@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5493

@attribute molecule_id {CHEMBL2047159,CHEMBL207881,CHEMBL2315528,CHEMBL593120,CHEMBL593121,CHEMBL593203,CHEMBL593344,CHEMBL593351,CHEMBL593365,CHEMBL593433,CHEMBL593435,CHEMBL593436,CHEMBL593517,CHEMBL593607,CHEMBL593733,CHEMBL593826,CHEMBL593827,CHEMBL593839,CHEMBL594052,CHEMBL594074,CHEMBL594140,CHEMBL594278,CHEMBL594302,CHEMBL594505,CHEMBL594506,CHEMBL594507,CHEMBL594514,CHEMBL594524,CHEMBL594525,CHEMBL594528,CHEMBL594537,CHEMBL594671,CHEMBL594737,CHEMBL594738,CHEMBL594739,CHEMBL594740,CHEMBL594744,CHEMBL594745,CHEMBL594746,CHEMBL594758,CHEMBL594760,CHEMBL594761,CHEMBL594762,CHEMBL594770,CHEMBL594771,CHEMBL594838,CHEMBL594974,CHEMBL594998,CHEMBL595000,CHEMBL595001,CHEMBL595235,CHEMBL595715,CHEMBL596151,CHEMBL596152,CHEMBL596153,CHEMBL596154,CHEMBL596580,CHEMBL604059,CHEMBL606629,CHEMBL607315,CHEMBL607691,CHEMBL608129,CHEMBL608130,CHEMBL608384,CHEMBL608696,CHEMBL608697,CHEMBL608991,CHEMBL609291,CHEMBL609584,CHEMBL609586,CHEMBL609852,CHEMBL609861,CHEMBL609863,CHEMBL609870,CHEMBL610060,CHEMBL610333,CHEMBL610463,CHEMBL610740,CHEMBL610741,CHEMBL611338,CHEMBL611339,CHEMBL611340,CHEMBL611632,CHEMBL611647,CHEMBL611948}
@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 Br.095 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL 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_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL 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 CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr04 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 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.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.dm. 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.dm. 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 F.084 numeric
@attribute F.085 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.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.067 numeric
@attribute N.068 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute nAB numeric
@attribute nArCN numeric
@attribute nArCONH2 numeric
@attribute nArCONHR numeric
@attribute nArCOOH numeric
@attribute nArCOOR numeric
@attribute nArNHR numeric
@attribute nArNR2 numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBR 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 nCq numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NdCH2 numeric
@attribute NddssS numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC 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 nImidazoles numeric
@attribute nIsoxazoles numeric
@attribute nN numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHt numeric
@attribute nOxazoles numeric
@attribute nPyrazines numeric
@attribute nPyrazoles numeric
@attribute nPyridazines numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nR03 numeric
@attribute nR04 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR09 numeric
@attribute nR.C. numeric
@attribute nRCN numeric
@attribute nRCONH2 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOH numeric
@attribute nR.Cp numeric
@attribute nR.Cs numeric
@attribute nRNR2 numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nS numeric
@attribute NsBr numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nS..O.2 numeric
@attribute nSO2N numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nTB numeric
@attribute nThiazoles numeric
@attribute NtN numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 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 PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_0d numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_0d numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_1d numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute Psychotic.50 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_m_5 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_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.107 numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdCH2 numeric
@attribute SddssS numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsBr 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 SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.463,2 16.703,3 5.063,4 25.629,5 142.258,6 7.604,7 0.45,8 4.318,9 4.402,10 4.004,11 3.9,12 5.388,13 3.853,14 4.881,15 5.019,16 4.274,17 4.276,18 6.114,19 4.223,20 5.129,21 5.292,22 4.265,23 4.41,24 6.202,25 4.332,26 5.194,27 5.392,28 4.271,29 4.426,30 6.19,31 4.329,32 5.207,33 5.402,34 4.215,35 4.398,36 6.333,37 4.289,38 5.171,39 5.417,40 4.107,41 4.336,42 6.082,43 4.202,44 5.034,45 5.242,46 4.076,47 4.254,48 6.038,49 4.13,50 5.05,51 5.289,52 4.058,53 4.196,54 6.034,55 4.071,56 0.101,57 0.886,58 16.791,59 7.76,60 22.142,61 8.767,62 0.476,63 1.463,64 32.1,65 12.998,66 88.418,67 15.165,68 0.624,69 1.794,70 39.004,71 15.426,72 99.966,73 18.416,74 0.636,75 1.921,76 43.182,77 16.739,78 78.07,79 21.116,80 0.931,81 1.908,82 41.768,83 16.425,84 112.018,85 20.991,86 0.543,87 1.86,88 43.023,89 16.494,90 69.083,91 21.764,92 0.373,93 1.656,94 37.258,95 14.775,96 59.764,97 18.61,98 0.774,99 1.617,100 39.66,101 14.407,102 87.274,103 18.455,104 61,105 57,106 0.229,107 0.546,108 0.777,109 0.855,110 0.86,111 0.86,112 3.641,113 1.07,114 -4.69,115 -4.6,116 -4.33,118 42,119 2,120 2,121 1,123 1,124 4,131 9,132 6,133 3,142 1,151 1,153 1,154 17,155 1,156 1,157 10,159 1,161 1,162 23,163 1,166 10,170 1,171 21,172 1,174 1,175 8,176 1,179 1,181 22,182 1,184 3,185 5,186 1,188 1,190 17,191 2,194 8,197 2,198 14,201 12,202 1,207 10,210 1,211 7,212 1,215 13,218 1,219 8,221 18,222 1,224 2942,225 24.187,226 24.187,227 24.187,228 24.187,229 24.187,230 21.414,231 29.203,232 14.162,233 24.808,234 19.787,235 19.787,236 19.787,237 19.787,238 19.787,239 15.435,240 34.047,241 6.769,242 20.798,243 4.645,244 2.618,245 1.142,246 0.642,247 0.613,248 0.613,249 4.332,254 1309,255 4.583,258 101.068,259 376.708,260 175.266,261 2.884,262 46.056,265 0.75,266 0.67,267 0.67,268 0.9,269 0.5,270 0.67,271 0.5,272 0.66,273 81,274 618,275 4.622,276 5.046,277 6.734,278 4.146,279 3.149,280 4.423,281 2.95,282 10.896,283 3.139,284 4.513,285 3.636,286 6.546,287 4.069,288 3.098,289 4.23,290 2.341,291 10.357,292 3.013,293 4.378,294 3.346,295 6.394,296 3.953,297 3.095,298 3.976,299 1.151,300 9.951,301 2.61,302 3.983,303 3.261,304 5.567,305 3.588,306 2.613,307 3.562,308 0.86,309 7.582,310 2.554,311 3.725,312 2.955,313 5.443,314 3.407,315 2.445,316 3.013,317 0.86,318 7.202,319 2.348,320 3.592,321 2.758,322 5.293,323 3.241,324 2.283,325 2.915,326 6.76,327 2.173,328 3.482,329 2.549,330 5.036,331 3.101,332 2.13,333 2.682,334 5.885,335 2.045,336 3.232,337 2.232,338 4.879,339 2.879,340 1.879,341 2.481,342 5.225,343 1.879,344 3.098,345 2.169,346 4.783,347 2.744,348 1.771,349 2.295,350 5.031,351 1.713,352 2.957,353 2.147,354 4.503,355 2.613,356 1.656,357 2.085,358 4.519,359 1.569,360 2.67,361 1.991,362 4.099,363 2.388,364 1.424,365 1.735,366 3.573,367 1.364,368 2.632,369 1.707,370 3.682,371 2.336,372 1.379,373 1.646,374 3.056,375 1.309,376 2.507,377 1.524,378 3.518,379 2.182,380 1.186,381 1.5,383 2.638,384 1.18,385 1.918,386 1.265,387 3.285,388 1.624,389 0.715,390 0.834,392 1.691,393 0.642,394 1.767,395 1.064,396 3.246,397 1.482,398 0.573,399 0.664,401 1.395,402 0.514,403 17.667,404 0.477,405 1.172,406 0.032,407 46.5,408 1.257,409 24,410 0.649,411 22.5,412 0.608,413 35.665,414 0.964,415 41.133,416 0.596,417 38.353,418 1.037,419 8.91,420 0.241,421 8.677,422 0.235,423 0.16,424 0.047,425 0.311,429 0.685,430 1.163,431 0.841,432 1.192,433 0.7,434 0.995,435 0.854,436 1.05,437 1.067,438 1.122,439 0.513,440 0.95,441 1.258,442 1.022,443 1.092,444 0.997,445 1.219,446 1.075,447 0.874,448 1.043,449 0.925,450 1.021,451 0.719,452 1.044,453 0.851,454 1.062,455 0.917,456 0.991,457 0.79,458 1.131,459 0.735,460 0.874,461 0.747,462 0.82,463 0.486,464 0.894,465 0.797,466 1.155,467 0.984,468 1.129,469 0.626,470 1.125,471 0.863,472 0.756,473 0.784,474 0.727,475 0.674,476 0.802,477 9.5,478 0.293,479 3.556,480 2.979,481 1.995,482 1.351,483 0.865,484 0.55,485 0.556,486 0.244,487 23591,488 71357,489 2.016,490 46.4,491 6,492 20,495 1,496 2,497 1,498 2,499 1.776,500 1.858,501 3.956,502 -0.392,507 100.955,508 1.463,509 3.49,510 4.967,511 5.467,512 5.496,513 5.496,514 3.487,515 4.662,516 5.173,517 4.208,518 2802.35,519 9.079,520 48962.8,525 421.488,526 1.621,527 5.118,528 0.237,529 0.008,530 0.062,531 0.054,532 0.037,533 0.028,534 0.019,535 0.013,536 0.014,537 0.006,538 0.479,539 0.17,540 0.75,541 1.473,542 209.076,543 0.022,544 -0.024,545 0.16,546 -0.016,547 -0.111,548 0.033,549 0.068,550 0.018,551 -0.036,552 -0.024,553 0.233,554 0.051,555 -0.209,556 -0.014,557 -0.211,558 -0.038,559 -0.214,560 -0.11,561 -0.016,562 -0.053,563 -0.049,564 -0.069,565 -0.047,566 -0.053,567 0.093,568 -0.09,569 -0.101,570 -0.093,571 0.011,572 -0.16,573 -0.009,574 0.08,575 0.118,576 0.1,577 0.036,578 0.116,579 -0.028,580 -0.16,581 -0.05,582 -0.139,583 0.016,584 -0.116,585 0.052,586 0.199,587 0.16,588 0.213,589 0.036,590 0.191,591 3.906,592 4.307,593 0.568,594 56.449,595 1.007,596 1.116,597 3.458,598 11.954,599 0.667,600 3.714,601 4.06,602 4.248,603 4.533,604 4.71,605 4.812,606 4.92,607 5.03,608 5.088,609 5.153,610 9.608,611 0.632,612 524.68,613 3.714,614 5.273,615 6.103,616 6.991,617 7.84,618 8.731,619 9.589,620 10.482,621 11.347,622 12.24,633 9,638 9,639 18,647 3,649 69,650 21,651 3,652 40,654 72,655 29,656 18,657 9,658 9,660 4,661 5,663 2,667 1,669 2,671 19,672 10,673 1,674 3,676 1,677 3,680 1,684 32,685 7,686 1,687 8,688 1,692 0.75,693 7,703 1,704 3,705 1,711 1,715 1,717 3,719 1,721 3,724 37,726 1,728 1,729 6,731 3,733 1,741 10.1,743 1,744 3,746 3,747 19.917,748 13.2,749 7.931,750 4.022,751 3.708,752 1.443,753 0.951,754 8.582,755 12.074,756 3.97,757 4.59,758 5.016,759 5.582,760 6.091,761 6.34,762 6.655,763 7.019,764 7.298,765 7.617,766 1,767 55,768 13.865,770 6.047,771 7.917,772 26.186,774 21.793,776 2.417,777 89.417,781 364.904,782 171.672,785 145.141,787 6.046,788 165.627,789 510.045,791 24.841,792 19.746,793 91.332,794 113.051,795 67.843,797 364.904,799 364.904,800 165.627,801 145.141,802 6.046,804 329.591,805 180.454,807 37.396,808 128.23,809 6.046,811 364.904,812 145.141,813 171.672,814 6.046,815 364.904,816 55.5,817 110.127,819 145.141,820 364.904,821 145.141,822 171.672,823 0.588,824 