.137,321 -0.759,322 -0.97,323 -2.346,324 -0.645,325 0.102,326 0.033,327 2,328 -0.213,329 -1,330 -1,331 -2.449,332 -0.7,334 -0.303,335 2,336 -0.3,337 -1,338 -1,339 -3,340 -0.7,342 -0.732,343 1.73,344 -0.3,345 -1.171,346 -1.376,347 -3,348 -0.922,349 -0.105,350 -1,351 1.344,352 -0.43,353 -1.26,354 -1.561,355 -3.095,356 -1.246,357 -0.482,358 -1.417,359 1.108,360 -0.733,361 -1.68,362 -1.932,363 -0.805,364 -3.819,365 -1.613,366 8.105,367 0.45,368 0.642,369 0.036,370 19.25,371 1.069,372 7.5,373 0.417,374 11.75,375 0.653,376 14.414,377 0.801,378 21.895,379 0.755,380 15.193,381 0.844,382 3.84,383 0.213,384 4.519,385 0.251,386 0.297,387 0.062,388 0.247,389 3,390 0.623,391 1.189,392 0.537,393 1.144,394 0.617,395 1.009,396 0.386,397 0.766,398 0.522,399 0.97,400 0.372,401 0.937,402 0.531,403 0.773,404 0.478,405 0.846,406 0.551,407 0.786,408 0.945,409 1.148,410 0.723,411 1,412 0.985,413 0.841,414 0.792,415 0.827,416 0.719,417 0.846,418 0.944,419 0.772,420 0.924,421 0.934,422 0.861,423 1.049,424 0.975,425 1.095,426 1.427,427 1.107,428 1.285,429 0.989,430 1.436,431 1.207,432 1.461,433 1.253,434 1.567,435 1.19,436 1.365,437 1.326,438 5,440 2.444,441 1.688,442 1.431,443 0.674,444 0.224,445 0.168,446 0.132,447 0.036,448 2180,449 10646,450 1.805,451 37.9,452 5,453 2,455 1,456 1,458 2,459 1.592,460 1.624,461 2.897,462 -0.061,463 1,464 1,465 1,466 60.099,467 2.072,468 3.572,469 4.185,470 4.323,471 4.323,472 4.323,473 2.441,474 3.419,475 4.133,476 3.046,477 466.056,478 7.045,479 4402.92,481 1,483 1,484 140.881,485 1.772,486 4.03,487 0.278,489 0.098,490 0.068,491 0.057,492 0.029,493 0.017,494 0.017,495 0.016,496 0.007,497 0.587,498 0.67,499 1,500 2.039,501 75.88,502 -0.061,503 -0.189,504 -0.002,505 -0.11,506 -0.075,507 -0.051,508 0.452,509 0.249,510 0.22,511 -0.018,512 0.449,513 0.004,514 0.149,515 -0.038,516 0.308,517 0.071,518 0.11,519 0.252,520 -0.064,521 -0.326,522 0.157,523 -0.093,524 -0.076,525 0.118,526 0.469,527 0.246,528 0.345,529 0.062,530 0.367,531 0.093,532 -0.083,533 -0.098,534 0.005,535 -0.11,536 -0.112,537 -0.103,538 -0.395,539 -0.085,540 -0.38,541 -0.028,542 -0.371,543 -0.249,544 -0.394,545 -0.168,546 -0.461,547 -0.182,548 -0.341,549 -0.344,550 5.996,551 4.648,552 0.333,553 12.321,554 1.062,555 1.178,556 2.27,557 5.153,558 0.645,559 2.944,560 3.258,561 3.367,562 3.555,563 3.738,564 3.526,565 3.367,566 2.996,567 2.944,568 2.398,569 4.639,570 0.652,571 281.69,572 2.944,573 4.466,574 5.263,575 6.142,576 6.98,577 7.864,578 8.72,579 9.605,580 10.471,581 11.355,582 10.3,586 1,588 2,589 1,590 2,593 3,594 6,596 1,604 1,605 29,606 7,608 18,609 29,610 10,611 4,614 1,615 1,616 1,617 1,618 2,620 1,621 2,622 5,623 5,624 1,625 1,626 1,629 1,630 3,631 11,632 7,633 1,634 8,635 1,637 3,638 1,641 1,643 1,644 1,646 1,647 1,648 3,649 18,652 3,653 1,657 1,659 4,660 3.4,662 1,665 11.083,666 5.471,667 4.056,668 1.86,670 1.322,671 1.234,672 0.906,673 5.06,674 6.978,675 3.135,676 3.651,677 4.099,678 4.584,679 5.059,680 5.049,681 5.024,682 4.563,683 4.79,684 4.15,685 1,686 25,687 7.273,688 3.628,689 8.835,690 11.575,691 8.731,692 3.335,693 60.028,695 117.711,696 46.097,697 51.582,698 39.149,699 25.145,700 44.88,702 46.097,703 182.005,704 96.462,705 8.825,706 25.186,708 75.192,709 59.87,710 41.792,711 105.94,712 7.76,713 117.711,714 97.679,715 70.025,716 39.149,717 94.169,718 93.567,720 56.217,721 7.89,722 33.571,723 39.149,724 162.591,725 76.727,726 85.245,729 125.471,730 20.465,731 17.873,732 18.011,733 142.745,734 117.711,735 121.607,736 85.245,737 0.578,738 0.307,739 0.156,740 0.098,741 10,742 6,743 0.138,744 4,745 2.832,746 117.111,747 6,748 70.304,750 14.878,751 6.123,752 4.219,753 121.607,754 0.777,755 6.458,758 -2.494,759 18.011,760 324.564,761 22,762 11.564,763 -0.854,765 30.796,766 34.159,767 0.427,768 0.735,769 0.862,770 0.89,771 0.89,772 0.89,773 4.376,774 -0.163,775 5.323,776 1.035,777 3.932,778 4.331,779 3.139,780 6.188,781 3.729,782 5.603,783 -0.439,784 6.936,785 -0.347,786 3.892,787 4.35,788 3.903,789 7.535,790 3.456,791 6.936,792 -0.759,793 8.677,794 -0.764,795 5.645,796 6.471,797 5.431,798 10.536,799 5.241,800 8.308,801 -1,802 10.492,803 -2.346,804 6.365,805 7.224,806 6.69,807 12.642,808 5.759,809 9.713,810 -1,811 12.355,812 -2.449,813 7.733,814 8.945,815 8.059,816 15.305,817 7.113,818 11.142,819 -1.171,820 14.248,821 -3,822 8.753,823 10.024,824 9.388,825 17.671,826 7.98,827 12.589,828 -1.26,829 16.164,830 -3,831 10.005,832 11.585,833 10.734,834 20.236,835 9.175,836 3.405,837 -1.68,838 18.095,839 -3.095,840 11.144,841 12.825,842 12.074,843 22.697,844 10.189,845 2.675,846 12.425,847 20.038,848 -3.819,849 12.365,850 14.313,851 13.416,852 25.23,853 11.329,854 2.284,855 8.546,856 21.99,857 4.13,858 13.551,859 15.637,860 14.758,861 27.727,862 12.404,863 1.725,864 6.179,865 23.949,866 3.061,867 14.767,868 17.09,869 16.1,870 30.251,871 13.526,872 1.367,873 4.316,874 25.913,875 3.011,876 15.973,877 18.458,878 17.441,879 32.762,880 14.626,881 1.126,882 3.168,883 27.881,884 1.971,885 17.19,886 19.894,887 18.783,888 35.282,889 15.745,890 0.619,891 2.665,892 29.853,893 1.62,894 18.405,895 21.286,896 20.124,897 37.798,898 16.856,899 2442,900 5615,901 10.633,902 18.71,903 26.793,904 26.711,905 27.791,906 26.739,907 26.403,908 31.984,909 9.767,910 76.667,911 23.585,912 5.482,913 6.473,914 7.194,915 5.358,916 5.405,917 7.13,918 5.335,919 20.115,920 4.956,921 12.042,922 1.488,923 1.484,924 1.544,925 1.486,926 1.467,927 1.777,928 0.543,929 4.259,930 1.31,931 3.924,932 3.96,933 4.01,934 3.759,935 8.513,936 3.789,937 3.682,938 3.755,939 3.605,940 3.526,941 7.999,942 3.511,943 3.36,944 3.427,945 3.486,946 3.09,947 7.999,948 3.115,949 3.273,950 3.326,951 3.304,952 2.918,953 7.429,954 2.991,955 3.014,956 3.07,957 2.982,958 2.807,959 5.099,960 2.804,961 2.634,962 2.716,963 2.702,964 2.411,965 4.306,966 2.412,967 2.449,968 2.555,969 2.351,970 2.121,971 4.204,972 2.115,973 2.234,974 2.296,975 2.133,976 1.872,977 3.901,978 1.944,979 0.255,980 0.248,981 0.405,982 0.238,983 0.189,984 4.597,985 0.229,986 4.473,987 0.213,988 7.284,989 0.69,990 4.288,991 0.171,992 3.405,993 4.13,994 12.425,995 3.071,996 1.806,997 1.775,998 1.976,999 1.993,1000 1.256,1001 1.967,1002 1.679,1003 1.611,1004 1.811,1005 1.868,1006 0.885,1007 1.882,1008 1.273,1009 1.192,1010 1.582,1011 1.568,1012 0.734,1013 1.569,1014 0.987,1015 0.947,1016 1.16,1017 1.396,1018 0.247,1019 1.279,1020 0.938,1021 0.893,1022 1.019,1023 1.216,1025 1.206,1026 0.583,1027 0.495,1028 0.892,1029 0.867,1031 0.903,1032 0.39,1033 0.296,1034 0.689,1035 0.732,1037 0.734,1038 0.074,1040 0.597,1041 0.496,1043 0.557,1044 3.611,1045 4.92,1047 6.418,1049 8.015,1051 9.671,1052 1.901,1053 5.3,1054 37.944,1057 1.806,1058 2.37,1062 -4.746,1063 18.917,1064 60.099,1065 103.597,1066 121.372,1067 125.372,1068 125.372,1069 125.372,1070 59.069,1071 5.656,1072 54.88,1073 54.88,1074 6,1075 11.892,1076 3,1077 2.322,1078 41.545,1079 47,1080 64,1081 0.442,1082 123.897,1083 222.95,1084 294.07,1085 1454,1086 13.8,1087 13.759,1088 0.764,1089 0.571,1090 11.759,1091 10.269,1092 8.358,1093 0.464,1094 0.312,1095 5.127,1096 7.52,1097 5.035,1098 4.194,1099 7.436,1100 5.616,1101 8.028,1102 0.321,1103 0.154,1104 6.441,1105 3.847,1106 5.272,1107 0.188,1108 0.081,1109 4.754,1110 2.27,1111 4.012,1112 0.118,1113 0.04,1114 3.734,1115 1.35,1116 3.374,1117 0.082,1118 0.021,1119 2.366,1120 0.842,1121 0.665,1122 57.47,1123 0.307,1124 17.937,1125 1.293,1126 86,1127 513.895,1128 127.602,1129 438.092,1130 539.75,1131 400,1132 96,1133 336.471,1134 124.181,1135 328.227,1136 499.79,1137 305,1138 5}
{0 CHEMBL134776,1 2.007,2 10.679,3 5.607,4 31.435,5 99.621,6 10.955,7 0.6,8 3.81,9 3.901,10 3.67,11 3.394,12 5.14,13 3.423,14 4.302,15 4.412,16 4.147,17 3.746,18 6.14,19 3.769,20 4.493,21 4.646,22 4.13,23 3.825,24 5.945,25 3.821,26 4.497,27 4.665,28 4.272,29 3.697,30 6.057,31 3.744,32 4.484,33 4.649,34 4.12,35 3.601,36 6.401,37 3.667,38 4.293,39 4.434,40 4.008,41 3.596,42 5.913,43 3.642,44 4.314,45 4.46,46 4.033,47 3.598,48 5.921,49 3.653,50 4.395,51 4.553,52 4.107,53 3.465,54 6.119,55 3.563,56 0.289,57 0.786,58 1.951,59 2.974,60 37.829,61 2.547,62 0.926,63 1.535,64 4.65,65 5.201,66 141.352,67 4.518,68 0.824,69 1.29,70 14.8,71 6.497,72 87.554,73 6.199,74 0.906,75 1.345,76 17.319,77 6.639,78 105.544,79 6.516,80 1.399,81 1.412,82 18.856,83 5.971,84 185.629,85 4.918,86 0.87,87 1.217,88 9.605,89 5.5,90 120.544,91 4.292,92 0.724,93 1.363,94 7.917,95 5.524,96 83.899,97 4.524,98 1.216,99 1.484,100 16.665,101 6.695,102 175.196,103 4.613,104 38,105 43,106 0.354,107 0.619,108 0.726,109 0.826,110 0.838,111 0.838,112 3.375,113 0.852,114 -5.09,115 -4.99,116 -4.67,117 46.2,124 1,125 8,126 1,127 4,128 1,131 1,134 1,139 4,140 1,141 3,143 3,144 5,145 11,150 2,151 2,153 2,154 6,155 2,156 5,157 5,160 4,168 9,170 1,171 1,174 5,180 2,183 8,185 4,186 1,189 2,192 2,194 1290,195 18.074,196 18.074,197 18.074,198 18.074,199 18.074,200 15.744,201 24.664,202 10.612,203 18.804,204 14.856,205 14.856,206 14.856,207 14.856,208 14.856,209 11.333,210 39.443,211 5.123,212 16.211,213 3.279,214 1.777,215 1.167,216 0.603,217 0.532,218 0.532,219 4.05,220 2,224 1,225 630,226 3.808,228 307.561,229 2.036,230 53.255,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 64.167,241 299,242 4.603,243 4.473,244 7.285,245 4.294,246 3.407,247 4.141,248 12.432,249 3.086,250 4.176,251 3.573,252 6.088,253 3.751,254 2.821,255 3.812,256 1.058,257 8.717,258 2.587,259 3.976,260 3.131,261 5.66,262 3.596,263 2.677,264 3.48,265 0.4,266 7.881,267 2.494,268 3.874,269 2.844,270 5.568,271 3.515,272 2.568,273 3.067,275 7.625,276 2.334,277 3.62,278 2.623,279 5.081,280 3.145,281 2.209,282 3.015,283 6.197,284 2.042,285 3.28,286 2.436,287 4.898,288 2.861,289 1.942,290 2.528,291 5.638,292 1.718,293 3.232,294 2.25,295 4.618,296 2.707,297 1.879,298 2.481,299 4.963,300 1.441,301 2.901,302 1.985,303 4.463,304 2.439,305 1.458,306 2.053,307 3.956,308 1.421,309 2.747,310 1.451,311 3.846,312 2.256,313 1.292,314 1.77,315 3.026,316 1.222,317 2.572,318 1.288,319 3.59,320 2.025,321 1.103,322 1.594,323 2.833,324 1.005,325 2.5,326 1,327 3.247,328 2,329 1,330 1.5,331 2.136,332 1,333 1.391,334 0.541,335 3,336 1.042,337 0.107,338 0.131,339 0.291,340 0.1,341 1.19,342 0.51,343 2.836,344 0.788,345 -0.199,346 -0.257,347 -0.548,348 -0.19,349 1,350 0.51,351 2.686,352 0.473,353 -0.347,354 -0.445,355 -0.891,356 -0.229,357 0.898,358 0.295,359 2.382,360 0.459,361 -0.492,362 -0.617,364 -1.217,365 -0.317,366 13.219,367 0.472,368 0.953,369 0.034,370 39,371 1.393,372 20.5,373 0.732,374 18.5,375 0.661,376 20.657,377 0.738,378 29.981,379 0.769,380 32.544,381 1.162,382 7.991,383 0.285,384 5.229,385 0.187,386 0.198,387 0.038,388 0.303,389 3,390 0.63,391 0.961,392 0.491,393 0.793,394 0.619,395 0.733,396 0.451,397 0.771,398 0.582,399 0.861,400 0.416,401 0.923,402 0.739,403 0.846,404 1.043,405 1.067,406 0.669,407 1.114,408 0.839,409 1.123,410 0.571,411 0.985,412 0.873,413 0.894,414 0.997,415 0.69,416 1.029,417 0.723,418 1.123,419 0.796,420 1.179,421 1.138,422 0.781,423 0.914,424 1.273,425 0.895,426 1.226,427 1.427,428 0.723,429 0.999,430 1.148,431 0.9,432 2.076,433 1.82,434 1.301,435 1.216,436 2.164,437 1.015,438 8,439 0.054,440 2.667,441 2.688,442 1.916,443 1.028,444 0.771,445 0.674,446 0.473,447 0.239,448 9248,449 40196,450 1.984,451 28.2,453 8,455 1,456 2,459 1.713,460 1.816,461 3.363,462 0.353,466 78.263,467 2.007,468 3.509,469 4.118,470 4.683,471 4.753,472 4.753,473 2.937,474 3.852,475 4.776,476 3.58,477 1353.21,478 8.322,479 17834.4,484 206.131,485 1.678,486 4.706,487 0.267,488 0.004,489 0.062,490 0.064,491 0.046,492 0.026,493 0.021,494 0.018,495 0.014,496 0.009,497 0.531,498 0.17,499 1,500 0.82,501 140.253,502 -0.072,503 -0.085,504 -0.011,505 0.001,506 -0.107,507 0.027,508 0.372,509 0.262,510 0.04,511 -0.004,512 0.395,513 -0.133,514 -0.033,515 -0.076,516 -0.147,517 -0.172,518 -0.022,519 -0.171,520 0.033,521 -0.278,522 0.314,523 -0.07,524 0.006,525 0.089,526 0.23,527 0.429,528 -0.129,529 0.218,530 0.187,531 0.081,532 -0.135,533 -0.03,534 -0.036,535 0.016,536 -0.169,537 -0.015,538 -0.221,539 -0.347,540 0.032,541 -0.07,542 -0.099,543 0.008,544 -0.464,545 -0.291,546 -0.188,547 -0.117,548 -0.451,549 -0.093,550 6.116,551 5.454,552 0.643,553 26.653,554 1.057,555 1.144,556 3.858,557 14.888,558 0.733,559 3.434,560 3.784,561 3.951,562 4.22,563 4.407,564 4.394,565 4.477,566 4.575,567 4.663,568 4.644,569 6.519,570 0.738,571 427.23,572 3.434,573 4.99,574 5.814,575 6.703,576 7.547,577 8.437,578 9.291,579 10.181,580 11.043,581 11.933,582 10.3,586 1,587 1,588 2,589 9,590 2,593 7,594 18,596 1,600 1,604 2,605 39,606 19,607 2,608 30,609 41,610 18,611 16,612 4,613 8,614 1,615 3,616 3,617 2,618 1,620 1,622 17,623 1,624 1,625 1,626 1,630 3,631 11,632 8,633 2,634 10,635 2,637 4,638 1,641 1,643 3,644 3,647 2,648 3,649 28,653 2,657 1,659 5,660 2.6,662 1,665 15.417,666 7.031,667 5.972,668 2.069,670 2.991,671 1.419,672 0.995,673 5.967,674 10.125,675 3.714,676 4.324,677 4.826,678 5.389,679 5.882,680 5.983,681 6.234,682 6.605,683 6.956,684 7.251,685 1,686 42,687 11.08,688 5.49,689 8.457,690 18.3,691 14.537,692 2.957,693 82.806,695 105.94,696 117.678,697 69.593,698 78.297,699 25.145,700 44.88,702 117.678,703 209.382,704 114.473,706 18.011,707 75.81,708 75.192,709 90.396,710 1.899,711 94.169,712 86.057,713 105.94,714 187.27,715 70.025,716 78.297,717 105.94,718 70.025,720 57.484,721 96.215,722 111.868,724 150.82,725 94.737,726 195.975,729 113.699,730 25.061,731 84.857,732 36.022,733 181.894,734 105.94,735 139.618,736 195.975,737 0.592,738 0.319,739 0.173,740 0.096,741 20,742 10,743 0.098,744 4,745 3.85,746 237.697,747 18,748 119.851,750 20.246,751 8.253,752 5.285,753 139.618,754 13.365,755 7.288,758 -1.312,759 36.022,760 441.533,761 40,762 12.376,763 -1.045,765 41.222,766 44.601,767 0.38,768 0.664,769 0.779,770 0.886,771 0.899,772 0.899,773 4.959,774 1.458,775 5.849,776 4.963,777 4.466,778 5.011,779 3.153,780 6.681,781 4.299,782 6.198,783 1.292,784 7.428,785 3.956,786 4.29,787 4.879,788 3.903,789 7.811,790 3.907,791 7.52,792 1.103,793 9.117,794 3.026,795 6.129,796 7.184,797 5.432,798 10.831,799 5.799,800 8.873,801 1,802 10.874,803 2.833,804 6.698,805 7.748,806 6.69,807 12.791,808 6.16,809 10.252,810 0.107,811 12.678,812 2.136,813 8.108,814 9.608,815 8.059,816 15.443,817 7.588,818 11.652,819 -0.199,820 14.517,821 0.291,822 9.018,823 10.525,824 9.388,825 17.745,826 8.32,827 13.068,828 -0.347,829 16.384,830 -0.548,831 10.275,832 12.172,833 10.734,834 20.297,835 9.55,836 3.407,837 -0.492,838 18.274,839 -0.891,840 11.345,841 13.29,842 12.074,843 22.734,844 10.47,845 2.821,846 12.432,847 20.182,848 -1.217,849 12.555,850 14.824,851 13.416,852 25.26,853 11.618,854 2.677,855 8.717,856 22.105,857 4.141,858 13.699,859 16.059,860 14.758,861 27.748,862 12.634,863 2.568,864 7.881,865 24.04,866 3.812,867 14.9,868 17.531,869 16.1,870 30.268,871 13.752,872 2.209,873 7.625,874 25.986,875 3.48,876 16.081,877 18.836,878 17.441,879 32.775,880 14.817,881 1.942,882 6.197,883 27.939,884 3.067,885 17.285,886 20.275,887 18.783,888 35.294,889 15.929,890 1.879,891 5.638,892 29.899,893 3.015,894 18.485,895 21.622,896 20.124,897 37.809,898 17.019,899 9081,900 19145,901 19.186,902 28.574,903 45.741,904 45.722,905 45.891,906 45.422,907 44.927,908 59.148,909 10.567,910 131.388,911 40.9,912 5.448,913 6.473,914 7.087,915 5.364,916 5.407,917 7.141,918 5.335,919 20.139,920 5.086,921 16.428,922 1.525,923 1.524,924 1.53,925 1.514,926 1.498,927 1.972,928 0.352,929 4.38,930 1.363,931 3.987,932 4.024,933 4.094,934 3.882,935 8.513,936 3.886,937 3.894,938 3.921,939 3.931,940 3.826,941 7.999,942 3.822,943 3.823,944 3.852,945 3.787,946 3.705,947 7.999,948 3.725,949 3.326,950 3.361,951 3.582,952 3.057,953 7.429,954 3.104,955 3.296,956 3.355,957 3.385,958 2.941,959 5.027,960 3.016,961 2.972,962 3.043,963 3.307,964 2.849,965 4.961,966 2.815,967 2.901,968 2.925,969 3.016,970 2.784,971 4.728,972 2.8,973 2.854,974 2.918,975 2.784,976 2.735,977 4.632,978 2.715,979 0.153,980 0.149,981 0.243,982 0.143,983 0.114,984 4.603,985 0.138,986 4.473,987 0.128,988 7.285,989 0.414,990 4.294,991 0.103,992 3.407,993 4.141,994 12.432,995 3.086,996 1.904,997 1.876,998 2.014,999 2.045,1000 1.067,1001 2.025,1002 1.877,1003 1.854,1004 1.935,1005 1.966,1006 1.058,1007 1.971,1008 1.762,1009 1.735,1010 1.806,1011 1.895,1012 0.871,1013 1.883,1014 1.17,1015 1.124,1016 1.288,1017 1.455,1018 0.295,1019 1.408,1020 1.042,1021 0.995,1022 1.181,1023 1.434,1024 0.218,1025 1.32,1026 0.899,1027 0.842,1028 1.164,1029 1.153,1030 0.21,1031 1.146,1032 0.886,1033 0.827,1034 1.017,1035 1.062,1036 0.105,1037 1.107,1038 0.849,1039 0.821,1040 1,1041 0.962,1043 1.004,1044 4.111,1045 5.451,1047 6.969,1049 8.57,1051 10.217,1053 11.665,1054 40.363,1058 4.972,1062 -4.866,1063 28.766,1064 78.263,1065 136.846,1066 160.621,1067 182.621,1068 185.376,1069 185.376,1070 72.038,1071 7.134,1072 66.91,1073 66.91,1074 18,1075 12.468,1076 4.322,1077 3.459,1078 49.55,1079 107,1080 112,1081 0.223,1082 183.412,1083 325.2,1084 439.286,1085 11220,1086 12.8,1087 20.311,1088 0.725,1089 0.55,1090 18.811,1091 15.401,1092 13.219,1093 0.441,1094 0.284,1095 7.665,1096 11.99,1097 7.52,1098 6.171,1099 12.585,1100 8.515,1101 13.052,1102 0.304,1103 0.15,1104 11.873,1105 6.43,1106 9.228,1107 0.181,1108 0.076,1109 8.919,1110 3.889,1111 8.073,1112 0.12,1113 0.042,1114 8.286,1115 2.825,1116 6.202,1117 0.077,1118 0.02,1119 5.442,1120 1.594,1121 0.348,1122 90.173,1123 0.228,1124 26.701,1125 0.621,1126 146,1127 682.432,1128 204.319,1129 639.852,1130 812.61,1131 588,1132 167,1133 522.151,1134 207.604,1135 528.808,1136 789.24,1137 495,1138 5}
{0 CHEMBL134863,1 2.188,2 8.091,3 3.31,4 10.956,5 75.835,6 12.108,7 0.522,8 3.538,9 3.63,10 3.459,11 3.068,12 4.955,13 3.127,14 4.025,15 4.131,16 3.971,17 3.416,18 6.038,19 3.474,20 4.174,21 4.299,22 3.941,23 3.502,24 5.777,25 3.532,26 4.188,27 4.323,28 4.111,29 3.374,30 5.905,31 3.461,32 4.204,33 4.353,34 3.896,35 3.208,36 6.349,37 3.309,38 3.927,39 4.072,40 3.65,41 3.101,42 5.712,43 3.169,44 3.795,45 3.943,46 3.572,47 3.062,48 5.409,49 3.111,50 3.801,51 3.952,52 3.682,53 2.924,54 5.51,55 2.995,56 0.342,57 0.661,58 0.527,59 2.119,60 53.621,61 1.407,62 0.917,63 1.259,64 2.286,65 3.866,66 148.717,67 2.878,68 0.783,69 0.965,70 8.823,71 4.418,72 91.81,73 3.275,74 0.902,75 1.06,76 9.747,77 4.734,78 127.704,79 3.921,80 1.229,81 0.954,82 13.863,83 4.549,84 201.996,85 3.394,86 0.956,87 0.744,88 7.092,89 4.05,90 151.43,91 2.696,92 0.605,93 0.736,94 3.766,95 3.058,96 81.242,97 2.05,98 0.814,99 0.706,100 9.83,101 3.594,102 123.136,103 2.491,104 51,105 34,106 0.42,107 0.745,108 0.817,109 0.835,110 0.835,111 0.835,112 3.147,113 0.834,114 -3.92,115 -3.87,116 -3.67,117 41.4,124 1,125 3,126 1,127 3,128 1,131 1,134 1,135 1,136 1,137 1,140 1,141 3,142 2,143 3,144 3,145 7,153 2,154 2,155 2,156 4,157 5,158 1,168 7,169 1,170 1,171 1,173 1,174 3,183 6,185 2,187 2,194 612,195 13.643,196 13.643,197 13.643,198 13.643,199 13.643,200 12.012,201 18.339,202 7.796,203 14.35,204 11.356,205 11.356,206 11.356,207 11.356,208 11.356,209 8.833,210 24.443,211 3.739,212 12.655,213 2.67,214 0.975,215 0.604,216 0.509,217 0.509,218 0.509,219 3.794,220 2,223 1,224 1,225 361,226 3.606,228 153.133,229 1.19,230 49.072,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 52.167,241 178,242 4.599,243 4.473,244 7.285,245 4.292,246 3.406,247 4.134,248 12.427,249 3.083,250 4.176,251 3.573,252 6.087,253 3.751,254 2.82,255 3.812,256 1.058,257 8.71,258 2.584,259 3.886,260 3.131,261 5.654,262 3.535,263 2.621,264 3.067,266 7.835,267 2.334,268 3.654,269 2.623,270 5.105,271 3.195,272 2.286,273 3.018,275 6.234,276 2.054,277 3.275,278 2.593,279 4.879,280 2.856,281 1.939,282 2.523,283 5.588,284 1.712,285 3.232,286 2.258,287 4.618,288 2.707,289 1.879,290 2.481,291 4.963,292 1.441,293 2.77,294 1.981,295 4.428,296 2.281,297 1.32,298 1.785,299 3.859,300 1.24,301 2.572,302 1.289,303 3.846,304 2.025,305 1.105,306 1.594,307 2.836,308 1.005,309 1.207,310 0.533,311 2.963,312 0.871,313 -0.066,314 -0.079,315 -0.176,316 -0.061,317 1.156,318 0.51,319 2.703,320 0.681,321 -0.309,322 -0.421,323 -0.768,324 -0.229,325 1,326 0.51,327 2.382,328 0.473,329 -0.347,330 -0.445,331 -0.891,332 -0.268,333 0.702,334 0.26,335 2.359,336 0.205,337 -0.586,338 -0.689,339 -1.357,340 -0.366,341 0.642,342 0.173,343 2.173,344 0.169,345 -0.76,346 -0.972,347 -2.352,348 -0.7,349 0.153,350 0.098,351 2,352 -0.216,353 -1,354 -1,355 -2.963,356 -0.7,357 0.018,358 -0.45,359 2,360 -0.3,361 -1,362 -1,364 -3,365 -0.701,366 10.219,367 0.465,368 0.922,369 0.042,370 29.25,371 1.33,372 14.5,373 0.659,374 14.75,375 0.67,376 15.669,377 0.712,378 24.581,379 0.848,380 23.877,381 1.085,382 6.022,383 0.274,384 4.141,385 0.188,386 0.295,387 0.049,388 0.342,389 3,390 0.714,391 0.981,392 0.501,393 0.731,394 0.716,395 0.661,396 0.483,397 0.717,398 0.545,399 0.733,400 0.437,401 0.786,402 0.837,403 0.811,404 1.17,405 1.054,406 0.758,407 1.141,408 0.912,409 1.177,410 0.584,411 1.066,412 0.989,413 0.976,414 1.032,415 0.695,416 1.141,417 0.833,418 1.121,419 0.971,420 1.444,421 1.11,422 0.967,423 0.869,424 1.516,425 0.965,426 1.146,427 1.125,428 0.863,429 0.778,430 1.021,431 0.842,432 1.651,433 1.503,434 1.539,435 1.238,436 1.635,437 1.09,438 7.5,439 0.012,440 2.667,441 2.5,442 1.804,443 0.847,444 0.407,445 0.384,446 0.345,447 0.148,448 4179,449 23588,450 1.883,451 24.1,453 3,455 1,456 3,459 1.649,460 1.682,461 3.005,462 1.248,463 1,465 1,466 63.456,467 2.188,468 3.883,469 4.254,470 4.349,471 4.349,472 4.349,473 2.431,474 3.664,475 4.435,476 3.177,477 733.812,478 7.637,479 8049.35,480 1,481 1,482 1,483 1,484 140.881,485 1.78,486 4.322,487 0.326,488 0.004,489 0.078,490 0.076,491 0.055,492 0.029,493 0.019,494 0.018,495 0.018,496 0.011,497 0.634,498 0.5,499 1,500 0.931,501 99.999,502 -0.125,503 -0.09,504 -0.031,505 0.052,506 -0.152,507 0.084,508 0.367,509 0.338,510 0.076,511 0.136,512 0.407,513 0.003,514 -0.12,515 -0.029,516 -0.285,517 -0.169,518 -0.084,519 -0.241,520 -0.029,521 -0.326,522 0.285,523 -0.154,524 -0.082,525 -0.007,526 0.185,527 0.396,528 -0.217,529 0.145,530 0.2,531 -0.046,532 -0.295,533 0.034,534 -0.12,535 0.135,536 -0.306,537 0.01,538 -0.307,539 -0.27,540 -0.014,541 0.131,542 -0.18,543 0.131,544 -0.421,545 -0.315,546 -0.21,547 -0.116,548 -0.443,549 -0.057,550 6.101,551 4.997,552 0.545,553 14.909,554 1.085,555 1.165,556 2.688,557 7.226,558 0.726,559 