0.312,825 0.171,826 0.091,827 26,828 13,829 0.153,830 11,831 1,832 1.095,833 4.771,834 340.396,835 0.095,836 21,837 184.75,839 1,840 27.185,841 11.681,842 7.348,844 145.141,845 17.72,850 8.358,851 42.683,852 681.718,853 52,855 -2.989,856 33.674,859 -0.834,860 69.505,861 77.029,862 0.24,863 0.571,864 0.813,865 0.895,866 0.9,867 0.9,868 5.228,869 1.879,870 6.125,871 5.885,872 4.745,873 5.278,874 3.484,875 6.944,876 4.655,877 6.464,878 1.771,879 7.692,880 5.225,881 4.511,882 5.359,883 2.243,884 7.999,885 4.35,886 7.805,887 1.656,888 9.361,889 5.031,890 6.389,891 7.534,892 5.272,893 10.991,894 6.211,895 9.181,896 1.424,897 11.089,898 4.519,899 6.909,900 8.367,901 4.112,902 12.826,903 6.655,904 10.586,905 1.379,906 12.855,907 3.573,908 8.321,909 10.108,910 7.317,911 15.394,912 8.055,913 12.013,914 1.186,915 14.647,916 3.056,917 9.177,918 11.266,919 5.889,920 17.539,921 8.849,922 13.456,923 0.715,924 16.459,925 2.638,926 10.414,927 12.844,928 9.427,929 19.969,930 10.07,931 3.149,932 0.573,933 18.286,934 1.691,935 11.423,936 14.154,937 7.625,938 22.24,939 11.033,940 3.098,941 10.896,942 20.124,943 1.395,944 12.592,945 15.665,946 11.561,947 24.622,948 12.184,949 3.095,950 10.357,951 21.972,952 4.423,953 13.669,954 17.048,955 9.342,956 26.944,957 13.229,958 2.613,959 9.951,960 23.828,961 4.23,962 14.813,963 18.53,964 13.706,965 29.311,966 14.356,967 2.445,968 7.582,969 25.689,970 3.976,971 15.921,972 19.951,973 11.051,974 31.655,975 15.441,976 2.283,977 7.202,978 27.556,979 3.562,980 17.057,981 21.421,982 15.858,983 34.018,984 16.561,985 2.13,986 6.76,987 29.427,988 3.013,989 18.179,990 22.862,991 12.755,992 36.373,993 17.666,994 22819,995 39832,996 25.948,997 46.012,998 59.822,999 63.629,1000 61.224,1001 59.854,1002 59.833,1003 77.245,1004 16.323,1005 174.062,1006 57.045,1007 5.516,1008 7.046,1009 6.375,1010 5.231,1011 5.149,1012 7.423,1013 5.9,1014 17.73,1015 5.139,1016 23.073,1017 1.496,1018 1.591,1019 1.531,1020 1.496,1021 1.496,1022 1.931,1023 0.408,1024 4.352,1025 1.426,1026 4.069,1027 4.082,1028 4.721,1029 4.028,1030 7.715,1031 4.004,1032 3.988,1033 4,1034 4.008,1035 3.981,1036 7.474,1037 3.911,1038 3.981,1039 3.946,1040 3.935,1041 3.906,1042 6.999,1043 3.847,1044 3.798,1045 3.822,1046 3.733,1047 3.729,1048 6.351,1049 3.724,1050 3.583,1051 3.604,1052 3.502,1053 3.421,1054 4.942,1055 3.431,1056 3.445,1057 3.486,1058 3.327,1059 3.266,1060 4.85,1061 3.247,1062 3.296,1063 3.35,1064 3.213,1065 3.125,1066 4.694,1067 3.101,1068 3.266,1069 3.307,1070 3.067,1071 3.051,1072 4.491,1073 3.075,1074 0.116,1075 0.126,1076 0.168,1077 0.104,1078 0.079,1079 4.622,1080 0.111,1081 5.046,1082 0.074,1083 6.734,1084 0.272,1085 4.146,1086 0.078,1087 3.149,1088 4.423,1089 2.95,1090 10.896,1091 3.139,1092 2.018,1093 2.001,1094 2.108,1095 2.083,1096 1.323,1097 2.093,1098 1.889,1099 1.874,1100 1.991,1101 1.982,1102 1.28,1103 2.02,1104 1.841,1105 1.866,1106 1.931,1107 1.941,1108 1.27,1109 1.98,1110 1.788,1111 1.766,1112 1.861,1113 1.877,1114 1.069,1115 1.897,1116 1.581,1117 1.55,1118 1.769,1119 1.783,1120 0.945,1121 1.774,1122 1.394,1123 1.352,1124 1.639,1125 1.612,1126 0.867,1127 1.651,1128 1.303,1129 1.226,1130 1.583,1131 1.507,1132 0.719,1133 1.557,1134 1.172,1135 1.13,1136 1.427,1137 1.444,1138 0.599,1139 1.407,1140 4.394,1142 5.733,1143 2.398,1144 7.241,1145 4.727,1146 8.832,1147 6.823,1148 10.473,1150 5.308,1154 9.08,1155 1.726,1157 17.505,1159 -0.131,1164 43.619,1165 100.955,1166 240.812,1167 342.694,1168 377.224,1169 379.224,1170 379.224,1171 92.568,1172 8.366,1173 99.13,1174 107.51,1175 23,1176 12.772,1177 4.459,1178 3.7,1179 65.312,1180 212,1181 206,1182 0.147,1183 269.205,1184 481.76,1185 648.621,1186 61209,1188 26.579,1189 0.718,1190 0.598,1191 26.829,1192 22.138,1193 17.586,1194 0.44,1195 0.357,1196 12.237,1197 16.152,1198 11.63,1199 9.629,1200 18.513,1201 14.273,1202 17.116,1203 0.3,1204 0.207,1205 18.521,1206 11.818,1207 12.302,1208 0.178,1209 0.107,1210 12.766,1211 7.372,1212 10.832,1213 0.118,1214 0.058,1215 11.159,1216 5.326,1217 8.226,1218 0.075,1219 0.028,1220 8.449,1221 3.126,1222 0.241,1223 119.665,1224 0.196,1225 34.604,1226 0.377,1227 194,1228 615.423,1229 242.676,1230 599.011,1231 793.13,1232 554,1233 223,1234 539.069,1235 274.448,1236 572.937,1237 821.34,1238 533,1239 5}
{0 CHEMBL207881,1 1.404,2 13.115,3 4.878,4 23.793,5 103.014,6 7.392,7 0.643,8 3.929,9 4.032,10 3.48,11 3.518,12 5.08,13 3.489,14 4.404,15 4.545,16 3.779,17 3.862,18 5.598,19 3.806,20 4.679,21 4.876,22 3.738,23 3.943,24 5.694,25 3.851,26 4.656,27 4.885,28 3.591,29 3.86,30 5.606,31 3.744,32 4.577,33 4.81,34 3.615,35 3.837,36 5.565,37 3.728,38 4.517,39 4.724,40 3.59,41 3.809,42 5.597,43 3.712,44 4.475,45 4.696,46 3.44,47 3.723,48 5.462,49 3.601,50 4.407,51 4.667,52 3.282,53 3.565,54 5.313,55 3.424,56 0.032,57 0.591,58 9.334,59 4.474,60 8.865,61 5.547,62 0.144,63 0.942,64 16.047,65 7.23,66 35.644,67 9.302,68 0.239,69 1.194,70 23.675,71 9.351,72 43.244,73 12.038,74 0.242,75 1.172,76 23.932,77 9.194,78 40.538,79 12.262,80 0.223,81 1.079,82 21.961,83 8.859,84 31.742,85 12.017,86 0.175,87 1.023,88 20.041,89 8.115,90 36.594,91 10.68,92 0.148,93 0.986,94 19.382,95 7.849,96 32.571,97 10.547,98 0.244,99 0.918,100 19.11,101 7.312,102 30.698,103 10.296,104 8,105 36,106 0.239,107 0.518,108 0.656,109 0.813,110 0.855,111 0.865,112 3.303,113 0.916,114 -5.3,115 -5.18,116 -4.85,118 46.8,120 2,124 1,131 13,132 2,133 3,142 1,151 1,153 1,154 14,155 1,157 5,159 1,161 4,162 15,163 1,166 5,170 5,171 10,172 1,175 3,179 3,181 8,182 2,185 2,186 1,188 4,190 14,191 2,194 2,197 3,198 15,201 2,205 2,206 1,207 11,211 2,212 1,213 1,214 2,215 7,219 1,220 1,221 8,222 1,224 1096,225 17.723,226 17.723,227 17.723,228 17.723,229 17.723,230 15.317,231 21.394,232 10.947,233 17.908,234 13.882,235 13.882,236 13.882,237 13.882,238 13.882,239 10.357,240 28.462,241 5.312,242 14.204,243 4.151,244 2.505,245 1.694,246 0.772,247 0.527,248 0.468,249 3.991,253 1,254 723,255 3.24,259 283.242,261 2.133,262 19.288,264 1,265 1,266 1,267 1,268 0.6,269 0.5,270 1,271 1,272 0.87,273 55.5,274 341,275 4.121,276 3.6,277 5.688,278 3.726,279 2.765,280 3.713,281 2.341,282 8.021,283 2.67,284 4.037,285 3.098,286 5.5,287 3.642,288 2.66,289 3.633,290 0.86,291 7.416,292 2.608,293 3.852,294 2.843,295 5.328,296 3.432,297 2.461,298 3.407,299 0.657,300 6.949,301 2.373,302 3.589,303 2.693,304 5.133,305 3.274,306 2.285,307 2.826,309 6.388,310 2.246,311 3.431,312 2.409,313 4.835,314 3.062,315 2.072,316 2.647,318 5.525,319 2.033,320 3.301,321 2.178,322 4.602,323 2.914,324 1.94,325 2.563,326 5.026,327 1.88,328 2.869,329 1.535,330 3.602,331 2.406,332 1.426,333 2.027,334 3.051,335 1.392,336 2.666,337 1.281,338 3.49,339 2.19,340 1.199,341 1.742,342 2.639,343 1.186,344 2.5,345 1.146,346 3.414,347 2,348 1,349 1.5,350 2.275,351 1,352 2.5,353 1,354 3.247,355 2,356 1,357 1.5,358 2.136,359 1,360 1.991,361 1,362 3.244,363 1.767,364 0.795,365 0.911,366 1.816,367 0.767,368 1.721,369 0.866,370 2.924,371 1.488,372 0.508,373 0.585,374 1.156,375 0.494,376 1.293,377 0.446,378 2.785,379 0.919,385 1.032,386 0.301,387 2.349,388 0.717,389 -0.27,390 -0.326,392 -0.643,393 -0.264,394 0.737,395 0.031,396 2,397 0.326,398 -0.655,399 -0.831,401 -1.492,402 -0.633,403 12.4,404 0.477,405 0.485,406 0.019,407 36,408 1.385,409 20.5,410 0.788,411 15.5,412 0.596,413 17.181,414 0.661,415 27.2,416 0.579,417 25.196,418 0.969,419 7.426,420 0.286,421 5.26,422 0.202,423 0.054,425 0.242,429 0.831,430 1.04,431 0.816,432 0.966,433 0.746,434 0.897,435 0.651,436 1.203,437 0.933,438 1.158,439 0.433,440 1.095,441 1.215,442 1.102,443 1.129,444 1.059,445 1.006,446 1.078,447 1.046,448 1.012,449 1.072,450 0.993,451 0.859,452 1.025,453 0.718,454 0.887,455 0.847,456 0.884,457 0.526,458 0.886,459 0.97,460 1,461 1.023,462 0.998,463 1.031,464 1.011,465 0.838,466 1.136,467 1.071,468 1.112,469 0.905,470 1.122,471 0.552,472 0.94,473 0.883,474 0.936,475 0.363,476 0.954,477 5,478 0.07,479 1.556,480 0.688,481 0.996,482 0.507,483 0.322,484 0.269,485 0.151,486 0.101,487 9238,488 25726,489 2.082,490 44.7,491 2,492 15,495 2,496 2,499 1.684,500 2,501 3.678,502 0.175,507 65.965,508 1.404,509 3.05,510 3.861,511 4.783,512 5.028,513 5.087,514 3.123,515 4.056,516 4.668,517 3.851,518 1251.69,519 8.052,520 16869.9,522 1,525 261.066,526 1.14,527 4.655,528 0.179,529 0.004,530 0.043,531 0.021,532 0.036,533 0.017,534 0.011,535 0.011,536 0.008,537 0.006,538 0.334,539 0.33,540 1,541 1.008,542 131.567,543 -0.061,544 0.03,545 0.019,546 0.042,547 -0.086,548 0.043,549 0.141,550 -0.16,551 -0.057,552 -0.166,553 0.208,554 -0.143,555 -0.15,556 -0.105,557 -0.159,558 -0.088,559 -0.148,560 -0.121,561 -0.107,562 -0.017,563 -0.087,564 -0.027,565 -0.094,566 -0.048,567 0.056,568 0.089,569 0.122,570 0.104,571 0.093,572 0.118,573 -0.09,574 -0.001,575 -0.068,576 -0.018,577 -0.058,578 -0.035,579 -0.058,580 -0.144,581 -0.117,582 -0.134,583 -0.091,584 -0.134,585 0.171,586 0.048,587 0.109,588 0.033,589 0.134,590 0.053,591 2.44,592 3.619,593 0.692,594 29.882,595 0.998,596 1.112,597 4.067,598 16.541,599 0.68,600 3.367,601 3.611,602 3.761,603 3.951,604 4.174,605 4.094,606 4.159,607 4.29,608 4.331,609 4.317,610 7.616,611 0.648,612 347.44,613 3.367,614 4.86,615 5.652,616 6.479,617 7.287,618 8.116,619 8.931,620 9.762,621 10.58,622 11.412,623 2.1,626 1,633 13,638 5,639 18,645 1,647 1,649 47,650 19,651 3,652 28,654 49,655 22,656 18,657 5,658 13,660 3,661 3,669 2,671 19,672 3,674 1,677 1,680 1,684 21,685 4,686 2,687 4,691 1,692 1,693 3,704 3,711 1,715 1,717 3,724 26,728 1,729 3,730 1,731 1,741 6.4,743 1,744 1,746 1,747 13,748 8.117,749 5.833,750 2.71,751 3.279,752 1.464,753 0.962,754 6.286,755 10.346,756 3.664,757 4.197,758 4.647,759 5.145,760 5.676,761 5.631,762 5.903,763 6.318,764 6.656,765 6.902,766 0.889,767 33,768 9.563,770 3.932,771 7.788,772 18.243,774 14.485,776 2.288,777 59.5,780 1,781 223.651,782 150.891,783 18.011,785 78.828,788 150.891,789 302.479,790 18.011,792 7.175,793 123.191,794 86.749,795 30.615,797 223.651,799 223.651,800 168.901,801 78.828,804 223.651,805 78.828,807 7.175,808 143.716,809 18.011,811 223.651,812 96.839,813 150.891,815 223.651,816 27.699,817 123.191,818 18.011,819 78.828,820 223.651,821 96.839,822 150.891,823 0.562,824 0.298,825 0.154,826 0.091,827 15,828 6,829 0.163,830 8,832 1,833 4.038,834 196.709,836 18,837 114.211,840 18.025,841 9.067,842 5.92,844 96.839,845 25.546,850 4.761,851 