3.178,560 3.555,561 3.689,562 3.951,563 4.111,564 4.025,565 3.932,566 3.912,567 3.989,568 3.871,569 5.172,570 0.749,571 351.13,572 3.178,573 4.745,574 5.565,575 6.466,576 7.31,577 8.208,578 9.062,579 9.957,580 10.818,581 11.711,582 13.8,583 1,586 1,588 2,589 4,590 2,593 6,594 12,596 1,599 1,604 2,605 29,606 13,607 1,608 23,609 30,610 12,611 10,612 3,613 3,614 1,615 2,616 2,617 2,618 1,620 1,622 11,623 1,624 1,625 1,626 1,629 1,630 3,631 7,632 8,633 3,634 10,635 2,637 4,638 1,641 1,643 2,644 2,647 2,648 3,649 22,650 1,653 1,657 1,659 5,660 3.4,662 1,665 13.083,666 5.198,667 4.639,668 1.416,670 2.259,671 1.353,672 0.974,673 4.683,674 8.66,675 3.434,676 4.06,677 4.543,678 5.098,679 5.561,680 5.635,681 5.642,682 5.82,683 6.135,684 6.347,685 1,686 33,687 8.806,688 4.508,689 8.802,690 13.857,691 10.849,692 3.302,693 72.639,695 47.084,696 67.54,697 84.479,698 78.297,699 25.145,700 44.88,702 67.54,703 150.527,704 129.359,706 18.011,707 61.326,708 75.192,709 69.628,710 1.899,711 35.313,712 86.057,713 47.084,714 152.019,715 70.025,716 78.297,717 47.084,718 70.025,720 39.474,721 78.974,722 111.868,724 91.965,725 109.624,726 145.837,729 54.844,730 22.304,731 37.476,732 18.011,733 214.791,734 47.084,735 154.504,736 145.837,737 0.603,738 0.32,739 0.172,740 0.098,741 16,742 9,743 0.067,744 2,745 3.195,746 167.485,747 12,748 87.353,750 16.653,751 6.186,752 4.157,753 154.504,754 4.77,755 6.476,758 -2.217,759 50.908,760 347.426,761 30,762 11.997,763 -1.064,765 31.454,766 33.771,767 0.45,768 0.799,769 0.876,770 0.895,771 0.895,772 0.895,773 4.7,774 1.105,775 5.638,776 3.859,777 4.234,778 4.745,779 3.139,780 6.5,781 4.033,782 5.965,783 -0.066,784 7.245,785 2.836,786 4.205,787 4.771,788 3.903,789 7.719,790 3.792,791 7.308,792 -0.309,793 8.96,794 -0.176,795 5.943,796 6.946,797 5.431,798 10.725,799 5.564,800 8.679,801 -0.347,802 10.741,803 -0.768,804 6.608,805 7.627,806 6.69,807 12.732,808 6.033,809 10.074,810 -0.586,811 12.565,812 -0.891,813 7.971,814 9.402,815 8.059,816 15.392,817 7.397,818 11.487,819 -0.76,820 14.422,821 -1.357,822 8.938,823 10.407,824 9.388,825 17.716,826 8.203,827 12.917,828 -1,829 16.305,830 -2.352,831 10.18,832 12.002,833 10.734,834 20.274,835 9.403,836 3.406,837 -1,838 18.209,839 -2.963,840 11.282,841 13.182,842 12.074,843 22.719,844 10.371,845 2.82,846 12.427,847 20.129,848 -3,849 12.49,850 14.687,851 13.416,852 25.248,853 11.51,854 2.621,855 8.71,856 22.062,857 4.134,858 13.652,859 15.965,860 14.758,861 27.739,862 12.556,863 2.286,864 7.835,865 24.006,866 3.812,867 14.856,868 17.421,869 16.1,870 30.26,871 13.674,872 1.939,873 6.234,874 25.958,875 3.067,876 16.047,877 18.755,878 17.441,879 32.768,880 14.757,881 1.879,882 5.588,883 27.917,884 3.018,885 17.254,886 20.186,887 18.783,888 35.288,889 15.871,890 1.32,891 4.963,892 29.881,893 2.523,894 18.459,895 21.551,896 20.124,897 37.803,898 16.973,899 4338,900 10417,901 13.929,902 21.051,903 35.459,904 35.57,905 36.512,906 35.094,907 34.753,908 44.829,909 9.767,910 104.9,911 30.907,912 5.443,913 6.473,914 6.57,915 5.362,916 5.406,917 7.134,918 5.335,919 20.134,920 5.083,921 14.982,922 1.542,923 1.547,924 1.587,925 1.526,926 1.511,927 1.949,928 0.425,929 4.561,930 1.344,931 3.964,932 3.996,933 4.092,934 3.872,935 8.513,936 3.871,937 3.857,938 3.886,939 3.903,940 3.724,941 7.999,942 3.75,943 3.329,944 3.38,945 3.582,946 3.048,947 7.999,948 3.099,949 3.308,950 3.361,951 3.385,952 2.919,953 7.429,954 3.003,955 2.916,956 3.006,957 3.315,958 2.849,959 5.213,960 2.815,961 2.901,962 2.918,963 3.002,964 2.727,965 5.021,966 2.735,967 2.683,968 2.734,969 2.625,970 2.391,971 4.632,972 2.424,973 2.376,974 2.48,975 2.352,976 1.945,977 4.541,978 2.03,979 0.2,980 0.194,981 0.317,982 0.187,983 0.148,984 4.599,985 0.18,986 4.473,987 0.166,988 7.285,989 0.54,990 4.292,991 0.134,992 3.406,993 4.134,994 12.427,995 3.083,996 1.887,997 1.868,998 1.936,999 2.021,1000 1.061,1001 1.993,1002 1.78,1003 1.75,1004 1.82,1005 1.921,1006 0.869,1007 1.909,1008 1.17,1009 1.12,1010 1.318,1011 1.489,1012 0.226,1013 1.444,1014 1.028,1015 0.976,1016 1.151,1017 1.444,1018 0.105,1019 1.331,1020 0.849,1021 0.827,1022 1.014,1023 1.147,1025 1.136,1026 0.847,1027 0.784,1028 1,1029 0.962,1031 1.004,1032 0.584,1033 0.516,1034 0.858,1035 0.874,1037 0.872,1038 0.169,1039 0.056,1040 0.432,1041 0.609,1043 0.562,1044 3.85,1045 5.209,1047 6.739,1049 8.354,1051 10.015,1053 11.495,1054 38.663,1055 5.128,1058 2.243,1062 -4.851,1063 21.713,1064 63.456,1065 112.617,1066 123.372,1067 126.127,1068 126.127,1069 126.127,1070 62.832,1071 6.4,1072 80.9,1073 80.9,1074 12,1075 12.244,1076 3.807,1077 3,1078 42.05,1079 68,1080 56,1081 0.31,1082 142.034,1083 252.58,1084 338.322,1085 4181,1086 17.2,1087 16.491,1088 0.75,1089 0.55,1090 14.991,1091 12.091,1092 10.164,1093 0.442,1094 0.278,1095 5.55,1096 8.954,1097 5.448,1098 4.441,1099 9.53,1100 6.393,1101 10.551,1102 0.31,1103 0.146,1104 9.372,1105 4.973,1106 6.99,1107 0.179,1108 0.074,1109 6.681,1110 2.877,1111 6.088,1112 0.119,1113 0.042,1114 6.335,1115 2.128,1116 4.622,1117 0.077,1118 0.019,1119 3.711,1120 1.124,1121 0.473,1122 71.72,1123 0.268,1124 21.331,1125 0.892,1126 114,1127 613.411,1128 171.292,1129 569.5,1130 708.8,1131 520,1132 130,1133 440.742,1134 169.105,1135 444.998,1136 666.63,1137 415,1138 5}
{0 CHEMBL134876,1 1.952,2 10.679,3 5.724,4 32.76,5 102.342,6 9.629,7 0.4,8 3.928,9 4.038,10 3.683,11 3.468,12 5.115,13 3.474,14 4.507,15 4.661,16 4.165,17 3.869,18 6.155,19 3.851,20 4.779,21 4.995,22 4.152,23 3.984,24 6.007,25 3.925,26 4.768,27 4.999,28 4.289,29 3.849,30 6.12,31 3.838,32 4.67,33 4.88,34 4.134,35 3.708,36 6.432,37 3.735,38 4.454,39 4.623,40 4.026,41 3.698,42 5.931,43 3.712,44 4.514,45 4.691,46 4.057,47 3.715,48 5.953,49 3.738,50 4.614,51 4.801,52 4.135,53 3.596,54 6.192,55 3.662,56 0.235,57 0.87,58 5.288,59 3.975,60 36.568,61 4.302,62 0.973,63 1.664,64 13.853,65 7.338,66 157.327,67 8.277,68 0.941,69 1.455,70 29.667,71 9.469,72 110.749,73 12.062,74 1.02,75 1.493,76 32.358,77 9.006,78 115.23,79 11.199,80 1.559,81 1.451,82 28.53,83 6.975,84 209.769,85 8.052,86 0.846,87 1.316,88 16.383,89 6.578,90 116.702,91 6.445,92 0.767,93 1.551,94 16.215,95 7.173,96 104.341,97 6.948,98 1.374,99 1.674,100 26.602,101 8.128,102 213.173,103 6.211,104 38,105 43,106 0.339,107 0.664,108 0.74,109 0.799,110 0.82,111 0.82,112 3.375,113 0.946,114 -5.32,115 -5.2,116 -4.86,117 40,119 5,123 1,124 1,125 3,126 1,127 3,128 1,131 1,134 1,139 4,140 1,141 3,143 3,144 5,145 11,150 2,151 2,153 2,154 6,155 2,156 5,157 5,160 4,168 9,170 1,171 1,174 5,180 2,183 8,185 4,186 1,189 2,192 2,194 1290,195 18.074,196 18.074,197 18.074,198 18.074,199 18.074,200 16.495,201 24.664,202 10.612,203 18.804,204 14.856,205 14.856,206 14.856,207 14.856,208 14.856,209 12.361,210 39.443,211 5.123,212 16.211,213 3.54,214 1.671,215 1.233,216 0.895,217 0.772,218 0.772,219 4.05,220 2,224 1,225 630,226 3.808,228 307.561,229 2.036,230 54.569,232 1,233 1,234 1,235 0.8,236 0.5,237 1,238 1,239 0.9,240 64.167,241 299,242 4.602,243 4.473,244 7.285,245 4.294,246 3.407,247 4.139,248 12.432,249 3.086,250 4.176,251 3.573,252 6.088,253 3.751,254 2.821,255 3.812,256 1.058,257 8.717,258 2.587,259 3.898,260 3.131,261 5.66,262 3.596,263 2.677,264 3.113,265 0.4,266 7.881,267 2.494,268 3.787,269 2.844,270 5.568,271 3.515,272 2.568,273 3.065,275 7.625,276 2.334,277 3.396,278 2.623,279 5.081,280 3.145,281 2.209,282 2.547,283 6.197,284 2.042,285 3.26,286 2.436,287 4.898,288 2.861,289 1.942,290 2.481,291 5.638,292 1.718,293 3.232,294 2.25,295 4.618,296 2.707,297 1.879,298 2.402,299 4.963,300 1.441,301 2.782,302 1.985,303 4.463,304 2.439,305 1.458,306 1.799,307 3.956,308 1.421,309 2.573,310 1.451,311 3.846,312 2.256,313 1.292,314 1.598,315 3.026,316 1.222,317 2.428,318 1.288,319 3.59,320 2.025,321 1.103,322 1.422,323 2.833,324 1.005,325 2,326 1,327 3.247,328 2,329 1,330 1,331 2.136,332 1,333 1.306,334 0.541,335 3,336 1.042,337 0.107,338 0.121,339 0.291,340 0.1,341 1.187,342 0.51,343 2.836,344 0.788,345 -0.199,346 -0.249,347 -0.548,348 -0.19,349 1,350 0.51,351 2.686,352 0.473,353 -0.347,354 -0.445,355 -0.891,356 -0.229,357 0.765,358 0.295,359 2.382,360 0.459,361 -0.492,362 -0.589,364 -1.217,365 -0.317,366 13.219,367 0.472,368 0.953,369 0.034,370 33,371 1.179,372 14.5,373 0.518,374 18.5,375 0.661,376 26.101,377 0.932,378 31.781,379 0.706,380 27.101,381 0.968,382 6.124,383 0.219,384 7.096,385 0.253,386 0.198,387 0.038,388 0.303,389 3,390 0.601,391 1.07,392 0.524,393 0.927,394 0.57,395 0.868,396 0.404,397 0.821,398 0.579,399 0.945,400 0.347,401 0.994,402 0.598,403 0.797,404 0.842,405 0.981,406 0.514,407 0.999,408 0.701,409 0.999,410 0.507,411 0.858,412 0.696,413 0.788,414 0.914,415 0.67,416 0.892,417 0.667,418 0.989,419 0.723,420 1.117,421 1.164,422 0.767,423 0.94,424 1.186,425 0.931,426 1.318,427 1.5,428 0.77,429 1.012,430 1.311,431 0.951,432 2.248,433 1.892,434 1.267,435 1.133,436 2.427,437 1.001,438 8,439 0.054,440 2.667,441 2.688,442 1.916,443 1.028,444 0.771,445 0.674,446 0.473,447 0.239,448 9248,449 35027,450 1.984,451 37.8,452 6,453 4,455 1,456 2,458 4,459 1.713,460 1.816,461 3.363,462 0.353,466 87.833,467 1.952,468 3.821,469 4.259,470 4.597,471 4.72,472 4.72,473 2.937,474 3.852,475 4.776,476 3.58,477 1353.21,478 8.322,479 17834.4,484 247.133,485 1.678,486 4.706,487 0.267,488 0.004,489 0.062,490 0.064,491 0.046,492 0.026,493 0.021,494 0.018,495 0.014,496 0.009,497 0.531,498 0.17,499 1,500 0.82,501 140.253,502 -0.056,503 -0.093,504 -0.001,505 -0.01,506 -0.056,507 0.018,508 0.368,509 0.209,510 0.087,511 -0.016,512 0.417,513 -0.078,514 0.054,515 -0.068,516 0.034,517 -0.057,518 0.071,519 0.011,520 0.101,521 -0.222,522 0.357,523 0.038,524 0.082,525 0.208,526 0.267,527 0.384,528 0.005,529 0.219,530 0.243,531 0.156,532 -0.101,533 -0.037,534 -0.029,535 -0.014,536 -0.123,537 -0.042,538 -0.231,539 -0.306,540 -0.019,541 -0.071,542 -0.167,543 -0.047,544 -0.466,545 -0.24,546 -0.194,547 -0.084,548 -0.494,549 -0.125,550 6.065,551 5.494,552 0.643,553 26.653,554 1.042,555 1.152,556 4.086,557 16.692,558 0.686,559 3.434,560 3.784,561 3.951,562 4.22,563 4.407,564 4.394,565 4.477,566 4.575,567 4.663,568 4.644,569 6.519,570 0.674,571 433.29,572 3.434,573 4.99,574 5.814,575 6.703,576 7.547,577 8.437,578 9.291,579 10.181,580 11.043,581 11.933,582 8.9,584 1,586 1,588 2,589 4,590 2,593 6,594 12,596 1,600 1,604 2,605 45,606 13,607 1,608 30,609 47,610 18,611 10,612 3,613 3,614 1,615 3,616 3,617 2,618 1,619 6,620 1,621 6,622 11,623 7,624 1,625 1,626 1,630 3,631 17,632 8,633 2,634 10,635 2,637 4,638 1,641 1,643 3,644 3,647 2,648 3,649 28,652 5,653 2,655 1,657 1,659 5,660 2.2,662 1,665 15.417,666 7.948,667 5.972,668 2.812,670 2.169,671 1.304,672 0.971,673 6.564,674 9.303,675 3.638,676 4.205,677 4.673,678 5.216,679 5.684,680 5.831,681 6.003,682 6.254,683 6.524,684 6.723,685 1,686 42,687 11.118,688 5.496,689 8.356,690 18.938,691 15.581,692 2.856,693 79.972,695 176.567,696 80.212,697 69.593,698 78.297,699 25.145,700 44.88,702 80.212,703 280.009,704 114.473,706 30.683,707 28.429,708 93.202,709 69.628,710 1.899,711 164.795,712 86.057,713 176.567,714 149.805,715 70.025,716 78.297,717 129.482,718 117.11,720 52.146,721 46.077,722 129.879,724 221.447,725 94.737,726 158.51,729 184.326,730 34.977,731 37.476,732 36.022,733 181.894,734 176.567,735 139.618,736 158.51,737 0.592,738 0.319,739 0.173,740 0.096,741 20,742 10,743 0.085,744 4,745 3.85,746 237.697,747 18,748 119.851,750 21.006,751 8.749,752 5.654,753 139.618,754 5.064,755 7.485,758 -1.477,759 36.022,760 474.694,761 37,762 12.408,763 -1.005,765 46.872,766 51.847,767 0.355,768 0.696,769 0.775,770 0.837,771 0.859,772 0.859,773 4.905,774 1.458,775 5.849,776 4.963,777 4.466,778 4.89,779 3.153,780 6.681,781 4.299,782 6.124,783 1.292,784 7.428,785 3.956,786 4.29,787 4.82,788 3.903,789 7.811,790 3.907,791 7.444,792 1.103,793 9.117,794 3.026,795 6.129,796 7.022,797 5.432,798 10.831,799 5.799,800 8.793,801 1,802 10.874,803 2.833,804 6.698,805 7.666,806 6.69,807 12.791,808 6.16,809 10.172,810 0.107,811 12.678,812 2.136,813 8.108,814 9.445,815 8.059,816 15.443,817 7.588,818 11.573,819 -0.199,820 14.517,821 0.291,822 9.018,823 10.436,824 9.388,825 17.745,826 8.32,827 12.992,828 -0.347,829 16.384,830 -0.548,831 10.275,832 12.03,833 10.734,834 20.297,835 9.55,836 3.407,837 -0.492,838 18.274,839 -0.891,840 11.345,841 13.206,842 12.074,843 22.734,844 10.47,845 2.821,846 12.432,847 20.182,848 -1.217,849 12.555,850 14.708,851 13.416,852 25.26,853 11.618,854 2.677,855 8.717,856 22.105,857 4.139,858 13.699,859 15.985,860 14.758,861 27.748,862 12.634,863 2.568,864 7.881,865 24.04,866 3.812,867 14.9,868 17.44,869 16.1,870 30.268,871 13.752,872 2.209,873 7.625,874 25.986,875 3.113,876 16.081,877 18.774,878 17.441,879 32.775,880 14.817,881 1.942,882 6.197,883 27.939,884 3.065,885 17.285,886 20.205,887 18.783,888 35.294,889 15.929,890 1.879,891 5.638,892 29.899,893 2.547,894 18.485,895 21.571,896 20.124,897 37.809,898 17.019,899 9081,900 17993,901 19.186,902 30.858,903 45.282,904 45.722,905 45.891,906 45.422,907 44.927,908 54.997,909 10.567,910 131.388,911 40.9,912 5.602,913 6.473,914 7.087,915 5.364,916 5.407,917 7.139,918 5.335,919 20.139,920 5.086,921 16.428,922 1.509,923 1.524,924 1.53,925 1.514,926 1.498,927 1.833,928 0.352,929 4.38,930 1.363,931 3.984,932 4.026,933 4.093,934 3.877,935 8.513,936 3.878,937 3.883,938 3.919,939 3.919,940 3.776,941 7.999,942 3.781,943 3.814,944 3.856,945 3.704,946 3.686,947 7.999,948 3.69,949 3.337,950 3.401,951 3.582,952 3.094,953 7.429,954 3.126,955 3.32,956 3.361,957 3.385,958 2.98,959 5.025,960 3.037,961 3.111,962 3.206,963 3.313,964 2.941,965 4.94,966 2.91,967 3.095,968 3.173,969 3.042,970 2.849,971 4.632,972 2.876,973 2.901,974 2.918,975 2.869,976 2.842,977 4.292,978 2.815,979 0.153,980 0.149,981 0.243,982 0.143,983 0.114,984 4.602,985 0.138,986 4.473,987 0.128,988 7.285,989 0.414,990 4.294,991 0.103,992 3.407,993 4.139,994 12.432,995 3.086,996 1.896,997 1.87,998 2.095,999 2.06,1000 1.476,1001 2.064,1002 1.87,1003 1.823,1004 1.936,1005 1.986,1006 1.061,1007 1.983,1008 1.763,1009 1.731,1010 1.813,1011 1.907,1012 0.892,1013 1.895,1014 1.245,1015 1.178,1016 1.513,1017 1.509,1018 0.825,1019 1.497,1020 1.153,1021 1.064,1022 1.499,1023 1.446,1024 0.799,1025 1.429,1026 1.097,1027 1.05,1028 1.228,1029 1.376,1030 0.231,1031 1.357,1032 0.965,1033 0.909,1034 1.034,1035 1.297,1036 0.105,1037 1.253,1038 0.849,1039 0.827,1040 1,1041 0.987,1042 0.086,1043 1.004,1044 4.111,1045 5.451,1047 6.969,1049 8.57,1051 10.217,1053 11.696,1054 40.482,1057 4.823,1058 5.28,1060 0.031,1062 -4.815,1063 30.347,1064 87.833,1065 171.96,1066 191.649,1067 206.869,1068 212.379,1069 212.379,1070 78.758,1071 7.134,1072 66.91,1073 66.91,1074 18,1075 12.468,1076 3.807,1077 3,1078 49.55,1079 107,1080 112,1081 0.223,1082 192.194,1083 344.02,1084 460.714,1085 11220,1086 11.1,1087 20.311,1088 0.725,1089 0.576,1090 18.811,1091 16.127,1092 13.219,1093 0.441,1094 0.315,1095 8.608,1096 11.99,1097 8.464,1098 6.935,1099 12.585,1100 9.46,1101 13.052,1102 0.304,1103 0.173,1104 11.873,1105 7.418,1106 9.228,1107 0.181,1108 0.094,1109 8.919,1110 4.797,1111 8.073,1112 0.12,1113 0.054,1114 8.286,1115 3.614,1116 6.202,1117 0.077,1118 0.028,1119 5.442,1120 2.247,1121 0.348,1122 90.173,1123 0.228,1124 26.701,1125 0.621,1126 146,1127 650.432,1128 204.319,1129 605.187,1130 764.62,1131 556,1132 167,1133 485.869,1134 207.604,1135 489.872,1136 735.52,1137 459,1138 5}
{0 CHEMBL134990,1 2.265,2 7.9,3 2.994,4 8.966,5 70.129,6 11.916,7 0.524,8 3.46,9 3.538,10 3.433,11 3.055,12 4.824,13 3.066,14 3.976,15 4.088,16 3.976,17 3.385,18 5.97,19 3.4,20 4.007,21 4.115,22 3.777,23 3.386,24 5.606,25 3.375,26 4.07,27 4.206,28 3.853,29 3.249,30 5.747,31 3.323,32 4.082,33 4.229,34 4.019,35 3.088,36 6.294,37 3.206,38 3.671,39 3.803,40 3.53,41 3.013,42 5.254,43 3,44 3.627,45 3.741,46 3.56,47 2.922,48 5.225,49 2.943,50 3.507,51 3.667,52 3.333,53 2.698,54 5.149,55 2.717,56 0.284,57 0.646,58 0.268,59 2.364,60 44.58,61 1.701,62 0.863,63 1.289,64 4.876,65 4.18,66 143.827,67 3.148,68 0.55,69 0.94,70 10.899,71 5.233,72 78.759,73 3.84,74 0.748,75 1.017,76 6.799,77 4.62,78 108.119,79 3.678,80 1.197,81 0.838,82 11.606,83 4.436,84 178.492,85 2.819,86 0.554,87 0.653,88 7.596,89 3.588,90 87.977,91 2.736,92 0.414,93 0.795,94 6.921,95 3.747,96 71.655,97 2.191,98 0.512,99 0.633,100 6.146,101 3.017,102 75.144,103 2.092,104 38,105 31,106 0.443,107 0.798,108 0.847,109 0.862,110 0.862,111 0.862,112 3.058,113 0.92,114 -3.87,115 -3.83,116 -3.63,117 40.7,118 1,124 1,125 2,126 1,128 1,131 1,132 1,133 1,134 1,139 1,140 1,141 5,143 1,144 3,145 4,150 1,151 1,153 2,154 2,155 2,156 1,157 3,160 1,165 1,168 6,172 1,174 1,176 2,183 2,186 2,193 1,194 498,195 12.488,196 12.488,197 12.488,198 12.488,199 12.488,200 11.012,201 16.001,202 7.134,203 13.276,204 10.356,205 10.356,206 10.356,207 10.356,208 10.356,209 8.083,210 20.57,211 3.413,212 11.778,213 2.489,214 0.676,215 0.426,216 0.352,217 0.352,218 0.352,219 3.702,221 1,223 1,224 1,225 322,226 3.536,227 57.815,228 70.577,229 1.13,230 42.042,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 47.333,241 158,242 4.599,243 4.473,244 7.285,245 4.289,246 3.406,247 4.134,248 12.427,249 3.074,250 4.113,251 3.572,252 6.085,253 3.69,254 2.785,255 3.713,256 1.058,257 8.687,258 2.475,259 3.867,260 2.924,261 5.547,262 3.47,263 2.575,264 3.056,266 7.517,267 2.274,268 3.642,269 2.778,270 5.084,271 3.102,272 2.267,273 3.005,275 6.166,276 1.832,277 3.128,278 2.178,279 4.713,280 2.729,281 1.819,282 2.307,283 5.104,284 1.611,285 2.753,286 2.024,287 4.387,288 2.243,289 1.308,290 1.764,291 3.786,292 1.168,293 2.571,294 1.29,295 3.83,296 2.023,297 1.104,298 1.593,299 2.818,300 1.002,301 2.205,302 0.812,303 3.271,304 1.637,305 0.721,306 1.061,307 1.715,308 0.643,309 1.171,310 0.527,311 2.923,312 0.715,313 -0.114,314 -0.136,315 -0.29,316 -0.082,317 1.022,318 0.51,319 2.585,320 0.543,321 -0.403,322 -0.532,323 -0.98,324 -0.343,325 0.642,326 0.51,327 2.332,328 0.137,329 -0.759,330 -0.961,331 -2.006,332 -0.641,333 0.417,334 0.304,335 2,336 0.131,337 -0.843,338 -1,339 -2.354,340 -0.7,341 0.098,342 -0.274,343 2,344 -0.3,345 -1,346 -1,347 -3,348 -0.7,350 -0.427,351 1.943,352 -0.3,353 -1,354 -1.038,355 -3,356 -0.819,358 -0.838,359 1.623,360 -0.339,361 -1.18,362 -1.542,364 -3.091,365 -0.927,366 9.438,367 0.472,368 0.816,369 0.041,370 25.25,371 1.263,372 12,373 0.6,374 13.25,375 0.663,376 15.184,377 0.759,378 22.362,379 0.828,380 18.94,381 0.947,382 5.069,383 0.253,384 4.201,385 0.21,386 0.255,387 0.053,388 0.318,389 3,390 0.647,391 0.947,392 0.573,393 0.797,394 0.639,395 0.759,396 0.395,397 0.675,398 0.588,399 0.803,400 0.402,401 0.746,402 0.694,403 0.925,404 1.279,405 1.456,406 0.689,407 1.283,408 1.004,409 1.142,410 0.757,411 1.011,412 1.045,413 1.009,414 0.898,415 0.732,416 0.723,417 0.637,418 1.051,419 0.606,420 0.928,421 0.975,422 1.006,423 1.152,424 0.983,425 1.007,426 1.044,427 1.329,428 0.987,429 1.406,430 1.086,431 1.158,432 1.451,433 1.509,434 0.767,435 0.946,436 1.367,437 1.158,438 6.5,440 2.667,441 2.132,442 1.511,443 0.809,444 0.34,445 0.315,446 0.239,447 0.06,448 3234,449 16847,450 1.899,451 25.9,453 2,455 1,456 1,457 3,459 1.622,460 1.702,461 2.952,462 -0.074,465 1,466 61.167,467 2.265,468 4.078,469 4.329,470 4.403,471 4.403,472 4.403,473 2.39,474 3.846,475 4.295,476 3.088,477 586.699,478 7.358,479 5952.69,480 1,481 1,483 1,484 128.382,485 1.788,486 4.189,487 0.31,489 0.086,490 0.076,491 0.054,492 0.03,493 0.019,494 0.019,495 0.018,496 0.01,497 0.622,498 0.5,499 1,500 0.953,501 87.487,502 -0.077,503 -0.096,504 -0.009,505 0.022,506 -0.102,507 0.016,508 0.456,509 0.329,510 0.194,511 0.138,512 0.434,513 0.113,514 0.005,515 -0.085,516 -0.349,517 -0.381,518 0.01,519 -0.344,520 -0.104,521 -0.3,522 0.059,523 -0.184,524 -0.118,525 -0.082,526 0.417,527 0.39,528 0.263,529 0.281,530 0.33,531 0.274,532 -0.067,533 -0.087,534 0.035,535 -0.067,536 -0.113,537 0.046,538 -0.166,539 -0.416,540 0.047,541 -0.323,542 -0.193,543 -0.173,544 -0.323,545 -0.371,546 0.153,547 -0.033,548 -0.27,549 -0.163,550 6.037,551 4.875,552 0.55,553 13.1,554 1.078,555 1.157,556 2.637,557 6.955,558 0.735,559 3.091,560 3.466,561 3.611,562 3.85,563 3.97,564 3.829,565 3.85,566 3.714,567 3.784,568 3.611,569 4.823,570 0.743,571 321.73,572 3.091,573 4.654,574 5.476,575 6.375,576 7.225,577 8.119,578 8.98,579 9.87,580 10.739,581 11.626,582 11.1,586 1,588 2,589 3,590 2,592 1,593 5,594 11,596 1,604 1,605 27,606 12,608 21,609 28,610 11,611 8,614 1,615 2,616 2,617 1,618 2,620 1,622 9,623 2,624 1,625 1,626 1,629 1,630 3,631 7,632 7,633 1,634 9,635 2,637 3,638 1,641 1,642 1,643 1,644 2,645 1,646 1,647 1,648 3,649 20,653 1,657 1,658 1,659 4,660 3.7,662 1,665 11.75,666 5.305,667 4.222,668 1.408,670 1.995,671 1.323,672 0.967,673 4.187,674 8.167,675 3.35,676 3.966,677 4.456,678 4.993,679 5.326,680 5.375,681 5.561,682 5.551,683 5.942,684 6.037,685 1,686 28,687 8.033,688 4.095,689 8.735,690 12.828,691 10.081,692 3.235,693 64.694,695 70.627,696 91.44,697 51.582,698 39.149,699 25.145,700 44.88,701 31.278,702 60.163,703 134.92,704 96.462,705 8.825,706 18.011,707 18.952,708 75.192,709 60.8,710 43.15,711 90.133,712 7.76,713 70.627,714 111.744,715 70.025,716 70.426,717 70.627,718 70.025,720 49.972,721 28.201,722 33.571,723 70.426,724 115.507,725 76.727,726 130.589,729 78.386,730 46.856,731 36.825,732 18.011,733 142.745,734 70.627,735 121.607,736 130.589,737 0.604,738 0.323,739 0.169,740 0.096,741 15,742 8,743 0.071,744 2,745 3.057,746 146.156,747 11,748 81.684,749 1,750 15.046,751 5.565,752 3.613,753 121.607,754 4.096,755 6.502,757 1.247,758 -1.239,759 18.011,760 322.823,761 27.5,762 11.875,763 -0.934,765 29.105,766 31.248,767 0.476,768 0.858,769 0.91,770 0.926,771 0.926,772 0.926,773 4.613,774 0.721,775 5.549,776 2.818,777 4.143,778 4.649,779 3.139,780 6.415,781 3.913,782 5.872,783 -0.114,784 7.16,785 1.715,786 4.111,787 4.649,788 3.903,789 7.67,790 3.681,791 7.214,792 -0.403,793 8.883,794 -0.29,795 5.861,796 6.842,797 5.431,798 10.671,799 5.421,800 8.588,801 -0.759,802 10.673,803 -0.98,804 6.553,805 7.554,806 6.69,807 12.712,808 5.934,809 9.988,810 -0.843,811 12.508,812 -2.006,813 7.911,814 9.303,815 8.059,816 15.366,817 7.261,818 11.408,819 -1,820 14.375,821 -2.354,822 8.899,823 10.347,824 9.388,825 17.705,826 8.106,827 12.843,828 -1,829 16.267,830 -3,831 10.138,832 11.907,833 10.734,834 20.263,835 9.283,836 3.406,837 -1.18,838 18.178,839 -3,840 11.251,841 13.121,842 12.074,843 22.714,844 10.278,845 2.785,846 12.427,847 20.104,848 -3.091,849 12.459,850 14.596,851 13.416,852 25.243,853 11.406,854 2.575,855 8.687,856 22.043,857 4.134,858 13.628,859 15.898,860 14.758,861 27.736,862 12.467,863 2.267,864 7.517,865 23.99,866 3.713,867 14.833,868 17.334,869 16.1,870 30.258,871 13.581,872 1.819,873 6.166,874 25.946,875 3.056,876 16.028,877 18.683,878 17.441,879 32.767,880 14.673,881 1.308,882 5.104,883 27.907,884 3.005,885 17.237,886 20.102,887 18.783,888 35.287,889 15.787,890 1.104,891 3.786,892 29.873,893 2.307,894 18.445,895 21.477,896 20.124,897 37.802,898 16.893,899 3363,900 7849,901 12.83,902 19.835,903 32.803,904 32.039,905 33.166,906 32.271,907 31.972,908 41.265,909 9.767,910 96.44,911 28.158,912 5.449,913 6.473,914 6.577,915 5.392,916 5.406,917 7.134,918 5.335,919 20.133,920 4.964,921 12.89,922 1.562,923 1.526,924 1.579,925 1.537,926 1.522,927 1.965,928 0.465,929 4.592,930 1.341,931 3.951,932 3.976,933 4.239,934 3.928,935 8.513,936 3.862,937 3.836,938 3.856,939 4,940 3.733,941 7.999,942 3.745,943 3.322,944 3.367,945 3.555,946 3.039,947 7.999,948 3.078,949 3.259,950 3.31,951 3.333,952 2.917,953 7.429,954 2.991,955 3.016,956 3.092,957 2.943,958 2.827,959 5.099,960 2.813,961 2.65,962 2.714,963 2.743,964 2.474,965 4.681,966 2.46,967 2.402,968 2.47,969 2.682,970 2.293,971 4.284,972 2.186,973 2.206,974 2.214,975 2.351,976 1.985,977 3.883,978 1.976,979 0.219,980 0.213,981 0.347,982 0.204,983 0.162,984 4.599,985 0.197,986 4.473,987 0.182,988 7.285,989 0.592,990 4.289,991 0.146,992 3.406,993 4.134,994 12.427,995 3.074,996 1.798,997 1.772,998 1.821,999 1.979,1000 0.888,1001 1.936,1002 1.568,1003 1.532,1004 1.758,1005 1.69,1006 0.882,1007 1.722,1008 1.442,1009 1.425,1010 1.514,1011 1.596,1012 0.658,1013 1.602,1014 0.995,1015 0.967,1016 1.157,1017 1.396,1018 0.217,1019 1.281,1020 0.982,1021 0.946,1022 1.018,1023 1.243,1025 1.232,1026 0.713,1027 0.644,1028 0.746,1029 0.873,1031 0.92,1032 0.47,1033 0.427,1034 0.601,1035 0.725,1037 0.734,1038 0.045,1040 0.367,1041 0.42,1043 0.427,1044 3.761,1045 5.118,1046 2.398,1047 6.637,1048 4.595,1049 8.236,1050 6.529,1051 9.884,1052 1.812,1053 5.339,1054 38.416,1058 2.367,1062 -4.787,1063 20.051,1064 61.167,1065 110.117,1066 116.872,1067 118.872,1068 118.872,1069 118.872,1070 49.939,1071 6.172,1072 54.88,1073 83.12,1074 11,1075 12.16,1076 3.7,1077 2.907,1078 36.249,1079 56,1080 60,1081 0.321,1082 131.373,1083 230.22,1084 312.309,1085 3042,1086 14.8,1087 14.914,1088 0.746,1089 0.576,1090 13.267,1091 11.527,1092 9.27,1093 0.441,1094 0.307,1095 5.211,1096 7.934,1097 5.018,1098 4.115,1099 8.755,1100 6.441,1101 9.552,1102 0.308,1103 0.174,1104 8.72,1105 5.389,1106 6.518,1107 0.181,1108 0.093,1109 6.655,1110 3.348,1111 5.321,1112 0.116,1113 0.05,1114 5.743,1115 2.32,1116 4.151,1117 0.08,1118 0.025,1119 3.556,1120 1.305,1121 0.485,1122 66.975,1123 0.279,1124 19.605,1125 0.934,1126 104,1127 570.756,1128 172.114,1129 516.842,1130 651.05,1131 474,1132 119,1133 406.777,1134 165.887,1135 416.655,1136 628.67,1137 388,1138 5.553}
{0 CHEMBL135133,1 2.111,2 9.625,3 4.005,4 16.037,5 73.051,6 12.322,7 0.48,8 3.586,9 3.663,10 3.505,11 3.068,12 5.048,13 3.168,14 4.143,15 4.243,16 4.089,17 3.38,18 6.438,19 3.512,20 4.208,21 4.331,22 3.983,23 3.476,24 5.935,25 3.573,26 4.349,27 4.503,28 4.001,29 3.357,30 6.137,31 3.512,32 4.287,33 4.444,34 4.078,35 3.143,36 6.458,37 3.338,38 3.797,39 3.922,40 3.559,41 3.014,42 5.555,43 3.104,44 3.857,45 4.012,46 3.494,47 3.005,48 5.531,49 3.114,50 3.888,51 4.04,52 3.595,53 2.827,54 6.027,55 3.005,56 0.56,57 0.956,58 0.429,59 2.6,60 104.494,61 1.55,62 1.432,63 1.891,64 2.987,65 4.318,66 260.387,67 2.511,68 1.136,69 1.39,70 3.245,71 4.814,72 182.771,73 3.629,74 1.664,75 1.504,76 10.124,77 5.805,78 277.537,79 4.119,80 1.703,81 0.94,82 14.491,83 4.997,84 299.635,85 3.355,86 0.815,87 0.773,88 3.559,89 3.052,90 142.462,91 2.069,92 0.959,93 1.007,94 6.092,95 3.588,96 153.38,97 2.546,98 1.222,99 0.925,100 6.32,101 3.61,102 219.947,103 2.129,104 69,105 38,106 0.402,107 0.687,108 0.76,109 0.824,110 0.824,111 0.824,112 3.228,113 0.773,114 -4.67,115 -4.59,116 -4.31,117 43.3,124 2,125 4,126 2,127 1,128 1,131 1,134 1,139 4,140 1,141 5,143 1,144 3,145 4,150 2,151 2,153 2,154 2,155 2,156 1,157 3,160 2,165 2,168 6,172 1,174 1,176 4,183 2,186 2,193 2,194 790,195 14.668,196 14.668,197 14.668,198 14.668,199 14.668,200 13.153,201 18.031,202 8.218,203 15.485,204 12.313,205 12.313,206 12.313,207 12.313,208 12.313,209 9.949,210 21.336,211 3.895,212 13.846,213 2.796,214 1.304,215 0.917,216 0.584,217 0.584,218 0.584,219 3.876,221 1,222 1,223 1,224 1,225 467,226 4.301,228 174.004,229 1.49,230 68.515,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 59.833,241 231,242 4.599,243 4.473,244 7.285,245 4.29,246 3.406,247 4.133,248 12.427,249 3.077,250 4.439,251 4.46,252 7.111,253 4.17,254 3.313,255 3.835,256 3.825,257 11.657,258 2.874,259 3.965,260 3.571,261 6.082,262 3.664,263 2.732,264 3.23,265 1.058,266 8.665,267 2.487,268 3.767,269 2.922,270 5.379,271 3.352,272 2.438,273 3.041,275 7.037,276 2.215,277 3.597,278 2.575,279 5.06,280 3.068,281 2.214,282 2.932,283 6.09,284 1.795,285 2.964,286 2.161,287 4.617,288 2.548,289 1.639,290 2.079,291 4.769,292 1.439,293 2.75,294 1.928,295 4.429,296 2.249,297 1.311,298 1.765,299 3.859,300 1.174,301 2.572,302 1.29,303 3.853,304 2.024,305 1.105,306 1.594,307 2.844,308 1.003,309 2.5,310 1,311 3.414,312 2,313 1,314 1.5,315 2.275,316 1,317 1.283,318 0.62,319 2.986,320 0.936,321 0.005,322 0.006,323 0.013,324 0.004,325 1.163,326 0.51,327 2.798,328 0.623,329 -0.263,330 -0.349,331 -0.612,332 -0.204,333 0.642,334 0.51,335 2.523,336 0.168,337 -0.758,338 -0.959,339 -2.07,340 -0.633,341 0.585,342 0.51,343 2.328,344 0.137,345 -0.842,346 -1,347 -2.356,348 -0.7,349 0.5,350 0.51,351 2,353 -1,354 -1,355 -3,356 -0.7,357 0.055,358 0.414,359 2,360 -0.3,361 -1,362 -1,364 -3,365 -0.7,366 10.462,367 0.436,368 1.105,369 0.046,370 30,371 1.25,372 14,373 0.583,374 16,375 0.667,376 17.371,377 0.724,378 27.938,379 0.931,380 27.529,381 1.147,382 6.416,383 0.267,384 4.566,385 0.19,386 0.264,387 0.096,388 0.287,389 6,390 0.685,391 0.956,392 0.486,393 0.923,394 0.714,395 0.803,396 0.424,397 0.657,398 0.502,399 0.863,400 0.428,401 0.915,402 0.69,403 0.877,404 0.658,405 1.064,406 0.665,407 1.166,408 1.168,409 1.11,410 1.066,411 1.083,412 1.132,413 1.137,414 1.06,415 0.806,416 1.023,417 0.764,418 1.159,419 0.81,420 0.78,421 0.703,422 0.915,423 0.958,424 0.89,425 1.177,426 1.054,427 1.092,428 1.097,429 1.098,430 0.955,431 1.185,432 1.327,433 1.259,434 1.148,435 0.861,436 1.196,437 0.923,438 8.5,439 0.223,440 3.778,441 2.313,442 1.893,443 1.09,444 0.447,445 0.439,446 0.296,447 0.227,448 5573,449 35930,450 1.861,451 20,453 4,455 1,456 1,459 1.668,460 1.655,461 3.197,462 -0.095,463 1,466 63.327,467 2.111,468 3.603,469 3.99,470 4.323,471 4.323,472 4.323,473 2.685,474 3.689,475 4.558,476 3.418,477 943.36,478 7.862,479 11124.1,481 1,482 1,483 1,484 147.207,485 1.855,486 4.433,487 0.34,488 0.016,489 0.099,490 0.063,491 0.054,492 0.035,493 0.02,494 0.02,495 0.014,496 0.015,497 0.677,498 0.5,499 1,500 1.018,501 114.036,502 -0.06,503 -0.096,504 -0.015,505 -0.043,506 -0.102,508 0.449,509 0.358,510 0.135,511 0.057,512 0.436,513 -0.123,514 0.014,515 -0.104,516 0.074,517 -0.188,518 0.022,519 -0.17,520 -0.272,521 -0.279,522 -0.09,523 -0.162,524 -0.232,525 -0.044,526 0.005,527 0.098,528 0.151,529 0.201,530 -0.069,531 0.269,532 -0.007,533 0.087,534 -0.064,535 -0.054,536 -0.122,537 -0.188,538 -0.225,539 -0.253,540 -0.145,541 -0.166,542 -0.16,543 -0.074,544 -0.239,545 -0.254,546 -0.107,547 0.13,548 -0.092,549 0.138,550 6.209,551 4.918,552 0.5,553 19.326,554 1.115,555 1.192,556 3.437,557 11.812,558 0.692,559 3.258,560 3.664,561 3.784,562 3.97,563 4.174,564 4.111,565 4.111,566 4.025,567 4.06,568 4.127,569 5.922,570 0.751,571 369.67,572 3.258,573 4.844,574 5.666,575 6.572,576 7.421,577 8.32,578 9.179,579 10.073,580 10.938,581 11.83,582 10,586 1,588 2,589 5,590 2,593 5,594 12,596 1,604 1,605 30,606 13,607 1,608 25,609 31,610 13,611 10,612 2,613 4,614 1,615 2,616 2,617 1,618 2,620 2,622 11,623 2,624 1,625 1,626 1,629 1,630 6,631 6,632 10,633 1,634 11,635 1,637 3,638 1,641 1,643 2,644 2,647 1,648 6,649 24,653 1,657 2,659 7,660 3.3,662 1,665 14.5,666 5.483,667 4.972,668 1.522,670 2.256,671 1.343,672 0.964,673 4.841,674 8.844,675 3.497,676 4.111,677 4.59,678 5.098,679 5.608,680 5.682,681 5.842,682 5.887,683 6.178,684 6.448,685 1,686 37,687 10.208,688 5.755,689 9.255,690 14.752,691 11.626,692 3.755,693 90.111,695 58.856,696 81.704,697 51.582,698 39.149,699 25.145,700 89.761,702 81.704,703 123.149,704 141.342,706 18.011,707 37.905,708 75.192,709 110.693,710 41.792,711 47.084,712 15.519,713 58.856,714 133.285,715 114.906,716 39.149,717 58.856,718 114.906,720 47.977,721 51.738,722 33.571,723 39.149,724 148.616,725 76.727,726 120.852,729 74.375,730 19.232,731 46.952,732 18.011,733 187.625,734 58.856,735 166.487,736 120.852,737 0.615,738 0.323,739 0.154,740 0.09,741 18,742 10,743 0.065,744 2,745 3.362,746 187.706,747 12,748 96.529,750 18.187,751 6.389,752 4.448,753 166.487,754 3.754,755 6.28,758 -4.255,759 18.011,760 346.195,761 32,762 11.918,763 -1.237,765 33.451,766 35.763,767 0.43,768 0.734,769 0.813,770 0.881,771 0.881,772 0.881,773 4.787,774 1.105,775 5.778,776 3.859,777 4.344,778 4.796,779 3.759,780 6.681,781 4.136,782 6.065,783 1,784 7.422,785 2.844,786 4.443,787 4.856,788 4.586,789 8.095,790 3.989,791 7.424,792 0.005,793 9.185,794 2.275,795 6.142,796 6.991,797 6.117,798 11.048,799 5.723,800 8.814,801 -0.263,802 11.014,803 0.013,804 6.929,805 7.71,806 7.382,807 13.168,808 6.278,809 10.228,810 -0.758,811 12.885,812 -0.612,813 8.276,814 9.457,815 8.751,816 15.797,817 7.615,818 11.662,819 -0.842,820 14.783,821 -2.07,822 9.317,823 10.48,824 10.082,825 18.157,826 8.469,827 13.109,828 -1,829 16.701,830 -2.356,831 10.561,832 12.058,833 11.427,834 20.694,835 9.655,836 3.406,837 -1,838 18.632,839 -3,840 11.702,841 13.244,842 12.767,843 23.141,844 10.642,845 3.313,846 12.427,847 20.573,848 -3,849 12.916,850 14.737,851 14.11,852 25.651,853 11.77,854 2.732,855 11.657,856 22.522,857 4.133,858 14.096,859 16.015,860 15.451,861 28.13,862 12.819,863 2.438,864 8.665,865 24.476,866 3.835,867 15.304,868 17.464,869 16.793,870 30.633,871 13.927,872 2.214,873 7.037,874 26.435,875 3.23,876 16.502,877 18.795,878 18.134,879 33.125,880 15.004,881 1.639,882 6.09,883 28.398,884 3.041,885 17.71,886 20.222,887 19.476,888 35.627,889 16.107,890 1.311,891 4.769,892 30.363,893 2.932,894 18.916,895 21.585,896 20.818,897 38.125,898 17.199,899 5774,900 14781,901 14.909,902 20.762,903 39.274,904 37.856,905 39.738,906 38.843,907 38.327,908 48.23,909 17.418,910 119.272,911 34.133,912 5.444,913 6.473,914 6.699,915 5.36,916 5.406,917 7.133,918 5.335,919 20.133,920 5.077,921 17.352,922 1.571,923 1.514,924 1.59,925 1.554,926 1.533,927 1.929,928 0.697,929 4.771,930 1.365,931 3.975,932 4.006,933 4.018,934 3.87,935 8.517,936 3.878,937 3.87,938 3.902,939 3.888,940 3.729,941 8.509,942 3.755,943 3.412,944 3.456,945 3.563,946 3.118,947 7.999,948 3.175,949 3.282,950 3.331,951 3.414,952 2.922,953 7.999,954 2.991,955 3.165,956 3.192,957 3.246,958 2.87,959 7.999,960 2.931,961 2.854,962 2.925,963 2.885,964 2.735,965 7.999,966 2.715,967 2.683,968 2.741,969 2.687,970 2.447,971 7.429,972 2.474,973 2.496,974 2.551,975 2.464,976 2.196,977 5.099,978 2.249,979 0.184,980 0.179,981 0.291,982 0.172,983 0.136,984 4.599,985 0.165,986 4.473,987 0.153,988 7.285,989 0.497,990 4.29,991 0.123,992 3.406,993 4.133,994 12.427,995 3.077,996 1.912,997 1.886,998 2.004,999 2.032,1000 1.101,1001 2.018,1002 1.778,1003 1.751,1004 1.803,1005 1.943,1006 0.87,1007 1.909,1008 1.205,1009 1.168,1010 1.274,1011 1.536,1012 0.308,1013 1.448,1014 0.986,1015 0.947,1016 1.181,1017 1.397,1018 0.218,1019 1.275,1020 0.934,1021 0.917,1022 1.02,1023 1.282,1025 1.188,1026 0.886,1027 0.821,1028 0.964,1029 1.062,1031 1.107,1032 0.551,1033 0.495,1034 0.646,1035 0.823,1037 0.814,1038 0.335,1039 0.284,1040 0.548,1041 0.685,1043 0.653,1044 3.932,1045 5.313,1047 6.864,1049 8.489,1051 10.154,1053 5.287,1054 75.856,1058 2.039,1062 -9.532,1063 22.54,1064 63.327,1065 108.087,1066 119.697,1067 129.697,1068 129.697,1069 129.697,1070 86.759,1071 6.588,1072 54.88,1073 54.88,1074 12,1075 12.363,1076 3.807,1077 3,1078 48.519,1079 85,1080 74,1081 0.284,1082 140.093,1083 261.88,1084 333.588,1085 5403,1086 23.3,1087 18.121,1088 0.755,1089 0.504,1090 13.621,1091 12.091,1092 10.981,1093 0.439,1094 0.258,1095 5.882,1096 9.853,1097 5.869,1098 4.755,1099 8.847,1100 6.444,1101 11.851,1102 0.312,1103 0.125,1104 8.306,1105 4.766,1106 7.786,1107 0.181,1108 0.068,1109 6.331,1110 2.925,1111 6.046,1112 0.116,1113 0.035,1114 5.069,1115 1.817,1116 4.971,1117 0.078,1118 0.018,1119 3.69,1120 1.181,1121 0.443,1122 75.411,1123 0.259,1124 23.302,1125 0.785,1126 126,1127 846.229,1128 184.952,1129 677.655,1130 833.67,1131 618,1132 144,1133 529.034,1134 182.99,1135 504.452,1136 776.57,1137 469,1138 6.31}
{0 CHEMBL334485,1 2.203,2 8.091,3 4.391,4 19.282,5 76.687,6 13.724,7 0.522,8 3.475,9 3.539,10 3.508,11 3.074,12 4.898,13 3.124,14 3.979,15 4.061,16 4.044,17 3.411,18 6.029,19 3.471,20 4.107,21 4.207,22 4.001,23 3.51,24 5.741,25 3.528,26 4.134,27 4.25,28 4.165,29 3.372,30 5.886,31 3.451,32 4.126,33 4.236,34 4.079,35 3.183,36 6.341,37 3.302,38 3.711,39 3.8,40 3.737,41 3.064,42 5.531,43 3.123,44 3.689,45 3.812,46 3.614,47 3.063,48 5.322,49 3.095,50 3.721,51 3.838,52 3.764,53 2.933,54 5.49,55 2.995,56 0.384,57 0.603,58 1.843,59 1.822,60 55.691,61 1.201,62 0.925,63 1.202,64 3.588,65 3.356,66 147.18,67 2.021,68 0.831,69 0.896,70 11.804,71 4.179,72 99.353,73 3.005,74 0.982,75 0.973,76 14.48,77 4.604,78 135.796,79 3.743,80 1.24,81 0.799,82 15.133,83 4.817,84 189.662,85 2.632,86 0.705,87 0.601,88 5.704,89 3.052,90 99.978,91 2.065,92 0.605,93 0.676,94 7.016,95 2.88,96 73.18,97 2.155,98 0.825,99 0.648,100 9.024,101 3.421,102 121.147,103 1.943,104 51,105 34,106 0.43,107 0.737,108 0.815,109 0.835,110 0.835,111 0.835,112 3.147,113 0.87,114 -4.55,115 -4.47,116 -4.21,117 44.4,124 1,125 3,126 1,127 3,128 1,131 1,134 1,140 1,141 5,143 1,144 3,145 7,153 2,154 2,155 2,156 3,157 6,168 8,172 1,174 3,183 6,186 2,194 612,195 13.643,196 13.643,197 13.643,198 13.643,199 13.643,200 12.012,201 16.778,202 7.796,203 14.482,204 11.356,205 11.356,206 11.356,207 11.356,208 11.356,209 8.833,210 21.637,211 3.739,212 12.923,213 2.552,214 0.973,215 0.574,216 0.472,217 0.472,218 0.472,219 3.794,220 2,221 1,223 1,224 1,225 361,226 3.606,228 153.133,229 1.19,230 49.199,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 52,241 178,242 4.599,243 4.473,244 7.285,245 4.29,246 3.406,247 4.134,248 12.427,249 3.077,250 4.176,251 3.574,252 6.087,253 3.751,254 2.82,255 3.812,256 1.058,257 8.71,258 2.582,259 3.886,260 3.131,261 5.654,262 3.533,263 2.621,264 3.067,266 7.835,267 2.334,268 3.654,269 2.919,270 5.105,271 3.116,272 2.286,273 3.018,275 6.234,276 1.839,277 3.275,278 2.623,279 4.879,280 2.84,281 1.939,282 2.523,283 5.588,284 1.663,285 3.232,286 2.287,287 4.618,288 2.707,289 1.879,290 2.481,291 4.963,292 1.441,293 2.77,294 2.133,295 4.428,296 2.258,297 1.32,298 1.785,299 3.859,300 1.179,301 2.572,302 1.29,303 3.846,304 2.024,305 1.105,306 1.594,307 2.836,308 1.002,309 1.207,310 0.583,311 2.963,312 0.842,313 -0.066,314 -0.079,315 -0.176,316 -0.052,317 1.156,318 0.51,319 2.703,320 0.609,321 -0.309,322 -0.421,323 -0.768,324 -0.229,325 1,326 0.51,327 2.382,328 0.473,329 -0.347,330 -0.445,331 -0.891,332 -0.246,333 0.702,334 0.385,335 2.359,336 0.205,337 -0.586,338 -0.689,339 -1.357,340 -0.342,341 0.642,342 0.245,343 2.173,344 0.137,345 -0.76,346 -0.972,347 -2.352,348 -0.642,349 0.153,350 0.173,351 2,352 -0.3,353 -1,354 -1,355 -2.963,356 -0.7,357 0.018,358 -0.279,359 2,360 -0.3,361 -1,362 -1,364 -3,365 -0.7,366 10.533,367 0.479,368 0.922,369 0.042,370 28.75,371 1.307,372 14,373 0.636,374 14.75,375 0.67,376 16.567,377 0.753,378 24.267,379 0.899,380 22.979,381 1.044,382 5.882,383 0.267,384 4.282,385 0.195,386 0.316,387 0.047,388 0.332,389 3,390 0.698,391 0.959,392 0.492,393 0.707,394 0.686,395 0.668,396 0.497,397 0.712,398 0.574,399 0.738,400 0.453,401 0.811,402 0.826,403 0.786,404 1.103,405 1.036,406 0.766,407 1.232,408 0.978,409 1.117,410 0.701,411 0.994,412 1.034,413 0.953,414 1.064,415 0.759,416 1.175,417 0.95,418 1.222,419 1,420 0.902,421 0.952,422 0.783,423 1.038,424 0.979,425 1.021,426 1.075,427 1.161,428 0.936,429 0.884,430 0.895,431 0.95,432 1.812,433 1.507,434 1.601,435 1.181,436 1.788,437 1.135,438 7.5,439 0.012,440 2.667,441 2.5,442 1.804,443 0.847,444 0.407,445 0.384,446 0.345,447 0.148,448 4179,449 25908,450 1.883,451 18.5,453 3,455 1,456 1,459 1.649,460 1.682,461 3.005,462 -0.086,466 59.488,467 2.203,468 3.782,469 4.18,470 4.282,471 4.282,472 4.282,473 2.431,474 3.664,475 4.435,476 3.177,477 733.812,478 7.637,479 8049.35,481 1,483 1,484 128.382,485 1.78,486 4.322,487 0.326,488 0.004,489 0.078,490 0.076,491 0.055,492 0.029,493 0.019,494 0.018,495 0.018,496 0.011,497 0.634,498 0.5,499 1,500 0.931,501 99.999,502 -0.079,503 -0.114,504 -0.013,505 -0.019,506 -0.104,507 0.01,508 0.356,509 0.313,510 0.038,511 0.068,512 0.397,513 -0.078,514 -0.088,515 -0.032,516 -0.246,517 -0.185,518 -0.067,519 -0.29,520 -0.08,521 -0.294,522 0.216,523 -0.056,524 -0.109,525 0.12,526 0.167,527 0.371,528 -0.2,529 0.114,530 0.13,531 -0.03,532 -0.001,533 -0.079,534 0.069,535 -0.121,536 -0.059,537 -0.041,538 -0.24,539 -0.295,540 -0.038,541 0.034,542 -0.102,543 0.116,544 -0.582,545 -0.262,546 -0.365,547 -0.037,548 -0.572,549 -0.096,550 6.106,551 4.995,552 0.545,553 14.909,554 1.099,555 1.156,556 3.316,557 10.996,558 0.774,559 3.178,560 3.555,561 3.689,562 3.951,563 4.111,564 4.025,565 3.932,566 3.912,567 3.989,568 3.871,569 5.172,570 0.797,571 370.55,572 3.178,573 4.745,574 5.565,575 6.466,576 7.31,577 8.208,578 9.062,579 9.957,580 10.818,581 11.711,582 11.1,586 1,588 2,589 4,590 2,593 6,594 12,596 1,604 3,605 27,606 13,607 1,608 23,609 28,610 12,611 10,612 3,613 3,614 1,615 2,616 2,617 3,618 1,620 1,622 11,623 1,624 1,625 1,626 1,629 1,630 3,631 5,632 7,633 1,634 10,635 3,637 3,638 1,641 1,643 2,644 2,647 3,648 3,649 22,653 1,657 1,659 6,660 3.7,662 1,665 13.083,666 5.007,667 4.639,668 1.368,670 2.259,671 1.353,672 0.965,673 4.927,674 8.66,675 3.434,676 4.06,677 4.543,678 5.098,679 5.561,680 5.635,681 5.642,682 5.82,683 6.135,684 6.347,685 1,686 33,687 8.81,688 4.515,689 8.807,690 13.85,691 10.844,692 3.307,693 72.75,695 47.084,696 68.284,697 51.582,698 117.446,699 25.145,700 44.88,702 68.284,703 189.675,704 96.462,706 18.011,707 28.429,708 75.192,709 69.628,710 41.792,711 35.313,712 86.057,713 47.084,714 119.865,715 70.025,716 117.446,717 47.084,718 70.025,720 40.217,721 46.077,722 111.868,723 39.149,724 91.965,725 76.727,726 185.729,729 54.844,730 23.048,731 37.476,732 18.011,733 221.042,734 47.084,735 121.607,736 185.729,737 0.603,738 0.32,739 0.172,740 0.098,741 16,742 9,743 0.071,744 2,745 3.195,746 167.485,747 12,748 87.353,750 16.972,751 6.387,752 4.312,753 121.607,754 4.76,755 6.451,758 -2.26,759 18.011,760 354.421,761 30,762 11.995,763 -1.067,765 29.676,766 31.216,767 0.463,768 0.795,769 0.879,770 0.901,771 0.901,772 0.901,773 4.7,774 1.105,775 5.638,776 3.859,777 4.234,778 4.745,779 3.139,780 6.5,781 4,782 5.965,783 -0.066,784 7.245,785 2.836,786 4.205,787 4.771,788 3.903,789 7.719,790 3.735,791 7.308,792 -0.309,793 8.96,794 -0.176,795 5.943,796 6.946,797 5.431,798 10.725,799 5.524,800 8.679,801 -0.347,802 10.741,803 -0.768,804 6.608,805 7.627,806 6.69,807 12.732,808 5.986,809 10.074,810 -0.586,811 12.565,812 -0.891,813 7.971,814 9.402,815 8.059,816 15.392,817 7.361,818 11.487,819 -0.76,820 14.422,821 -1.357,822 8.938,823 10.407,824 9.388,825 17.716,826 8.167,827 12.917,828 -1,829 16.305,830 -2.352,831 10.18,832 12.002,833 10.734,834 20.274,835 9.373,836 3.406,837 -1,838 18.209,839 -2.963,840 11.282,841 13.182,842 12.074,843 22.719,844 10.342,845 2.82,846 12.427,847 20.129,848 -3,849 12.49,850 14.687,851 13.416,852 25.248,853 11.483,854 2.621,855 8.71,856 22.062,857 4.134,858 13.652,859 15.965,860 14.758,861 27.739,862 12.528,863 2.286,864 7.835,865 24.006,866 3.812,867 14.856,868 17.421,869 16.1,870 30.26,871 13.646,872 1.939,873 6.234,874 25.958,875 3.067,876 16.047,877 18.755,878 17.441,879 32.768,880 14.728,881 1.879,882 5.588,883 27.917,884 3.018,885 17.254,886 20.186,887 18.783,888 35.288,889 15.841,890 1.32,891 4.963,892 29.881,893 2.523,894 18.459,895 21.551,896 20.124,897 37.803,898 16.941,899 4338,900 10921,901 13.929,902 20.903,903 35.459,904 35.78,905 36.512,906 35.195,907 34.753,908 44.829,909 9.767,910 104.9,911 30.235,912 5.443,913 6.473,914 6.57,915 5.36,916 5.406,917 7.134,918 5.335,919 20.134,920 5.077,921 14.982,922 1.542,923 1.556,924 1.587,925 1.53,926 1.511,927 1.949,928 0.425,929 4.561,930 1.315,931 3.961,932 3.988,933 4.096,934 3.872,935 8.513,936 3.871,937 3.853,938 3.878,939 3.997,940 3.729,941 7.999,942 3.751,943 3.325,944 3.361,945 3.582,946 3.049,947 7.999,948 3.092,949 3.259,950 3.301,951 3.567,952 2.916,953 7.429,954 2.991,955 2.901,956 2.918,957 3.382,958 2.849,959 5.101,960 2.815,961 2.834,962 2.864,963 3.096,964 2.717,965 5.02,966 2.714,967 2.577,968 2.632,969 2.79,970 2.351,971 4.632,972 2.367,973 2.264,974 2.331,975 2.355,976 1.899,977 4.303,978 1.983,979 0.2,980 0.194,981 0.317,982 0.187,983 0.148,984 4.599,985 0.18,986 4.473,987 0.166,988 7.285,989 0.54,990 4.29,991 0.134,992 3.406,993 4.134,994 12.427,995 3.077,996 1.886,997 1.868,998 1.935,999 2.007,1000 1.061,1001 1.987,1002 1.772,1003 1.747,1004 1.794,1005 1.908,1006 0.867,1007 1.892,1008 1.132,1009 1.098,1010 1.219,1011 1.448,1012 0.224,1013 1.374,1014 0.986,1015 0.946,1016 1.019,1017 1.369,1018 0.105,1019 1.269,1020 0.849,1021 0.827,1022 1,1023 0.962,1025 1.004,1026 0.768,1027 0.741,1028 0.897,1029 0.94,1031 0.944,1032 0.468,1033 0.419,1034 0.626,1035 0.748,1037 0.748,1038 0.051,1040 0.369,1041 0.465,1043 0.452,1044 3.85,1045 5.209,1047 6.739,1049 8.354,1051 10.015,1053 16.833,1054 38.654,1058 2.241,1062 -4.856,1063 21.519,1064 59.488,1065 102.117,1066 112.872,1067 115.627,1068 115.627,1069 115.627,1070 62.927,1071 6.4,1072 54.88,1073 54.88,1074 12,1075 12.244,1076 3.807,1077 3,1078 42.05,1079 68,1080 56,1081 0.31,1082 143.572,1083 256.79,1084 342.076,1085 4181,1086 22.2,1087 16.491,1088 0.75,1089 0.575,1090 15.491,1091 12.648,1092 10.164,1093 0.442,1094 0.29,1095 5.49,1096 8.714,1097 5.354,1098 4.346,1099 9.818,1100 6.672,1101 10.551,1102 0.31,1103 0.154,1104 9.781,1105 5.222,1106 6.99,1107 0.179,1108 0.077,1109 6.944,1110 3.011,1111 6.088,1112 0.119,1113 0.044,1114 6.605,1115 2.226,1116 4.622,1117 0.077,1118 0.02,1119 3.895,1120 1.229,1121 0.473,1122 74.607,1123 0.268,1124 21.331,1125 0.892,1126 114,1127 630.302,1128 186.973,1129 613.525,1130 756.4,1131 560,1132 130,1133 448.76,1134 178.031,1135 463.066,1136 695.39,1137 431,1138 6.301}