60.694,852 471.38,853 38,856 10.619,859 -0.773,860 46.92,861 52.279,862 0.253,863 0.549,864 0.695,865 0.861,866 0.905,867 0.916,868 4.84,869 1.199,870 5.58,871 3.051,872 4.29,873 4.883,874 2.477,875 6.244,876 4.243,877 6.006,878 1,879 7.04,880 2.639,881 3.611,882 4.388,883 2.243,884 6.783,885 3.519,886 7.262,887 1,888 8.586,889 2.275,890 5.746,891 6.954,892 3.667,893 9.789,894 5.646,895 8.546,896 0.795,897 10.182,898 2.136,899 5.832,900 7.193,901 4.112,902 11.107,903 5.678,904 9.855,905 0.508,906 11.808,907 1.816,908 7.416,909 9.249,910 5.207,911 13.575,912 7.261,913 11.181,915 13.455,916 1.156,917 7.886,918 9.86,919 5.889,920 15.243,921 7.674,922 12.519,923 -0.27,924 15.116,926 9.199,927 11.654,928 6.849,929 17.485,930 8.986,931 2.765,932 -0.655,933 16.786,934 -0.643,935 9.888,936 12.49,937 7.625,938 19.334,939 9.619,940 2.66,941 8.021,942 18.464,943 -1.492,944 11.053,945 14.122,946 8.526,947 21.473,948 10.78,949 2.461,950 7.416,951 20.147,952 3.713,953 11.871,954 15.106,955 9.342,956 23.417,957 11.545,958 2.285,959 6.949,960 21.835,961 3.633,962 12.956,963 16.631,964 10.216,965 25.509,966 12.62,967 2.072,968 6.388,969 23.527,970 3.407,971 13.85,972 17.714,973 11.051,974 27.505,975 13.465,976 1.94,977 5.525,978 25.222,979 2.826,980 14.892,981 19.166,982 11.912,983 29.577,984 14.492,985 1.426,986 5.026,987 26.92,988 2.647,989 15.829,990 20.318,991 12.755,992 31.602,993 15.386,994 8952,995 15038,996 19.068,997 31.983,998 40.582,999 40.972,1000 40.73,1001 40.315,1002 40.222,1003 54.107,1004 7.716,1005 104.794,1006 39.301,1007 4.965,1008 5.6,1009 5.49,1010 4.779,1011 4.765,1012 6.713,1013 3.925,1014 13.748,1015 4.67,1016 10.053,1017 1.449,1018 1.463,1019 1.455,1020 1.44,1021 1.436,1022 1.932,1023 0.276,1024 3.743,1025 1.404,1026 3.994,1027 4.024,1028 3.931,1029 3.915,1030 7.474,1031 3.914,1032 3.909,1033 3.933,1034 3.845,1035 3.84,1036 6.351,1037 3.837,1038 3.824,1039 3.855,1040 3.749,1041 3.769,1042 4.941,1043 3.76,1044 3.579,1045 3.61,1046 3.489,1047 3.391,1048 4.759,1049 3.403,1050 3.284,1051 3.345,1052 3.171,1053 3.087,1054 4.666,1055 3.096,1056 3.016,1057 3.039,1058 2.924,1059 2.824,1060 4.212,1061 2.842,1062 2.966,1063 3.006,1064 2.829,1065 2.784,1066 4.05,1067 2.793,1068 2.854,1069 2.925,1070 2.687,1071 2.735,1072 3.739,1073 2.715,1074 0.147,1075 0.129,1076 0.203,1077 0.133,1078 0.099,1079 4.121,1080 0.133,1081 3.6,1082 0.084,1083 5.688,1084 0.286,1085 3.726,1086 0.095,1087 2.765,1088 3.713,1089 2.341,1090 8.021,1091 2.67,1092 1.95,1093 1.923,1094 2.067,1095 2.052,1096 1.245,1097 2.058,1098 1.904,1099 1.881,1100 2.021,1101 1.998,1102 1.152,1103 2.006,1104 1.835,1105 1.807,1106 1.967,1107 1.917,1108 1.035,1109 1.936,1110 1.52,1111 1.48,1112 1.731,1113 1.735,1114 0.908,1115 1.728,1116 1.236,1117 1.175,1118 1.487,1119 1.476,1120 0.645,1121 1.479,1122 0.94,1123 0.912,1124 1.181,1125 1.206,1126 0.25,1127 1.182,1128 0.912,1129 0.878,1130 1.181,1131 1.145,1132 0.218,1133 1.144,1134 0.886,1135 0.821,1136 1.154,1137 1.062,1138 0.218,1139 1.107,1140 4.043,1142 5.303,1144 6.744,1146 8.262,1148 9.818,1154 8.733,1155 1.385,1156 3.372,1157 5.857,1164 30.434,1165 65.965,1166 143.344,1167 181.45,1168 224.801,1169 236.311,1170 239.066,1171 41.227,1172 7.067,1173 58.56,1174 58.56,1175 18,1176 11.987,1177 4.322,1178 3.459,1179 44.716,1180 119,1181 114,1182 0.18,1183 189.131,1184 330.35,1185 453.239,1186 11990,1188 18.192,1189 0.7,1190 0.553,1191 18.192,1192 14.391,1193 12.687,1194 0.453,1195 0.305,1196 8.476,1197 12.344,1198 8.295,1199 6.904,1200 12.687,1201 8.554,1202 11.074,1203 0.308,1204 0.167,1205 11.074,1206 6.007,1207 8.385,1208 0.2,1209 0.094,1210 8.385,1211 3.955,1212 6.622,1213 0.13,1214 0.051,1215 6.622,1216 2.588,1217 5.564,1218 0.087,1219 0.028,1220 5.564,1221 1.767,1222 0.295,1223 78.545,1224 0.229,1225 26.002,1226 0.461,1227 128,1228 371.954,1229 138.356,1230 362.015,1231 487.93,1232 338,1233 142,1234 351.63,1235 150.476,1236 356.315,1237 508.18,1238 336,1239 4.3}
{0 CHEMBL2315528,1 1.39,2 10.909,3 3.948,4 15.586,5 85.953,6 7.82,7 0.522,8 3.67,9 3.763,10 3.263,11 3.334,12 4.938,13 3.298,14 4.12,15 4.257,16 3.528,17 3.669,18 5.385,19 3.599,20 4.372,21 4.559,22 3.514,23 3.773,24 5.507,25 3.673,26 4.337,27 4.544,28 3.389,29 3.681,30 5.471,31 3.563,32 4.211,33 4.436,34 3.375,35 3.535,36 5.443,37 3.446,38 4.058,39 4.23,40 3.303,41 3.417,42 5.408,43 3.358,44 4.005,45 4.183,46 3.121,47 3.378,48 5.188,49 3.278,50 3.953,51 4.188,52 2.958,53 3.25,54 5.078,55 3.119,56 0.021,57 0.417,58 6.245,59 3.284,60 12.75,61 3.985,62 0.122,63 0.665,64 10.863,65 5.444,66 36.193,67 7.005,68 0.145,69 0.878,70 16.03,71 7.074,72 49.248,73 8.982,74 0.118,75 0.848,76 15.991,77 7.052,78 41.327,79 9.199,80 0.069,81 0.768,82 14.46,83 6.153,84 31.998,85 8.311,86 0.117,87 0.639,88 11.668,89 4.837,90 39.679,91 5.837,92 0.1,93 0.6,94 10.945,95 4.814,96 32.558,97 5.974,98 0.042,99 0.589,100 11.175,101 4.906,102 21.863,103 6.748,104 19,105 29,106 0.248,107 0.584,108 0.699,109 0.811,110 0.847,111 0.86,112 3.145,113 0.908,114 -4.71,115 -4.62,116 -4.34,118 51.4,120 3,130 2,131 8,132 4,142 2,151 1,153 1,154 18,155 1,157 2,159 1,161 1,162 23,163 1,166 2,170 1,171 22,172 1,175 3,179 1,181 15,182 2,185 5,188 2,190 13,191 2,194 4,197 2,198 14,199 1,201 2,205 1,207 12,208 1,211 3,214 1,215 8,216 1,219 3,220 1,221 6,222 1,224 664,225 14.922,226 14.922,227 14.922,228 14.922,229 14.922,230 12.849,231 12.748,232 9.281,233 14.946,234 11.336,235 11.336,236 11.336,237 11.336,238 11.336,239 8.199,240 8.021,241 4.357,242 11.37,243 3.819,244 1.933,245 1.284,246 0.656,247 0.453,248 0.378,249 3.811,252 1,253 1,254 489,255 3.317,259 160.06,261 1.835,262 20.355,263 1,264 1,265 1,266 1,267 1,268 0.6,269 0.5,270 1,271 1,272 0.87,273 46.5,274 240,275 4.343,276 4.058,277 6.139,278 3.853,279 2.853,280 3.94,281 2.517,282 9.038,283 2.852,284 4.066,285 3.6,286 5.494,287 3.653,288 2.652,289 3.662,290 2.341,291 7.395,292 2.652,293 3.738,294 3.193,295 5.143,296 3.295,297 2.293,298 2.969,300 6.414,301 2.287,302 3.52,303 2.912,304 4.604,305 3.063,306 2.059,307 2.672,309 5.031,310 2.05,311 3.45,312 2.568,313 4.424,314 2.669,315 1.674,316 2.265,318 4.393,319 1.665,320 3.162,321 2.102,322 3.642,323 2.479,324 1.48,325 2.181,326 3.093,327 1.478,328 2.872,329 1.575,330 3.414,331 2,332 1,333 1.651,334 2.275,335 1,336 2.681,337 1.177,338 3.233,339 1.971,340 1,341 1.5,342 1.859,343 0.969,344 2.5,345 1.038,346 3.098,347 1.801,348 0.8,349 1.31,350 1.695,351 0.798,352 1.839,353 1,354 2.909,355 1.529,356 0.528,357 0.667,358 1.166,359 0.525,360 1.466,361 0.813,362 2.332,363 0.914,364 -0.072,365 -0.096,366 -0.139,367 -0.07,368 1.039,369 0.476,370 2,371 0.6,372 -0.391,373 -0.551,374 -0.805,375 -0.385,376 0.764,377 0.237,378 2,379 0.252,380 -0.744,381 -0.989,383 -1.586,384 -0.734,385 0.518,386 -0.216,387 1.891,388 0.015,389 -1,390 -1.305,392 -2,393 -0.952,394 0.5,395 -0.511,396 1.763,398 -1,399 -1.5,401 -2.136,402 -0.983,403 10.567,404 0.48,405 0.4,406 0.018,407 30.75,408 1.398,409 18.5,410 0.841,411 12.25,412 0.557,413 13.784,414 0.627,415 21.833,416 0.59,417 20.706,418 0.941,419 6.255,420 0.284,421 4.431,422 0.201,423 0.101,425 0.237,429 0.711,430 0.867,431 0.771,432 0.861,433 0.624,434 0.834,435 0.343,436 0.991,437 0.871,438 1.041,439 0.394,440 1.033,441 0.938,442 0.912,443 1.087,444 0.969,445 0.963,446 1.036,447 0.793,448 1.022,449 1.054,450 1.049,451 0.799,452 1.086,453 0.584,454 0.973,455 0.747,456 0.917,457 0.664,458 0.863,459 1.376,460 0.991,461 1.062,462 0.961,463 1.335,464 0.965,465 1.117,466 1.057,467 1.213,468 1.108,469 1.107,470 1.165,471 0.413,472 1.104,473 0.901,474 1.096,475 0.431,476 1.072,477 4,478 0.066,479 2,480 0.5,481 0.844,482 0.639,483 0.243,484 0.214,485 0.164,486 0.076,487 5175,488 16808,489 1.995,490 40.5,491 2,492 8,495 1,496 4,499 1.639,500 1.886,501 3.414,502 -0.399,504 1,507 51.436,508 1.39,509 3.277,510 3.925,511 4.554,512 4.757,513 4.831,514 2.924,515 3.88,516 4.427,517 3.596,518 830.78,519 7.576,520 9682.44,522 1,523 1,524 1,525 192.75,526 1.293,527 4.398,528 0.174,529 0.007,530 0.069,531 0.018,532 0.035,533 0.027,534 0.011,535 0.012,536 0.011,537 0.006,538 0.369,539 0.5,540 1,541 1.426,542 104.124,543 -0.062,544 0.075,545 -0.008,546 0.076,547 -0.022,548 0.047,549 0.243,550 -0.061,551 -0.044,552 -0.08,553 0.163,554 -0.097,555 -0.136,556 0.045,557 -0.16,558 0.006,559 -0.156,560 -0.065,561 -0.062,562 -0.081,563 -0.1,564 -0.059,565 -0.087,566 -0.083,567 0.086,568 0.005,569 0.234,570 0.072,571 0.094,572 0.156,573 -0.166,575 -0.103,576 -0.011,577 -0.136,578 -0.041,579 -0.17,580 -0.105,581 -0.281,582 -0.141,583 -0.211,584 -0.212,585 0.091,586 -0.153,587 0.074,588 -0.095,589 0.135,590 -0.029,591 2.46,592 3.539,593 0.545,594 21.107,595 0.998,596 1.103,597 3.476,598 12.079,599 0.709,600 3.178,601 3.401,602 3.555,603 3.714,604 3.912,605 3.807,606 3.807,607 3.892,608 3.912,609 3.85,610 6.488,611 0.679,612 289.35,613 3.178,614 4.654,615 5.442,616 6.263,617 7.074,618 7.899,619 8.719,620 9.545,621 10.369,622 11.196,623 2.7,630 1,633 8,638 4,639 12,649 37,650 15,651 2,652 23,654 38,655 19,656 12,657 4,658 8,660 2,661 2,669 3,670 3,671 13,672 3,674 1,677 1,680 1,682 1,684 15,685 3,686 1,687 3,691 1,692 1,693 2,704 2,706 2,707 1,711 1,715 1,717 2,724 22,728 1,729 3,736 2,738 1,739 3,741 5.4,743 1,744 1,747 11.667,748 6.733,749 5.111,750 2.197,751 3.587,752 1.558,753 0.934,754 5.496,755 10.013,756 3.555,757 4.043,758 4.554,759 5.098,760 5.663,761 5.895,762 6.27,763 6.673,764 7.089,765 7.375,766 1,767 28,768 8.049,770 3.263,771 8.015,772 15.071,774 11.714,776 2.515,777 55.333,781 164.795,782 147.729,783 31.059,785 67.828,788 147.729,789 232.624,790 31.059,792 7.604,793 75.81,794 85.34,795 43.802,796 34.061,797 164.795,799 164.795,800 178.788,801 67.828,804 164.795,805 67.828,807 38.663,808 106.064,809 34.061,811 164.795,812 98.888,813 147.729,815 164.795,816 21.256,817 75.81,818 50.663,819 98.888,820 164.795,821 98.888,822 147.729,823 0.553,824 0.3,825 0.158,826 0.093,827 11,828 5,829 0.105,830 4,832 1,833 3.539,834 151.79,836 12,837 94.107,840 15.517,841 7.792,842 4.884,844 98.888,845 15.175,850 3.637,851 42.683,852 411.412,853 34,856 10.539,859 -0.794,860 36.942,861 40.824,862 0.267,863 0.629,864 0.754,865 0.874,866 0.913,867 0.927,868 4.754,869 1,870 5.371,871 2.275,872 4.078,873 4.727,874 3.101,875 6.052,876 4.073,877 5.96,878 0.8,879 6.847,880 1.859,881 3.434,882 