{0 CHEMBL335080,1 2.007,2 10.538,3 5.194,4 26.978,5 95.202,6 9.933,7 0.444,8 3.827,9 3.938,10 3.6,11 3.343,12 5.076,13 3.358,14 4.369,15 4.529,16 4.07,17 3.694,18 6.113,19 3.693,20 4.563,21 4.765,22 4.062,23 3.783,24 5.913,25 3.755,26 4.556,27 4.757,28 4.23,29 3.677,30 6.044,31 3.707,32 4.541,33 4.733,34 4.056,35 3.582,36 6.386,37 3.62,38 4.35,39 4.523,40 3.942,41 3.553,42 5.885,43 3.577,44 4.393,45 4.58,46 3.911,47 3.544,48 5.887,49 3.576,50 4.402,51 4.581,52 3.976,53 3.443,54 5.972,55 3.487,56 0.259,57 0.798,58 4.247,59 3.49,60 36.872,61 3.656,62 0.981,63 1.481,64 12.218,65 6.175,66 153.171,67 6.766,68 0.876,69 1.213,70 24.132,71 7.402,72 100.449,73 9.034,74 0.922,75 1.31,76 24.069,77 6.886,78 103.81,79 7.795,80 1.464,81 1.283,82 23.905,83 6.12,84 195.915,85 6.633,86 0.865,87 1.177,88 15.164,89 6.102,90 122.023,91 5.922,92 0.882,93 1.303,94 14.82,95 5.949,96 119.484,97 5.254,98 1.139,99 1.265,100 20.754,101 6.434,102 171.698,103 5.134,104 57,105 38,106 0.358,107 0.711,108 0.823,109 0.852,110 0.852,111 0.852,112 3.304,113 0.935,114 -4.87,115 -4.78,116 -4.48,117 39,118 1,119 2,121 1,124 1,125 3,126 1,127 3,128 1,131 1,134 1,139 2,140 1,141 3,143 3,144 4,145 8,150 1,153 2,154 4,155 2,156 5,157 5,160 2,168 9,170 1,171 1,174 4,180 1,183 7,185 3,186 1,189 1,192 1,194 1100,195 16.635,196 16.635,197 16.635,198 16.635,199 16.635,200 15.056,201 23.083,202 9.929,203 17.372,204 13.321,205 13.321,206 13.321,207 13.321,208 13.321,209 10.817,210 34.443,211 4.73,212 14.676,213 3.35,214 1.367,215 0.738,216 0.573,217 0.573,218 0.573,219 3.961,220 2,223 1,224 1,225 555,226 4.123,228 191.705,229 2.041,230 52.08,232 1,233 1,234 1,235 0.8,236 0.5,237 1,238 1,239 0.9,240 60.167,241 274,242 4.602,243 4.473,244 7.285,245 4.293,246 3.407,247 4.139,248 12.431,249 3.085,250 4.176,251 3.573,252 6.088,253 3.751,254 2.821,255 3.812,256 1.058,257 8.715,258 2.585,259 3.891,260 3.131,261 5.655,262 3.54,263 2.632,264 3.086,265 0.4,266 7.847,267 2.334,268 3.725,269 2.703,270 5.343,271 3.317,272 2.399,273 3.064,275 6.948,276 2.178,277 3.285,278 2.623,279 4.917,280 2.877,281 1.963,282 2.531,283 5.687,284 1.729,285 3.232,286 2.275,287 4.618,288 2.707,289 1.879,290 2.481,291 4.963,292 1.585,293 2.824,294 2.114,295 4.478,296 2.606,297 1.627,298 1.847,299 4.018,300 1.441,301 2.614,302 1.631,303 3.847,304 2.298,305 1.332,306 1.625,307 3.067,308 1.258,309 2.568,310 1.289,311 3.612,312 2.028,313 1.111,314 1.578,315 2.829,316 1.007,317 1.811,318 0.897,319 3,320 1.682,321 0.726,322 0.77,323 1.286,324 0.692,325 1.197,326 0.522,327 2.849,328 0.897,329 -0.051,330 -0.059,331 -0.113,332 -0.048,333 1.12,334 0.51,335 2.689,336 0.749,337 -0.248,338 -0.309,339 -0.582,340 -0.229,341 1,342 0.51,343 2.382,344 0.473,345 -0.347,346 -0.445,347 -0.891,348 -0.233,349 0.707,350 0.257,351 2.272,352 0.384,353 -0.545,354 -0.63,355 -1.208,356 -0.331,357 0.675,358 0.173,359 2.172,360 0.205,361 -0.614,362 -0.759,364 -1.379,365 -0.556,366 12.219,367 0.47,368 0.884,369 0.034,370 31.5,371 1.212,372 14.5,373 0.558,374 17,375 0.654,376 22.42,377 0.862,378 29.781,379 0.726,380 26.264,381 1.01,382 6.164,383 0.237,384 6.038,385 0.232,386 0.255,387 0.041,388 0.286,389 3,390 0.624,391 1.106,392 0.523,393 0.942,394 0.602,395 0.877,396 0.439,397 0.785,398 0.561,399 0.854,400 0.381,401 0.896,402 0.669,403 0.817,404 0.879,405 0.948,406 0.601,407 0.921,408 0.817,409 1.092,410 0.535,411 0.879,412 0.829,413 0.774,414 0.94,415 0.699,416 0.951,417 0.743,418 1.049,419 0.809,420 1.102,421 1.212,422 0.731,423 0.972,424 1.188,425 0.927,426 1.493,427 1.403,428 0.873,429 0.863,430 1.456,431 0.886,432 1.914,433 1.669,434 1.28,435 1.151,436 2.043,437 1.059,438 7.5,439 0.054,440 2.667,441 2.5,442 1.844,443 1.104,444 0.631,445 0.552,446 0.464,447 0.168,448 6951,449 29904,450 1.901,451 36.6,452 5,453 5,455 1,456 2,458 2,459 1.694,460 1.724,461 3.319,462 0.403,466 82.301,467 2.007,468 3.991,469 4.619,470 4.784,471 4.784,472 4.784,473 2.936,474 3.95,475 4.665,476 3.529,477 1146.96,478 8.106,479 14363.4,484 219.66,485 1.725,486 4.583,487 0.278,488 0.005,489 0.07,490 0.066,491 0.047,492 0.031,493 0.02,494 0.018,495 0.017,496 0.007,497 0.558,498 0.17,499 1,500 1.517,501 127.15,502 -0.066,503 -0.13,504 -0.005,505 -0.035,506 -0.082,507 -0.001,508 0.378,509 0.252,510 0.13,511 0.067,512 0.422,513 0.013,514 0.032,515 -0.064,516 0.036,517 -0.019,518 0.04,519 0.076,520 0.043,521 -0.247,522 0.322,523 0.012,524 0.026,525 0.171,526 0.263,527 0.394,528 -0.063,529 0.156,530 0.228,531 0.054,532 -0.078,533 -0.099,534 0.03,535 -0.028,536 -0.105,537 -0.009,538 -0.358,539 -0.193,540 -0.102,541 0.061,542 -0.265,543 -0.007,544 -0.41,545 -0.24,546 -0.196,547 -0.111,548 -0.447,549 -0.163,550 6.067,551 5.304,552 0.462,553 24.793,554 1.049,555 1.157,556 3.64,557 13.246,558 0.685,559 3.332,560 3.664,561 3.807,562 4.06,563 4.234,564 4.248,565 4.248,566 4.277,567 4.344,568 4.22,569 6.271,570 0.679,571 407.25,572 3.332,573 4.875,574 5.687,575 6.572,576 7.412,577 8.302,578 9.155,579 10.046,580 10.907,581 11.799,582 9.8,584 1,586 1,588 2,589 4,590 2,593 6,594 12,596 1,600 1,604 2,605 41,606 13,607 1,608 27,609 42,610 16,611 10,612 3,613 3,614 1,615 2,616 2,617 2,618 2,620 1,621 2,622 11,623 5,624 1,625 1,626 1,630 3,631 15,632 8,633 2,634 10,635 2,637 4,638 1,641 1,643 2,644 2,646 1,647 2,648 3,649 26,652 3,653 2,657 1,659 5,660 2.4,662 1,665 15.083,666 7.614,667 5.722,668 2.52,670 2.215,671 1.329,672 0.95,673 6.958,674 8.943,675 3.555,676 4.127,677 4.605,678 5.155,679 5.626,680 5.769,681 5.885,682 6.068,683 6.342,684 6.527,685 1,686 38,687 10.324,688 5.03,689 8.486,690 17.146,691 13.379,692 2.986,693 77.639,694 1,695 153.024,696 83.54,697 69.593,698 78.297,699 25.145,700 44.88,702 83.54,703 256.467,704 114.473,705 8.825,706 25.186,707 28.429,708 93.202,709 69.628,710 1.899,711 141.253,712 86.057,713 153.024,714 153.132,715 70.025,716 78.297,717 129.482,718 93.567,720 55.473,721 46.077,722 129.879,724 197.905,725 94.737,726 161.837,729 160.784,730 29.479,731 46.301,732 36.022,733 181.894,734 153.024,735 139.618,736 161.837,737 0.582,738 0.31,739 0.166,740 0.093,741 16,742 9,743 0.143,744 6,745 3.614,746 206.128,747 12,748 111.457,750 20.596,751 8.784,752 5.912,753 139.618,754 4.992,755 7.241,758 -1.586,759 36.022,760 454.479,761 34,762 12.278,763 -1.018,765 42.989,766 47.431,767 0.375,768 0.745,769 0.862,770 0.893,771 0.893,772 0.893,773 4.804,774 1.332,775 5.727,776 4.018,777 4.344,778 4.812,779 3.153,780 6.564,781 4.156,782 6.034,783 1.111,784 7.313,785 3.067,786 4.205,787 4.771,788 3.903,789 7.743,790 3.792,791 7.36,792 0.726,793 9.012,794 2.829,795 6.014,796 6.976,797 5.432,798 10.758,799 5.647,800 8.719,801 -0.051,802 10.782,803 1.286,804 6.621,805 7.638,806 6.69,807 12.751,808 6.048,809 10.106,810 -0.248,811 12.598,812 -0.113,813 8.014,814 9.421,815 8.059,816 15.408,817 7.447,818 11.515,819 -0.347,820 14.45,821 -0.582,822 8.955,823 10.421,824 9.388,825 17.726,826 8.219,827 12.94,828 -0.545,829 16.328,830 -0.891,831 10.207,832 12.017,833 10.734,834 20.282,835 9.434,836 3.407,837 -0.614,838 18.228,839 -1.208,840 11.297,841 13.197,842 12.074,843 22.725,844 10.386,845 2.821,846 12.431,847 20.145,848 -1.379,849 12.508,850 14.701,851 13.416,852 25.254,853 11.53,854 2.632,855 8.715,856 22.075,857 4.139,858 13.665,859 15.979,860 14.758,861 27.744,862 12.568,863 2.399,864 7.847,865 24.017,866 3.812,867 14.869,868 17.436,869 16.1,870 30.265,871 13.688,872 1.963,873 6.948,874 25.967,875 3.086,876 16.057,877 18.77,878 17.441,879 32.773,880 14.768,881 1.879,882 5.687,883 27.924,884 3.064,885 17.264,886 20.201,887 18.783,888 35.293,889 15.882,890 1.627,891 4.963,892 29.887,893 2.531,894 18.468,895 21.567,896 20.124,897 37.808,898 16.983,899 7183,900 15151,901 16.701,902 28.097,903 40.27,904 40.626,905 41.46,906 40.199,907 39.794,908 49.864,909 10.567,910 115.581,911 35.787,912 5.455,913 6.473,914 7.195,915 5.364,916 5.407,917 7.139,918 5.335,919 20.139,920 5.085,921 17.136,922 1.491,923 1.505,924 1.536,925 1.489,926 1.474,927 1.847,928 0.391,929 4.281,930 1.325,931 3.971,932 4.007,933 4.093,934 3.873,935 8.513,936 3.874,937 3.864,938 3.894,939 3.911,940 3.734,941 7.999,942 3.758,943 3.672,944 3.741,945 3.582,946 3.524,947 7.999,948 3.508,949 3.341,950 3.414,951 3.517,952 3.091,953 7.429,954 3.12,955 3.322,956 3.361,957 3.384,958 2.978,959 5.025,960 3.035,961 3.109,962 3.193,963 3.291,964 2.849,965 4.94,966 2.866,967 2.901,968 2.918,969 3.034,970 2.837,971 4.632,972 2.815,973 2.822,974 2.885,975 2.852,976 2.664,977 4.225,978 2.667,979 0.17,980 0.166,981 0.27,982 0.159,983 0.126,984 4.602,985 0.153,986 4.473,987 0.142,988 7.285,989 0.46,990 4.293,991 0.114,992 3.407,993 4.139,994 12.431,995 3.085,996 1.888,997 1.868,998 1.978,999 2.031,1000 1.256,1001 2.003,1002 1.796,1003 1.76,1004 1.934,1005 1.936,1006 1.061,1007 1.944,1008 1.675,1009 1.61,1010 1.813,1011 1.852,1012 0.883,1013 1.866,1014 1.268,1015 1.187,1016 1.579,1017 1.544,1018 0.743,1019 1.552,1020 1.102,1021 1.053,1022 1.238,1023 1.446,1024 0.27,1025 1.364,1026 0.969,1027 0.911,1028 1.114,1029 1.322,1030 0.213,1031 1.266,1032 0.849,1033 0.827,1034 1.016,1035 1.029,1036 0.105,1037 1.059,1038 0.785,1039 0.731,1040 1,1041 0.962,1043 1.004,1044 4.007,1045 5.333,1047 6.836,1049 8.432,1051 10.081,1052 1.944,1053 11.632,1054 39.911,1057 2.046,1058 5.016,1062 -4.817,1063 27.82,1064 82.301,1065 163.621,1066 189.395,1067 196.15,1068 196.15,1069 196.15,1070 83.547,1071 6.729,1072 66.91,1073 66.91,1074 12,1075 12.333,1076 3.807,1077 3,1078 54.828,1079 94,1080 122,1081 0.283,1082 180.403,1083 321.78,1084 431.944,1085 6443,1086 12.2,1087 19.32,1088 0.743,1089 0.582,1090 17.82,1091 15.135,1092 12.202,1093 0.452,1094 0.312,1095 7.561,1096 10.966,1097 7.387,1098 6.119,1099 11.568,1100 8.415,1101 11.808,1102 0.311,1103 0.164,1104 10.629,1105 6.219,1106 8.053,1107 0.183,1108 0.083,1109 7.744,1110 3.672,1111 6.91,1112 0.121,1113 0.045,1114 7.123,1115 2.577,1116 5.155,1117 0.076,1118 0.021,1119 4.406,1120 1.4,1121 0.439,1122 84.113,1123 0.245,1124 25.078,1125 0.789,1126 130,1127 634.432,1128 187.986,1129 588.799,1130 738.72,1131 540,1132 147,1133 463.587,1134 187.271,1135 467.403,1136 701.08,1137 437,1138 5}
{0 CHEMBL335655,1 1.991,2 10.037,3 5.136,4 26.378,5 97.704,6 9.982,7 0.414,8 3.87,9 3.975,10 3.657,11 3.404,12 5.078,13 3.419,14 4.447,15 4.603,16 4.143,17 3.797,18 6.131,19 3.796,20 4.68,21 4.88,22 4.144,23 3.917,24 5.963,25 3.879,26 4.684,27 4.899,28 4.283,29 3.794,30 6.1,31 3.808,32 4.593,33 4.78,34 4.111,35 3.684,36 6.388,37 3.714,38 4.41,39 4.566,40 4.042,41 3.664,42 5.91,43 3.687,44 4.538,45 4.724,46 4.038,47 3.614,48 6.078,49 3.671,50 4.504,51 4.69,52 4.018,53 3.43,54 6.126,55 3.514,56 0.253,57 0.832,58 4.106,59 3.626,60 37.893,61 3.77,62 1.005,63 1.596,64 12.284,65 6.49,66 153.809,67 6.99,68 0.919,69 1.378,70 25.25,71 8.455,72 104.455,73 10.282,74 1.022,75 1.441,76 27.568,77 7.828,78 112.892,79 9.093,80 1.479,81 1.404,82 23.851,83 6.606,84 197.825,85 6.978,86 0.793,87 1.365,88 13.784,89 6.734,90 111.661,91 6.586,92 1.14,93 1.624,94 18.285,95 7.564,96 168.297,97 6.173,98 1.447,99 1.389,100 24.154,101 6.817,102 220.505,103 4.386,104 38,105 42,106 0.351,107 0.684,108 0.77,109 0.805,110 0.805,111 0.805,112 3.34,113 0.927,114 -5.09,115 -4.99,116 -4.68,117 40.5,119 3,121 2,124 1,125 3,126 1,127 3,128 1,131 1,134 1,139 2,140 3,141 5,143 1,144 3,145 8,148 1,153 2,154 7,155 2,156 3,157 5,160 2,167 1,168 7,170 1,174 5,180 1,183 10,185 2,189 1,192 1,194 1141,195 17.419,196 17.419,197 17.419,198 17.419,199 17.419,200 15.865,201 24.856,202 10.156,203 18.193,204 14.344,205 14.344,206 14.344,207 14.344,208 14.344,209 11.87,210 35.264,211 4.87,212 15.769,213 3.401,214 1.512,215 1.024,216 0.827,217 0.827,218 0.827,219 4.014,220 2,223 1,224 1,225 571,226 3.674,228 288.742,229 1.745,230 53.923,232 1,233 1,234 1,235 0.8,236 0.5,237 1,238 1,239 0.9,240 62.167,241 271,242 4.609,243 4.473,244 7.287,245 4.298,246 3.411,247 4.149,248 12.44,249 3.09,250 4.176,251 3.574,252 6.155,253 3.751,254 2.833,255 3.812,256 1.058,257 9.061,258 2.597,259 3.981,260 3.133,261 6.058,262 3.71,263 2.8,264 3.242,265 0.8,266 8.658,267 2.517,268 3.857,269 3.093,270 5.65,271 3.517,272 2.582,273 3.066,275 7.812,276 2.334,277 3.316,278 2.623,279 4.948,280 2.938,281 2.023,282 2.55,283 5.77,284 1.823,285 3.232,286 2.361,287 4.633,288 2.788,289 1.879,290 2.481,291 4.963,292 1.699,293 3.067,294 2.222,295 4.618,296 2.707,297 1.834,298 2.141,299 4.818,300 1.441,301 2.734,302 1.79,303 4.328,304 2.368,305 1.398,306 1.741,307 3.775,308 1.33,309 2.572,310 1.295,311 3.846,312 2.049,313 1.145,314 1.595,315 2.865,316 1.024,317 2.216,318 1.227,319 3.502,320 1.984,321 1.009,322 1.18,323 2.587,324 0.983,325 2,326 1.077,327 3.247,328 1.969,329 1,330 1,331 2.136,332 0.962,333 1.194,334 0.521,335 2.964,336 0.834,337 -0.125,338 -0.152,339 -0.356,340 -0.118,341 1.036,342 0.51,343 2.708,344 0.613,345 -0.347,346 -0.445,347 -0.891,348 -0.229,349 1,350 0.51,351 2.523,352 0.473,353 -0.366,354 -0.473,355 -0.921,356 -0.291,357 0.701,358 0.256,359 2.382,360 0.225,361 -0.587,362 -0.683,364 -1.359,365 -0.399,366 12.719,367 0.471,368 0.936,369 0.035,370 32.75,371 1.213,372 14.5,373 0.537,374 18.25,375 0.676,376 24.084,377 0.892,378 30.481,379 0.726,380 27.007,381 1,382 6.281,383 0.233,384 6.455,385 0.239,386 0.206,387 0.039,388 0.307,389 3,390 0.6,391 1.112,392 0.504,393 0.953,394 0.569,395 0.875,396 0.449,397 0.762,398 0.571,399 0.83,400 0.356,401 0.89,402 0.62,403 0.826,404 0.861,405 1,406 0.533,407 1.006,408 0.776,409 0.99,410 0.541,411 0.821,412 0.751,413 0.768,414 0.919,415 0.68,416 0.95,417 0.748,418 1.047,419 0.832,420 0.99,421 1.298,422 0.676,423 1.109,424 1.102,425 1.016,426 1.849,427 1.725,428 0.907,429 0.985,430 1.917,431 0.926,432 2.448,433 1.73,434 1.425,435 0.986,436 2.627,437 0.944,438 7.5,439 0.074,440 3.111,441 2.563,442 1.756,443 1.319,444 0.793,445 0.543,446 0.46,447 0.149,448 8103,449 32492,450 1.984,451 35.7,452 2,453 7,455 1,456 1,458 4,459 1.705,460 1.81,461 3.294,462 -0.199,466 83.632,467 1.991,468 3.881,469 4.368,470 4.565,471 4.565,472 4.565,473 2.745,474 4.208,475 4.725,476 3.481,477 1221.95,478 8.224,479 15461.8,484 226.477,485 1.698,486 4.65,487 0.259,488 0.006,489 0.074,490 0.061,491 0.042,492 0.034,493 0.022,494 0.016,495 0.016,496 0.007,497 0.536,498 0.5,499 1,500 0.834,501 132.722,502 -0.052,503 -0.154,504 0.003,505 -0.062,506 -0.056,507 -0.016,508 0.339,509 0.255,510 0.094,511 0.069,512 0.409,513 -0.002,514 0.043,515 -0.085,516 0.015,517 -0.08,518 0.064,519 -0.005,520 0.041,521 -0.191,522 0.309,523 0.059,524 0.042,525 0.2,526 0.252,527 0.408,528 -0.085,529 0.154,530 0.193,531 0.034,532 -0.011,533 -0.196,534 0.052,535 -0.158,536 -0.06,537 -0.094,538 -0.415,539 -0.273,540 -0.102,542 -0.353,543 -0.032,544 -0.63,545 -0.136,546 -0.313,547 0.048,548 -0.629,549 -0.101,550 6.049,551 5.492,552 0.667,553 23.86,554 1.047,555 1.153,556 3.865,557 14.936,558 0.693,559 3.401,560 3.761,561 3.951,562 4.22,563 4.419,564 4.454,565 4.533,566 4.585,567 4.663,568 4.625,569 6.128,570 0.686,571 419.26,572 3.401,573 4.963,574 5.796,575 6.691,576 7.545,577 8.441,578 9.305,579 10.202,580 11.073,581 11.969,582 9.5,585 1,586 1,588 2,589 4,590 2,593 6,594 12,596 1,601 1,604 2,605 42,606 13,607 1,608 29,609 44,610 17,611 10,612 3,613 3,614 1,615 3,616 3,617 2,618 1,619 3,620 1,621 3,622 11,623 6,624 1,625 1,626 1,630 3,631 15,632 8,633 1,634 10,635 2,637 4,638 1,641 1,643 3,644 3,647 2,648 3,649 27,652 5,653 1,656 1,657 1,659 5,660 2.4,662 1,665 14.917,666 7.564,667 5.75,668 2.583,670 2.179,671 1.308,672 0.978,673 6.02,674 9.259,675 3.611,676 4.19,677 4.682,678 5.23,679 5.708,680 5.892,681 6.094,682 6.284,683 6.54,684 6.738,685 0.857,686 42,687 10.726,688 5.314,689 8.394,690 18.147,691 14.831,692 2.894,693 78.139,694 1,695 164.795,696 79.355,697 54.706,698 78.297,699 25.145,700 44.88,702 79.355,703 268.238,704 99.586,706 29.826,707 28.429,708 75.192,709 72.752,710 1.899,711 153.024,712 86.057,713 164.795,714 134.061,715 70.025,716 78.297,717 117.711,718 117.11,720 51.289,721 49.201,722 111.868,724 209.676,725 79.851,726 157.652,729 172.555,730 34.119,731 40.6,732 18.011,733 181.894,734 164.795,735 124.731,736 157.652,737 0.594,738 0.325,739 0.177,740 0.097,741 20,742 10,743 0.068,744 3,745 3.722,746 229.654,747 18,748 113.627,750 20.031,751 8.114,752 4.965,753 124.731,754 5.098,755 7.618,758 -1.311,759 18.011,760 447.179,761 36,762 12.401,763 -0.995,765 43.989,766 48.431,767 0.369,768 0.72,769 0.81,770 0.847,771 0.847,772 0.847,773 4.883,774 1.398,775 5.838,776 4.818,777 4.443,778 4.875,779 3.18,780 6.688,781 4.261,782 6.108,783 1.145,784 7.431,785 3.775,786 4.29,787 4.82,788 3.911,789 7.854,790 3.886,791 7.435,792 1.009,793 9.135,794 2.865,795 6.125,796 7.023,797 5.433,798 10.882,799 5.766,800 8.792,801 1,802 10.906,803 2.587,804 6.723,805 7.686,806 6.69,807 12.855,808 6.156,809 10.18,810 -0.125,811 12.722,812 2.136,813 8.129,814 9.462,815 8.059,816 15.505,817 7.571,818 11.588,819 -0.347,820 14.571,821 -0.356,822 9.058,823 10.466,824 9.389,825 17.803,826 8.328,827 13.013,828 -0.366,829 16.445,830 -0.891,831 10.314,832 12.056,833 10.734,834 20.348,835 9.549,836 3.411,837 -0.587,838 18.338,839 -0.921,840 11.392,841 13.239,842 12.074,843 22.777,844 10.486,845 2.833,846 12.44,847 20.247,848 -1.359,849 12.6,850 14.738,851 13.416,852 25.296,853 11.629,854 2.8,855 9.061,856 22.17,857 4.149,858 13.747,859 16.019,860 14.758,861 27.778,862 12.655,863 2.582,864 8.658,865 24.102,866 3.812,867 14.946,868 17.473,869 16.1,870 30.294,871 13.771,872 2.023,873 7.812,874 26.044,875 3.242,876 16.126,877 18.808,878 17.441,879 32.797,880 14.842,881 1.879,882 5.77,883 27.993,884 3.066,885 17.328,886 20.239,887 18.783,888 35.314,889 15.952,890 1.834,891 4.963,892 29.948,893 2.55,894 18.526,895 21.606,896 20.124,897 37.827,898 17.046,899 7981,900 16229,901 18.493,902 29.097,903 44.211,904 44.524,905 44.956,906 44.281,907 43.83,908 53.914,909 11.367,910 129.768,911 39.599,912 5.609,913 6.473,914 7.089,915 5.369,916 5.411,917 7.149,918 5.335,919 20.15,920 5.09,921 15.945,922 1.525,923 1.535,924 1.55,925 1.527,926 1.511,927 1.859,928 0.392,929 4.475,930 1.365,931 3.988,932 4.03,933 4.094,934 3.876,935 8.513,936 3.879,937 3.882,938 3.914,939 3.927,940 3.763,941 7.999,942 3.78,943 3.759,944 3.809,945 3.654,946 3.619,947 7.999,948 3.617,949 3.325,950 3.361,951 3.582,952 3.04,953 7.429,954 3.087,955 3.265,956 3.325,957 3.384,958 2.941,959 5.025,960 2.998,961 3.111,962 3.206,963 3.266,964 2.925,965 4.922,966 2.91,967 2.965,968 3.053,969 2.993,970 2.849,971 4.632,972 2.815,973 2.901,974 2.918,975 2.866,976 2.762,977 4.248,978 2.77,979 0.159,980 0.154,981 0.251,982 0.148,983 0.118,984 4.609,985 0.143,986 4.473,987 0.132,988 7.287,989 0.429,990 4.298,991 0.107,992 3.411,993 4.149,994 12.44,995 3.09,996 1.893,997 1.87,998 2.049,999 2.064,1000 1.395,1001 2.051,1002 1.846,1003 1.799,1004 1.934,1005 1.966,1006 1.061,1007 1.972,1008 1.723,1009 1.681,1010 1.797,1011 1.878,1012 0.88,1013 1.867,1014 1.157,1015 1.11,1016 1.513,1017 1.45,1018 0.825,1019 1.429,1020 1.153,1021 1.064,1022 1.349,1023 1.417,1024 0.601,1025 1.402,1026 1.039,1027 0.985,1028 1.201,1029 1.376,1030 0.222,1031 1.326,1032 0.901,1033 0.832,1034 1.018,1035 1.194,1036 0.105,1037 1.19,1038 0.849,1039 0.827,1040 1,1041 0.962,1043 1.004,1044 4.078,1045 5.425,1047 6.956,1049 8.571,1051 10.231,1053 11.689,1054 40.476,1057 3.921,1058 2.35,1061 1.692,1062 -4.799,1063 28.82,1064 83.632,1065 162.993,1066 183.458,1067 191.722,1068 191.722,1069 191.722,1070 73.263,1071 7.079,1072 58.12,1073 58.12,1074 18,1075 12.499,1076 3.807,1077 3,1078 46.793,1079 97,1080 97,1081 0.234,1082 182.602,1083 326.72,1084 437.309,1085 10151,1086 11.9,1087 19.604,1088 0.726,1089 0.574,1090 18.104,1091 15.497,1092 12.736,1093 0.439,1094 0.309,1095 8.098,1096 11.474,1097 7.96,1098 6.5,1099 12.102,1100 8.961,1101 12.604,1102 0.3,1103 0.166,1104 11.425,1105 6.963,1106 9.085,1107 0.178,1108 0.088,1109 8.776,1110 4.485,1111 7.944,1112 0.119,1113 0.05,1114 8.142,1115 3.352,1116 6.076,1117 0.074,1118 0.025,1119 5.41,1120 2.047,1121 0.361,1122 87.441,1123 0.233,1124 25.699,1125 0.66,1126 142,1127 651.744,1128 200.68,1129 604.815,1130 764.9,1131 556,1132 164,1133 486.714,1134 205.77,1135 490.307,1136 738.61,1137 459,1138 5.398}