4.205,883 2.243,884 6.72,885 3.426,886 7.243,887 0.528,888 8.42,889 1.695,890 5.541,891 6.838,892 4.77,893 9.725,894 5.536,895 8.555,896 -0.072,897 10.053,898 1.166,899 5.707,900 7.128,901 4.112,902 11.247,903 5.7,904 9.892,905 -0.391,906 11.724,907 -0.139,908 7.255,909 9.2,910 6.536,911 13.731,912 7.25,913 11.248,914 -0.744,915 13.422,916 -0.805,917 7.821,918 9.918,919 5.889,920 15.618,921 7.816,922 12.618,923 -1,924 15.14,925 -1.586,926 9.106,927 11.698,928 8.334,929 17.916,930 9.101,931 2.853,932 -1,933 16.874,934 -2,935 9.887,936 12.666,937 7.625,938 19.968,939 9.882,940 2.652,941 9.038,942 18.62,943 -2.136,944 11.04,945 14.276,946 10.144,947 22.197,948 11.035,949 2.293,950 7.395,951 20.376,952 3.94,953 11.937,954 15.397,955 9.342,956 24.325,957 11.933,958 2.059,959 6.414,960 22.139,961 3.662,962 13.026,963 16.904,964 11.961,965 26.53,966 13.021,967 1.674,968 5.031,969 23.91,970 2.969,971 13.986,972 18.118,973 11.051,974 28.693,975 13.981,976 1.48,977 4.393,978 25.686,979 2.672,980 15.043,981 19.564,982 13.782,983 30.891,984 15.039,985 1,986 3.093,987 27.467,988 2.265,989 16.037,990 20.835,991 12.755,992 33.072,993 16.033,994 5269,995 9567,996 15.197,997 26.245,998 34.777,999 35.942,1000 33.765,1001 32.711,1002 32.676,1003 45.633,1004 9.715,1005 84.718,1006 32.553,1007 5.143,1008 6.058,1009 5.911,1010 4.853,1011 4.853,1012 6.94,1013 5.034,1014 15.134,1015 4.852,1016 10.814,1017 1.512,1018 1.563,1019 1.468,1020 1.422,1021 1.421,1022 1.984,1023 0.422,1024 3.683,1025 1.415,1026 3.993,1027 4.016,1028 3.941,1029 3.953,1030 7.474,1031 3.947,1032 3.885,1033 3.914,1034 3.819,1035 3.833,1036 6.818,1037 3.826,1038 3.581,1039 3.604,1040 3.496,1041 3.42,1042 6.351,1043 3.427,1044 3.394,1045 3.453,1046 3.321,1047 3.246,1048 4.932,1049 3.254,1050 3.225,1051 3.237,1052 3.177,1053 3.135,1054 4.683,1055 3.142,1056 2.942,1057 2.977,1058 2.817,1059 2.747,1060 4.373,1061 2.76,1062 2.854,1063 2.925,1064 2.687,1065 2.735,1066 3.771,1067 2.715,1068 2.788,1069 2.854,1070 2.672,1071 2.641,1072 3.73,1073 2.643,1074 0.189,1075 0.176,1076 0.267,1077 0.168,1078 0.124,1079 4.343,1080 0.171,1081 4.058,1082 0.109,1083 6.139,1084 0.393,1085 3.853,1086 0.124,1087 2.853,1088 3.94,1089 2.517,1090 9.038,1091 2.852,1092 1.975,1093 1.955,1094 2.073,1095 2.035,1096 1.24,1097 2.049,1098 1.895,1099 1.869,1100 2.015,1101 1.973,1102 1.158,1103 1.988,1104 1.529,1105 1.496,1106 1.73,1107 1.724,1108 0.902,1109 1.718,1110 1.362,1111 1.307,1112 1.558,1113 1.539,1114 0.641,1115 1.546,1116 1.196,1117 1.18,1118 1.304,1119 1.318,1120 0.298,1121 1.306,1122 0.886,1123 0.84,1124 1.181,1125 1.132,1126 0.218,1127 1.128,1128 0.873,1129 0.821,1130 1.12,1131 1.062,1132 0.193,1133 1.107,1134 0.771,1135 0.715,1136 1.016,1137 0.971,1138 0.006,1139 0.993,1140 3.85,1142 5.094,1144 6.526,1146 8.047,1148 9.612,1154 8.664,1155 1,1162 8.81,1163 8.302,1164 25.139,1165 51.436,1166 121.24,1167 145.24,1168 168.485,1169 175.995,1170 178.75,1171 41.947,1172 6.426,1173 61.09,1174 61.09,1175 12,1176 11.772,1177 4,1178 3.585,1179 42.541,1180 86,1181 80,1182 0.244,1183 160.824,1184 290.28,1185 384.169,1186 4900,1188 15.786,1189 0.718,1190 0.547,1191 15.786,1192 12.043,1193 10.686,1194 0.465,1195 0.303,1196 6.928,1197 10.49,1198 6.745,1199 5.625,1200 10.686,1201 6.964,1202 9.029,1203 0.311,1204 0.167,1205 9.029,1206 4.833,1207 6.79,1208 0.2,1209 0.094,1210 6.79,1211 3.21,1212 5.243,1213 0.131,1214 0.051,1215 5.243,1216 2.027,1217 4.365,1218 0.089,1219 0.027,1220 4.365,1221 1.345,1222 0.393,1223 65.623,1224 0.257,1225 22.318,1226 0.638,1227 104,1228 321.53,1229 109.122,1230 323.018,1231 423.02,1232 298,1233 115,1234 289.075,1235 118.157,1236 299.689,1237 420.83,1238 281,1239 5}
{0 CHEMBL593120,1 1.704,2 7.684,3 3.972,4 15.78,5 80.334,6 8.246,7 0.3,8 3.652,9 3.767,10 3.358,11 3.289,12 4.696,13 3.204,14 4.196,15 4.37,16 3.744,17 3.673,18 5.21,19 3.554,20 4.422,21 4.629,22 3.639,23 3.742,24 5.419,25 3.6,26 4.46,27 4.688,28 3.682,29 3.686,30 5.577,31 3.573,32 4.467,33 4.677,34 3.585,35 3.683,36 5.599,37 3.56,38 4.461,39 4.705,40 3.614,41 3.695,42 5.427,43 3.496,44 4.277,45 4.517,46 3.57,47 3.572,48 5.265,49 3.344,50 4.003,51 4.218,52 2.827,53 3.27,54 4.839,55 2.985,56 0.009,57 0.506,58 7.247,59 3.567,60 4.562,61 4.543,62 0.157,63 0.842,64 17.441,65 6.396,66 19.736,67 8.168,68 0.164,69 0.945,70 23.975,71 8.181,72 29.364,73 10.151,74 0.242,75 0.955,76 23.438,77 7.796,78 39.083,79 10.048,80 0.278,81 0.978,82 21.488,83 7.505,84 51.638,85 9.136,86 0.237,87 0.952,88 25.625,89 8.755,90 42.659,91 10.661,92 0.316,93 0.826,94 29.758,95 8.316,96 36.861,97 9.358,98 0.149,99 0.553,100 21.891,101 6.153,102 20.6,103 7.519,104 18,105 27,106 0.316,107 0.644,108 0.786,109 0.807,110 0.807,111 0.807,112 3.01,113 1.151,114 -4.34,115 -4.27,116 -4.03,118 38.9,119 2,121 2,124 2,131 4,132 1,133 1,142 1,143 1,154 8,157 2,159 2,161 2,162 12,166 2,170 2,171 10,174 1,175 6,179 4,181 8,185 4,188 2,190 7,194 4,198 5,201 3,205 1,207 4,219 1,221 1,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 11.317,231 11.8,232 7.443,233 12.949,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 8.099,240 11.238,241 3.514,242 10.654,243 3.466,244 1.695,245 0.931,246 0.82,247 0.82,248 0.82,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 17.842,264 1,265 1,266 1,267 1,268 1,269 1,270 1,271 1,272 1,273 40.333,274 146,275 4.288,276 4.518,277 6.685,278 4.089,279 3.09,280 3.734,281 3.656,282 10.662,283 3.087,284 3.909,285 3.798,286 5.452,287 3.443,288 2.559,289 3.252,290 1.983,291 7.244,292 2.292,293 3.73,294 2.972,295 5.182,296 3.293,297 2.39,298 3.001,299 0.659,300 6.354,301 2.111,302 3.235,303 2.831,304 4.809,305 2.789,306 1.839,307 2.432,308 0.269,309 5.186,310 1.742,311 2.933,312 2.685,313 4.565,314 2.756,315 1.772,316 1.943,318 4.38,319 1.639,320 2.5,321 1.935,322 3.449,323 2.057,324 1.131,325 1.5,326 2.496,327 1.031,328 2.225,329 1.663,330 3.414,331 2,332 1,333 1.188,334 2.275,335 1,336 1.765,337 1,338 3.058,339 1.416,340 0.618,341 0.665,342 1.372,343 0.486,344 1.538,345 0.947,346 3,347 1.274,348 0.314,349 0.36,350 0.787,351 0.282,352 0.931,353 0.749,354 2.441,355 0.556,356 -0.337,357 -0.392,358 -0.819,359 -0.245,360 0.879,361 0.27,362 2,363 0.429,364 -0.525,365 -0.672,366 -1.237,367 -0.481,368 0.5,369 -0.028,370 1.904,372 -1,373 -1,374 -2,375 -1,377 -0.643,378 1.563,380 -1,381 -1.5,383 -3,384 -1,385 -0.057,386 -0.993,387 1.537,388 -0.409,389 -1.301,390 -1.535,392 -3.066,393 -1.037,394 -0.215,395 -1,396 1.112,397 -0.57,398 -1.398,399 -1.57,401 -3.177,402 -1.229,403 9.681,404 0.51,405 0.511,406 0.027,407 20.5,408 1.079,409 9,410 0.474,411 11.5,412 0.605,413 17.929,414 0.944,415 20.919,416 0.581,417 12.217,418 0.643,419 3.512,420 0.185,421 5.563,422 0.293,423 0.212,425 0.31,429 0.637,430 1.2,431 0.655,432 0.884,433 0.573,434 0.926,435 0.522,436 1.132,437 0.811,438 1.047,439 0.536,440 0.957,441 1.066,442 1.123,443 1.011,444 1.07,445 1.097,446 1.067,447 1.004,448 0.982,449 0.693,450 0.847,451 1.074,452 0.887,453 1.68,454 0.983,455 0.792,456 0.838,457 2.113,458 0.993,459 1.162,460 0.958,461 0.867,462 0.861,463 1.368,464 0.937,465 0.771,466 1.004,467 1.495,468 1.366,469 0.423,470 1.047,471 1.192,472 1.25,473 1.978,474 1.629,475 0.756,476 1.664,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 9214,489 1.965,490 47.2,491 7,492 8,495 1,496 1,499 1.607,500 1.81,501 2.928,502 -0.249,504 1,507 61.327,508 1.704,509 3.475,510 4.239,511 4.35,512 4.35,513 4.35,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,522 1,523 1,524 1,525 186.117,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.5,540 1,541 0.92,542 81.822,543 -0.031,544 -0.047,545 0.035,546 0.041,547 -0.042,548 0.023,549 0.193,550 -0.031,551 0.053,552 -0.038,553 0.092,554 0.013,555 -0.114,556 -0.133,557 -0.125,558 -0.133,559 -0.098,560 -0.109,561 0.07,562 -0.025,563 0.063,564 -0.009,565 0.138,566 0.041,567 -0.298,568 0.018,569 -0.108,570 0.001,571 -0.298,572 -0.11,573 -0.125,574 -0.012,575 0.039,576 0.111,577 -0.155,578 0.031,579 0.112,580 0.064,581 -0.113,582 -0.107,583 0.186,584 -0.015,585 -0.279,586 -0.353,587 -0.581,588 -0.568,589 -0.201,590 -0.635,591 1.662,592 5.388,593 0.579,594 12.648,595 1,596 1.122,597 3.11,598 9.675,599 0.696,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.639,612 296.85,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 5.6,628 1,630 1,633 4,638 2,639 6,648 1,649 36,650 8,651 1,652 20,654 37,655 14,656 6,657 2,658 4,660 2,661 2,662 1,663 2,671 8,672 6,673 2,674 2,677 1,679 1,680 2,682 1,684 17,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,718 1,719 1,721 2,722 1,724 19,729 2,730 1,732 1,733 2,740 1,741 2.8,744 1,747 10.5,748 6.926,749 4.25,750 2.227,751 1.274,752 1.215,753 0.933,754 5.028,755 7.196,756 3.258,757 3.75,758 4.147,759 4.614,760 4.909,761 4.915,762 5.112,763 5.001,764 4.75,765 4.875,766 1,767 25,768 7.041,770 2.914,771 7.751,772 13.526,774 10.922,776 2.251,777 42.778,778 0.001,781 188.338,782 102.864,783 34.796,784 39.149,785 25.145,787 32.22,788 70.645,789 252.631,790 34.796,791 17.65,792 21.016,793 37.905,794 29.85,795 23.472,796 0.693,797 220.557,798 39.149,799 188.338,800 105.441,801 25.145,802 71.368,804 188.338,805 25.145,807 55.452,808 49.989,809 39.149,810 32.22,811 188.338,812 59.941,813 142.013,815 188.338,816 47.309,817 55.555,818 18.011,819 81.079,820 188.338,821 59.941,822 142.013,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.108,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,838 1,840 14.575,841 6.554,842 3.817,844 59.941,845 7.467,850 1.669,851 18.011,852 390.292,853 25,856 12.388,858 4.252,859 0.745,860 36,861 40.392,862 0.33,863 0.672,864 0.82,865 0.841,866 0.841,867 0.841,868 4.483,869 0.618,870 5.352,871 2.275,872 4.007,873 4.431,874 3.541,875 6.125,876 3.882,877 5.657,878 0.314,879 6.893,880 1.372,881 3.611,882 4.159,883 2.424,884 7.013,885 3.443,886 6.939,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.441,892 5.852,893 10.088,894 5.361,895 8.252,896 -0.525,897 10.243,898 -0.819,899 5.969,900 6.912,901 5.114,902 11.856,903 5.767,904 9.594,905 -1,906 11.992,907 -1.237,908 7.398,909 8.712,910 8.351,911 14.46,912 7.188,913 10.954,914 -1,915 13.773,916 -2,917 8.181,918 9.521,919 7.886,920 16.59,921 7.991,922 12.328,923 -1.301,924 15.577,925 -3,926 9.411,927 11.113,928 10.89,929 19.039,930 9.224,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.104,937 10.654,938 21.315,939 10.209,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.588,946 13.44,947 23.71,948 11.372,949 2.39,950 7.244,951 21.09,952 3.734,953 12.565,954 14.689,955 13.395,956 26.042,957 12.438,958 1.839,959 6.354,960 22.951,961 3.252,962 13.691,963 16.11,964 15.995,965 28.418,966 13.575,967 1.772,968 5.186,969 24.82,970 3.001,971 14.774,972 17.281,973 16.108,974 30.771,975 14.676,976 1.131,977 4.38,978 26.695,979 2.432,980 15.893,981 18.664,982 18.553,983 33.141,984 15.805,985 1,986 2.496,987 28.575,988 1.943,989 16.996,990 19.882,991 18.799,992 35.503,993 16.92,994 3028,995 5440,996 12.83,997 25.063,998 29.747,999 32.877,1000 30.632,1001 29.496,1002 29.428,1003 36.153,1004 13.134,1005 81.514,1006 27.337,1007 5.235,1008 6.518,1009 6.3,1010 5.184,1011 5.09,1012 6.734,1013 7.135,1014 17.392,1015 5.087,1016 10.126,1017 1.487,1018 1.644,1019 1.532,1020 1.475,1021 1.471,1022 1.808,1023 0.657,1024 4.076,1025 1.367,1026 3.969,1027 3.997,1028 4.035,1029 3.909,1030 7.428,1031 3.901,1032 3.742,1033 3.787,1034 3.976,1035 3.652,1036 4.938,1037 3.606,1038 3.624,1039 3.679,1040 3.642,1041 3.524,1042 4.664,1043 3.496,1044 3.293,1045 3.348,1046 3.223,1047 3.066,1048 4.351,1049 3.077,1050 2.889,1051 3.009,1052 3.159,1053 2.755,1054 4.124,1055 2.75,1056 2.874,1057 2.945,1058 2.687,1059 2.735,1060 3.693,1061 2.715,1062 2.854,1063 2.925,1064 2.645,1065 2.618,1066 3.674,1067 2.57,1068 2.619,1069 2.667,1070 2.55,1071 2.421,1072 3.467,1073 2.413,1074 0.214,1075 0.226,1076 0.334,1077 0.204,1078 0.154,1079 4.288,1080 0.187,1081 4.518,1082 0.183,1083 6.685,1084 0.533,1085 4.089,1086 0.154,1087 3.09,1088 3.734,1089 3.656,1090 10.662,1091 3.087,1092 1.941,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.802,1102 1.006,1103 1.829,1104 1.437,1105 1.362,1106 1.692,1107 1.683,1108 0.999,1109 1.685,1110 1.337,1111 1.296,1112 1.449,1113 1.545,1114 0.556,1115 1.561,1116 1.03,1117 0.998,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.185,1126 0.369,1127 1.215,1128 0.886,1129 0.804,1130 1.142,1131 1.062,1132 0.218,1133 1.107,1134 0.689,1135 0.67,1136 0.89,1137 0.891,1139 0.911,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.088,1151 5.89,1155 1.733,1156 2.914,1158 1.594,1159 0.036,1164 22.987,1165 61.327,1166 125.098,1167 152.608,1168 156.608,1169 156.608,1170 156.608,1171 36.414,1172 5.922,1173 41.46,1174 66.76,1175 11,1176 11.889,1177 3.17,1178 2.585,1179 33.464,1180 51,1181 55,1182 0.315,1183 152.688,1184 266.45,1185 364.319,1186 2133,1187 2.8,1188 13.828,1189 0.728,1190 0.663,1191 14.682,1192 12.592,1193 9.075,1194 0.454,1195 0.384,1196 6.38,1197 8.097,1198 6.019,1199 5.025,1200 9.818,1201 7.676,1202 8.205,1203 0.304,1204 0.234,1205 9.223,1206 6.318,1207 6.212,1208 0.188,1209 0.125,1210 7.117,1211 4.137,1212 5.266,1213 0.128,1214 0.072,1215 6.056,1216 2.96,1217 3.233,1218 0.081,1219 0.037,1220 3.739,1221 1.496,1222 0.476,1223 63.609,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 268.777,1229 138.959,1230 311.609,1231 406.45,1232 290,1233 107,1234 249.922,1235 139.396,1236 275.792,1237 401.37,1238 259,1239 5.678}
{0 CHEMBL593121,1 1.818,2 8.4,3 3.837,4 14.725,5 80.564,6 8.881,7 0.286,8 3.637,9 3.739,10 3.398,11 3.278,12 4.778,13 3.211,14 4.164,15 4.315,16 3.802,17 3.656,18 5.326,19 3.561,20 4.396,21 4.576,22 3.75,23 3.717,24 5.536,25 3.613,26 4.452,27 4.674,28 3.716,29 3.681,30 5.625,31 3.577,32 4.455,33 4.652,34 3.62,35 3.673,36 5.652,37 3.567,38 4.446,39 4.681,40 3.685,41 3.684,42 5.598,43 3.506,44 4.254,45 4.474,46 3.636,47 3.551,48 5.37,49 3.358,50 3.951,51 4.121,52 3.075,53 3.217,54 5.155,55 3.024,56 0.045,57 0.489,58 5.821,59 3.344,60 7.185,61 3.959,62 0.221,63 0.807,64 15.314,65 6.097,66 27.834,67 7.393,68 0.299,69 0.906,70 20.922,71 7.455,72 46.643,73 8.721,74 0.362,75 0.947,76 22.797,77 7.847,78 45.15,79 9.911,80 0.405,81 0.968,82 19.883,83 7.32,84 64.254,85 8.303,86 0.409,87 0.943,88 24.775,89 8.632,90 75.797,91 10.366,92 0.392,93 0.808,94 29.191,95 8.076,96 47.219,97 8.573,98 0.232,99 0.509,100 20.665,101 5.566,102 29.861,103 6.146,104 27,105 29,106 0.337,107 0.669,108 0.784,109 0.805,110 0.805,111 0.805,112 3.058,113 1.092,114 -4.26,115 -4.2,116 -3.97,118 40,119 2,121 2,124 1,131 4,132 1,133 1,142 2,143 1,154 8,156 1,157 2,159 2,161 2,162 12,166 3,170 2,171 10,174 1,175 6,178 1,179 4,181 8,185 4,188 2,190 7,193 1,194 5,198 5,201 5,205 1,207 4,211 4,219 3,221 1,224 532,225 12.93,226 12.93,227 12.93,228 12.93,229 12.93,230 11.687,231 12.023,232 7.577,233 13.324,234 10.334,235 10.334,236 10.334,237 10.334,238 10.334,239 8.363,240 11.343,241 3.585,242 11.018,243 3.312,244 1.521,245 0.9,246 0.786,247 0.786,248 0.786,249 3.707,250 1,252 1,253 1,254 345,255 3.464,258 63.687,259 72.995,261 1.24,262 24.404,264 1,265 1,266 1,267 1,268 1,269 0.5,270 1,271 1,272 0.93,273 43.333,274 168,275 4.292,276 4.587,277 6.686,278 4.09,279 3.091,280 3.735,281 3.891,282 10.663,283 3.087,284 4.04,285 3.806,286 5.592,287 3.599,288 2.691,289 3.395,290 1.993,291 7.683,292 2.45,293 3.782,294 3.435,295 5.216,296 3.348,297 2.415,298 3.108,299 1.828,300 6.428,301 2.243,302 3.333,303 2.968,304 4.884,305 2.975,306 1.996,307 2.522,308 0.851,309 5.519,310 1.923,311 3.101,312 2.807,313 4.71,314 2.761,315 1.808,316 2.179,317 0.243,318 4.903,319 1.647,320 2.897,321 2.682,322 4.414,323 2.532,324 1.56,325 1.887,326 4.068,327 1.466,328 2.5,329 1.935,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 1.898,337 1.12,338 3.279,339 1.531,340 0.731,341 0.796,342 1.735,343 0.57,344 1.547,345 1,346 3.162,347 1.284,348 0.325,349 0.373,350 0.826,351 0.292,352 1.154,353 0.936,354 2.535,355 0.659,356 -0.29,357 -0.353,358 -0.723,359 -0.224,360 0.885,361 0.696,362 2,363 0.438,364 -0.484,365 -0.632,366 -1.135,367 -0.426,368 0.61,369 0.254,370 1.936,371 0.186,372 -0.843,373 -1,374 -2,375 -0.802,376 0.5,377 -0.051,378 1.611,380 -1,381 -1.187,383 -2.006,384 -1,386 -0.585,387 1.586,389 -1,390 -1.5,392 -3,393 -1,394 -0.061,395 -0.89,396 1.559,397 -0.419,398 -1.302,399 -1.554,401 -3.126,402 -1.037,403 10.014,404 0.501,405 0.617,406 0.031,407 22.75,408 1.138,409 10.5,410 0.525,411 12.25,412 0.613,413 18.1,414 0.905,415 21.786,416 0.622,417 14.721,418 0.736,419 4.033,420 0.202,421 5.436,422 0.272,423 0.238,425 0.35,429 0.603,430 1.172,431 0.626,432 0.86,433 0.543,434 0.879,435 0.425,436 1.141,437 0.783,438 1.066,439 0.491,440 0.947,441 1.061,442 1.103,443 0.929,444 1.012,445 1.088,446 1.06,447 0.71,448 0.978,449 0.67,450 0.857,451 0.714,452 0.907,453 1.396,454 0.975,455 0.807,456 0.84,457 1.511,458 1.016,459 0.77,460 0.948,461 0.827,462 0.863,463 0.749,464 0.93,465 0.816,466 0.987,467 1.53,468 1.378,469 0.603,470 1.032,471 1.457,472 1.225,473 2.072,474 1.647,475 1.138,476 1.603,477 5,478 0.049,479 2.222,480 2.069,481 0.942,482 0.761,483 0.507,484 0.254,485 0.128,486 0.057,487 3394,488 12450,489 1.938,490 42.9,491 7,492 6,495 1,496 1,499 1.621,500 1.765,501 3.033,502 -0.222,504 1,506 1,507 63.619,508 1.818,509 3.609,510 4.229,511 4.343,512 4.343,513 4.343,514 2.504,515 3.684,516 4.293,517 3.164,518 601.213,519 7.353,520 6146.86,522 1,523 1,524 1,525 179.525,526 1.559,527 4.219,528 0.238,529 0.016,530 0.077,531 0.077,532 0.035,533 0.032,534 0.023,535 0.013,536 0.012,537 0.009,538 0.532,539 0.17,540 1,541 0.932,542 88.119,543 -0.041,544 -0.045,545 0.027,546 0.042,547 -0.041,548 0.024,549 0.24,550 -0.059,551 0.068,552 -0.058,553 0.118,554 0.011,555 -0.126,556 -0.128,557 -0.088,558 -0.119,559 -0.132,560 -0.121,561 0.134,562 -0.038,563 0.096,564 -0.008,565 0.12,566 0.056,567 -0.284,568 0.023,569 -0.123,570 0.004,571 -0.256,572 -0.121,573 0.074,574 -0.007,575 0.097,576 0.122,577 0.099,578 0.08,579 0.043,580 0.085,581 -0.131,582 -0.1,583 0.078,584 0.022,585 -0.309,586 -0.332,587 -0.618,588 -0.577,589 -0.134,590 -0.599,591 1.877,592 5.383,593 0.55,594 13.74,595 1.013,596 1.12,597 3.032,598 9.194,599 0.707,600 3.091,601 3.401,602 3.584,603 3.807,604 3.807,605 3.784,606 3.85,607 3.664,608 3.497,609 3.219,610 4.998,611 0.662,612 310.83,613 3.091,614 4.615,615 5.434,616 6.301,617 7.136,618 8.006,619 8.849,620 9.718,621 10.565,622 11.434,623 5.7,628 1,630 1,633 4,638 2,639 6,648 1,649 35,650 9,651 1,652 21,654 36,655 14,656 6,657 2,658 4,659 2,660 2,661 2,662 1,663 2,671 9,672 5,673 2,674 3,677 2,679 1,680 3,682 1,684 15,685 4,686 1,687 6,688 2,691 2,692 1,693 2,703 1,704 1,709 1,717 2,718 1,719 1,721 2,722 1,724 20,729 1,730 1,732 1,733 2,740 1,741 5.7,744 2,747 11.333,748 6.843,749 4.417,750 2.094,751 1.387,752 1.229,753 0.93,754 4.975,755 7.434,756 3.332,757 3.839,758 4.238,759 4.708,760 5.008,761 5.013,762 5.193,763 5.151,764 4.967,765 5.118,766 0.833,767 27,768 7.405,770 3.121,771 7.997,772 13.862,774 11.157,776 2.497,777 49.944,781 164.795,782 105.463,783 34.796,784 39.149,785 50.29,787 32.22,788 73.244,789 254.234,790 34.796,791 17.65,792 18.91,793 37.905,794 59.699,795 23.472,796 0.693,797 197.015,798 39.149,799 164.795,800 108.04,801 50.29,802 71.368,804 164.795,805 50.29,807 53.346,808 54.694,809 39.149,810 32.22,811 164.795,812 85.086,813 144.612,815 164.795,816 49.908,817 55.555,818 18.011,819 106.224,820 164.795,821 85.086,822 144.612,823 0.585,824 0.327,825 0.176,826 0.083,827 13,828 7,829 0.111,830 4,832 1,833 3.141,834 142.358,836 11,837 80.439,838 1,840 15.237,841 6.53,842 3.925,844 85.086,845 7.235,850 1.537,851 18.011,852 394.493,853 27,856 23.455,858 3.766,859 0.028,860 35.444,861 39.186,862 0.354,863 0.704,864 0.824,865 0.847,866 0.847,867 0.847,868 4.57,869 0.731,870 5.434,871 2.275,872 4.078,873 4.522,874 3.789,875 6.217,876 3.972,877 5.763,878 0.325,879 6.984,880 1.735,881 3.761,882 4.331,883 2.722,884 7.106,885 3.631,886 7.056,887 -0.29,888 8.631,889 0.826,890 5.645,891 6.55,892 6.13,893 10.167,894 5.474,895 8.376,896 -0.484,897 10.336,898 -0.723,899 6.089,900 7.06,901 5.401,902 11.912,903 5.914,904 9.722,905 -0.843,906 12.079,907 -1.135,908 7.495,909 8.83,910 8.737,911 14.513,912 7.297,913 11.086,914 -1,915 13.852,916 -2,917 8.288,918 9.664,919 8.265,920 16.627,921 8.102,922 12.462,923 -1,924 15.648,925 -2.006,926 9.508,927 11.238,928 11.4,929 19.071,930 9.312,931 3.091,932 -1.302,933 17.463,934 -3,935 10.468,936 12.246,937 11.157,938 21.338,939 10.289,940 2.691,941 10.663,942 19.294,943 -3.126,944 11.615,945 13.715,946 14.077,947 23.729,948 11.437,949 2.415,950 7.683,951 21.138,952 3.735,953 12.655,954 14.827,955 