{0 CHEMBL335697,1 2.259,2 7.9,3 1.924,4 3.7,5 62.364,6 11.794,7 0.524,8 3.458,9 3.538,10 3.353,11 2.885,12 4.895,13 2.987,14 3.963,15 4.08,16 3.866,17 3.172,18 6.001,19 3.304,20 3.984,21 4.106,22 3.737,23 3.186,24 5.649,25 3.295,26 4.066,27 4.195,28 3.786,29 3.103,30 5.8,31 3.256,32 4.019,33 4.14,34 3.975,35 2.893,36 6.311,37 3.126,38 3.651,39 3.787,40 3.391,41 2.767,42 5.298,43 2.882,44 3.631,45 3.756,46 3.328,47 2.674,48 5.452,49 2.797,50 3.418,51 3.564,52 3.208,53 2.454,54 5.281,55 2.578,56 0.38,57 0.608,58 0.417,59 1.996,60 49.695,61 1.355,62 0.949,63 1.143,64 4.764,65 3.181,66 146.218,67 2.494,68 0.727,69 0.802,70 2.443,71 3.122,72 76.869,73 2.046,74 1,75 0.95,76 7.399,77 3.917,78 119.699,79 2.921,80 1.084,81 0.657,82 8.609,83 3.04,84 162.853,85 1.518,86 0.687,87 0.531,88 5.705,89 2.617,90 87.989,91 2.148,92 0.718,93 0.496,94 4.879,95 2.322,96 71.473,97 1.556,98 0.555,99 0.527,100 2.845,101 2.078,102 68.472,103 1.464,104 38,105 31,106 0.446,107 0.81,108 0.856,109 0.856,110 0.856,111 0.856,112 3.058,113 0.785,114 -3.26,115 -3.25,116 -3.11,117 38.5,118 1,124 1,125 1,126 1,128 2,131 1,133 1,134 1,138 1,140 1,141 8,143 2,144 2,145 1,148 1,149 1,153 3,154 2,155 2,156 1,157 2,159 1,160 1,167 2,168 4,172 1,174 1,175 2,183 3,186 1,189 1,194 498,195 12.488,196 12.488,197 12.488,198 12.488,199 12.488,200 11.012,201 16.001,202 7.134,203 13.101,204 10.356,205 10.356,206 10.356,207 10.356,208 10.356,209 8.083,210 20.57,211 3.413,212 11.463,213 2.442,214 0.597,215 0.366,216 0.366,217 0.366,218 0.366,219 3.702,221 1,223 1,224 1,225 322,226 3.536,227 57.815,228 70.577,229 1.13,230 44.683,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 48.833,241 158,242 4.599,243 4.473,244 7.285,245 4.29,246 3.406,247 4.134,248 12.427,249 3.077,250 4.113,251 3.572,252 6.085,253 3.737,254 2.785,255 3.713,256 1.058,257 8.687,258 2.636,259 3.867,260 2.924,261 5.547,262 3.511,263 2.575,264 3.056,266 7.517,267 2.36,268 3.642,269 2.778,270 5.084,271 3.104,272 2.267,273 3.005,275 6.166,276 1.848,277 3.128,278 2.178,279 4.713,280 2.758,281 1.819,282 2.307,283 5.104,284 1.668,285 2.753,286 2.024,287 4.387,288 2.252,289 1.308,290 1.764,291 3.786,292 1.179,293 2.571,294 1.29,295 3.83,296 2.024,297 1.104,298 1.593,299 2.818,300 1.003,301 2.205,302 0.812,303 3.271,304 1.713,305 0.721,306 1.061,307 1.715,308 0.714,309 1.171,310 0.527,311 2.923,312 0.749,313 -0.114,314 -0.136,315 -0.29,316 -0.084,317 1.022,318 0.51,319 2.585,320 0.572,321 -0.403,322 -0.532,323 -0.98,324 -0.365,325 0.642,326 0.51,327 2.332,328 0.154,329 -0.759,330 -0.961,331 -2.006,332 -0.644,333 0.417,334 0.304,335 2,336 0.137,337 -0.843,338 -1,339 -2.354,340 -0.7,341 0.098,342 -0.274,343 2,344 -0.3,345 -1,346 -1,347 -3,348 -0.7,350 -0.427,351 1.943,352 -0.3,353 -1,354 -1.038,355 -3,356 -0.833,358 -0.838,359 1.623,360 -0.339,361 -1.18,362 -1.542,364 -3.091,365 -0.926,366 8.838,367 0.442,368 0.816,369 0.041,370 26,371 1.3,372 12,373 0.6,374 14,375 0.7,376 13.59,377 0.679,378 22.962,379 0.883,380 20.534,381 1.027,382 5.492,383 0.275,384 3.778,385 0.189,386 0.272,387 0.057,388 0.339,389 3,390 0.705,391 1.08,392 0.484,393 0.981,394 0.67,395 0.828,396 0.489,397 0.782,398 0.453,399 0.899,400 0.433,401 0.783,402 0.881,403 0.841,404 0.763,405 0.938,406 0.788,407 1.01,408 1.129,409 1.192,410 0.917,411 1.075,412 1.088,413 0.975,414 0.985,415 0.895,416 0.861,417 0.878,418 1.16,419 0.736,420 0.996,421 1,422 0.82,423 1.035,424 0.957,425 0.976,426 0.881,427 0.956,428 1.056,429 0.889,430 0.995,431 1.027,432 1.245,433 1.372,434 1.099,435 1.281,436 1.403,437 1.313,438 6.5,440 2.667,441 2.132,442 1.511,443 0.809,444 0.34,445 0.315,446 0.239,447 0.06,448 3234,449 17867,450 1.899,451 23.1,453 1,455 1,456 1,457 3,459 1.622,460 1.702,461 2.952,462 -0.025,465 1,466 58.727,467 2.259,468 4.104,469 4.335,470 4.335,471 4.335,472 4.335,473 2.39,474 3.846,475 4.295,476 3.088,477 586.699,478 7.358,479 5952.69,481 1,483 1,484 122.211,485 1.788,486 4.189,487 0.31,489 0.086,490 0.076,491 0.054,492 0.03,493 0.019,494 0.019,495 0.018,496 0.01,497 0.622,498 0.5,499 1,500 0.953,501 87.487,502 -0.073,503 -0.175,504 -0.007,505 -0.09,506 -0.111,507 -0.035,508 0.381,509 0.229,510 0.248,511 0.016,512 0.419,513 0.082,514 -0.129,515 -0.019,516 -0.079,517 -0.073,518 -0.076,519 -0.139,520 -0.197,521 -0.354,522 0.005,523 -0.143,524 -0.147,525 0.016,526 0.262,527 0.283,528 0.185,529 0.083,530 0.256,531 0.043,532 -0.074,533 -0.132,534 0.129,535 -0.066,536 -0.111,537 0.082,538 0.075,539 -0.094,540 -0.145,541 0.025,542 -0.08,543 -0.099,544 -0.085,545 -0.103,546 -0.069,547 -0.238,548 -0.222,549 -0.349,550 6.087,551 4.78,552 0.55,553 13.1,554 1.099,555 1.178,556 2.028,557 4.113,558 0.688,559 3.091,560 3.466,561 3.611,562 3.85,563 3.97,564 3.829,565 3.85,566 3.714,567 3.784,568 3.611,569 4.823,570 0.734,571 306.65,572 3.091,573 4.654,574 5.476,575 6.375,576 7.225,577 8.119,578 8.98,579 9.87,580 10.739,581 11.626,582 15.4,586 1,588 3,589 2,590 3,591 1,593 5,594 11,596 1,604 1,605 26,606 12,608 21,609 27,610 10,611 7,614 1,615 2,616 2,617 1,618 2,620 1,622 8,623 2,624 1,625 1,626 1,629 1,630 3,631 6,632 9,633 1,634 10,635 1,636 1,637 4,638 2,641 1,642 1,643 1,644 2,646 1,647 1,648 3,649 20,653 1,657 1,659 4,660 7.7,662 1,664 1,665 11.75,666 5.171,667 4.222,668 1.339,670 1.995,671 1.323,672 0.944,673 3.863,674 8.167,675 3.35,676 3.966,677 4.456,678 4.993,679 5.326,680 5.375,681 5.561,682 5.551,683 5.942,684 6.037,685 1,686 28,687 8.044,688 4.143,689 8.868,690 12.494,691 9.607,692 3.368,693 67.361,695 58.856,696 56.175,697 71.178,698 39.149,699 34.879,700 44.88,702 56.175,703 132.883,704 116.059,705 8.825,706 18.011,707 9.476,708 94.788,709 77.381,710 41.792,711 47.084,712 7.76,713 58.856,714 127.353,715 79.759,716 39.149,717 58.856,718 79.759,720 56.819,721 17.366,722 53.168,723 39.149,724 103.736,725 106.057,726 95.324,729 66.615,730 21.067,731 27.349,732 18.011,733 172.076,734 58.856,735 150.938,736 95.324,737 0.604,738 0.323,739 0.169,740 0.096,741 15,742 8,743 0.074,744 2,745 3.057,746 146.156,747 11,748 81.684,750 14.601,751 5.291,752 3.408,753 150.938,754 2.04,755 9.887,756 4.676,758 -2.425,759 18.011,760 305.117,761 27.5,762 11.78,763 -1.079,765 28.574,766 30.621,767 0.481,768 0.873,769 0.922,770 0.922,771 0.922,772 0.922,773 4.613,774 0.721,775 5.549,776 2.818,777 4.143,778 4.649,779 3.139,780 6.415,781 3.967,782 5.872,783 -0.114,784 7.16,785 1.715,786 4.111,787 4.649,788 3.903,789 7.67,790 3.75,791 7.214,792 -0.403,793 8.883,794 -0.29,795 5.861,796 6.842,797 5.431,798 10.671,799 5.515,800 8.588,801 -0.759,802 10.673,803 -0.98,804 6.553,805 7.554,806 6.69,807 12.712,808 6.037,809 9.988,810 -0.843,811 12.508,812 -2.006,813 7.911,814 9.303,815 8.059,816 15.366,817 7.374,818 11.408,819 -1,820 14.375,821 -2.354,822 8.899,823 10.347,824 9.388,825 17.705,826 8.221,827 12.843,828 -1,829 16.267,830 -3,831 10.138,832 11.907,833 10.734,834 20.263,835 9.399,836 3.406,837 -1.18,838 18.178,839 -3,840 11.251,841 13.121,842 12.074,843 22.714,844 10.39,845 2.785,846 12.427,847 20.104,848 -3.091,849 12.459,850 14.596,851 13.416,852 25.243,853 11.514,854 2.575,855 8.687,856 22.043,857 4.134,858 13.628,859 15.898,860 14.758,861 27.736,862 12.569,863 2.267,864 7.517,865 23.99,866 3.713,867 14.833,868 17.334,869 16.1,870 30.258,871 13.678,872 1.819,873 6.166,874 25.946,875 3.056,876 16.028,877 18.683,878 17.441,879 32.767,880 14.763,881 1.308,882 5.104,883 27.907,884 3.005,885 17.237,886 20.102,887 18.783,888 35.287,889 15.87,890 1.104,891 3.786,892 29.873,893 2.307,894 18.445,895 21.477,896 20.124,897 37.802,898 16.97,899 3363,900 8067,901 12.83,902 17.886,903 32.803,904 32.039,905 33.166,906 32.3,907 31.972,908 41.265,909 9.767,910 96.44,911 28.971,912 5.449,913 6.473,914 6.577,915 5.36,916 5.406,917 7.134,918 5.335,919 20.133,920 4.971,921 12.89,922 1.562,923 1.526,924 1.579,925 1.538,926 1.522,927 1.965,928 0.465,929 4.592,930 1.38,931 3.952,932 3.982,933 4.016,934 3.772,935 8.513,936 3.805,937 3.834,938 3.865,939 3.839,940 3.64,941 7.999,942 3.671,943 3.319,944 3.364,945 3.547,946 3.027,947 7.999,948 3.068,949 3.257,950 3.308,951 3.323,952 2.916,953 7.429,954 2.991,955 2.988,956 3.048,957 2.94,958 2.751,959 5.222,960 2.749,961 2.626,962 2.69,963 2.721,964 2.396,965 5.097,966 2.408,967 2.33,968 2.413,969 2.351,970 1.942,971 4.287,972 2.017,973 2.252,974 2.321,975 2.191,976 1.796,977 3.934,978 1.888,979 0.219,980 0.213,981 0.347,982 0.204,983 0.162,984 4.599,985 0.197,986 4.473,987 0.182,988 7.285,989 0.592,990 4.29,991 0.147,992 3.406,993 4.134,994 12.427,995 3.077,996 1.798,997 1.771,998 1.827,999 1.982,1000 0.894,1001 1.938,1002 1.566,1003 1.52,1004 1.76,1005 1.726,1006 0.839,1007 1.738,1008 1.276,1009 1.233,1010 1.424,1011 1.641,1012 0.422,1013 1.566,1014 0.986,1015 0.947,1016 1.036,1017 1.398,1019 1.276,1020 0.895,1021 0.886,1022 1.013,1023 1.199,1025 1.116,1026 0.613,1027 0.522,1028 0.755,1029 1,1031 0.995,1032 0.474,1033 0.43,1034 0.601,1035 0.766,1037 0.761,1038 0.044,1040 0.348,1041 0.477,1043 0.446,1044 3.761,1045 5.118,1046 2.398,1047 6.637,1048 4.595,1049 8.236,1050 6.529,1051 9.884,1052 1.589,1053 5.309,1054 38.301,1058 2.12,1062 -4.837,1063 19.073,1064 58.727,1065 106.702,1066 112.702,1067 112.702,1068 112.702,1069 112.702,1070 49.764,1071 6.172,1072 80.91,1073 80.91,1074 11,1075 12.16,1076 3.7,1077 2.907,1078 36.249,1079 56,1080 60,1081 0.321,1082 121.44,1083 214.2,1084 288.073,1085 3042,1086 15.4,1087 14.914,1088 0.746,1089 0.529,1090 12.914,1091 10.581,1092 9.27,1093 0.441,1094 0.262,1095 4.968,1096 8.243,1097 4.886,1098 4.012,1099 8.347,1100 5.493,1101 9.552,1102 0.308,1103 0.13,1104 7.965,1105 4.024,1106 6.518,1107 0.181,1108 0.064,1109 5.999,1110 2.319,1111 5.321,1112 0.116,1113 0.032,1114 5.043,1115 1.478,1116 4.151,1117 0.08,1118 0.017,1119 3.135,1120 0.873,1121 0.485,1122 64.255,1123 0.279,1124 19.605,1125 0.934,1126 104,1127 619.276,1128 151.309,1129 535.287,1130 674.49,1131 490,1132 119,1133 449.057,1134 153.027,1135 436.169,1136 652.82,1137 405,1138 5.42}
{0 CHEMBL335703,1 1.988,2 8,3 4.035,4 16.279,5 77.16,6 9.992,7 0.522,8 3.622,9 3.723,10 3.4,11 3.155,12 4.936,13 3.183,14 4.149,15 4.296,16 3.908,17 3.481,18 6.023,19 3.52,20 4.249,21 4.385,22 3.895,23 3.611,24 5.748,25 3.624,26 4.431,27 4.613,28 3.91,29 3.586,30 5.911,31 3.609,32 4.478,33 4.676,34 4.068,35 3.465,36 6.418,37 3.5,38 4.191,39 4.407,40 3.513,41 3.291,42 5.597,43 3.28,44 3.922,45 4.06,46 3.494,47 3.25,48 5.342,49 3.26,50 4.147,51 4.374,52 3.577,53 3.122,54 5.724,55 3.182,56 0.235,57 0.699,58 3.002,59 2.854,60 36.658,61 2.752,62 0.91,63 1.361,64 10.156,65 4.714,66 147.07,67 4.934,68 0.574,69 1.136,70 7.813,71 5.29,72 74.098,73 5.62,74 0.806,75 1.266,76 14.558,77 6.262,78 102.163,79 6.497,80 1.481,81 1.053,82 22.593,83 6.793,84 209.148,85 7.446,86 0.876,87 0.79,88 17.928,89 5.407,90 148.335,91 5.967,92 0.395,93 0.902,94 6.387,95 4.054,96 56.845,97 4.056,98 0.67,99 1.119,100 12.338,101 4.375,102 76.708,103 4.296,104 51,105 34,106 0.371,107 0.721,108 0.766,109 0.782,110 0.782,111 0.782,112 3.147,113 0.854,114 -4.55,115 -4.47,116 -4.21,117 42.4,118 2,124 1,125 3,126 3,127 1,128 1,131 1,134 1,139 6,140 1,141 5,143 1,144 3,145 6,150 4,151 6,153 2,154 2,155 2,156 1,157 6,160 4,165 4,168 6,172 1,174 1,176 8,183 2,186 2,193 4,194 600,195 13.748,196 13.748,197 13.748,198 13.748,199 13.748,200 12.061,201 14.763,202 7.802,203 14.307,204 11.301,205 11.301,206 11.301,207 11.301,208 11.301,209 8.778,210 15.985,211 3.67,212 12.34,213 3.057,214 1.182,215 0.94,216 0.857,217 0.857,218 0.857,219 3.794,221 1,222 1,223 1,224 1,225 357,226 3.606,228 151.489,229 1.091,230 43.765,231 1,232 1,233 1,234 1,235 0.8,236 0.5,237 1,238 1,239 0.9,240 51.333,241 176,242 4.602,243 4.473,244 7.285,245 4.292,246 3.406,247 4.141,248 12.428,249 3.09,250 4.334,251 3.585,252 6.422,253 3.964,254 2.989,255 3.981,256 1.058,257 9.775,258 2.903,259 3.876,260 3.078,261 6.032,262 3.554,263 2.627,264 3.054,266 8.447,267 2.376,268 3.639,269 2.914,270 5.087,271 3.095,272 2.263,273 3,275 6.167,276 1.879,277 3.232,278 2.164,279 4.841,280 2.879,281 1.879,282 2.481,283 5.104,284 1.815,285 2.956,286 2.147,287 4.545,288 2.515,289 1.567,290 2.118,291 4.318,292 1.461,293 2.746,294 1.557,295 4.055,296 2.241,297 1.28,298 1.776,299 3.311,300 1.185,301 2.572,302 1.29,303 3.773,304 2.027,305 1.109,306 1.596,307 2.769,308 1.006,309 1.589,310 0.931,311 3.003,312 1.335,313 0.359,314 0.414,315 0.847,316 0.344,317 1.166,318 0.51,319 2.745,320 0.653,321 -0.206,322 -0.259,323 -0.488,324 -0.145,325 1,326 0.51,327 2.361,328 0.642,329 -0.347,330 -0.445,331 -0.757,332 -0.347,333 0.642,334 0.481,335 2.352,336 0.224,337 -0.757,338 -0.942,339 -2.024,340 -0.626,341 0.592,342 -0.016,343 2.176,344 0.137,345 -0.805,346 -1,347 -2.356,348 -0.7,349 0.052,350 -0.11,351 2,352 -0.25,353 -1,354 -1,355 -3,356 -0.7,357 0.042,358 -0.333,359 2,360 -0.3,361 -1,362 -1.055,364 -3,365 -0.81,366 10.105,367 0.459,368 0.889,369 0.04,370 28.25,371 1.284,372 14,373 0.636,374 14.25,375 0.648,376 17.065,377 0.776,378 24.695,379 0.748,380 22.88,381 1.04,382 5.849,383 0.266,384 4.349,385 0.198,386 0.287,387 0.049,388 0.346,389 3,390 0.597,391 1.014,392 0.518,393 0.96,394 0.616,395 0.865,396 0.361,397 0.692,398 0.46,399 0.82,400 0.379,401 0.763,402 0.564,403 0.913,404 0.622,405 1.105,406 0.598,407 1.103,408 0.845,409 1.008,410 0.834,411 1.073,412 0.831,413 1.07,414 0.607,415 0.738,416 0.663,417 0.974,418 0.752,419 0.943,420 0.923,421 0.641,422 0.715,423 0.652,424 1.083,425 0.708,426 0.786,427 1.336,428 0.874,429 1.396,430 0.757,431 1.332,432 1.219,433 1.416,434 0.852,435 1.001,436 1.002,437 0.933,438 6.5,439 0.012,440 3.556,441 2.25,442 1.964,443 0.847,444 0.489,445 0.477,446 0.263,447 0.077,448 4059,449 18180,450 1.883,451 33.3,452 6,453 3,455 1,456 1,459 1.651,460 1.682,461 2.963,462 -0.175,463 1,466 65.599,467 1.988,468 3.862,469 4.104,470 4.188,471 4.188,472 4.188,473 2.318,474 3.352,475 4.436,476 3.112,477 718.78,478 7.647,479 7845.92,481 1,482 1,483 1,484 166.465,485 1.78,486 4.322,487 0.283,488 0.012,489 0.105,490 0.064,491 0.06,492 0.027,493 0.022,494 0.021,495 0.013,496 0.01,497 0.616,498 0.5,499 1,500 0.931,501 99.421,502 -0.049,503 -0.106,504 -0.001,505 -0.042,506 -0.101,507 -0.007,508 0.476,509 0.321,510 0.26,511 0.116,512 0.443,513 0.14,514 0.084,515 -0.068,516 0.021,517 -0.198,518 0.04,519 -0.198,520 -0.055,521 -0.194,522 -0.013,523 -0.179,524 -0.046,525 -0.122,526 0.492,527 0.209,528 0.368,529 -0.009,530 0.386,531 0.066,532 -0.061,533 0.027,534 0.226,535 0.303,536 -0.128,537 0.395,538 -0.08,539 -0.408,540 -0.151,541 -0.454,542 -0.084,543 -0.409,544 -0.219,545 -0.405,546 0.069,547 -0.108,548 -0.044,549 0.029,550 6.056,551 5.163,552 0.545,553 14.364,554 1.054,555 1.156,556 3.316,557 10.996,558 0.688,559 3.178,560 3.555,561 3.738,562 3.951,563 4.143,564 3.989,565 3.97,566 3.951,567 3.951,568 3.738,569 5.006,570 0.694,571 329.73,572 3.178,573 4.745,574 5.58,575 6.479,576 7.339,577 8.234,578 9.104,579 9.995,580 10.871,581 11.76,582 9.1,586 1,588 2,589 4,590 2,593 6,594 12,596 1,604 1,605 33,606 13,607 1,608 23,609 34,610 14,611 10,612 3,613 3,614 1,615 2,616 2,617 1,618 3,620 1,622 11,623 3,624 1,625 1,626 1,629 1,630 3,631 11,632 7,633 1,634 8,635 1,637 3,638 1,641 1,643 2,644 2,646 2,647 1,648 3,649 22,653 1,657 1,659 4,660 3,662 1,665 13.083,666 6.721,667 4.694,668 1.811,670 2.312,671 1.361,672 0.957,673 4.502,674 8.712,675 3.434,676 4.06,677 4.575,678 5.089,679 5.578,680 5.581,681 5.675,682 5.794,683 6.167,684 6.263,685 1,686 35,687 8.802,688 4.411,689 8.615,690 14.278,691 11.185,692 3.115,693 68.528,695 117.711,696 85.304,697 51.582,698 39.149,699 25.145,700 44.88,702 85.304,703 182.005,704 96.462,705 17.65,706 18.011,707 28.429,708 75.192,709 68.998,710 41.792,711 105.94,712 7.76,713 117.711,714 136.886,715 70.025,716 39.149,717 117.711,718 70.025,720 57.868,721 45.447,722 33.571,723 39.149,724 162.591,725 76.727,726 124.453,729 125.471,730 22.418,731 55.127,732 18.011,733 142.745,734 117.711,735 121.607,736 124.453,737 0.605,738 0.338,739 0.173,740 0.1,741 16,742 9,743 0.059,744 2,745 3.163,746 169.354,747 12,748 83.353,750 16.41,751 6.035,752 3.638,753 121.607,754 6.033,755 6.575,758 -0.698,759 18.011,760 363.771,761 30,762 12.163,763 -0.943,765 34.796,766 38.159,767 0.394,768 0.766,769 0.814,770 0.83,771 0.83,772 0.83,773 4.7,774 1.109,775 5.652,776 3.311,777 4.234,778 4.745,779 3.139,780 6.535,781 4.085,782 5.965,783 0.359,784 7.279,785 2.769,786 4.205,787 4.771,788 3.903,789 7.803,790 3.894,791 7.313,792 -0.206,793 9.017,794 0.847,795 5.964,796 6.963,797 5.431,798 10.823,799 5.672,800 8.694,801 -0.347,802 10.82,803 -0.488,804 6.661,805 7.69,806 6.69,807 12.852,808 6.221,809 10.102,810 -0.757,811 12.663,812 -0.757,813 8.027,814 9.461,815 8.059,816 15.505,817 7.575,818 11.529,819 -0.805,820 14.535,821 -2.024,822 9.018,823 10.515,824 9.388,825 17.822,826 8.443,827 12.972,828 -1,829 16.428,830 -2.356,831 10.26,832 12.105,833 10.734,834 20.369,835 9.64,836 3.406,837 -1,838 18.337,839 -3,840 11.372,841 13.325,842 12.074,843 22.8,844 10.645,845 2.989,846 12.428,847 20.259,848 -3,849 12.579,850 14.827,851 13.416,852 25.317,853 11.783,854 2.627,855 9.775,856 22.19,857 4.141,858 13.743,859 16.134,860 14.758,861 27.795,862 12.846,863 2.263,864 8.447,865 24.129,866 3.981,867 14.944,868 17.591,869 16.1,870 30.307,871 13.964,872 1.879,873 6.167,874 26.076,875 3.054,876 16.132,877 18.944,878 17.441,879 32.807,880 15.053,881 1.567,882 5.104,883 28.027,884 3,885 17.335,886 20.378,887 18.783,888 35.319,889 16.164,890 1.28,891 4.318,892 29.984,893 2.481,894 18.535,895 21.756,896 20.124,897 37.828,898 17.265,899 4224,900 9187,901 13.929,902 22.71,903 35.615,904 35.481,905 36.866,906 35.293,907 34.961,908 45.123,909 9.767,910 106.331,911 32.116,912 5.452,913 6.473,914 6.83,915 5.362,916 5.406,917 7.141,918 5.335,919 20.139,920 5.09,921 14.794,922 1.548,923 1.543,924 1.603,925 1.534,926 1.52,927 1.962,928 0.425,929 4.623,930 1.396,931 3.985,932 4.017,933 4.02,934 3.9,935 8.513,936 3.901,937 3.87,938 3.903,939 3.879,940 3.731,941 7.999,942 3.756,943 3.322,944 3.362,945 3.551,946 3.125,947 7.999,948 3.101,949 3.266,950 3.35,951 3.331,952 3.041,953 7.429,954 3.082,955 3.257,956 3.302,957 3.067,958 2.917,959 5.1,960 2.991,961 3.039,962 3.128,963 2.953,964 2.865,965 4.745,966 2.853,967 2.697,968 2.761,969 2.784,970 2.507,971 4.286,972 2.499,973 2.476,974 2.537,975 2.356,976 2.229,977 3.966,978 2.223,979 0.2,980 0.194,981 0.317,982 0.187,983 0.148,984 4.602,985 0.18,986 4.473,987 0.166,988 7.285,989 0.54,990 4.292,991 0.134,992 3.406,993 4.141,994 12.428,995 3.09,996 1.943,997 1.916,998 2.057,999 2.046,1000 1.191,1001 2.046,1002 1.78,1003 1.753,1004 1.806,1005 1.946,1006 0.871,1007 1.914,1008 1.303,1009 1.226,1010 1.639,1011 1.507,1012 0.719,1013 1.557,1014 1.152,1015 1.105,1016 1.45,1017 1.46,1018 0.492,1019 1.395,1020 1.042,1021 0.968,1022 1.216,1023 1.374,1024 0.168,1025 1.347,1026 0.986,1027 0.946,1028 1.018,1029 1.302,1031 1.268,1032 0.629,1033 0.567,1034 0.879,1035 0.845,1037 0.844,1038 0.477,1039 0.374,1040 0.709,1041 0.726,1043 0.784,1044 3.85,1045 5.209,1047 6.753,1049 8.384,1051 10.059,1052 3.483,1053 5.384,1054 38.871,1058 2.465,1062 -4.806,1063 22.917,1064 65.599,1065 127.445,1066 135.445,1067 138.2,1068 138.2,1069 138.2,1070 59.523,1071 6.4,1072 54.88,1073 54.88,1074 12,1075 12.292,1076 3.807,1077 3,1078 41.962,1079 66,1080 54,1081 0.321,1082 146.091,1083 260.97,1084 348.223,1085 4181,1086 12.1,1087 16.491,1088 0.75,1089 0.563,1090 14.491,1091 12.38,1092 10.197,1093 0.443,1094 0.285,1095 6.064,1096 9.369,1097 5.861,1098 4.867,1099 9.275,1100 6.55,1101 10.317,1102 0.303,1103 0.146,1104 8.73,1105 4.958,1106 7.434,1107 0.181,1108 0.077,1109 6.916,1110 3.174,1111 5.901,1112 0.116,1113 0.041,1114 5.623,1115 2.068,1116 4.888,1117 0.079,1118 0.02,1119 3.871,1120 1.247,1121 0.485,1122 68.458,1123 0.268,1124 21.2,1125 0.938,1126 114,1127 577.895,1128 155.935,1129 506.388,1130 639.76,1131 464,1132 132,1133 417.034,1134 160.847,1135 414.346,1136 624.87,1137 385,1138 5}
{0 CHEMBL336099,1 2.28,2 8.091,3 3.552,4 12.615,5 75.42,6 14.901,7 0.522,8 3.436,9 3.502,10 3.522,11 2.964,12 4.918,13 3.056,14 3.935,15 4.022,16 4.079,17 3.25,18 6.07,19 3.375,20 3.976,21 4.069,22 3.989,23 3.358,24 5.692,25 3.435,26 4.039,27 4.127,28 4.177,29 3.265,30 5.903,31 3.388,32 4.062,33 4.171,34 4.079,35 3.072,36 6.325,37 3.236,38 3.644,39 3.73,40 3.753,41 2.922,42 5.572,43 3.034,44 3.554,45 3.664,46 3.635,47 2.91,48 5.381,49 2.982,50 3.562,51 3.662,52 3.773,53 2.762,54 5.418,55 2.876,56 0.39,57 0.616,58 2.673,59 1.568,60 57.858,61 0.799,62 0.835,63 1.159,64 3.871,65 2.819,66 140.423,67 1.29,68 0.699,69 0.85,70 7.282,71 3.069,72 92.694,73 1.672,74 0.908,75 0.967,76 11.309,77 3.624,78 129.241,79 2.137,80 1.059,81 0.696,82 13.353,83 4.29,84 175.478,85 2.208,86 0.648,87 0.567,88 4.487,89 2.518,90 90.895,91 1.271,92 0.464,93 0.605,94 7.004,95 2.145,96 49.545,97 1.375,98 0.624,99 0.573,100 8.015,101 2.512,102 90.584,103 1.227,104 51,105 34,106 0.452,107 0.75,108 0.851,109 0.867,110 0.883,111 0.883,112 3.147,113 0.836,114 -4.11,115 -4.06,116 -3.84,117 40,124 1,125 1,126 1,128 1,129 2,131 2,134 1,140 2,141 10,143 2,144 2,145 1,153 3,154 3,155 3,156 2,157 4,167 3,168 6,172 1,174 2,182 2,183 5,186 1,194 612,195 13.643,196 13.643,197 13.643,198 13.643,199 13.643,200 12.012,201 16.778,202 7.796,203 14.655,204 11.356,205 11.356,206 11.356,207 11.356,208 11.356,209 8.833,210 21.637,211 3.739,212 13.225,213 2.364,214 0.86,215 0.35,216 0.27,217 0.19,218 0.19,219 3.794,221 3,223 1,224 1,225 361,226 3.606,228 153.133,229 1.19,230 50.261,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 53,241 178,242 4.599,243 4.473,244 7.285,245 4.29,246 3.406,247 4.134,248 12.427,249 3.076,250 4.176,251 3.574,252 6.087,253 3.723,254 2.82,255 3.812,256 1.058,257 8.71,258 2.515,259 3.886,260 3.131,261 5.654,262 3.511,263 2.621,264 3.067,266 7.835,267 2.284,268 3.654,269 2.919,270 5.105,271 3.11,272 2.286,273 3.018,275 6.234,276 1.82,277 3.275,278 2.623,279 4.879,280 2.802,281 1.939,282 2.523,283 5.588,284 1.592,285 3.232,286 2.287,287 4.618,288 2.659,289 1.879,290 2.481,291 4.963,292 1.371,293 2.77,294 2.133,295 4.428,296 2.251,297 1.32,298 1.785,299 3.859,300 1.169,301 2.572,302 1.29,303 3.846,304 2.023,305 1.105,306 1.594,307 2.836,308 1.002,309 1.207,310 0.583,311 2.963,312 0.819,313 -0.066,314 -0.079,315 -0.176,316 -0.051,317 1.156,318 0.51,319 2.703,320 0.603,321 -0.309,322 -0.421,323 -0.768,324 -0.223,325 1,326 0.51,327 2.382,328 0.429,329 -0.347,330 -0.445,331 -0.891,332 -0.239,333 0.702,334 0.385,335 2.359,336 0.168,337 -0.586,338 -0.689,339 -1.357,340 -0.339,341 0.642,342 0.245,343 2.173,344 0.137,345 -0.76,346 -0.972,347 -2.352,348 -0.641,349 0.153,350 0.173,351 2,352 -0.3,353 -1,354 -1,355 -2.963,356 -0.7,357 0.018,358 -0.279,359 2,360 -0.3,361 -1,362 -1,364 -3,365 -0.7,366 10.333,367 0.47,368 0.922,369 0.042,370 29.75,371 1.352,372 14,373 0.636,374 15.75,375 0.716,376 15.955,377 0.725,378 24.467,379 0.979,380 23.591,381 1.072,382 6.055,383 0.275,384 4.109,385 0.187,386 0.323,387 0.048,388 0.339,389 3,390 0.837,391 1.132,392 0.526,393 0.769,394 0.753,395 0.694,396 0.49,397 0.71,398 0.577,399 0.808,400 0.474,401 0.826,402 0.937,403 0.872,404 0.866,405 0.816,406 0.855,407 1.015,408 1.104,409 1.175,410 0.822,411 1.099,412 1.165,413 1.171,414 1.121,415 0.85,416 1.172,417 0.979,418 1.24,419 1.114,420 1.024,421 0.928,422 0.904,423 0.964,424 1.087,425 1.008,426 1.009,427 1.051,428 1.054,429 0.863,430 0.83,431 0.985,432 1.729,433 1.422,434 1.832,435 1.297,436 1.641,437 1.154,438 7.5,439 0.012,440 2.667,441 2.5,442 1.804,443 0.847,444 0.407,445 0.384,446 0.345,447 0.148,448 4179,449 28108,450 1.883,451 12,453 1,455 1,456 1,459 1.649,460 1.682,461 3.005,462 0.004,466 57.003,467 2.28,468 3.783,469 4.294,470 4.374,471 4.454,472 4.454,473 2.431,474 3.664,475 4.435,476 3.177,477 733.812,478 7.637,479 8049.35,480 1,481 1,483 1,484 116.096,485 1.78,486 4.322,487 0.326,488 0.004,489 0.078,490 0.076,491 0.055,492 0.029,493 0.019,494 0.018,495 0.018,496 0.011,497 0.634,498 0.5,499 1,500 0.931,501 99.999,502 -0.158,503 -0.26,504 -0.023,505 -0.087,506 -0.129,507 -0.03,508 0.388,509 0.306,510 0.056,511 0.001,512 0.397,513 -0.102,514 -0.152,515 -0.057,516 -0.108,517 0.006,518 -0.097,519 -0.063,520 -0.174,521 -0.314,522 0.093,523 -0.167,524 -0.205,525 -0.129,526 0.101,527 0.238,528 -0.169,529 0.131,530 0.098,531 0.063,532 -0.095,533 -0.043,534 -0.017,535 -0.037,536 -0.142,537 -0.006,538 -0.126,539 -0.118,540 -0.111,541 0.058,542 -0.026,543 0.072,544 -0.644,545 -0.353,546 -0.489,547 -0.154,548 -0.583,549 -0.085,550 6.139,551 4.935,552 0.545,553 14.909,554 1.125,555 1.175,556 2.881,557 8.303,558 0.776,559 3.178,560 3.555,561 3.689,562 3.951,563 4.111,564 4.025,565 3.932,566 3.912,567 3.989,568 3.871,569 5.172,570 0.82,571 372.53,572 3.178,573 4.745,574 5.565,575 6.466,576 7.31,577 8.208,578 9.062,579 9.957,580 10.818,581 11.711,582 20,586 1,588 4,589 2,590 4,593 6,594 12,596 1,604 3,605 25,606 13,608 23,609 26,610 10,611 8,614 1,615 2,616 2,617 3,618 1,620 1,622 9,623 1,624 1,625 1,626 1,629 1,630 3,631 3,632 9,633 1,634 12,635 3,637 5,638 1,641 2,643 2,644 2,647 3,648 3,649 22,653 1,657 1,659 6,660 4,662 1,665 13.083,666 4.74,667 4.639,668 1.235,670 2.259,671 1.353,672 0.955,673 4.829,674 8.66,675 3.434,676 4.06,677 4.543,678 5.098,679 5.561,680 5.635,681 5.642,682 5.82,683 6.135,684 6.347,685 1,686 33,687 8.819,688 4.546,689 8.898,690 13.591,691 10.442,692 3.398,693 74.75,695 23.542,696 47.616,697 85.153,698 117.446,699 25.145,700 44.88,702 47.616,703 166.133,704 130.033,706 18.011,707 9.476,708 108.763,709 59.87,710 128.132,711 11.771,712 7.76,713 23.542,714 132.769,715 70.025,716 117.446,717 23.542,718 70.025,720 42.86,721 22.766,722 67.142,723 117.446,724 68.423,725 110.298,726 165.062,729 31.302,730 21.333,731 18.524,732 18.011,733 254.613,734 23.542,735 155.178,736 165.062,737 0.603,738 0.32,739 0.172,740 0.098,741 16,742 9,743 0.077,744 2,745 3.195,746 167.485,747 12,748 93.353,750 16.844,751 6.306,752 4.25,753 155.178,754 1.757,755 13.513,758 -3.515,759 18.011,760 343.782,761 30,762 11.935,763 -1.158,765 28.113,766 29.382,767 0.491,768 0.815,769 0.925,770 0.942,771 0.959,772 0.959,773 4.7,774 1.105,775 5.638,776 3.859,777 4.234,778 4.745,779 3.139,780 6.5,781 3.964,782 5.965,783 -0.066,784 7.245,785 2.836,786 4.205,787 4.771,788 3.903,789 7.719,790 3.705,791 7.308,792 -0.309,793 8.96,794 -0.176,795 5.943,796 6.946,797 5.431,798 10.725,799 5.465,800 8.679,801 -0.347,802 10.741,803 -0.768,804 6.608,805 7.627,806 6.69,807 12.732,808 5.945,809 10.074,810 -0.586,811 12.565,812 -0.891,813 7.971,814 9.402,815 8.059,816 15.392,817 7.296,818 11.487,819 -0.76,820 14.422,821 -1.357,822 8.938,823 10.407,824 9.388,825 17.716,826 8.122,827 12.917,828 -1,829 16.305,830 -2.352,831 10.18,832 12.002,833 10.734,834 20.274,835 9.313,836 3.406,837 -1,838 18.209,839 -2.963,840 11.282,841 13.182,842 12.074,843 22.719,844 10.297,845 2.82,846 12.427,847 20.129,848 -3,849 12.49,850 14.687,851 13.416,852 25.248,853 11.431,854 2.621,855 8.71,856 22.062,857 4.134,858 13.652,859 15.965,860 14.758,861 27.739,862 12.487,863 2.286,864 7.835,865 24.006,866 3.812,867 14.856,868 17.421,869 16.1,870 30.26,871 13.603,872 1.939,873 6.234,874 25.958,875 3.067,876 16.047,877 18.755,878 17.441,879 32.768,880 14.692,881 1.879,882 5.588,883 27.917,884 3.018,885 17.254,886 20.186,887 18.783,888 35.288,889 15.805,890 1.32,891 4.963,892 29.881,893 2.523,894 18.459,895 21.551,896 20.124,897 37.803,898 16.91,899 4338,900 11373,901 13.929,902 19.392,903 35.459,904 35.78,905 36.512,906 35.173,907 34.753,908 44.829,909 9.767,910 104.9,911 29.658,912 5.443,913 6.473,914 6.57,915 5.364,916 5.406,917 7.134,918 5.335,919 20.134,920 4.965,921 14.982,922 1.542,923 1.556,924 1.587,925 1.529,926 1.511,927 1.949,928 0.425,929 4.561,930 1.289,931 3.94,932 3.975,933 4.072,934 3.774,935 8.513,936 3.804,937 3.808,938 3.849,939 3.994,940 3.651,941 7.999,942 3.673,943 3.314,944 3.353,945 3.576,946 3.01,947 7.999,948 3.06,949 3.251,950 3.29,951 3.566,952 2.914,953 7.429,954 2.991,955 2.838,956 2.857,957 3.379,958 2.739,959 5.189,960 2.719,961 2.746,962 2.786,963 3.081,964 2.575,965 5.097,966 2.581,967 2.533,968 2.581,969 2.777,970 2.275,971 4.655,972 2.305,973 2.245,974 2.288,975 2.351,976 1.886,977 4.322,978 1.971,979 0.2,980 0.194,981 0.317,982 0.187,983 0.148,984 4.599,985 0.18,986 4.473,987 0.166,988 7.285,989 0.54,990 4.29,991 0.134,992 3.406,993 4.134,994 12.427,995 3.076,996 1.813,997 1.784,998 1.837,999 1.998,1000 0.892,1001 1.957,1002 1.699,1003 1.664,1004 1.713,1005 1.879,1006 0.746,1007 1.845,1008 1.084,1009 1.056,1010 1.124,1011 1.435,1012 0.01,1013 1.34,1014 0.986,1015 0.946,1016 1.017,1017 1.359,1019 1.266,1020 0.72,1021 0.697,1022 0.753,1023 0.886,1025 0.893,1026 0.614,1027 0.572,1028 0.652,1029 0.828,1031 0.822,1032 0.359,1033 0.326,1034 0.428,1035 0.684,1037 0.629,1040 0.179,1041 0.356,1043 0.335,1044 3.85,1045 5.209,1047 6.739,1049 8.354,1051 10.015,1053 16.439,1054 38.577,1058 2.09,1062 -4.889,1063 20.508,1064 57.003,1065 94.587,1066 107.342,1067 109.342,1068 111.342,1069 111.342,1070 58.958,1071 6.4,1072 80.66,1073 80.66,1074 12,1075 12.244,1076 3.807,1077 3,1078 42.05,1079 68,1080 56,1081 0.31,1082 137.976,1083 244.19,1084 328.422,1085 4181,1086 24,1087 16.491,1088 0.75,1089 0.563,1090 15.491,1091 12.387,1092 10.164,1093 0.442,1094 0.279,1095 5.2,1096 8.631,1097 5.097,1098 4.134,1099 9.818,1100 6.411,1101 10.551,1102 0.31,1103 0.14,1104 9.781,1105 4.762,1106 6.99,1107 0.179,1108 0.07,1109 6.944,1110 2.726,1111 6.088,1112 0.119,1113 0.038,1114 6.605,1115 1.922,1116 4.622,1117 0.077,1118 0.018,1119 3.895,1120 1.069,1121 0.473,1122 75.423,1123 0.268,1124 21.331,1125 0.892,1126 114,1127 669.592,1128 193.142,1129 648.265,1130 803.4,1131 592,1132 130,1133 486.394,1134 181.528,1135 498.461,1136 751.07,1137 463,1138 6.301}
{0 CHEMBL336546,1 2.069,2 9.179,3 4.947,4 24.472,5 79.025,6 13.263,7 0.414,8 3.701,9 3.771,10 3.662,11 3.138,12 5.218,13 3.274,14 4.301,15 4.395,16 4.301,17 3.462,18 6.753,19 3.643,20 4.333,21 4.435,22 4.177,23 3.582,24 6.159,25 3.722,26 4.549,27 4.701,28 4.231,29 3.5,30 6.354,31 3.709,32 4.477,33 4.592,34 4.438,35 3.343,36 6.712,37 3.627,38 4.429,39 4.578,40 4.197,41 3.218,42 6.861,43 3.469,44 4.082,45 4.177,46 3.94,47 3.145,48 6.397,49 3.346,50 4.034,51 4.152,52 3.887,53 3.061,54 5.917,55 3.305,56 0.848,57 1.338,58 1.323,59 3.048,60 175.317,61 1.49,62 1.945,63 2.564,64 4.019,65 5.098,66 379.94,67 2.41,68 1.653,69 2.014,70 3.559,71 5.597,72 305.113,73 3.318,74 2.638,75 2.176,76 16.041,77 7.102,78 493.091,79 4.67,80 1.77,81 1.799,82 8.437,83 5.395,84 387.991,85 2.695,86 2.816,87 2.242,88 12.446,89 6.128,90 532.692,91 3.066,92 1.425,93 1.448,94 6.563,95 4.11,96 286.344,97 2.299,98 1.562,99 1.691,100 5.044,101 4.379,102 284.665,103 2.119,104 131,105 46,106 0.386,107 0.659,108 0.719,109 0.782,110 0.782,111 0.782,112 3.375,113 0.742,114 -5.25,115 -5.14,116 -4.81,117 42.4,124 3,125 3,126 3,127 1,128 1,131 1,134 1,139 4,140 1,141 5,143 1,144 3,145 4,150 2,151 2,153 2,154 2,155 2,156 1,157 3,160 2,165 2,168 6,172 1,174 1,176 4,183 2,186 2,193 2,194 1136,195 16.587,196 16.587,197 16.587,198 16.587,199 16.587,200 15.138,201 22.486,202 9.097,203 17.656,204 14.305,205 14.305,206 14.305,207 14.305,208 14.305,209 11.909,210 30.795,211 4.349,212 16.321,213 2.976,214 1.516,215 1.19,216 0.857,217 0.857,218 0.857,219 4.02,221 1,223 1,224 1,225 514,226 5,228 203.107,229 1.321,230 99.816,232 1,233 1,234 1,235 0.6,236 0.5,237 1,238 1,239 0.87,240 72.333,241 257,242 4.604,243 4.482,244 7.285,245 4.296,246 3.41,247 4.138,248 12.427,249 3.086,250 4.561,251 4.473,252 7.183,253 4.27,254 3.393,255 4.046,256 3.825,257 11.964,258 3.015,259 4.292,260 4.439,261 7.052,262 4.059,263 3.23,264 3.425,265 3.825,266 11.446,267 2.676,268 3.939,269 3.571,270 6.082,271 3.647,272 2.721,273 3.133,274 1.058,275 8.669,276 2.454,277 3.724,278 2.922,279 5.436,280 3.304,281 2.414,282 3.035,283 7.228,284 2.134,285 3.568,286 2.634,287 5.072,288 3.061,289 2.207,290 2.851,291 6.129,292 1.789,293 2.965,294 2.165,295 4.684,296 2.551,297 1.644,298 2.079,299 4.949,300 1.438,301 2.744,302 1.91,303 4.414,304 2.239,305 1.298,306 1.758,307 3.92,308 1.168,309 2.65,310 1.634,311 4.377,312 2.211,313 1.285,314 1.698,315 3.819,316 1.157,317 2.571,318 1.29,319 3.847,320 2.023,321 1.102,322 1.593,323 2.83,324 1.002,325 1.202,326 0.564,327 2.963,328 0.841,329 -0.066,330 -0.079,331 -0.176,332 -0.052,333 1.153,334 0.51,335 2.861,336 0.607,337 -0.32,338 -0.438,339 -0.793,340 -0.272,341 0.756,342 0.51,343 2.814,344 0.333,345 -0.644,346 -0.852,347 -2.059,348 -0.625,349 0.642,350 0.51,351 2.674,352 0.137,353 -0.759,354 -0.966,355 -2.349,356 -0.638,357 0.549,358 0.51,359 2.348,360 0.12,361 -0.883,362 -1,364 -2.538,365 -0.7,366 11.819,367 0.422,368 1.5,369 0.054,370 32.75,371 1.17,372 14,373 0.5,374 18.75,375 0.67,376 23.45,377 0.838,378 33.781,379 1.024,380 35.537,381 1.269,382 7.095,383 0.253,384 5.492,385 0.196,386 0.306,387 0.127,388 0.296,389 9,390 0.751,391 0.976,392 0.504,393 0.957,394 0.788,395 0.826,396 0.455,397 0.634,398 0.484,399 0.801,400 0.448,401 0.871,402 0.766,403 0.94,404 0.714,405 1.14,406 0.711,407 1.325,408 1.271,409 1.107,410 1.212,411 0.998,412 1.237,413 1.091,414 0.943,415 0.942,416 0.839,417 1.028,418 1.087,419 0.994,420 1.165,421 0.831,422 1.197,423 0.746,424 1.155,425 0.972,426 0.791,427 1.023,428 0.863,429 0.933,430 0.685,431 0.974,432 1.447,433 1.518,434 1.109,435 1.275,436 1.348,437 1.171,438 11.5,439 0.186,440 4.444,441 3,442 2.64,443 1.833,444 0.734,445 0.571,446 0.543,447 0.586,448 7677,449 55626,450 1.816,451 15.2,453 3,455 1,456 1,459 1.716,460 1.592,461 3.139,462 -0.076,466 68.268,467 2.069,468 3.528,469 3.854,470 4.188,471 4.188,472 4.188,473 2.462,474 3.119,475 4.785,476 3.359,477 1269.54,478 8.35,479 16665.8,481 1,484 166.465,485 1.875,486 4.629,487 0.397,488 0.007,489 0.097,490 0.067,491 0.059,492 0.039,493 0.02,494 0.017,495 0.018,496 0.018,497 0.737,498 0.5,499 0.88,500 1.046,501 138.435,502 -0.056,503 -0.085,504 -0.019,505 -0.042,506 -0.096,507 0.002,508 0.438,509 0.376,510 0.155,511 0.142,512 0.436,513 -0.068,514 -0.017,515 -0.123,516 0.016,517 -0.247,518 0.013,519 -0.315,520 -0.357,521 -0.284,522 -0.128,523 -0.077,524 -0.326,525 0.14,526 -0.023,527 -0.059,528 0.114,529 -0.126,530 -0.138,531 -0.091,532 -0.026,533 0.231,534 -0.162,535 0.258,536 -0.022,537 0.134,538 0.074,539 -0.191,540 0.012,541 -0.02,542 0.197,543 0.036,544 -0.488,545 -0.508,546 -0.237,547 -0.292,548 -0.406,549 -0.182,550 6.457,551 5.018,552 0.429,553 21.51,554 1.148,555 1.218,556 4.021,557 16.17,558 0.677,559 3.401,560 3.85,561 3.951,562 4.159,563 4.443,564 4.419,565 4.466,566 4.344,567 4.431,568 4.5,569 5.968,570 0.764,571 437.67,572 3.401,573 5.017,574 5.844,575 6.77,576 7.63,577 8.545,578 9.419,579 10.327,580 11.208,581 12.112,582 9.1,586 1,588 2,589 4,590 2,593 6,594 12,596 1,604 1,605 33,606 13,607 1,608 29,609 34,610 14,611 10,612 3,613 3,614 1,615 2,616 2,617 1,618 3,620 3,622 11,623 3,624 1,625 1,626 1,630 9,631 5,632 13,633 1,634 14,635 1,637 3,638 1,641 1,643 2,644 2,647 1,648 9,649 28,653 1,657 3,659 10,660 3,662 1,665 17.583,666 6.079,667 5.639,668 1.636,670 2.297,671 1.332,672 0.961,673 5.671,674 9.209,675 3.611,676 4.248,677 4.718,678 5.251,679 5.792,680 5.926,681 6.162,682 6.116,683 6.452,684 6.701,685 0.833,686 45,687 14.382,688 9.955,689 9.608,690 16.774,691 13.363,692 4.108,693 115.028,695 47.084,696 83.173,697 51.582,698 39.149,699 25.145,700 134.641,702 83.173,703 111.378,704 186.223,706 18.011,707 28.429,708 75.192,709 158.759,710 41.792,711 35.313,712 23.279,713 47.084,714 134.754,715 159.786,716 39.149,717 47.084,718 159.786,720 55.736,721 45.447,722 33.571,723 39.149,724 181.725,725 76.727,726 122.321,729 70.363,730 22.418,731 37.476,732 18.011,733 232.506,734 47.084,735 211.368,736 122.321,737 0.627,738 0.32,739 0.149,740 0.099,741 22,742 13,743 0.059,744 2,745 3.526,746 240.991,747 12,748 108.341,750 21.944,751 7.236,752 5.352,753 211.368,754 0.405,755 5.992,758 -8.49,759 18.011,760 380.773,761 36,762 12.018,763 -1.684,765 37.872,766 40.197,767 0.41,768 0.699,769 0.764,770 0.83,771 0.83,772 0.83,773 4.942,774 1.298,775 5.994,776 4.949,777 4.533,778 4.934,779 4.139,780 6.932,781 4.3,782 6.245,783 1.285,784 7.665,785 3.92,786 4.745,787 5.112,788 4.988,789 8.416,790 4.261,791 7.625,792 1.102,793 9.452,794 3.819,795 6.392,796 7.153,797 6.52,798 11.361,799 5.93,800 9.033,801 -0.066,802 11.302,803 2.83,804 7.245,805 7.954,806 7.787,807 13.502,808 6.548,809 10.463,810 -0.32,811 13.189,812 -0.176,813 8.575,814 9.647,815 9.156,816 16.13,817 7.857,818 11.909,819 -0.644,820 15.099,821 -0.793,822 9.649,823 10.727,824 10.487,825 18.492,826 8.746,827 13.367,828 -0.759,829 17.026,830 -2.059,831 10.89,832 12.274,833 11.833,834 21.027,835 9.922,836 3.41,837 -0.883,838 18.964,839 -2.349,840 12.046,841 13.501,842 13.173,843 23.47,844 10.93,845 3.393,846 12.427,847 20.91,848 -2.538,849 13.262,850 14.978,851 14.515,852 25.975,853 12.057,854 3.23,855 11.964,856 22.862,857 4.138,858 14.45,859 16.285,860 15.856,861 28.448,862 13.118,863 2.721,864 11.446,865 24.819,866 4.046,867 15.66,868 17.728,869 17.198,870 30.945,871 14.229,872 2.414,873 8.669,874 26.779,875 3.425,876 16.862,877 19.08,878 18.54,879 33.431,880 15.315,881 2.207,882 7.228,883 28.742,884 3.133,885 18.073,886 20.505,887 19.881,888 35.927,889 16.423,890 1.644,891 6.129,892 30.707,893 3.035,894 19.281,895 21.883,896 21.223,897 38.419,898 17.521,899 8022,900 21697,901 16.701,902 22.335,903 46.406,904 44.979,905 47.415,906 45.873,907 45.408,908 55.511,909 25.068,910 146.76,911 39.836,912 5.455,913 6.482,914 6.57,915 5.367,916 5.41,917 7.138,918 5.335,919 20.135,920 5.086,921 22.258,922 1.6,923 1.551,924 1.635,925 1.582,926 1.566,927 1.914,928 0.864,929 5.061,930 1.374,931 3.999,932 4.026,933 4.025,934 3.896,935 8.521,936 3.907,937 3.882,938 3.913,939 3.934,940 3.733,941 8.509,942 3.76,943 3.431,944 3.47,945 3.562,946 3.113,947 8.509,948 3.179,949 3.38,950 3.423,951 3.475,952 3.086,953 7.999,954 3.139,955 3.275,956 3.325,957 3.382,958 2.918,959 7.999,960 2.991,961 3.076,962 3.103,963 3.162,964 2.796,965 7.999,966 2.842,967 2.703,968 2.762,969 2.867,970 2.418,971 7.999,972 2.469,973 2.554,974 2.613,975 2.53,976 2.298,977 7.999,978 2.331,979 0.159,980 0.155,981 0.251,982 0.148,983 0.118,984 4.604,985 0.143,986 4.482,987 0.132,988 7.285,989 0.429,990 4.296,991 0.106,992 3.41,993 4.138,994 12.427,995 3.086,996 1.926,997 1.905,998 1.994,999 2.046,1000 1.136,1001 2.025,1002 1.78,1003 1.754,1004 1.803,1005 1.951,1006 0.871,1007 1.911,1008 1.181,1009 1.151,1010 1.27,1011 1.532,1012 0.308,1013 1.431,1014 1.179,1015 1.141,1016 1.224,1017 1.513,1018 0.284,1019 1.414,1020 0.986,1021 0.947,1022 1.02,1023 1.389,1025 1.273,1026 0.854,1027 0.834,1028 0.923,1029 1.188,1031 1.09,1032 0.53,1033 0.475,1034 0.643,1035 0.857,1037 0.837,1038 0.439,1039 0.382,1040 0.641,1041 0.74,1043 0.739,1044 4.078,1045 5.493,1047 7.064,1049 8.705,1051 10.388,1053 5.226,1054 115.612,1058 1.553,1062 -15.604,1063 25.217,1064 68.268,1065 116.426,1066 127.181,1067 138.2,1068 138.2,1069 138.2,1070 137.064,1071 6.912,1072 54.88,1073 54.88,1074 12,1075 12.636,1076 3.807,1077 3,1078 61.563,1079 102,1080 86,1081 0.304,1082 153.28,1083 297.39,1084 365.764,1085 7889,1086 30.3,1087 21.491,1088 0.768,1089 0.487,1090 14.491,1091 13.648,1092 12.586,1093 0.434,1094 0.247,1095 6.534,1096 11.162,1097 6.567,1098 5.269,1099 9.241,1100 7.172,1101 14.467,1102 0.314,1103 0.119,1104 8.964,1105 5.486,1106 8.969,1107 0.176,1108 0.065,1109 6.472,1110 3.3,1111 6.825,1112 0.108,1113 0.033,1114 5.81,1115 2.101,1116 6.187,1117 0.074,1118 0.017,1119 3.606,1120 1.43,1121 0.466,1122 87.292,1123 0.245,1124 26.113,1125 0.869,1126 150,1127 1130.56,1128 225.969,1129 866.36,1130 1053.76,1131 788,1132 172,1133 663.034,1134 221.466,1135 619.68,1136 965.99,1137 575,1138 7.301}
{0 CHEMBL337482,1 1.952,2 14.6,3 7.014,4 49.189,5 116.856,6 9.227,7 0.333,8 4.145,9 4.248,10 3.842,11 3.61,12 5.4,13 3.64,14 4.741,15 4.897,16 4.344,17 3.952,18 6.622,19 3.977,20 4.92,21 5.128,22 4.295,23 4.073,24 6.278,25 4.066,26 5.012,27 5.218,28 4.353,29 4.023,30 6.442,31 4.062,32 4.971,33 5.155,34 4.528,35 3.956,36 6.783,37 4.025,38 4.907,39 5.098,40 4.261,41 3.923,42 6.577,43 3.949,44 4.819,45 5.003,46 4.225,47 3.921,48 6.49,49 3.945,50 4.863,51 5.061,52 4.225,53 3.891,54 6.321,55 3.943,56 0.444,57 1.212,58 7.337,59 5.591,60 81.756,61 5.648,62 1.859,63 2.38,64 21.66,65 9.109,66 310.3,67 10.075,68 1.374,69 1.889,70 29.286,71 11.088,72 183.227,73 13.86,74 1.878,75 2.076,76 36.123,77 11.67,78 284.946,79 12.831,80 2.249,81 1.895,82 35.46,83 10.327,84 313.039,85 11.416,86 2.235,87 1.621,88 32.848,89 10.294,90 340.593,91 11.267,92 1.627,93 1.809,94 26.65,95 9.716,96 269.99,97 11.034,98 1.691,99 2.034,100 28.792,101 10.27,102 265.359,103 10.083,104 118,105 51,106 0.323,107 0.613,108 0.738,109 0.831,110 0.871,111 0.883,112 3.588,113 0.917,114 -6.73,115 -6.55,116 -6.07,117 38.6,118 1,119 6,121 1,124 2,125 3,126 3,127 1,128 1,131 1,134 2,139 10,140 2,141 8,143 1,144 3,145 9,148 5,150 2,151 6,153 2,154 6,155 2,156 1,157 7,160 6,161 2,165 7,168 8,172 1,174 6,175 2,176 8,179 1,180 5,183 4,185 1,186 7,188 4,189 2,192 1,193 8,194 2614,195 22.142,196 22.142,197 22.142,198 22.142,199 22.142,200 20.563,201 22.373,202 13.229,203 23.074,204 17.757,205 17.757,206 17.757,207 17.757,208 17.757,209 15.109,210 26.515,211 6.329,212 19.433,213 3.881,214 2.127,215 1.369,216 0.812,217 0.566,218 0.496,219 4.248,221 1,225 1029,226 5.477,228 270.566,229 2.331,230 91.113,232 0.5,233 0.5,234 0.5,235 0.8,236 1,237 0.5,238 0.5,239 0.61,240 83.833,241 511,242 4.601,243 4.473,244 7.285,245 4.291,246 3.406,247 4.137,248 12.427,249 3.083,250 4.501,251 4.461,252 7.124,253 4.209,254 3.336,255 4.021,256 3.825,257 11.741,258 2.988,259 4.085,260 3.661,261 6.105,262 3.769,263 2.82,264 3.34,265 1.674,266 8.865,267 2.604,268 3.916,269 3.569,270 6.038,271 3.615,272 2.677,273 3.111,274 1.058,275 8.556,276 2.446,277 3.695,278 2.922,279 5.342,280 3.246,281 2.356,282 3.032,283 6.867,284 2.114,285 3.526,286 2.624,287 5.06,288 3.046,289 2.165,290 2.808,291 6.08,292 1.874,293 2.966,294 2.165,295 4.6,296 2.879,297 1.887,298 2.053,299 4.666,300 1.785,301 2.871,302 2.029,303 4.41,304 2.592,305 1.645,306 1.885,307 3.857,308 1.551,309 2.744,310 1.892,311 4.148,312 2.451,313 1.501,314 1.756,315 3.821,316 1.385,317 2.677,318 1.756,319 3.854,320 2.237,321 1.297,322 1.703,323 3.473,324 1.169,325 2.571,326 1.604,327 3.83,328 2.196,329 1.236,330 1.593,331 2.839,332 1.164,333 2.486,334 1.291,335 3.457,336 2.023,337 1.102,338 1.453,339 2.716,340 1.002,341 2.026,342 1.29,343 2.971,344 1.897,345 0.893,346 0.975,347 1.708,348 0.889,349 1.453,350 0.698,351 2.962,352 1.339,353 0.36,354 0.381,355 0.628,356 0.349,357 1.202,358 0.564,359 2.84,360 0.841,361 -0.066,362 -0.079,364 -0.176,365 -0.052,366 15.629,367 0.447,368 1.262,369 0.036,370 37.75,371 1.079,372 15.5,373 0.443,374 22.25,375 0.636,376 35.767,377 1.022,378 41.971,379 0.736,380 38.744,381 1.107,382 7.364,383 0.21,384 8.96,385 0.256,386 0.23,387 0.064,388 0.256,389 6,390 0.604,391 1.051,392 0.563,393 1.159,394 0.604,395 1.014,396 0.401,397 0.729,398 0.573,399 1.027,400 0.357,401 1.011,402 0.552,403 0.807,404 0.552,405 0.995,406 0.499,407 0.928,408 0.97,409 0.988,410 0.767,411 0.939,412 0.948,413 0.847,414 0.732,415 0.822,416 0.658,417 0.964,418 0.823,419 0.868,420 0.851,421 0.853,422 0.76,423 0.863,424 0.875,425 0.886,426 0.679,427 0.958,428 0.689,429 0.996,430 0.618,431 0.946,432 1.222,433 1.277,434 0.866,435 1.043,436 1.188,437 0.946,438 10,439 0.301,440 4.222,441 2.875,442 2.582,443 1.632,444 0.876,445 0.708,446 0.65,447 0.632,448 16332,449 69452,450 1.873,451 38.6,452 13,453 5,455 1,456 1,458 2,459 1.77,460 1.694,461 3.711,462 -0.231,466 111.24,467 1.952,468 3.705,469 4.464,470 5.021,471 5.267,472 5.337,473 3.258,474 4.743,475 5.09,476 3.949,477 2349.77,478 8.96,479 37738.7,484 332.475,485 1.763,486 5.003,487 0.278,488 0.007,489 0.083,490 0.055,491 0.049,492 0.03,493 0.019,494 0.015,495 0.014,496 0.013,497 0.563,498 0.17,499 0.63,500 2.139,501 191.007,502 -0.037,503 -0.088,504 0.006,505 -0.067,506 -0.062,507 -0.022,508 0.436,509 0.281,510 0.194,511 -0.009,512 0.446,513 -0.036,514 0.09,515 -0.083,516 0.248,517 -0.032,518 0.104,519 0.133,520 -0.094,521 -0.17,522 0.141,523 0.002,524 -0.08,525 0.158,526 0.264,527 0.103,528 0.302,529 -0.02,530 0.178,531 0.079,532 0.113,533 0.021,534 0.121,535 0.093,536 0.074,537 0.105,538 0.123,539 -0.142,540 0.134,541 -0.035,542 0.186,543 0.058,544 -0.214,545 -0.226,546 0.011,547 -0.058,548 -0.185,549 0.037,550 6.335,551 5.422,552 0.343,553 44.266,554 1.056,555 1.167,556 5.501,557 30.26,558 0.645,559 3.611,560 3.951,561 4.078,562 4.277,563 4.522,564 4.511,565 4.605,566 4.554,567 4.682,568 4.754,569 8.213,570 0.652,571 525.92,572 3.611,573 5.165,574 5.974,575 6.858,576 7.701,577 8.588,578 9.449,579 10.337,580 11.209,581 12.098,582 5.3,586 1,588 2,589 4,590 2,593 6,594 12,596 1,598 1,604 1,605 57,606 14,607 1,608 36,609 58,610 22,611 10,612 3,613 3,614 2,615 2,616 2,617 1,618 3,620 2,621 6,622 12,623 10,624 2,625 2,626 2,630 6,631 22,632 12,633 1,634 13,635 1,637 3,638 3,641 1,643 2,644 2,646 1,647 1,648 6,649 35,652 7,653 1,654 1,657 2,659 7,660 5.3,662 2,664 1,665 20.667,666 10.483,667 7.667,668 3.696,670 2.331,671 1.318,672 0.927,673 10.21,674 9.664,675 3.807,676 4.344,677 4.804,678 5.312,679 5.838,680 5.992,681 6.25,682 6.269,683 6.6,684 6.848,685 0.9,686 52,687 14.954,688 8.122,689 8.77,690 22.929,691 18.042,692 3.27,693 114.444,695 247.193,696 111.229,697 51.582,698 39.149,699 61.29,700 89.761,702 111.229,703 347.632,704 141.342,705 8.825,706 37.81,707 28.429,708 107.528,709 124.878,710 41.792,711 235.422,712 15.519,713 247.193,714 162.811,715 151.05,716 39.149,717 223.651,718 174.593,720 76.602,721 52.638,722 33.571,723 39.149,724 336.954,725 112.872,726 150.378,729 262.712,730 49.409,731 