14.025,956 26.056,957 12.494,958 1.996,959 6.428,960 22.993,961 3.395,962 13.776,963 16.235,964 16.759,965 28.43,966 13.621,967 1.808,968 5.519,969 24.856,970 3.108,971 14.854,972 17.412,973 16.866,974 30.78,975 14.714,976 1.56,977 4.903,978 26.727,979 2.522,980 15.968,981 18.783,982 19.444,983 33.148,984 15.837,985 1,986 4.068,987 28.603,988 2.179,989 17.066,990 20.003,991 19.685,992 35.508,993 16.946,994 3490,995 6798,996 13.235,997 24.756,998 31.638,999 34.933,1000 33,1001 31.267,1002 31.236,1003 38.993,1004 17.613,1005 88.2,1006 29.356,1007 5.242,1008 6.587,1009 6.1,1010 5.189,1011 5.091,1012 6.735,1013 7.607,1014 17.402,1015 5.087,1016 11.931,1017 1.507,1018 1.663,1019 1.571,1020 1.489,1021 1.487,1022 1.857,1023 0.839,1024 4.2,1025 1.398,1026 3.97,1027 3.996,1028 4.047,1029 3.909,1030 7.433,1031 3.901,1032 3.754,1033 3.78,1034 3.987,1035 3.648,1036 7.426,1037 3.615,1038 3.629,1039 3.676,1040 3.645,1041 3.523,1042 4.938,1043 3.501,1044 3.3,1045 3.345,1046 3.223,1047 3.065,1048 4.556,1049 3.081,1050 2.894,1051 3.009,1052 3.17,1053 2.755,1054 4.348,1055 2.755,1056 2.874,1057 2.943,1058 2.885,1059 2.735,1060 4.123,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.618,1066 3.674,1067 2.57,1068 2.624,1069 2.667,1070 2.554,1071 2.419,1072 3.578,1073 2.425,1074 0.204,1075 0.218,1076 0.318,1077 0.195,1078 0.147,1079 4.292,1080 0.178,1081 4.587,1082 0.185,1083 6.686,1084 0.508,1085 4.09,1086 0.147,1087 3.091,1088 3.735,1089 3.891,1090 10.663,1091 3.087,1092 1.941,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.802,1102 0.999,1103 1.828,1104 1.383,1105 1.346,1106 1.528,1107 1.665,1108 0.791,1109 1.62,1110 1.33,1111 1.296,1112 1.445,1113 1.532,1114 0.541,1115 1.541,1116 1.026,1117 0.997,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.184,1126 0.242,1127 1.209,1128 0.886,1129 0.804,1130 1.127,1131 1.062,1132 0.218,1133 1.107,1134 0.682,1135 0.669,1136 0.799,1137 0.887,1139 0.889,1140 3.761,1142 5.069,1143 2.398,1144 6.547,1145 4.595,1146 8.105,1147 6.529,1148 9.708,1150 3.96,1151 5.869,1155 0.295,1156 2.724,1158 1.253,1159 -0.176,1164 23.175,1165 63.619,1166 126.306,1167 148.015,1168 152.015,1169 152.015,1170 152.015,1171 45.392,1172 6.047,1173 58.53,1174 83.83,1175 11,1176 11.982,1177 3.322,1178 2.807,1179 36.263,1180 57,1181 60,1182 0.307,1183 153.757,1184 272.6,1185 366.927,1186 2528,1187 2.9,1188 14.698,1189 0.735,1190 0.64,1191 15.552,1192 12.794,1193 9.469,1194 0.451,1195 0.364,1196 6.334,1197 8.453,1198 5.976,1199 4.996,1200 10.212,1201 7.641,1202 8.839,1203 0.305,1204 0.216,1205 9.824,1206 6.262,1207 6.54,1208 0.187,1209 0.116,1210 7.529,1211 4.077,1212 5.559,1213 0.126,1214 0.065,1215 6.436,1216 2.854,1217 3.581,1218 0.081,1219 0.035,1220 4.237,1221 1.548,1222 0.468,1223 66.503,1224 0.275,1225 19.795,1226 0.88,1227 100,1228 328.513,1229 147.506,1230 365.985,1231 471.65,1232 338,1233 114,1234 292.263,1235 150.449,1236 317.759,1237 461.67,1238 297,1239 4.699}
{0 CHEMBL593203,1 1.49,2 5.714,3 3.304,4 10.917,5 55.895,6 7.877,7 0.429,8 3.349,9 3.451,10 2.931,11 2.939,12 4.512,13 2.883,14 3.851,15 4.013,16 3.301,17 3.313,18 5.077,19 3.222,20 4.147,21 4.337,22 3.352,23 3.469,24 5.221,25 3.348,26 4.261,27 4.494,28 3.289,29 3.392,30 5.442,31 3.278,32 4.178,33 4.372,34 2.965,35 3.183,36 5.49,37 3.071,38 3.947,39 4.248,40 2.64,41 2.889,42 4.879,43 2.652,44 3.299,45 3.593,46 2.754,47 2.279,48 4.612,49 2.06,50 2.235,51 2.373,52 1.007,53 1.459,54 3.394,55 1.102,56 0.031,57 0.32,58 5.306,59 2.734,60 8.496,61 3.422,62 0.144,63 0.507,64 10.254,65 4.594,66 37.159,67 6.003,68 0.155,69 0.64,70 16.484,71 6.113,72 36.729,73 7.838,74 0.186,75 0.685,76 19.165,77 6.539,78 37.992,79 8.532,80 0.379,81 0.592,82 16.22,83 5.289,84 76.334,85 6.233,86 0.205,87 0.455,88 16.073,89 4.808,90 39.068,91 6.478,92 0.247,93 0.194,94 11.953,95 2.627,96 34.747,97 3.401,98 0.117,99 0.018,100 9.189,101 1.152,102 13.39,103 1.181,104 31,105 19,106 0.301,107 0.646,108 0.739,109 0.769,110 0.769,111 0.769,112 2.733,113 1.046,114 -4.46,115 -4.39,116 -4.13,118 40.7,119 2,121 2,131 4,132 1,133 1,142 1,151 1,153 1,154 8,155 1,157 1,159 1,161 1,162 12,163 2,166 2,170 2,171 10,172 4,175 4,179 4,181 7,182 2,185 2,188 2,190 5,198 1,199 1,201 1,205 1,207 2,224 180,225 8.759,226 8.759,227 8.759,228 8.759,229 8.759,230 7.825,231 7.976,232 5.125,233 8.901,234 6.858,235 6.858,236 6.858,237 6.858,238 6.858,239 5.516,240 8.288,241 2.364,242 7.139,243 3.265,244 1.556,245 1.093,246 0.945,247 0.945,248 0.945,249 3.335,250 1,253 1,254 152,255 3.162,259 48.229,261 1.041,262 17.287,265 1,266 1,267 1,268 1,269 1,270 1,271 1,272 1,273 30.333,274 80,275 4.261,276 3.829,277 6.648,278 4.059,279 3.06,280 3.726,281 2.397,282 10.477,283 3.053,284 3.781,285 2.965,286 5.196,287 3.341,288 2.414,289 3.117,290 0.242,291 6.366,292 2.221,293 3.23,294 2.72,295 4.787,296 2.769,297 1.828,298 2.435,300 5.085,301 1.722,302 2.919,303 1.935,304 4.414,305 2.738,306 1.732,307 1.925,309 4,310 1.632,311 2.5,312 1,313 3.414,314 2,315 1,316 1.5,318 2.275,319 1,320 1.536,321 0.932,322 2.955,323 1.255,324 0.292,325 0.339,326 0.693,327 0.26,328 0.887,329 0.484,330 2,331 0.446,332 -0.414,333 -0.493,334 -0.957,335 -0.288,336 0.5,337 0.111,338 2,340 -1,341 -1,342 -2,343 -0.958,344 0.399,345 -0.811,346 1.586,348 -1,349 -1.333,350 -2,351 -1,353 -1,354 1.557,355 -0.012,356 -1,357 -1.5,358 -3,359 -1,360 -0.076,361 -1,362 1,363 -0.563,364 -1.31,365 -1.563,366 -3.137,367 -1.043,368 -0.5,369 -1.35,370 1,371 -0.738,372 -1.732,373 -1.893,374 -5.275,375 -1.742,376 -0.697,377 -1.634,378 0.857,379 -0.895,380 -1.869,381 -2.259,382 -1.007,383 -6,384 -1.857,385 -0.74,386 -2,387 0.586,388 -1,389 -2,390 -3,391 -1.633,392 -6.528,393 -2,403 6.881,404 0.491,405 0.48,406 0.034,407 15.25,408 1.089,409 7.5,410 0.536,411 7.75,412 0.554,413 11.136,414 0.795,415 15.919,416 0.59,417 9.321,418 0.666,419 2.901,420 0.207,421 3.618,422 0.258,423 0.346,425 0.363,429 0.696,430 1.099,431 0.642,432 0.937,433 0.734,434 0.953,435 0.368,436 1.067,437 0.613,438 0.917,439 0.365,440 0.94,441 0.846,442 1.126,443 0.956,444 1.08,445 0.876,446 1.088,447 0.866,448 1.071,449 0.755,450 1.008,451 0.839,452 0.941,453 1.93,454 1.055,455 0.941,456 0.922,457 2.172,458 1.117,459 0.853,460 0.868,461 0.814,462 0.81,463 0.895,464 0.861,465 0.423,466 0.65,467 1.148,468 0.882,469 0.285,470 0.687,471 4.156,472 0.148,473 9.107,474 3.541,475 2.132,476 2.558,477 3.5,479 1.778,480 1.5,481 0.702,482 0.347,483 0.323,487 1040,488 3942,489 1.805,490 48.1,491 7,492 4,495 1,496 1,499 1.514,500 1.615,501 2.532,502 -0.235,506 1,507 40.222,508 1.49,509 3.199,510 3.662,511 3.81,512 3.81,513 3.81,514 1.959,515 2.664,516 3.779,517 2.647,518 240.863,519 6.323,520 1896.93,522 1,525 128.382,526 1.577,527 3.673,528 0.25,530 0.094,531 0.079,532 0.039,533 0.032,534 0.054,538 0.547,539 0.83,540 1,541 1.475,542 52.334,543 -0.064,544 0.066,545 -0.016,546 0.058,547 -0.098,548 0.03,549 0.232,550 0.02,551 0.1,552 0.065,553 0.251,554 0.052,555 -0.076,556 -0.107,557 -0.093,558 -0.105,559 -0.094,560 -0.112,561 0.002,562 -0.113,563 0.044,564 -0.086,565 0.074,566 0.015,567 -0.405,568 -0.107,569 -0.256,570 -0.071,571 -0.431,572 -0.268,573 -0.013,574 -0.001,575 0.127,576 0.109,577 -0.066,578 0.109,579 0.657,580 0.121,581 0.581,582 0.181,583 0.544,584 0.348,585 -1.373,586 0.259,587 -3.02,588 -1.644,589 -0.875,590 -1.309,591 2.456,592 3.993,593 0.429,594 7.265,595 1.006,596 1.121,597 3.227,598 10.411,599 0.67,600 2.708,601 2.996,602 3.135,603 3.296,604 3.219,605 3.045,606 3.045,607 2.197,610 3.685,611 0.628,612 212.69,613 2.708,614 4.205,615 5.004,616 5.861,617 6.681,618 7.541,619 8.368,620 9.227,621 10.059,622 10.915,633 4,638 2,639 6,648 1,649 27,650 7,651 1,652 14,654 27,655 11,656 6,657 2,658 4,660 1,661 1,662 1,663 2,671 7,672 4,673 2,674 1,677 1,680 1,682 1,684 13,685 2,686 1,687 3,688 1,692 1,693 2,704 1,711 1,715 1,717 1,721 2,722 1,724 14,728 1,733 2,740 1,741 7.4,743 1,744 1,747 8.667,748 5.26,749 3.167,750 1.627,751 1.239,752 1.242,753 0.863,754 3.671,755 6.363,756 2.944,757 3.45,758 3.834,759 4.316,760 4.696,761 4.594,762 4.751,763 4.343,766 0.75,767 19,768 5.16,769 0.002,770 2.11,771 8.127,772 9.578,773 0.001,774 7.498,775 0.001,776 2.627,777 36.778,778 0.003,781 141.253,782 63.151,784 39.149,785 67.828,788 63.151,789 248.23,791 17.65,793 37.905,794 68.738,795 6.686,797 141.253,798 39.149,799 141.253,800 63.151,801 67.828,802 39.149,804 141.253,805 67.828,807 17.65,808 45.501,809 39.149,811 141.253,812 67.828,813 102.3,815 141.253,816 7.596,817 55.555,819 106.977,820 141.253,821 67.828,822 102.3,823 0.584,824 0.325,825 0.171,826 0.072,827 8,828 5,829 0.111,830 3,832 1,833 2.45,834 81.016,836 6,837 47.303,840 11.219,841 4.58,842 2.817,844 67.828,845 6.965,850 1.429,851 42.683,852 311.382,853 18,856 10.993,859 -0.79,860 27.164,861 30.269,862 0.313,863 0.673,864 0.77,865 0.801,866 0.801,867 0.801,868 4.151,869 -1,870 5.017,871 -0.957,872 3.664,873 4.127,874 2.35,875 5.808,876 3.598,877 5.348,878 -1,879 6.583,880 -2,881 3.434,882 3.951,883 2.243,884 6.804,885 3.302,886 6.636,887 -1,888 8.255,889 -2,890 5.231,891 6.168,892 3.742,893 9.838,894 5.137,895 7.954,896 -1.31,897 9.987,898 -3,899 5.74,900 6.665,901 4.213,902 11.669,903 5.612,904 9.298,905 -1.732,906 11.759,907 -3.137,908 7.112,909 8.478,910 5.351,911 14.259,912 7.015,913 10.661,914 -1.869,915 13.56,916 -5.275,917 7.953,918 9.29,919 6.05,920 16.417,921 7.847,922 12.038,923 -2,924 15.382,925 -6,926 9.164,927 10.915,928 7.042,929 18.852,930 9.077,931 3.06,933 17.222,934 -6.528,935 10.156,936 11.905,937 7.838,938 21.133,939 10.071,940 2.414,941 10.477,942 19.075,944 11.304,945 13.421,946 8.766,947 23.513,948 11.23,949 1.828,950 6.366,951 20.938,952 3.726,953 12.364,954 14.521,955 9.604,956 25.837,957 12.294,958 1.732,959 5.085,960 22.808,961 3.117,962 13.49,963 15.968,964 10.503,965 28.198,966 13.426,967 1,968 4,969 24.684,970 2.435,971 14.58,972 17.14,973 11.361,974 30.538,975 14.519,976 0.292,977 2.275,978 26.565,979 1.925,980 15.698,981 18.541,982 12.247,983 32.891,984 15.641,985 -0.414,986 0.693,987 28.449,988 1.5,989 16.803,990 19.761,991 13.113,992 35.237,993 16.747,994 1198,995 2383,996 8.266,997 18.097,998 21.026,999 21.549,1000 22.257,1001 20.838,1002 20.652,1003 26.083,1004 5.279,1005 57.793,1006 19.776,1007 5.001,1008 5.829,1009 6.062,1010 5.059,1011 5.06,1012 6.726,1013 4.03,1014 17.005,1015 5.053,1016 9.071,1017 1.502,1018 1.539,1019 1.59,1020 1.488,1021 1.475,1022 1.863,1023 0.377,1024 4.128,1025 1.413,1026 3.959,1027 3.983,1028 4.009,1029 3.902,1030 7.474,1031 3.895,1032 3.649,1033 3.694,1034 3.654,1035 3.535,1036 6.351,1037 3.523,1038 3.282,1039 3.298,1040 3.222,1041 3.03,1042 4.937,1043 3.047,1044 2.874,1045 3.009,1046 3.135,1047 2.735,1048 4.346,1049 2.715,1050 2.854,1051 2.925,1052 2.687,1053 2.67,1054 4.122,1055 2.686,1056 2.835,1057 2.846,1058 2.499,1059 2.618,1060 3.674,1061 2.57,1062 2.274,1063 2.37,1064 2.32,1065 1.945,1066 3.467,1067 1.936,1068 1.983,1069 2.035,1070 1.859,1071 1.435,1072 3.266,1073 1.41,1074 0.304,1075 0.273,1076 0.475,1077 0.29,1078 0.219,1079 4.261,1080 0.266,1081 3.829,1082 0.171,1083 6.648,1084 0.748,1085 4.059,1086 0.218,1087 3.06,1088 3.726,1089 2.397,1090 10.477,1091 3.053,1092 1.938,1093 1.916,1094 2.056,1095 2.022,1096 1.312,1097 2.037,1098 1.649,1099 1.601,1100 1.868,1101 1.795,1102 0.999,1103 1.825,1104 1.164,1105 1.138,1106 1.417,1107 1.47,1108 0.485,1109 1.424,1110 0.934,1111 0.821,1112 1.354,1113 1.239,1114 0.469,1115 1.308,1116 0.886,1117 0.804,1118 1.181,1119 1.062,1120 0.218,1121 1.107,1122 0.724,1123 0.718,1124 0.879,1125 0.955,1127 0.955,1128 0.224,1129 0.126,1130 0.687,1131 0.601,1133 0.644,1136 0.425,1137 0.358,1139 0.345,1140 3.367,1142 4.654,1144 6.133,1146 7.704,1148 9.319,1150 3.792,1151 5.728,1154 9.033,1159 -0.374,1164 16.945,1165 40.222,1166 86.382,1167 98.872,1168 102.872,1169 102.872,1170 102.872,1171 31.69,1172 5.124,1173 37.3,1174 37.3,1175 6,1176 11.473,1177 3,1178 2.322,1179 27.704,1180 30,1181 30,1182 0.488,1183 113.509,1184 197.83,1185 268.721,1186 666,1187 3.7,1188 10.715,1189 0.765,1190 0.64,1191 11.215,1192 8.953,1193 6.52,1194 0.466,1195 0.349,1196 4.504,1197 6.069,1198 4.269,1199 3.614,1200 6.808,1201 4.881,1202 6.085,1203 0.32,1204 0.213,1205 6.494,1206 4.048,1207 4.144,1208 0.188,1209 0.11,1210 4.433,1211 2.414,1212 3.529,1213 0.136,1214 0.062,1215 3.696,1216 1.609,1217 2.056,1218 0.086,1219 0.035,1220 2.27,1221 0.849,1222 0.711,1223 43.449,1224 0.348,1225 13.954,1226 1.498,1227 66,1228 212.089,1229 85.948,1230 234.959,1231 293.34,1232 214,1233 74,1234 176.529,1235 87.081,1236 189.98,1237 271.48,1238 177,1239 4}
{0 CHEMBL593344,1 1.842,2 8.381,3 4.256,4 18.112,5 90.897,6 10.48,7 0.5,8 3.683,9 3.786,10 3.592,11 3.373,12 4.785,13 3.283,14 4.202,15 4.358,16 4.233,17 3.794,18 5.27,19 3.669,20 4.458,21 4.616,22 4.016,23 3.895,24 5.527,25 3.752,26 4.692,27 4.958,28 3.951,29 3.86,30 5.734,31 3.728,32 4.574,33 4.76,34 3.853,35 3.843,36 5.779,37 3.722,38 4.6,39 4.849,40 4.051,41 3.878,42 5.568,43 3.673,44 4.405,45 4.635,46 4.001,47 3.775,48 5.444,49 3.54,50 4.024,51 4.181,52 3.921,53 3.523,54 5.07,55 3.238,56 0.026,57 0.494,58 3.618,59 3.364,60 5.569,61 4.187,62 0.172,63 0.82,64 21.761,65 6.739,66 20.957,67 7.846,68 0.181,69 0.979,70 21.34,71 8.336,72 31.123,73 9.873,74 0.343,75 1.197,76 36.432,77 11.317,78 47.75,79 14.205,80 0.412,81 1.112,82 21.454,83 8.515,84 67.086,85 8.971,86 0.302,87 1.124,88 30.736,89 10.901,90 45.744,91 13.007,92 0.395,93 0.984,94 41.707,95 10.811,96 42.026,97 10.781,98 0.215,99 0.528,100 26.683,101 6.997,102 24.882,103 7.55,104 38,105 32,106 0.336,107 0.667,108 0.728,109 0.748,110 0.748,111 0.748,112 3.103,113 1.15,114 -5.41,115 -5.29,116 -4.94,117 1,118 40.5,119 3,121 1,122 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,157 2,159 2,161 2,162 16,166 3,170 2,171 11,174 1,175 7,179 6,181 10,185 4,188 2,190 9,194 6,198 7,201 3,205 1,207 7,215 5,219 1,221 3,224 615,225 13.195,226 13.195,227 13.195,228 13.195,229 13.195,230 11.668,231 14.519,232 7.599,233 13.856,234 10.849,235 10.849,236 10.849,237 10.849,238 10.849,239 8.602,240 18.844,241 3.627,242 12.09,243 3.368,244 1.556,245 1.224,246 1.116,247 1.116,248 1.116,249 3.749,250 1,253 1,254 360,255 3.873,258 67.77,259 77.424,261 1.197,262 19.481,265 0.75,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.86,273 44.083,274 176,275 4.512,276 3.904,277 7.378,278 4.432,279 3.431,280 3.816,281 1.987,282 12.793,283 3.433,284 4.092,285 3.13,286 5.747,287 3.572,288 2.718,289 3.701,290 0.324,291 7.899,292 2.497,293 3.905,294 2.951,295 5.565,296 3.494,297 2.552,298 3.309,300 7.476,301 2.288,302 3.529,303 2.916,304 5.142,305 3.175,306 2.25,307 2.671,309 6.211,310 1.984,311 3.299,312 2.406,313 4.877,314 2.85,315 1.956,316 2.538,318 5.502,319 1.676,320 2.998,321 2.221,322 4.538,323 2.464,324 1.608,325 2.128,326 4.506,327 1.24,328 2.5,329 1.058,330 3.602,331 2,332 1,333 1.5,334 2.275,335 1,336 2.207,337 1,338 3.414,339 1.568,340 0.735,341 1.069,342 1.753,343 0.583,344 1.646,345 0.86,346 3.269,347 1.349,348 0.396,349 0.464,350 1.116,351 0.354,352 1.022,353 0.442,354 2.633,355 0.584,356 -0.288,357 -0.346,358 -0.719,359 -0.194,360 0.904,361 0.216,362 2.493,363 0.439,364 -0.474,365 -0.608,366 -1.141,367 -0.309,368 0.5,369 -0.131,370 2,372 -0.843,373 -1,374 -2.006,375 -0.536,376 0.413,377 -0.719,378 2,380 -1,381 -1,383 -3,384 -1,385 0.003,386 -1,387 2,389 -1,390 -1.031,392 -3,393 -1,395 -1,396 1.754,397 -0.233,398 -1,399 -1.5,401 -3,402 -1,403 11.514,404 0.548,405 0.816,406 0.039,407 24.5,408 1.167,409 12,410 0.571,411 12.5,412 0.595,413 22.661,414 1.079,415 22.086,416 0.597,417 13.861,418 0.66,419 4.09,420 0.195,421 5.68,422 0.27,423 0.337,424 0.043,425 0.261,429 0.627,430 1.13,431 0.508,432 0.732,433 0.601,434 0.819,435 0.447,436 0.963,437 0.448,438 0.668,439 0.501,440 0.727,441 0.992,442 1.321,443 0.783,444 1.12,445 1.116,446 1.249,447 0.637,448 0.882,449 0.274,450 0.638,451 0.775,452 0.7,453 1.877,454 0.979,455 0.578,456 0.776,457 2.45,458 1.023,459 0.72,460 0.959,461 0.457,462 0.746,463 0.874,464 0.862,465 0.832,466 0.946,467 0.996,468 1.238,469 0.442,470 0.938,471 1.629,472 1.132,473 1.891,474 1.576,475 1.013,476 1.605,477 6.5,478 0.049,479 2.667,480 2.569,481 1.182,482 0.899,483 0.655,484 0.326,485 0.128,486 0.057,487 3725,488 13944,489 1.904,490 43.2,491 9,492 4,494 1,495 1,496 1,499 1.637,500 1.714,501 2.993,502 -0.244,504 1,507 68.146,508 1.842,509 3.653,510 3.986,511 4.094,512 4.094,513 4.094,514 2.475,515 3.844,516 4.363,517 3.15,518 661.552,519 7.504,520 6956.59,522 1,524 1,525 192.75,526 1.772,527 4.266,528 0.295,529 0.016,530 0.083,531 0.089,532 0.038,533 0.033,534 0.026,535 0.015,536 0.011,537 0.009,538 0.616,539 0.33,540 1,541 0.935,542 93.665,543 -0.039,544 -0.037,545 0.003,546 0.033,547 -0.074,548 0.021,549 0.243,550 0.092,551 0.184,552 0.191,553 0.139,554 0.181,555 -0.108,556 -0.344,557 -0.096,558 -0.301,559 -0.149,560 -0.355,561 0.235,562 0.024,563 0.146,564 0.142,565 0.254,566 0.269,567 -0.434,568 0.054,569 -0.086,570 -0.017,571 -0.432,572 -0.195,573 0.09,574 -0.018,575 0.117,576 0.141,577 0.013,578 0.126,579 0.055,580 0.174,581 -0.058,582 -0.02,583 0.172,584 0.104,585 -0.425,586 -0.262,587 -0.246,588 -0.399,589 -0.314,590 -0.555,591 1.73,592 5.661,593 0.524,594 14.245,595 1.006,596 1.114,597 4.176,598 17.439,599 0.741,600 3.135,601 3.497,602 3.638,603 3.892,604 3.871,605 3.871,606 3.97,607 3.784,608 3.584,609 3.219,610 4.993,611 0.676,612 387.75,613 3.135,614 4.691,615 5.509,616 6.405,617 7.242,618 8.14,619 8.986,620 9.884,621 10.735,622 11.632,623 5.4,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 37,650 12,651 1,652 22,653 1,654 38,655 15,656 9,657 2,658 4,660 2,661 2,662 1,663 3,664 1,671 10,672 5,673 1,674 1,677 1,680 1,682 1,684 16,685 3,686 1,687 6,688 3,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,720 1,721 3,722 1,724 21,730 1,733 1,735 1,737 1,740 2,741 2.7,744 1,747 12.25,748 7.569,749 4.472,750 2.077,751 1.693,752 1.277,753 0.932,754 5.31,755 7.814,756 3.384,757 3.966,758 4.384,759 4.923,760 5.149,761 5.18,762 5.474,763 5.44,764 5.388,765 5.497,766 0.833,767 29,768 7.755,770 3.23,771 7.791,772 14.713,774 11.874,776 2.291,777 48.111,781 176.567,782 117.825,783 80.75,784 39.149,785 25.145,787 31.278,788 132.502,789 240.86,790 34.796,791 26.476,792 18.011,793 37.905,794 58.406,795 17.462,797 242.027,798 39.149,799 176.567,800 121.344,801 25.145,802 70.426,803 45.954,804 176.567,805 25.145,807 55.262,808 49.296,809 55.934,810 77.232,811 176.567,812 59.941,813 202.928,815 176.567,816 44.397,817 73.428,818 63.965,819 81.079,820 176.567,821 59.941,822 202.928,823 0.599,824 0.32,825 0.171,826 0.08,827 15,828 8,829 0.105,830 4,832 1,833 3.156,834 155.653,836 11,837 83.484,838 1,840 16.755,841 6.655,842 4.428,844 59.941,845 9.089,846 4.147,849 1.394,850 3.086,851 18.011,852 439.436,853 28.5,856 12.661,859 -0.063,860 37.229,861 41.233,862 0.354,863 0.701,864 0.765,865 0.786,866 0.786,867 0.786,868 4.642,869 0.735,870 5.572,871 2.275,872 4.174,873 4.649,874 2.076,875 6.431,876 4.017,877 5.884,878 0.396,879 7.175,880 1.753,881 4.111,882 4.575,883 1.593,884 7.692,885 3.923,886 7.212,887 -0.288,888 8.893,889 1.116,890 5.878,891 6.772,892 3.1,893 10.709,894 5.671,895 8.57,896 -0.474,897 10.682,898 -0.719,899 6.553,900 7.379,901 3.168,902 12.796,903 6.372,904 9.952,905 -0.843,906 12.519,907 -1.141,908 7.92,909 9.134,910 4.312,911 15.473,912 7.738,913 11.353,914 -1,915 14.393,916 -2.006,917 8.906,918 10.057,919 4.654,920 17.865,921 8.762,922 12.769,923 -1,924 16.296,925 -3,926 10.155,927 11.615,928 5.601,929 20.452,930 10.021,931 3.431,932 -1,933 18.221,934 -3,935 11.276,936 12.706,937 6.091,938 22.949,939 11.173,940 2.718,941 12.793,942 20.163,943 -3,944 12.494,945 14.162,946 6.927,947 25.51,948 12.406,949 2.552,950 7.899,951 22.118,952 3.816,953 13.674,954 15.348,955 7.5,956 28.041,957 13.607,958 2.25,959 7.476,960 24.084,961 3.701,962 14.89,963 16.749,964 8.273,965 30.594,966 14.836,967 1.956,968 6.211,969 26.058,970 3.309,971 16.096,972 17.99,973 8.894,974 33.137,975 16.056,976 1.608,977 5.502,978 28.038,979 2.671,980 17.316,981 19.359,982 9.631,983 35.687,984 17.285,985 1,986 4.506,987 30.022,988 2.538,989 18.534,990 20.632,991 10.279,992 38.233,993 18.513,994 3848,995 7596,996 13.523,997 27.415,998 34.058,999 34.868,1000 34.701,1001 33.526,1002 33.289,1003 42.391,1004 4.622,1005 99.062,1006 30.106,1007 5.406,1008 5.904,1009 6.792,1010 5.552,1011 5.431,1012 6.816,1013 3.497,1014 20.42,1015 5.433,1016 13.308,1017 1.548,1018 1.585,1019 1.577,1020 1.524,1021 1.513,1022 1.927,1023 0.21,1024 4.503,1025 1.368,1026 3.986,1027 4.012,1028 6.885,1029 3.929,1030 7.428,1031 3.916,1032 3.803,1033 3.821,1034 4.11,1035 3.825,1036 