46.301,732 18.011,733 223.77,734 247.193,735 202.632,736 150.378,737 0.586,738 0.309,739 0.151,740 0.093,741 20,742 12,743 0.19,744 11,745 4.332,746 307.248,747 12,748 170.015,750 28.716,751 12.444,752 8.889,753 202.632,754 2.385,755 6.312,758 -5.899,759 18.011,760 600.203,761 44,762 24.727,763 -2.509,765 60.174,766 66.503,767 0.335,768 0.635,769 0.765,770 0.861,771 0.903,772 0.915,773 5.075,774 1.645,775 6.033,776 4.666,777 4.635,778 5.03,779 3.882,780 6.893,781 4.47,782 6.305,783 1.501,784 7.642,785 3.857,786 4.575,787 5.037,788 4.586,789 8.199,790 4.186,791 7.639,792 1.297,793 9.372,794 3.821,795 6.354,796 7.171,797 6.151,798 11.182,799 6.009,800 9.008,801 1.236,802 11.176,803 3.473,804 7.048,805 7.9,806 7.382,807 13.247,808 6.487,809 10.409,810 1.102,811 13.025,812 2.839,813 8.425,814 9.626,815 8.758,816 15.883,817 7.863,818 11.832,819 0.893,820 14.905,821 2.716,822 9.422,823 10.678,824 10.082,825 18.217,826 8.684,827 13.272,828 0.36,829 16.808,830 1.708,831 10.673,832 12.238,833 11.429,834 20.753,835 9.887,836 3.406,837 -0.066,838 18.725,839 0.628,840 11.793,841 13.453,842 12.767,843 23.187,844 10.863,845 3.336,846 12.427,847 20.655,848 -0.176,849 13.006,850 14.935,851 14.11,852 25.695,853 12,854 2.82,855 11.741,856 22.594,857 4.137,858 14.176,859 16.236,860 15.451,861 28.169,862 13.046,863 2.677,864 8.865,865 24.54,866 4.021,867 15.381,868 17.681,869 16.793,870 30.671,871 14.159,872 2.356,873 8.556,874 26.492,875 3.34,876 16.574,877 19.03,878 18.134,879 33.161,880 15.238,881 2.165,882 6.867,883 28.449,884 3.111,885 17.78,886 20.456,887 19.476,888 35.662,889 16.345,890 1.887,891 6.08,892 30.409,893 3.032,894 18.983,895 21.831,896 20.818,897 38.16,898 17.44,899 16816,900 35495,901 21.959,902 36.762,903 54.014,904 53.912,905 55.05,906 53.915,907 53.364,908 64.498,909 20.766,910 156.49,911 48.806,912 5.546,913 6.473,914 7.256,915 5.361,916 5.406,917 7.137,918 5.5,919 20.135,920 5.083,921 25.342,922 1.5,923 1.498,924 1.529,925 1.498,926 1.482,927 1.792,928 0.577,929 4.347,930 1.356,931 4.001,932 4.025,933 4.025,934 3.899,935 8.517,936 3.91,937 3.881,938 3.91,939 3.926,940 3.733,941 8.509,942 3.76,943 3.781,944 3.845,945 3.619,946 3.657,947 7.999,948 3.637,949 3.587,950 3.649,951 3.561,952 3.421,953 7.999,954 3.407,955 3.407,956 3.443,957 3.467,958 3.152,959 7.999,960 3.188,961 3.376,962 3.414,963 3.392,964 3.09,965 7.999,966 3.143,967 3.278,968 3.33,969 3.313,970 3.016,971 7.434,972 3.012,973 3.218,974 3.281,975 3.144,976 2.917,977 7.428,978 2.991,979 0.128,980 0.124,981 0.202,982 0.119,983 0.095,984 4.601,985 0.115,986 4.473,987 0.106,988 7.285,989 0.345,990 4.291,991 0.086,992 3.406,993 4.137,994 12.427,995 3.083,996 1.927,997 1.909,998 2.048,999 2.045,1000 1.395,1001 2.027,1002 1.792,1003 1.755,1004 1.996,1005 1.96,1006 1.175,1007 1.986,1008 1.779,1009 1.729,1010 1.88,1011 1.942,1012 1.125,1013 1.911,1014 1.592,1015 1.525,1016 1.803,1017 1.79,1018 0.872,1019 1.821,1020 1.309,1021 1.256,1022 1.631,1023 1.57,1024 0.865,1025 1.579,1026 1.18,1027 1.143,1028 1.352,1029 1.517,1030 0.543,1031 1.429,1032 1.148,1033 1.108,1034 1.266,1035 1.423,1036 0.294,1037 1.378,1038 0.986,1039 0.947,1040 1.212,1041 1.381,1042 0.276,1043 1.274,1044 4.29,1045 5.624,1047 7.13,1049 8.724,1051 10.372,1052 2.062,1053 5.368,1054 79.667,1057 5.378,1058 1.924,1059 5.021,1062 -9.992,1063 37.184,1064 111.24,1065 211.213,1066 254.436,1067 286.21,1068 300.21,1069 304.21,1070 184.585,1071 7.332,1072 81.18,1073 81.18,1074 12,1075 12.631,1076 3.907,1077 3.17,1078 88.952,1079 166,1080 244,1081 0.254,1082 231.49,1083 432.52,1084 556.595,1085 14964,1086 12.3,1087 26.225,1088 0.749,1089 0.551,1090 21.725,1091 19.28,1092 16.324,1093 0.453,1094 0.306,1095 10.4,1096 14.996,1097 10.273,1098 8.494,1099 14.19,1100 11.009,1101 16.051,1102 0.315,1103 0.155,1104 12.506,1105 7.892,1106 10.848,1107 0.187,1108 0.085,1109 9.341,1110 4.94,1111 8.29,1112 0.117,1113 0.045,1114 7.623,1115 3.186,1116 7.103,1117 0.078,1118 0.023,1119 5.393,1120 2.097,1121 0.404,1122 108.951,1123 0.213,1124 32.514,1125 0.682,1126 174,1127 993.7,1128 238.819,1129 810.886,1130 1006.48,1131 742,1132 196,1133 646.125,1134 240.306,1135 619.984,1136 946.51,1137 577,1138 5.921}
{0 CHEMBL337516,1 2.173,2 8.043,3 4.597,4 21.132,5 81.584,6 12.819,7 0.5,8 3.561,9 3.632,10 3.546,11 3.143,12 4.941,13 3.181,14 4.086,15 4.199,16 4.081,17 3.487,18 6.044,19 3.539,20 4.2,21 4.297,22 4.079,23 3.634,24 5.798,25 3.648,26 4.317,27 4.431,28 4.239,29 3.584,30 5.985,31 3.632,32 4.37,33 4.508,34 4.243,35 3.507,36 6.396,37 3.559,38 4.148,39 4.285,40 3.91,41 3.395,42 5.806,43 3.394,44 4.058,45 4.246,46 3.72,47 3.212,48 5.666,49 3.236,50 3.804,51 3.924,52 3.781,53 3.006,54 5.54,55 3.037,56 0.364,57 0.635,58 1.059,59 2.211,60 52.425,61 1.694,62 0.974,63 1.261,64 5.696,65 3.97,66 154.267,67 2.872,68 0.806,69 0.996,70 9.803,71 4.724,72 95.273,73 3.721,74 1.069,75 1.126,76 12.056,77 5.59,78 148.844,79 4.335,80 1.487,81 0.985,82 17.094,83 6.377,84 227.746,85 5.075,86 0.928,87 0.841,88 17.761,89 5.201,90 110.512,91 4.29,92 1.106,93 0.894,94 11.592,95 5.056,96 157.759,97 3.759,98 0.847,99 0.648,100 14.121,101 3.956,102 118.384,103 2.415,104 66,105 36,106 0.414,107 0.738,108 0.806,109 0.824,110 0.824,111 0.824,112 3.189,113 0.883,114 -4.79,115 -4.7,116 -4.41,117 43.3,120 1,124 1,125 3,126 1,127 3,128 1,131 1,134 1,140 2,141 8,145 7,153 4,154 5,157 6,168 9,174 3,183 6,186 2,194 686,195 14.195,196 14.195,197 14.195,198 14.195,199 14.195,200 12.614,201 17.395,202 7.991,203 15.085,204 11.797,205 11.797,206 11.797,207 11.797,208 11.797,209 9.304,210 21.644,211 3.795,212 13.431,213 2.734,214 1.034,215 0.675,216 0.584,217 0.584,218 0.584,219 3.834,220 2,221 1,223 1,224 1,225 374,226 3.873,228 161.752,229 1.18,230 51.346,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 54,241 185,242 4.616,243 4.473,244 7.295,245 4.309,246 3.416,247 4.149,248 12.48,249 3.121,250 4.263,251 3.712,252 6.508,253 3.925,254 3.001,255 3.85,256 1.2,257 9.938,258 2.725,259 3.931,260 3.14,261 5.853,262 3.543,263 2.632,264 3.165,265 0.293,266 8.084,267 2.343,268 3.699,269 2.926,270 5.308,271 3.195,272 2.361,273 3.034,275 6.645,276 1.93,277 3.366,278 2.623,279 5.029,280 2.925,281 2.046,282 2.614,283 5.916,284 1.7,285 3.232,286 2.524,287 4.618,288 2.707,289 1.879,290 2.481,291 4.963,292 1.441,293 2.812,294 2.14,295 4.578,296 2.324,297 1.386,298 1.865,299 4.151,300 1.244,301 2.576,302 1.29,303 4.051,304 2.038,305 1.133,306 1.605,307 3.039,308 1.013,309 1.9,310 1.199,311 3.327,312 1.508,313 0.527,314 0.664,315 1.268,316 0.499,317 1.165,318 0.51,319 2.837,320 0.626,321 -0.239,322 -0.315,323 -0.557,324 -0.169,325 1,326 0.51,327 2.442,328 0.473,329 -0.347,330 -0.445,331 -0.891,332 -0.229,333 0.849,334 0.472,335 2.382,336 0.367,337 -0.478,338 -0.589,339 -1.187,340 -0.289,341 0.642,342 0.262,343 2.31,344 0.137,345 -0.759,346 -0.969,347 -2.352,348 -0.64,349 0.164,350 0.173,351 2,352 -0.27,353 -1,354 -1,355 -2.575,356 -0.7,357 0.115,358 -0.242,359 2,360 -0.3,361 -1,362 -1,364 -3,365 -0.7,366 11.033,367 0.48,368 0.995,369 0.043,370 29.5,371 1.283,372 14,373 0.609,374 15.5,375 0.674,376 18.663,377 0.811,378 25.567,379 0.852,380 24.594,381 1.069,382 6.047,383 0.263,384 4.544,385 0.198,386 0.347,387 0.045,388 0.353,389 3,390 0.651,391 1.046,392 0.474,393 0.815,394 0.652,395 0.772,396 0.504,397 0.652,398 0.529,399 0.591,400 0.433,401 0.596,402 0.762,403 0.81,404 0.992,405 1.035,406 0.698,407 1.11,408 0.958,409 1.057,410 0.693,411 0.994,412 1.075,413 1.037,414 0.782,415 0.766,416 0.817,417 0.894,418 0.943,419 0.973,420 0.827,421 0.903,422 1.278,423 1.339,424 0.729,425 1.372,426 1.622,427 1.28,428 0.937,429 0.656,430 1.569,431 0.82,432 1.886,433 1.488,434 2.003,435 1.36,436 1.811,437 1.219,438 7.5,439 0.012,440 3.333,441 2.625,442 2.164,443 1.104,444 0.488,445 0.384,446 0.345,447 0.148,448 4504,449 26767,450 1.865,451 23.3,453 6,455 1,459 1.664,460 1.653,461 3.01,462 -0.558,466 65.185,467 2.173,468 3.873,469 4.231,470 4.323,471 4.323,472 4.323,473 2.442,474 3.729,475 4.499,476 3.16,477 799.429,478 7.777,479 8928.39,481 1,484 147.207,485 1.762,486 4.376,487 0.313,488 0.004,489 0.093,490 0.071,491 0.058,492 0.032,493 0.019,494 0.017,495 0.018,496 0.011,497 0.635,498 0.5,499 1,500 0.923,501 105.484,502 -0.056,503 -0.177,504 -0.002,505 -0.094,506 -0.094,507 -0.058,508 0.335,509 0.36,510 0.117,511 0.239,512 0.403,513 0.211,514 -0.053,515 -0.012,516 -0.208,517 -0.198,518 -0.021,519 -0.254,520 -0.089,521 -0.234,522 0.104,523 -0.103,524 -0.151,525 -0.095,526 0.317,527 0.246,528 0.1,529 0.101,530 0.23,531 0.056,532 -0.028,533 -0.196,534 -0.198,535 -0.382,536 0.018,537 -0.275,538 -0.46,539 -0.096,540 -0.027,541 0.395,542 -0.371,543 0.33,544 -0.599,545 -0.252,546 -0.557,547 -0.185,548 -0.564,549 -0.229,550 6.107,551 5.363,552 0.522,553 15.558,554 1.085,555 1.154,556 3.556,557 12.648,558 0.755,559 3.219,560 3.611,561 3.784,562 4.025,563 4.22,564 4.143,565 4.078,566 3.951,567 4.007,568 3.932,569 5.12,570 0.768,571 384.58,572 3.219,573 4.796,574 5.631,575 6.538,576 7.399,577 8.303,578 9.175,579 10.076,580 10.953,581 11.852,582 10,586 1,588 2,589 4,590 2,593 6,594 12,597 1,604 3,605 30,606 13,607 1,608 24,609 31,610 13,611 10,612 3,613 3,614 1,615 2,616 2,617 3,618 1,620 1,622 11,623 2,624 1,625 1,626 1,629 1,630 3,631 7,632 7,634 10,635 3,637 3,638 1,641 1,643 2,644 2,646 1,647 3,648 3,649 23,656 1,657 1,659 6,660 3.3,662 1,665 13.917,666 5.957,667 4.861,668 1.543,670 2.22,671 1.343,672 0.954,673 5.166,674 8.684,675 3.466,676 4.094,677 4.605,678 5.143,679 5.625,680 5.708,681 5.781,682 5.864,683 6.151,684 6.386,685 1,686 37,687 9.203,688 4.672,689 8.728,690 14.632,691 11.46,692 3.228,693 74.25,695 82.398,696 76.68,697 36.695,698 117.446,699 25.145,700 44.88,702 76.68,703 224.989,704 81.576,705 8.396,706 3.124,707 28.429,708 75.192,709 69.628,710 41.792,711 70.627,712 86.057,713 82.398,714 113.375,715 70.025,716 117.446,717 82.398,718 70.025,720 25.331,721 54.473,722 111.868,723 39.149,724 127.278,725 61.84,726 194.126,729 90.157,730 23.048,731 48.997,733 221.042,734 82.398,735 106.721,736 194.126,737 0.608,738 0.335,739 0.174,740 0.102,741 17,742 10,743 0.065,744 2,745 3.207,746 181.915,747 12,748 93.287,750 17.956,751 6.617,752 4.123,753 106.721,754 4.922,755 6.547,758 -2.077,760 383.244,761 31,762 12.363,763 -0.979,765 32.56,766 34.631,767 0.443,768 0.789,769 0.862,770 0.881,771 0.881,772 0.881,773 4.745,774 1.133,775 5.714,776 4.151,777 4.29,778 4.779,779 3.166,780 6.6,781 4.058,782 6.012,783 0.527,784 7.341,785 3.039,786 4.29,787 4.82,788 3.911,789 7.842,790 3.835,791 7.361,792 -0.239,793 9.077,794 1.268,795 6.023,796 6.983,797 5.436,798 10.874,799 5.611,800 8.738,801 -0.347,802 10.874,803 -0.557,804 6.723,805 7.689,806 6.691,807 12.875,808 6.129,809 10.141,810 -0.478,811 12.711,812 -0.891,813 8.078,814 9.45,815 8.059,816 15.546,817 7.49,818 11.562,819 -0.759,820 14.577,821 -1.187,822 9.066,823 10.473,824 9.389,825 17.851,826 8.339,827 12.998,828 -1,829 16.465,830 -2.352,831 10.304,832 12.059,833 10.734,834 20.411,835 9.541,836 3.416,837 -1,838 18.37,839 -2.575,840 11.415,841 13.252,842 12.074,843 22.839,844 10.539,845 3.001,846 12.48,847 20.29,848 -3,849 12.621,850 14.751,851 13.417,852 25.366,853 11.684,854 2.632,855 9.938,856 22.22,857 4.149,858 13.785,859 16.038,860 14.758,861 27.845,862 12.749,863 2.361,864 8.084,865 24.159,866 3.85,867 14.986,868 17.493,869 16.1,870 30.363,871 13.875,872 2.046,873 6.645,874 26.106,875 3.165,876 16.176,877 18.833,878 17.441,879 32.865,880 14.971,881 1.879,882 5.916,883 28.058,884 3.034,885 17.381,886 20.265,887 18.783,888 35.382,889 16.094,890 1.386,891 4.963,892 30.016,893 2.614,894 18.583,895 21.635,896 20.124,897 37.895,898 17.206,899 4699,900 11583,901 14.334,902 22.665,903 37.54,904 37.936,905 39.134,906 37.346,907 36.765,908 46.855,909 10.636,910 112.968,911 32.033,912 5.463,913 6.473,914 6.58,915 5.379,916 5.416,917 7.149,918 5.335,919 20.368,920 5.121,921 16.315,922 1.564,923 1.581,924 1.631,925 1.556,926 1.532,927 1.952,928 0.443,929 4.707,930 1.335,931 3.973,932 4,933 4.101,934 3.88,935 8.513,936 3.881,937 3.854,938 3.88,939 3.998,940 3.73,941 7.999,942 3.751,943 3.416,944 3.472,945 3.585,946 3.174,947 7.999,948 3.201,949 3.277,950 3.328,951 3.582,952 2.918,953 7.428,954 2.991,955 2.967,956 3.007,957 3.426,958 2.849,959 5.101,960 2.815,961 2.901,962 2.918,963 3.122,964 2.766,965 5.017,966 2.775,967 2.749,968 2.807,969 2.835,970 2.624,971 4.632,972 2.595,973 2.562,974 2.615,975 2.619,976 2.296,977 4.301,978 2.324,979 0.192,980 0.186,981 0.304,982 0.18,983 0.142,984 4.616,985 0.173,986 4.473,987 0.159,988 7.295,989 0.52,990 4.309,991 0.13,992 3.416,993 4.149,994 12.48,995 3.121,996 1.896,997 1.876,998 1.949,999 2.019,1000 1.087,1001 2,1002 1.773,1003 1.748,1004 1.797,1005 1.911,1006 0.876,1007 1.892,1008 1.319,1009 1.25,1010 1.59,1011 1.582,1012 0.649,1013 1.586,1014 0.986,1015 0.947,1016 1.041,1017 1.396,1018 0.13,1019 1.276,1020 0.866,1021 0.827,1022 1.018,1023 1.138,1024 0.105,1025 1.109,1026 0.849,1027 0.825,1028 1,1029 0.962,1031 1.004,1032 0.748,1033 0.698,1034 0.853,1035 0.907,1037 0.934,1038 0.424,1039 0.381,1040 0.571,1041 0.736,1043 0.718,1044 3.892,1045 5.263,1047 6.81,1049 8.441,1051 10.118,1052 1.277,1053 17.034,1054 39.063,1061 0.958,1062 -4.857,1063 23.045,1064 65.185,1065 116.187,1066 126.942,1067 129.697,1068 129.697,1069 129.697,1070 70.296,1071 6.465,1072 46.09,1073 46.09,1074 12,1075 12.379,1076 3.807,1077 3,1078 44.974,1079 70,1080 59,1081 0.323,1082 153.165,1083 274.09,1084 365.482,1085 4402,1086 20,1087 17.361,1088 0.755,1089 0.591,1090 16.361,1091 13.595,1092 10.591,1093 0.441,1094 0.294,1095 5.871,1096 9.106,1097 5.673,1098 4.632,1099 10.246,1100 7.066,1101 10.95,1102 0.304,1103 0.156,1104 10.18,1105 5.602,1106 7.742,1107 0.18,1108 0.079,1109 7.695,1110 3.416,1111 6.287,1112 0.114,1113 0.044,1114 6.761,1115 2.412,1116 5.041,1117 0.075,1118 0.022,1119 4.517,1120 1.487,1121 0.488,1122 77.385,1123 0.264,1124 21.998,1125 0.947,1126 120,1127 641.614,1128 193.334,1129 623.899,1130 772.52,1131 570,1132 139,1133 462.675,1134 188.196,1135 478.024,1136 718.77,1137 444,1138 5.523}
{0 CHEMBL337695,1 2.219,2 12.444,3 3.854,4 14.852,5 113.967,6 10.638,7 0.324,8 4.105,9 4.184,10 4.039,11 3.579,12 5.429,13 3.61,14 4.701,15 4.818,16 4.494,17 3.879,18 6.71,19 3.937,20 4.799,21 4.928,22 4.456,23 4.019,24 6.382,25 4.041,26 4.898,27 5.022,28 4.506,29 4.013,30 6.52,31 4.084,32 4.999,33 5.129,34 4.651,35 3.965,36 6.937,37 4.069,38 4.913,39 5.082,40 4.393,41 3.963,42 6.636,43 3.99,44 4.838,45 4.986,46 4.387,47 3.96,48 6.596,49 3.996,50 4.858,51 5.023,52 4.455,53 3.935,54 6.406,55 3.994,56 0.785,57 1.132,58 5.546,59 5.846,60 110.953,61 4.176,62 2.36,63 2.221,64 20.136,65 9.254,66 328.65,67 7.164,68 2.03,69 1.779,70 23.935,71 10.95,72 221.762,73 8.462,74 2.398,75 2.005,76 28.207,77 12.166,78 345.416,79 7.746,80 2.875,81 1.842,82 27.105,83 10.504,84 383.529,85 8.221,86 2.804,87 1.594,88 32.47,89 11.574,90 392.86,91 10.247,92 2.218,93 1.807,94 22.657,95 10.151,96 340.026,97 9.098,98 2.459,99 2.089,100 28.855,101 12.124,102 374.059,103 8.845,104 169,105 55,106 0.371,107 0.689,108 0.795,109 0.829,110 0.829,111 0.829,112 3.616,113 0.964,114 -4.09,115 -4.04,116 -3.82,117 35.8,118 2,121 2,122 1,124 2,125 3,126 3,127 1,128 1,131 1,134 2,139 4,140 5,141 9,143 1,144 3,145 4,147 3,148 4,150 2,151 2,153 2,154 8,155 2,156 1,157 3,159 3,160 9,161 2,165 2,168 12,172 1,174 2,175 2,176 11,180 2,183 5,184 3,186 6,188 4,193 4,194 2552,195 22.391,196 22.391,197 22.391,198 22.391,199 22.391,200 20.654,201 26.687,202 12.804,203 23.56,204 18.141,205 18.141,206 18.141,207 18.141,208 18.141,209 15.14,210 30.003,211 5.84,212 20.01,213 3.509,214 1.609,215 0.977,216 0.774,217 0.774,218 0.774,219 4.27,221 1,224 1,225 895,226 5.831,228 278.413,229 2.056,230 107.346,232 0.75,233 0.5,234 0.67,235 0.7,236 1,237 0.83,238 1,239 0.78,240 88.5,241 448,242 4.601,243 4.473,244 7.285,245 4.291,246 3.406,247 4.137,248 12.427,249 3.208,250 4.519,251 4.461,252 7.124,253 4.25,254 3.336,255 4.022,256 3.825,257 11.763,258 3.083,259 4.493,260 3.675,261 6.967,262 4.206,263 3.263,264 3.842,265 1.674,266 11.739,267 2.986,268 4.08,269 3.57,270 6.104,271 3.762,272 2.813,273 3.337,274 1.058,275 8.862,276 2.6,277 3.914,278 3.325,279 6.037,280 3.612,281 2.673,282 3.109,283 8.553,284 2.445,285 3.693,286 2.922,287 5.341,288 3.24,289 2.351,290 3.032,291 6.864,292 2.11,293 3.522,294 2.621,295 5.06,296 3.042,297 2.156,298 2.805,299 6.079,300 1.785,301 2.937,302 2.164,303 4.599,304 2.505,305 1.586,306 2.03,307 4.653,308 1.416,309 2.742,310 1.902,311 4.41,312 2.238,313 1.297,314 1.756,315 3.826,316 1.172,317 2.648,318 1.781,319 4.146,320 2.212,321 1.285,322 1.661,323 3.507,324 1.166,325 2.571,326 1.727,327 3.846,328 2.142,329 1.247,330 1.592,331 2.829,332 1.104,333 2.247,334 1.602,335 3.732,336 2.023,337 1.102,338 1.247,339 2.2,340 1.002,341 2.113,342 1.294,343 3.59,344 1.941,345 1.012,346 1.074,347 1.778,348 0.927,349 1.706,350 1.29,351 2.963,352 1.351,353 0.4,354 0.474,355 0.832,356 0.372,357 1.202,358 0.564,359 2.843,360 0.841,361 -0.066,362 -0.079,364 -0.176,365 -0.052,366 16.129,367 0.448,368 1.494,369 0.042,370 41,371 1.139,372 17,373 0.472,374 24,375 0.667,376 35.48,377 0.986,378 43.271,379 0.816,380 45.591,381 1.266,382 8.474,383 0.235,384 8.118,385 0.225,386 0.275,387 0.124,388 0.248,389 6,390 0.755,391 1.103,392 0.604,393 1.46,394 0.685,395 1.01,396 0.568,397 0.692,398 0.685,399 1.028,400 0.443,401 0.831,402 0.829,403 0.838,404 0.897,405 1.124,406 0.709,407 0.873,408 1.235,409 1.155,410 1.211,411 1.41,412 1.219,413 1.058,414 0.907,415 0.782,416 0.774,417 0.755,418 0.925,419 0.927,420 0.86,421 0.827,422 0.818,423 0.852,424 0.828,425 0.882,426 0.805,427 0.927,428 0.737,429 0.866,430 0.757,431 0.957,432 1.211,433 1.282,434 0.922,435 1.241,436 1.274,437 0.998,438 12.5,439 0.421,440 5.333,441 3.375,442 2.902,443 1.965,444 0.998,445 0.809,446 0.851,447 0.758,448 16261,449 87456,450 1.84,451 32.1,453 7,454 2,455 1,456 1,458 6,459 1.779,460 1.643,461 3.559,462 -0.135,466 117.608,467 2.219,468 4.119,469 4.751,470 4.954,471 4.954,472 4.954,473 3.027,474 4.517,475 5.142,476 3.796,477 2391.56,478 9.068,479 38340.7,484 303.58,485 1.84,486 5.02,487 0.338,488 0.009,489 0.097,490 0.059,491 0.049,492 0.033,493 0.02,494 0.016,495 0.016,496 0.014,497 0.65,498 0.33,499 0.75,500 1.83,501 195.828,502 -0.112,503 -0.143,504 0.094,505 -0.199,506 -0.108,507 -0.052,508 0.357,509 0.297,510 0.165,511 0.057,512 0.39,513 0.097,514 -0.031,515 -0.054,516 -0.009,517 0.024,518 -0.008,519 0.12,520 -0.302,521 -0.218,522 -0.275,523 -0.221,524 -0.257,525 -0.115,526 0.084,527 0.107,528 0.081,529 0.039,530 0.071,531 -0.036,532 0.056,533 0.021,534 0.1,535 0.09,536 0.058,537 0.172,538 0.009,539 -0.134,540 0.081,541 0.018,542 0.083,543 0.055,544 -0.244,545 -0.235,546 0.017,547 -0.142,548 -0.267,549 0.024,550 6.392,551 5.434,552 0.333,553 39.444,554 1.082,555 1.17,556 2.862,557 8.189,558 0.666,559 3.638,560 4.025,561 4.159,562 4.357,563 4.575,564 4.564,565 4.654,566 4.635,567 4.796,568 4.883,569 7.659,570 0.683,571 563.81,572 3.638,573 5.22,574 6.043,575 6.948,576 7.799,577 8.7,578 9.564,579 10.46,580 11.331,581 12.225,582 5.7,586 1,588 2,589 4,590 2,593 6,594 12,596 1,598 1,604 1,605 53,606 15,607 1,608 37,609 54,610 19,611 10,612 3,613 3,614 2,615 2,616 2,617 1,618 4,620 2,622 12,623 7,624 3,625 3,626 2,627 1,630 6,631 17,632 15,633 1,634 17,635 2,637 3,638 6,639 1,640 1,641 1,643 2,644 2,646 2,647 1,648 6,649 36,652 3,653 1,654 3,657 2,659 7,660 11.3,662 3,663 2,664 1,665 21.917,666 10.183,667 7.792,668 3.062,669 1,670 2.369,671 1.321,672 0.931,673 9.78,674 9.752,675 3.85,676 4.431,677 4.868,678 5.355,679 5.867,680 6.019,681 6.282,682 6.336,683 6.686,684 6.964,685 1,686 57,687 15.877,688 9.106,689 8.979,690 22.931,691 18.014,692 3.479,693 125.25,695 203.006,696 111.203,697 51.582,698 39.149,699 95.396,700 89.761,701 14.668,702 111.203,703 322.882,704 141.342,705 17.65,706 28.959,707 43.097,708 141.634,709 124.878,710 65.334,711 153.024,712 15.519,713 188.338,714 162.785,715 185.157,716 53.817,717 117.711,718 241.94,719 13.843,720 76.575,721 52.638,722 48.239,723 39.149,724 278.098,725 146.978,726 150.351,727 14.668,728 14.668,729 203.857,730 40.557,731 55.127,732 18.011,733 257.877,734 188.338,735 236.739,736 165.019,737 0.598,738 0.324,739 0.163,740 0.094,741 23,742 14,743 0.185,744 10,745 4.212,746 330.765,747 12,748 170.608,750 29.864,751 11.79,752 8.34,753 236.739,754 1.905,755 6.237,758 -6.587,759 18.011,760 590.096,761 46,762 37.236,763 -2.933,764 -3.904,765 57.363,766 62.024,767 0.387,768 0.719,769 0.829,770 0.865,771 0.865,772 0.865,773 5.147,774 1.586,775 6.146,776 6.079,777 4.71,778 5.118,779 3.882,780 7.054,781 4.541,782 6.418,783 1.297,784 7.792,785 4.653,786 4.796,787 5.278,788 4.586,789 8.494,790 4.497,791 7.787,792 1.285,793 9.554,794 3.826,795 6.515,796 7.323,797 6.151,798 11.435,799 6.205,800 9.189,801 1.247,802 11.382,803 3.507,804 7.3,805 8.154,806 7.382,807 13.567,808 6.876,809 10.617,810 1.102,811 13.249,812 2.829,813 8.65,814 9.818,815 8.758,816 16.177,817 8.193,818 12.062,819 1.012,820 15.142,821 2.2,822 9.689,823 10.925,824 10.082,825 18.536,826 9.139,827 13.521,828 0.4,829 17.053,830 1.778,831 10.928,832 12.445,833 11.429,834 21.058,835 10.328,836 3.406,837 -0.066,838 18.976,839 0.832,840 12.064,841 13.685,842 12.767,843 23.499,844 11.383,845 3.336,846 12.427,847 20.908,848 -0.176,849 13.271,850 15.141,851 14.11,852 25.996,853 12.53,854 3.263,855 11.763,856 22.848,857 4.137,858 14.445,859 16.451,860 15.451,861 28.467,862 13.63,863 2.813,864 11.739,865 24.793,866 4.022,867 15.646,868 17.878,869 16.793,870 30.96,871 14.767,872 2.673,873 8.862,874 26.742,875 3.842,876 16.836,877 19.226,878 18.134,879 33.443,880 15.887,881 2.351,882 8.553,883 28.695,884 3.337,885 18.037,886 20.639,887 19.476,888 35.936,889 17.023,890 2.156,891 6.864,892 30.651,893 3.109,894 19.236,895 22.009,896 20.818,897 38.426,898 18.153,899 16828,900 39349,901 21.959,902 35.284,903 56.757,904 57.705,905 59.187,906 56.206,907 55.858,908 68.236,909 20.766,910 171.824,911 50.75,912 5.523,913 6.473,914 7.017,915 5.362,916 5.406,917 7.137,918 5.5,919 20.135,920 5.208,921 28.084,922 1.534,923 1.56,924 1.6,925 1.519,926 1.51,927 1.844,928 0.561,929 4.644,930 1.372,931 4.002,932 4.024,933 4.453,934 3.957,935 8.517,936 3.91,937 3.882,938 3.91,939 4.022,940 3.876,941 8.509,942 3.76,943 3.781,944 3.784,945 3.921,946 3.733,947 7.999,948 3.621,949 3.441,950 3.52,951 3.561,952 3.235,953 7.999,954 3.219,955 3.43,956 3.462,957 3.433,958 3.2,959 7.999,960 3.204,961 3.384,962 3.428,963 3.367,964 3.103,965 7.999,966 3.144,967 3.286,968 3.335,969 3.225,970 3.083,971 7.434,972 3.074,973 3.253,974 3.294,975 3.178,976 2.918,977 7.428,978 2.991,979 0.124,980 0.121,981 0.197,982 0.116,983 0.092,984 4.601,985 0.112,986 4.473,987 0.103,988 7.285,989 0.336,990 4.291,991 0.087,992 3.406,993 4.137,994 12.427,995 3.208,996 1.927,997 1.909,998 1.996,999 2.043,1000 1.13,1001 2.025,1002 1.781,1003 1.755,1004 1.809,1005 1.95,1006 1.05,1007 1.913,1008 1.655,1009 1.644,1010 1.803,1011 1.801,1012 0.93,1013 1.866,1014 1.447,1015 1.368,1016 1.787,1017 1.692,1018 0.871,1019 1.727,1020 1.351,1021 1.293,1022 1.463,1023 1.585,1024 0.852,1025 1.603,1026 1.18,1027 1.144,1028 1.265,1029 1.516,1030 0.293,1031 1.428,1032 1.142,1033 1.125,1034 1.193,1035 1.399,1036 0.262,1037 1.345,1038 0.986,1039 0.947,1040 1.02,1041 1.35,1042 0.123,1043 1.272,1044 4.317,1045 5.687,1047 7.228,1049 8.847,1051 10.509,1052 2.955,1053 5.347,1054 79.818,1057 -1.089,1058 1.837,1059 14.597,1062 -10.167,1063 36.199,1064 117.608,1065 218.296,1066 251.805,1067 262.56,1068 262.56,1069 262.56,1070 202.427,1071 7.383,1072 116.71,1073 126.52,1074 12,1075 12.756,1076 4,1077 3.322,1078 92.816,1079 164,1080 166,1081 0.273,1082 228.63,1083 426.82,1084 549.618,1085 15195,1086 13.2,1087 27.311,1088 0.759,1089 0.556,1090 23.061,1091 20.018,1092 16.592,1093 0.448,1094 0.321,1095 9.626,1096 14.2,1097 9.351,1098 7.639,1099 15.238,1100 11.885,1101 16.99,1102 0.309,1103 0.163,1104 14.726,1105 8.992,1106 11.495,1107 0.182,1108 0.095,1109 11.216,1110 5.962,1111 9.024,1112 0.117,1113 0.053,1114 9.437,1115 4.068,1116 7.367,1117 0.077,1118 0.024,1119 6.313,1120 2.309,1121 0.427,1122 119.788,1123 0.213,1124 32.702,1125 0.753,1126 184,1127 1134.52,1128 293.784,1129 938.824,1130 1171.21,1131 860,1132 210,1133 732.475,1134 306.345,1135 729.546,1136 1114.11,1137 679,1138 5.523}
{0 CHEMBL423153,1 2.015,2 12.97,3 6.101,4 37.223,5 107.654,6 9.762,7 0.353,8 4.049,9 4.145,10 3.791,11 3.509,12 5.352,13 3.557,14 4.637,15 4.781,16 4.308,17 3.843,18 6.597,19 3.894,20 4.79,21 4.979,22 4.257,23 3.962,24 6.231,25 3.983,26 4.894,27 5.083,28 4.317,29 3.905,30 6.402,31 3.979,32 4.849,33 5.01,34 4.498,35 3.829,36 6.755,37 3.938,38 4.776,39 4.944,40 4.222,41 3.792,42 6.544,43 3.855,44 4.675,45 4.833,46 4.18,47 3.797,48 6.449,49 3.855,50 4.718,51 4.892,52 4.18,53 3.789,54 6.268,55 3.866,56 0.505,57 1.143,58 5.223,59 4.906,60 89.216,61 4.599,62 1.853,63 2.26,64 17.417,65 7.973,66 306.395,67 8.198,68 1.416,69 1.762,70 23.091,71 9.573,72 188.912,73 11.251,74 1.957,75 1.946,76 30.085,77 10.204,78 297.515,79 10.325,80 2.172,81 1.751,82 28.394,83 8.843,84 302.972,85 8.801,86 2.221,87 1.48,88 26.491,89 8.826,90 337.852,91 8.654,92 1.617,93 1.706,94 20.313,95 8.195,96 265.519,97 8.337,98 1.671,99 1.942,100 20.837,101 8.952,102 272.303,103 7.782,104 116,105 49,106 0.341,107 0.654,108 0.784,109 0.866,110 0.88,111 0.88,112 3.532,113 0.883,114 -5.41,115 -5.29,116 -4.94,117 39.2,118 1,119 4,121 1,124 2,125 3,126 3,127 1,128 1,131 1,134 2,139 8,140 2,141 8,143 1,144 3,145 7,148 5,150 2,151 4,153 2,154 6,155 2,156 1,157 5,160 6,161 2,165 5,168 8,172 1,174 5,175 2,176 7,179 1,180 5,183 3,185 1,186 7,188 4,189 1,192 1,193 7,194 2133,195 20.728,196 20.728,197 20.728,198 20.728,199 20.728,200 19.149,201 22.373,202 12.229,203 21.66,204 16.757,205 16.757,206 16.757,207 16.757,208 16.757,209 14.109,210 26.515,211 5.829,212 18.433,213 3.657,214 1.811,215 1.04,216 0.554,217 0.476,218 0.476,219 4.189,221 1,224 1,225 860,226 5.292,228 250.61,229 2.092,230 89.916,232 0.75,233 0.83,234 0.83,235 1,236 1,237 1,238 1,239 0.92,240 79.833,241 428,242 4.601,243 4.473,244 7.285,245 4.291,246 3.406,247 4.137,248 12.427,249 3.083,250 4.501,251 4.461,252 7.124,253 4.209,254 3.336,255 4.021,256 3.825,257 11.741,258 2.988,259 4.085,260 3.661,261 6.105,262 3.769,263 2.82,264 3.34,265 1.674,266 8.865,267 2.604,268 3.916,269 3.569,270 6.038,271 3.615,272 2.677,273 3.111,274 1.058,275 8.556,276 2.446,277 3.695,278 2.922,279 5.342,280 3.246,281 2.356,282 3.032,283 6.867,284 2.114,285 3.526,286 2.624,287 5.06,288 3.046,289 2.165,290 2.808,291 6.08,292 1.804,293 2.962,294 2.165,295 4.6,296 2.807,297 1.825,298 2.052,299 4.666,300 1.775,301 2.815,302 2.02,303 4.41,304 2.514,305 1.584,306 1.834,307 3.831,308 1.435,309 2.737,310 1.889,311 4.147,312 2.31,313 1.368,314 1.753,315 3.791,316 1.264,317 2.635,318 1.612,319 3.847,320 2.236,321 1.297,322 1.636,323 3.217,324 1.167,325 2.571,326 1.576,327 3.728,328 2.041,329 1.104,330 1.592,331 2.829,332 1.027,333 2.243,334 1.29,335 3.166,336 2.021,337 1.034,338 1.188,339 2.079,340 1.001,341 1.561,342 0.874,343 2.963,344 1.42,345 0.443,346 0.476,347 0.756,348 0.427,349 1.202,350 0.564,351 2.841,352 0.841,353 -0.066,354 -0.079,355 -0.176,356 -0.052,357 1.153,358 0.51,359 2.699,360 0.678,361 -0.294,362 -0.313,364 -0.5,365 -0.269,366 14.629,367 0.443,368 1.262,369 0.038,370 36.75,371 1.114,372 15.5,373 0.47,374 21.25,375 0.644,376 31.908,377 0.967,378 39.371,379 0.772,380 37.906,381 1.149,382 7.364,383 0.223,384 7.96,385 0.241,386 0.246,387 0.068,388 0.273,389 6,390 0.623,391 1.035,392 0.538,393 1.129,394 0.623,395 0.977,396 0.418,397 0.705,398 0.546,399 0.978,400 0.372,401 0.962,402 0.592,403 0.82,404 0.556,405 1.004,406 0.534,407 0.935,408 1.035,409 1.01,410 0.801,411 0.939,412 1.009,413 0.84,414 0.79,415 0.839,416 0.679,417 0.968,418 0.887,419 0.862,420 0.925,421 0.876,422 0.799,423 0.851,424 0.949,425 0.882,426 0.754,427 0.985,428 0.728,429 0.971,430 0.679,431 0.932,432 1.276,433 1.369,434 0.927,435 1.126,436 1.281,437 1.033,438 10,439 0.301,440 4.222,441 2.875,442 2.582,443 1.632,444 0.876,445 0.708,446 0.625,447 0.612,448 13230,449 62126,450 1.865,451 35.3,452 9,453 5,455 1,456 1,458 2,459 1.757,460 1.678,461 3.564,462 -0.202,466 102.777,467 2.015,468 3.861,469 4.633,470 5.118,471 5.197,472 5.197,473 3.095,474 4.612,475 5.009,476 3.785,477 1998.48,478 8.805,479 30164.3,484 289.294,485 1.792,486 4.91,487 0.294,488 0.008,489 0.086,490 0.058,491 0.051,492 0.031,493 0.02,494 0.016,495 0.014,496 0.014,497 0.591,498 0.17,499 0.88,500 1.906,501 175.296,502 -0.044,503 -0.094,504 0.003,505 -0.072,506 -0.07,507 -0.023,508 0.432,509 0.301,510 0.209,511 0.022,512 0.442,513 -0.01,514 0.072,515 -0.087,516 0.238,517 -0.048,518 0.089,519 0.123,520 -0.143,521 -0.185,522 0.11,523 -0.002,524 -0.124,525 0.162,526 0.224,527 0.106,528 0.273,529 -0.029,530 0.136,531 0.058,532 0.068,533 0.02,534 0.075,535 0.103,536 0.03,537 0.093,538 0.077,539 -0.142,540 0.075,541 -0.015,542 0.157,543 0.044,544 -0.268,545 -0.253,546 -0.089,547 -0.123,548 -0.244,549 -0.069,550 6.334,551 5.376,552 0.364,553 36.738,554 1.067,555 1.17,556 4.177,557 17.447,558 0.652,559 3.555,560 3.912,561 4.043,562 4.248,563 4.5,564 4.489,565 4.585,566 4.533,567 4.654,568 4.718,569 7.454,570 0.669,571 497.86,572 3.555,573 5.118,574 5.932,575 6.823,576 7.672,577 8.564,578 9.429,579 10.321,580 11.195,581 12.087,582 5.9,586 1,588 2,589 4,590 2,593 6,594 12,596 1,598 1,604 1,605 51,606 14,607 1,608 34,609 52,610 20,611 10,612 3,613 3,614 2,615 2,616 2,617 1,618 3,620 2,621 4,622 12,623 8,624 2,625 2,626 2,630 6,631 18,632 12,633 1,634 13,635 1,637 3,638 3,641 1,643 2,644 2,646 1,647 1,648 6,649 33,652 5,653 1,654 1,657 2,659 7,660 5.9,662 2,664 1,665 19.667,666 9.483,667 7.167,668 3.196,670 2.342,671 1.324,672 0.93,673 8.966,674 9.568,675 3.761,676 4.317,677 4.787,678 5.302,679 5.832,680 5.987,681 6.247,682 6.266,683 6.594,684 6.842,685 0.889,686 50,687 14.184,688 7.824,689 8.877,690 21.296,691 16.709,692 3.377,693 111.444,695 200.109,696 106.16,697 51.582,698 39.149,699 61.29,700 89.761,702 106.16,703 300.547,704 141.342,705 8.825,706 32.741,707 28.429,708 107.528,709 124.878,710 41.792,711 188.338,712 15.519,713 200.109,714 157.742,715 151.05,716 39.149,717 176.567,718 174.593,720 71.533,721 52.638,722 33.571,723 39.149,724 289.869,725 112.872,726 145.309,729 215.628,730 44.34,731 46.301,732 18.011,733 223.77,734 200.109,735 202.632,736 145.309,737 0.592,738 0.313,739 0.153,740 0.095,741 20,742 12,743 0.173,744 9,745 4.105,746 288.403,747 12,748 156.955,750 26.731,751 11.069,752 7.784,753 202.632,754 2.356,755 6.292,758 -5.915,759 18.011,760 548.05,761 42,762 24.578,763 -2.517,765 54.407,766 59.673,767 0.355,768 0.681,769 0.817,770 0.902,771 0.916,772 0.916,773 5.037,774 1.584,775 6.004,776 4.666,777 4.595,778 5.004,779 3.882,780 6.876,781 4.423,782 6.279,783 1.368,784 7.622,785 3.831,786 4.575,787 5.037,788 4.586,789 8.199,790 4.186,791 7.621,792 1.297,793 9.36,794 3.791,795 6.333,796 7.161,797 6.151,798 11.179,799 5.979,800 8.996,801 1.104,802 11.169,803 3.217,804 7.048,805 7.9,806 7.382,807 13.247,808 6.487,809 10.401,810 1.034,811 13.021,812 2.829,813 8.416,814 9.623,815 8.758,816 15.882,817 7.848,818 11.826,819 0.443,820 14.903,821 2.079,822 9.422,823 10.678,824 10.082,825 18.217,826 8.684,827 13.268,828 -0.066,829 16.806,830 0.756,831 10.669,832 12.237,833 11.429,834 20.753,835 9.88,836 3.406,837 -0.294,838 18.725,839 -0.176,840 11.793,841 13.453,842 12.767,843 23.187,844 10.863,845 3.336,846 12.427,847 20.655,848 -0.5,849 13.004,850 14.935,851 14.11,852 25.695,853 11.996,854 2.82,855 11.741,856 22.594,857 4.137,858 14.176,859 16.236,860 15.451,861 28.169,862 13.046,863 2.677,864 8.865,865 24.54,866 4.021,867 15.381,868 17.681,869 16.793,870 30.671,871 14.158,872 2.356,873 8.556,874 26.492,875 3.34,876 16.574,877 19.03,878 18.134,879 33.161,880 15.238,881 2.165,882 6.867,883 28.449,884 3.111,885 17.78,886 20.456,887 19.476,888 35.662,889 16.345,890 1.825,891 6.08,892 30.408,893 3.032,894 18.983,895 21.831,896 20.818,897 38.16,898 17.44,899 13682,900 30173,901 20.572,902 33.239,903 51.576,904 51.512,905 52.687,906 51.341,907 50.829,908 61.963,909 20.766,910 151.411,911 46.27,912 5.523,913 6.473,914 7.237,915 5.361,916 5.406,917 7.137,918 5.5,919 20.135,920 5.083,921 24.2,922 1.517,923 1.515,924 1.55,925 1.51,926 1.495,927 1.822,928 0.611,929 4.453,930 1.361,931 4,932 4.024,933 4.025,934 3.899,935 8.517,936 3.909,937 3.881,938 3.91,939 3.926,940 3.733,941 8.509,942 3.76,943 3.745,944 3.809,945 3.586,946 3.611,947 7.999,948 3.593,949 3.493,950 3.541,951 3.561,952 3.279,953 7.999,954 3.283,955 3.392,956 3.436,957 3.435,958 3.097,959 7.999,960 3.15,961 3.315,962 3.354,963 3.375,964 3.078,965 7.999,966 3.109,967 3.269,968 3.315,969 3.223,970 2.918,971 7.434,972 2.991,973 3.079,974 3.121,975 3.067,976 2.816,977 7.428,978 2.852,979 0.135,980 0.132,981 0.214,982 0.126,983 0.1,984 4.601,985 0.122,986 4.473,987 0.113,988 7.285,989 0.365,990 4.291,991 0.091,992 3.406,993 4.137,994 12.427,995 3.083,996 1.927,997 1.909,998 2.022,999 2.044,1000 1.346,1001 2.027,1002 1.781,1003 1.755,1004 1.992,1005 1.954,1006 1.128,1007 1.958,1008 1.753,1009 1.691,1010 1.804,1011 1.919,1012 1.012,1013 1.91,1014 1.46,1015 1.395,1016 1.769,1017 1.694,1018 0.871,1019 1.716,1020 1.183,1021 1.163,1022 1.424,1023 1.517,1024 0.604,1025 1.432,1026 1.18,1027 1.143,1028 1.268,1029 1.469,1030 0.294,1031 1.421,1032 0.988,1033 0.947,1034 1.218,1035 1.388,1036 0.273,1037 1.284,1038 0.983,1039 0.909,1040 1.042,1041 1.276,1042 0.213,1043 1.267,1044 4.234,1045 5.58,1047 7.098,1049 8.701,1051 10.356,1052 1.971,1053 5.354,1054 79.363,1057 3.079,1058 1.912,1059 4.962,1062 -9.989,1063 34.131,1064 102.777,1065 196.923,1066 236.274,1067 261.029,1068 265.029,1069 265.029,1070 167.997,1071 7.225,1072 81.18,1073 81.18,1074 12,1075 12.618,1076 3.907,1077 3.17,1078 80.554,1079 143,1080 200,1081 0.269,1082 212.305,1083 397.92,1084 509.784,1085 12587,1086 13.7,1087 24.811,1088 0.752,1089 0.541,1090 20.311,1091 17.866,1092 15.324,1093 0.451,1094 0.294,1095 9.4,1096 13.996,1097 9.293,1098 7.661,1099 13.19,1100 10.009,1101 15.344,1102 0.313,1103 0.147,1104 11.799,1105 7.185,1106 10.348,1107 0.185,1108 0.079,1109 8.841,1110 4.44,1111 7.936,1112 0.115,1113 0.041,1114 7.269,1115 2.833,1116 6.853,1117 0.077,1118 0.021,1119 5.143,1120 1.847,1121 0.423,1122 102.951,1123 0.22,1124 30.666,1125 0.74,1126 166,1127 985.7,1128 230.819,1129 802.562,1130 994.96,1131 734,1132 188,1133 638.125,1134 232.306,1135 611.661,1136 934.99,1137 569,1138 6.18}
{0 CHEMBL424086,1 2.082,2 7.9,3 3.062,4 9.378,5 67.078,6 11.173,7 0.571,8 3.455,9 3.542,10 3.319,11 2.992,12 4.844,13 3.048,14 3.954,15 4.064,16 3.819,17 3.291,18 5.977,19 3.362,20 4.065,21 4.214,22 3.742,23 3.357,24 5.641,25 3.397,26 4.099,27 4.256,28 3.767,29 3.217,30 5.763,31 3.314,32 4.096,33 4.242,34 3.959,35 3.049,36 6.31,37 3.204,38 3.674,39 3.806,40 3.353,41 2.94,42 5.302,43 2.99,44 3.656,45 3.817,46 3.244,47 2.888,48 5.234,49 2.933,50 3.652,51 3.85,52 3.158,53 2.658,54 5.338,55 2.733,56 0.285,57 0.629,58 1.006,59 2.155,60 44.486,61 1.663,62 0.85,63 1.233,64 3.673,65 3.503,66 136.566,67 2.694,68 0.663,69 0.933,70 5.692,71 4.109,72 86.308,73 3.947,74 0.789,75 1.006,76 9.014,77 4.439,78 112.524,79 3.981,80 1.244,81 0.805,82 12.902,83 4.099,84 186.843,85 2.966,86 0.576,87 0.622,88 5.199,89 2.985,90 90.89,91 2.291,92 0.475,93 0.712,94 5.321,95 2.884,96 60.041,97 2.467,98 0.684,99 0.686,100 6.555,101 3.064,102 99.588,103 2.165,104 27,105 30,106 0.406,107 0.682,108 0.76,109 0.815,110 0.835,111 0.835,112 3.058,113 0.817,114 -4.05,115 -4,116 -3.78,117 44.4,124 1,125 5,126 1,127 1,128 1,131 1,134 1,139 4,140 1,141 5,143 1,144 3,145 4,150 2,151 2,153 2,154 2,155 2,156 1,157 3,160 2,165 2,168 6,172 1,174 1,176 4,183 2,186 2,193 2,194 500,195 12.748,196 12.748,197 12.748,198 12.748,199 12.748,200 11.167,201 13.576,202 7.5,203 13.314,204 10.372,205 10.372,206 10.372,207 10.372,208 10.372,209 8.006,210 17.182,211 3.592,212 11.42,213 2.673,214 1.255,215 0.856,216 0.574,217 0.472,218 0.472,219 3.707,221 1,223 1,224 1,225 323,226 3.464,228 137.443,229 1.13,230 41.924,232 1,233 1,234 1,235 0.4,237 1,238 1,239 0.77,240 47.333,241 158,242 4.599,243 4.473,244 7.285,245 4.29,246 3.406,247 4.133,248 12.427,249 3.076,250 3.997,251 3.571,252 6.082,253 3.676,254 2.738,255 3.469,256 1.058,257 8.665,258 2.532,259 3.801,260 2.922,261 5.367,262 3.383,263 2.452,264 3.047,266 7.003,267 2.275,268 3.613,269 2.545,270 5.056,271 3.074,272 2.219,273 2.978,275 6.076,276 1.803,277 2.954,278 2.155,279 4.47,280 2.502,281 1.543,282 2.118,283 4.03,284 1.457,285 2.727,286 1.519,287 3.888,288 2.216,289 1.263,290 1.744,291 3.107,292 1.157,293 2.571,294 1.29,295 3.531,296 2.022,297 1.096,298 1.591,299 2.695,300 1.001,301 2.5,302 1,303 3.247,304 2,305 1,306 1.5,307 2.136,308 1,309 1.199,310 0.558,311 2.916,312 0.839,313 -0.066,314 -0.079,315 -0.166,316 -0.052,317 1.151,318 0.51,319 2.578,320 0.605,321 -0.324,322 -0.444,323 -0.737,324 -0.276,325 0.642,326 0.51,327 2.331,328 0.137,329 -0.759,330 -0.969,331 -2.252,332 -0.64,333 0.5,334 0.35,335 2,336 0.017,337 -1,338 -1,339 -2.347,340 -0.7,341 0.479,342 -0.278,343 2,345 -1,346 -1,347 -2.361,348 -0.7,349 0.05,350 -0.621,351 1.943,352 -0.3,353 -1,354 -1.397,355 -3,356 -0.915,358 -0.941,359 1.613,360 -0.3,361 -1,362 -1.5,364 -3,365 -1,366 9.105,367 0.455,368 0.71,369 0.035,370 27.25,371 1.363,372 14,373 0.7,374 13.25,375 0.663,376 12.591,377 0.63,378 22.095,379 0.818,380 21.1,381 1.055,382 5.736,383 0.287,384 3.64,385 0.182,386 0.209,387 0.055,388 0.275,389 3,390 0.635,391 0.976,392 0.488,393 0.886,394 0.642,395 0.785,396 0.405,397 0.737,398 0.543,399 0.952,400 0.423,401 0.964,402 0.619,403 0.802,404 0.628,405 0.97,406 0.645,407 1.03,408 0.986,409 1.115,410 0.829,411 1.084,412 1.013,413 0.974,414 0.89,415 0.764,416 0.779,417 0.791,418 1.094,419 0.703,420 1.007,421 0.962,422 0.898,423 1.047,424 1.093,425 1.081,426 0.968,427 1.192,428 0.994,429 1.155,430 0.831,431 1.16,432 1.757,433 1.491,434 1.273,435 0.96,436 1.622,437 1.041,438 5.5,439 0.012,440 2.444,441 1.75,442 1.582,443 0.736,444 0.326,445 0.259,446 0.172,447 0.077,448 3277,449 16234,450 1.927,451 25.9,453 5,455 1,456 1,459 1.622,460 1.752,461 2.959,462 -0.124,465 1,466 56.201,467 2.082,468 3.5,469 3.899,470 4.18,471 4.282,472 4.282,473 2.39,474 3.646,475 4.295,476 3.088,477 586.797,478 7.359,479 5961.04,481 1,483 1,484 128.382,485 1.734,486 4.207,487 0.262,488 0.012,489 0.081,490 0.06,491 0.057,492 0.027,493 0.018,494 0.015,495 0.013,496 0.013,497 0.559,498 0.67,499 1,500 0.932,501 87.512,502 -0.067,503 -0.117,504 -0.009,505 -0.044,506 -0.107,507 -0.003,508 0.446,509 0.291,510 0.099,511 -0.068,512 0.411,513 -0.175,514 0.074,515 -0.04,516 0.112,517 -0.094,518 0.035,519 -0.056,520 -0.099,521 -0.293,522 0.092,523 -0.168,524 -0.099,525 0.022,526 0.43,527 0.352,528 0.331,529 0.205,530 0.305,531 0.205,532 -0.13,533 -0.084,534 -0.048,535 -0.096,536 -0.187,537 -0.116,538 -0.166,539 -0.324,540 -0.106,541 -0.228,542 -0.066,543 -0.15,544 -0.496,545 -0.253,546 -0.195,547 0.086,548 -0.371,549 0.017,550 6.046,551 4.859,552 0.6,553 13.2,554 1.075,555 1.16,556 2.817,557 7.936,558 0.711,559 3.091,560 3.434,561 3.584,562 3.807,563 4.007,564 3.807,565 3.807,566 3.689,567 3.689,568 3.526,569 4.825,570 0.736,571 301.67,572 3.091,573 4.635,574 5.451,575 6.337,576 7.182,577 8.067,578 8.924,579 9.808,580 10.673,581 11.556,582 11.1,586 1,588 2,589 6,590 2,593 4,594 12,596 1,604 1,605 27,606 13,607 1,608 21,609 28,610 12,611 10,612 1,613 5,614 1,615 2,616 2,617 1,618 1,620 1,622 11,623 1,624 1,625 1,626 1,629 1,630 3,631 7,632 7,633 1,634 8,635 1,637 3,638 1,641 1,643 2,644 2,647 1,648 3,649 20,653 1,657 1,659 4,660 3.7,662 1,665 11.417,666 4.888,667 4.306,668 1.408,670 2.214,671 1.359,672 0.967,673 4.028,674 8.388,675 3.367,676 3.951,677 4.443,678 4.966,679 5.461,680 5.398,681 5.554,682 5.633,683 5.942,684 6.073,685 1,686 29,687 8.026,688 4.087,689 8.76,690 12.729,691 9.889,692 3.26,693 65.194,695 70.627,696 80.235,697 51.582,698 39.149,699 25.145,700 44.88,702 80.235,703 134.92,704 96.462,706 18.011,707 47.381,708 75.192,709 62.627,710 41.792,711 58.856,712 7.76,713 70.627,714 131.817,715 70.025,716 39.149,717 70.627,718 70.025,720 40.217,721 58.028,722 33.571,723 39.149,724 115.507,725 76.727,726 119.383,729 78.386,730 16.047,731 56.429,732 18.011,733 142.745,734 70.627,735 121.607,736 119.383,737 0.592,738 0.32,739 0.168,740 0.102,741 14,742 7,743 0.071,744 2,745 3.088,746 145.02,747 12,748 77.684,750 14.448,751 5.575,752 3.544,753 121.607,754 8.819,755 6.485,758 -2.272,759 18.011,760 311.617,761 28,762 11.859,763 -0.958,765 29.029,766 31.328,767 0.438,768 0.736,769 0.82,770 0.879,771 0.901,772 0.901,773 4.605,774 1,775 5.501,776 2.695,777 4.111,778 4.635,779 3.139,780 6.354,781 3.94,782 5.845,783 -0.066,784 7.101,785 2.136,786 4.007,787 4.511,788 3.903,789 7.618,790 3.614,791 7.171,792 -0.324,793 8.821,794 -0.166,795 5.808,796 6.796,797 5.431,798 10.626,799 5.461,800 8.533,801 -0.759,802 10.614,803 -0.737,804 6.463,805 7.386,806 6.69,807 12.685,808 5.907,809 9.923,810 -1,811 12.455,812 -2.252,813 7.856,814 9.232,815 8.059,816 15.344,817 7.306,818 11.336,819 -1,820 14.33,821 -2.347,822 8.83,823 10.175,824 9.388,825 17.692,826 8.108,827 12.766,828 -1,829 16.229,830 -2.361,831 10.089,832 11.814,833 10.734,834 20.253,835 9.326,836 3.406,837 -1,838 18.147,839 -3,840 11.2,841 12.956,842 12.074,843 22.708,844 10.296,845 2.738,846 12.427,847 20.08,848 -3,849 12.42,850 14.488,851 13.416,852 25.239,853 11.443,854 2.452,855 8.665,856 22.023,857 4.133,858 13.591,859 15.745,860 14.758,861 27.733,862 12.491,863 2.219,864 7.003,865 23.975,866 3.469,867 14.803,868 17.22,869 16.1,870 30.256,871 13.614,872 1.543,873 6.076,874 25.933,875 3.047,876 16.001,877 18.545,878 17.441,879 32.766,880 14.698,881 1.263,882 4.03,883 27.897,884 2.978,885 17.215,886 19.991,887 18.783,888 35.286,889 15.815,890 1.096,891 3.107,892 29.865,893 2.118,894 18.426,895 21.355,896 20.124,897 37.802,898 16.917,899 3382,900 7709,901 13.118,902 19.188,903 32.19,904 31.661,905 32.257,906 31.773,907 31.434,908 41.159,909 9.767,910 92.276,911 28.604,912 5.438,913 6.473,914 7.087,915 5.36,916 5.406,917 7.133,918 5.335,919 20.133,920 5.076,921 11.609,922 1.533,923 1.508,924 1.536,925 1.513,926 1.497,927 1.96,928 0.465,929 4.394,930 1.362,931 3.956,932 3.989,933 4.015,934 3.844,935 8.513,936 3.85,937 3.845,938 3.88,939 3.821,940 3.722,941 7.999,942 3.741,943 3.322,944 3.362,945 3.548,946 3.036,947 7.999,948 3.081,949 3.257,950 3.302,951 3.329,952 2.915,953 7.429,954 2.991,955 2.854,956 2.925,957 2.943,958 2.735,959 5.099,960 2.715,961 2.824,962 2.865,963 2.687,964 2.696,965 4.768,966 2.694,967 2.575,968 2.632,969 2.617,970 2.348,971 4.286,972 2.364,973 2.264,974 2.331,975 2.35,976 1.899,977 3.911,978 1.983,979 0.219,980 0.213,981 0.347,982 0.204,983 0.162,984 4.599,985 0.197,986 4.473,987 0.182,988 7.285,989 0.592,990 4.29,991 0.146,992 3.406,993 4.133,994 12.427,995 3.076,996 1.896,997 1.866,998 2.013,999 2.02,1000 1.065,1001 2.011,1002 1.775,1003 1.747,1004 1.804,1005 1.929,1006 0.868,1007 1.905,1008 1.137,1009 1.097,1010 1.263,1011 1.459,1012 0.258,1013 1.39,1014 0.986,1015 0.946,1016 1.181,1017 1.373,1018 0.218,1019 1.27,1020 0.886,1021 0.821,1022 1.019,1023 1.062,1025 1.107,1026 0.775,1027 0.739,1028 0.912,1029 0.958,1031 0.96,1032 0.469,1033 0.418,1034 0.626,1035 0.749,1037 0.749,1038 0.051,1040 0.381,1041 0.465,1043 0.453,1044 3.761,1045 5.094,1047 6.613,1049 8.218,1051 9.87,1053 5.334,1054 38.396,1058 2.328,1062 -4.796,1063 19.864,1064 56.201,1065 94.508,1066 105.263,1067 112.872,1068 115.627,1069 115.627,1070 48.449,1071 6.174,1072 54.88,1073 54.88,1074 12,1075 12.094,1076 3.807,1077 3,1078 36.225,1079 56,1080 58,1081 0.319,1082 126.907,1083 226.37,1084 301.412,1085 3125,1086 14.8,1087 14.751,1088 0.738,1089 0.527,1090 12.751,1091 10.535,1092 9.376,1093 0.446,1094 0.272,1095 5.231,1096 8.544,1097 5.168,1098 4.245,1099 8.453,1100 5.716,1101 9.272,1102 0.309,1103 0.135,1104 7.685,1105 4.057,1106 6.439,1107 0.184,1108 0.071,1109 5.921,1110 2.486,1111 5.205,1112 0.118,1113 0.036,1114 4.927,1115 1.596,1116 4.416,1117 0.082,1118 0.019,1119 3.399,1120 1.037,1121 0.483,1122 63.53,1123 0.276,1124 19.65,1125 0.93,1126 102,1127 561.895,1128 143.935,1129 489.145,1130 613.64,1131 448,1132 116,1133 395.034,1134 144.514,1135 389.632,1136 587.95,1137 363,1138 5}