4.94,1037 3.729,1038 3.687,1039 3.733,1040 4.004,1041 3.602,1042 4.852,1043 3.583,1044 3.308,1045 3.342,1046 3.689,1047 3.103,1048 4.387,1049 3.116,1050 2.874,1051 3.009,1052 3.282,1053 2.755,1054 4.199,1055 2.741,1056 2.874,1057 3.009,1058 3.152,1059 2.735,1060 3.819,1061 2.715,1062 2.863,1063 2.925,1064 2.687,1065 2.618,1066 3.674,1067 2.57,1068 2.854,1069 2.901,1070 2.597,1071 2.618,1072 3.495,1073 2.57,1074 0.205,1075 0.177,1076 0.335,1077 0.201,1078 0.156,1079 4.512,1080 0.173,1081 3.904,1082 0.09,1083 7.378,1084 0.581,1085 4.432,1086 0.156,1087 3.431,1088 3.816,1089 1.987,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.708,1099 1.665,1100 1.898,1101 1.834,1102 1.021,1103 1.863,1104 1.381,1105 1.376,1106 1.476,1107 1.639,1108 0.589,1109 1.607,1110 1.34,1111 1.306,1112 1.417,1113 1.415,1114 0.512,1115 1.439,1116 1.042,1117 1.019,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.329,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.804,1130 1.181,1131 1.123,1132 0.294,1133 1.181,1134 0.886,1135 0.804,1136 1.046,1137 1.062,1138 0.218,1139 1.107,1140 3.807,1142 5.153,1143 2.398,1144 6.663,1145 4.595,1146 8.252,1147 6.529,1148 9.888,1149 3.342,1150 6.136,1151 5.929,1156 2.888,1159 -0.28,1161 -0.216,1164 25.012,1165 68.146,1166 135.166,1167 147.466,1168 151.466,1169 151.466,1170 151.466,1171 45.647,1172 6.12,1173 41.99,1174 70.23,1175 11,1176 12.165,1177 3.7,1178 2.907,1179 39.023,1180 59,1181 66,1182 0.316,1183 171.267,1184 289.49,1185 409.651,1186 2705,1187 5.4,1188 15.621,1189 0.744,1190 0.721,1191 17.475,1192 15.142,1193 9.77,1194 0.444,1195 0.383,1196 6.552,1197 8.416,1198 6.069,1199 5.114,1200 11.044,1201 8.436,1202 9.909,1203 0.31,1204 0.27,1205 12.093,1206 8.656,1207 6.69,1208 0.181,1209 0.127,1210 8.276,1211 4.683,1212 5.882,1213 0.123,1214 0.071,1215 7.415,1216 3.425,1217 3.713,1218 0.079,1219 0.042,1220 4.954,1221 1.954,1222 0.479,1223 75.688,1224 0.272,1225 20.53,1226 0.922,1227 108,1228 313.432,1229 241.053,1230 395.698,1231 508.7,1232 364,1233 123,1234 298.694,1235 186.438,1236 346.039,1237 501.66,1238 321,1239 6.155}
{0 CHEMBL593351,1 1.632,2 8.4,3 3.227,4 10.412,5 79.001,6 8.05,7 0.571,8 3.658,9 3.779,10 3.283,11 3.234,12 4.803,13 3.199,14 4.157,15 4.333,16 3.632,17 3.597,18 5.28,19 3.529,20 4.419,21 4.621,22 3.671,23 3.725,24 5.488,25 3.632,26 4.496,27 4.731,28 3.624,29 3.677,30 5.654,31 3.583,32 4.463,33 4.674,34 3.524,35 3.635,36 5.655,37 3.555,38 4.463,39 4.718,40 3.497,41 3.601,42 5.5,43 3.475,44 4.283,45 4.543,46 3.509,47 3.452,48 5.415,49 3.335,50 3.978,51 4.185,52 2.929,53 3.275,54 4.988,55 3.079,56 0.02,57 0.514,58 6.556,59 3.107,60 5.996,61 4.109,62 0.178,63 0.795,64 12.907,65 5.373,66 22.673,67 7.23,68 0.183,69 0.939,70 20.162,71 6.956,72 34.71,73 9.26,74 0.302,75 0.969,76 22.758,77 7.425,78 48.494,79 10.164,80 0.32,81 0.955,82 19.408,83 6.435,84 57.233,85 8.305,86 0.242,87 0.92,88 22.533,89 7.276,90 44.313,91 9.998,92 0.388,93 0.773,94 21.16,95 5.318,96 49.089,97 7.454,98 0.173,99 0.537,100 18.723,101 5.124,102 23.788,103 6.691,104 18,105 28,106 0.299,107 0.635,108 0.748,109 0.787,110 0.787,111 0.787,112 3.058,113 0.97,114 -4.29,115 -4.23,116 -3.99,118 41.7,119 2,121 2,131 5,132 1,133 1,134 2,138 1,142 1,154 8,156 1,157 3,159 3,161 1,162 12,166 2,170 2,171 10,174 2,175 6,179 5,181 7,185 6,188 2,190 5,194 9,198 2,201 5,205 1,207 4,215 4,219 2,221 2,224 534,225 13.19,226 13.19,227 13.19,228 13.19,229 13.19,230 11.557,231 12.875,232 7.943,233 13.496,234 10.351,235 10.351,236 10.351,237 10.351,238 10.351,239 8.004,240 16.869,241 3.764,242 10.89,243 3.538,244 1.702,245 1.087,246 0.875,247 0.875,248 0.875,249 3.712,250 1,252 1,253 1,254 346,255 3.391,259 146.417,261 1.24,262 18.897,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.833,274 168,275 4.288,276 3.818,277 6.685,278 4.09,279 3.089,280 3.738,281 1.987,282 10.662,283 3.088,284 3.929,285 2.971,286 5.444,287 3.468,288 2.544,289 3.471,290 0.324,291 7.222,292 2.35,293 3.748,294 2.752,295 5.18,296 3.306,297 2.386,298 3.107,300 6.35,301 2.182,302 3.26,303 2.506,304 4.807,305 2.811,306 1.844,307 2.485,309 5.18,310 1.788,311 2.972,312 1.935,313 4.562,314 2.759,315 1.779,316 2.073,318 4.374,319 1.642,320 2.812,321 1.519,322 3.592,323 2.354,324 1.375,325 1.866,326 2.981,327 1.338,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.247,339 1.917,340 1,341 1.5,342 2.136,343 0.916,344 1.548,345 0.924,346 3.142,347 1.299,348 0.341,349 0.39,350 0.865,351 0.309,352 1.177,353 0.48,354 2.529,355 0.752,356 -0.202,357 -0.255,358 -0.473,359 -0.169,360 0.885,361 0.193,362 2,363 0.44,364 -0.456,365 -0.578,366 -1.046,367 -0.362,368 0.5,369 -0.567,370 1.936,372 -1,373 -1,374 -2,375 -0.946,376 0.5,377 -0.885,378 1.593,380 -1,381 -1.417,383 -2.258,384 -0.955,385 0.464,386 -1,387 1.559,388 -0.034,389 -1,390 -1.5,392 -2.347,393 -1,395 -1,396 1.555,397 -0.049,398 -1,399 -1.5,401 -3,402 -1,403 9.748,404 0.487,405 0.511,406 0.026,407 26.5,408 1.325,409 14,410 0.7,411 12.5,412 0.625,413 15.141,414 0.757,415 21.452,416 0.596,417 17.251,418 0.863,419 5.069,420 0.253,421 4.506,422 0.225,423 0.21,425 0.308,429 0.66,430 1.339,431 0.625,432 0.993,433 0.591,434 0.935,435 0.491,436 0.966,437 0.668,438 0.926,439 0.545,440 0.941,441 1.069,442 1.154,443 0.98,444 1.072,445 1.104,446 1.048,447 0.929,448 1.019,449 0.813,450 0.973,451 0.997,452 0.932,453 1.691,454 1.029,455 0.87,456 0.927,457 2.079,458 1.031,459 1.046,460 1.081,461 0.814,462 0.929,463 1.169,464 0.937,465 1.08,466 0.722,467 1.042,468 0.74,469 0.761,470 0.814,471 1.242,472 1.091,473 2.211,474 1.62,475 0.855,476 1.55,477 4,478 0.025,479 2,480 1.688,481 1.013,482 0.688,483 0.548,484 0.097,485 0.122,486 0.062,487 3437,488 10894,489 1.966,490 44.4,491 7,492 5,494 2,495 1,496 1,499 1.622,500 1.818,501 3.04,502 -0.271,503 1,504 1,506 1,507 58.759,508 1.632,509 3.468,510 4.083,511 4.295,512 4.295,513 4.295,514 2.504,515 3.622,516 4.293,517 3.165,518 601.264,519 7.354,520 6155.25,521 1,522 1,523 1,524 1,525 186.117,526 1.485,527 4.237,528 0.19,529 0.008,530 0.071,531 0.06,532 0.038,533 0.029,534 0.025,535 0.005,536 0.011,537 0.01,538 0.448,539 0.5,540 1,541 0.897,542 88.143,543 -0.037,544 -0.159,545 0.013,546 -0.041,547 -0.052,548 -0.008,549 0.243,550 0.138,551 0.073,552 0.023,553 0.113,554 0.002,555 -0.117,556 -0.15,557 -0.079,558 -0.104,559 -0.105,560 -0.088,561 0.104,562 -0.064,563 0.041,564 -0.028,565 0.172,566 0.031,567 -0.33,568 -0.02,569 -0.166,570 -0.041,571 -0.309,572 -0.14,573 -0.066,574 -0.159,575 0.064,576 0.022,577 -0.075,578 0.042,579 -0.008,580 0.291,581 0.07,582 0.192,583 0.07,584 0.126,585 -0.307,586 -0.17,587 -0.654,588 -0.515,589 -0.276,590 -0.519,591 1.784,592 5.415,593 0.6,594 13.83,595 1.004,596 1.127,597 3.064,598 9.386,599 0.685,600 3.091,601 3.367,602 3.555,603 3.761,604 3.85,605 3.761,606 3.807,607 3.611,608 3.434,609 3.367,610 5.001,611 0.647,612 289.79,613 3.091,614 4.595,615 5.407,616 6.26,617 7.089,618 7.948,619 8.785,620 9.645,621 10.487,622 11.348,623 8.3,628 1,631 2,633 7,634 2,638 3,639 12,648 1,649 36,650 13,651 1,652 21,654 37,655 15,656 10,657 2,658 4,660 2,661 2,662 1,663 2,671 11,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 16,685 4,686 1,687 5,688 1,691 3,692 1,693 1,700 1,704 2,709 1,717 2,721 2,722 1,724 20,730 1,733 2,740 1,741 2.8,744 1,747 11,748 6.96,749 4.5,750 2.158,751 1.939,752 1.321,753 0.933,754 4.83,755 7.989,756 3.367,757 3.892,758 4.344,759 4.848,760 5.281,761 5.153,762 5.382,763 5.455,764 5.34,765 5.668,766 0.833,767 28,768 7.361,770 3.022,771 7.847,772 13.853,774 10.873,776 2.347,777 46.944,781 176.567,782 96.416,783 51.582,784 39.149,785 25.145,788 96.416,789 240.86,790 51.582,791 17.65,792 18.011,793 47.381,794 86.963,795 24.781,796 1.899,797 153.024,798 39.149,799 176.567,800 147.998,801 25.145,802 39.149,804 176.567,805 25.145,807 55.655,808 58.772,809 72.72,811 176.567,812 76.727,813 135.565,815 176.567,816 13.29,817 83.126,818 18.011,819 97.865,820 176.567,821 76.727,822 135.565,823 0.574,824 0.323,825 0.175,826 0.089,827 12,828 6,829 0.108,830 4,832 1,833 3.172,834 141.222,836 12,837 76.439,840 14.639,841 6.599,842 3.864,844 76.727,845 12.216,846 8.008,850 1.901,851 18.011,852 388.858,853 28,856 12.415,859 -0.117,860 36.142,861 40.555,862 0.316,863 0.671,864 0.79,865 0.831,866 0.831,867 0.831,868 4.564,869 1,870 5.38,871 2.275,872 4.043,873 4.575,874 2.076,875 6.142,876 3.957,877 5.745,878 0.341,879 6.913,880 2.136,881 3.611,882 4.182,883 1.593,884 7.013,885 3.474,886 7.017,887 -0.202,888 8.55,889 0.865,890 5.58,891 6.63,892 3.1,893 10.092,894 5.438,895 8.321,896 -0.456,897 10.252,898 -0.473,899 5.943,900 6.953,901 3.168,902 11.85,903 5.791,904 9.652,905 -1,906 11.997,907 -1.046,908 7.41,909 8.928,910 4.312,911 14.46,912 7.251,913 11.004,914 -1,915 13.775,916 -2,917 8.157,918 9.607,919 4.654,920 16.588,921 8.017,922 12.371,923 -1,924 15.577,925 -2.258,926 9.414,927 11.343,928 5.601,929 19.039,930 9.269,931 3.089,932 -1,933 17.4,934 -2.347,935 10.351,936 12.23,937 6.091,938 21.314,939 10.233,940 2.544,941 10.662,942 19.238,943 -3,944 11.52,945 13.821,946 6.927,947 23.71,948 11.403,949 2.386,950 7.222,951 21.089,952 3.738,953 12.552,954 14.841,955 7.5,956 26.041,957 12.458,958 1.844,959 6.35,960 22.95,961 3.471,962 13.686,963 16.338,964 8.273,965 28.418,966 13.597,967 1.779,968 5.18,969 24.819,970 3.107,971 14.764,972 17.448,973 8.894,974 30.771,975 14.692,976 1.375,977 4.374,978 26.694,979 2.485,980 15.887,981 18.882,982 9.631,983 33.141,984 15.822,985 1,986 2.981,987 28.574,988 2.073,989 16.988,990 20.054,991 10.279,992 35.503,993 16.934,994 3509,995 6349,996 13.523,997 24.659,998 31.113,999 31.984,1000 32.148,1001 30.866,1002 30.719,1003 40.258,1004 4.622,1005 84.09,1006 29.225,1007 5.167,1008 5.818,1009 6.487,1010 5.158,1011 5.089,1012 6.738,1013 3.497,1014 17.39,1015 5.088,1016 10.53,1017 1.482,1018 1.523,1019 1.531,1020 1.47,1021 1.463,1022 1.917,1023 0.22,1024 4.004,1025 1.392,1026 3.974,1027 4.004,1028 4.014,1029 3.908,1030 7.428,1031 3.902,1032 3.817,1033 3.871,1034 3.799,1035 3.644,1036 5.012,1037 3.667,1038 3.639,1039 3.69,1040 3.622,1041 3.527,1042 4.936,1043 3.516,1044 3.311,1045 3.363,1046 3.223,1047 3.083,1048 4.355,1049 3.099,1050 2.906,1051 3.009,1052 3.173,1053 2.781,1054 4.125,1055 2.777,1056 2.874,1057 2.959,1058 2.687,1059 2.735,1060 3.962,1061 2.715,1062 2.854,1063 2.925,1064 2.651,1065 2.618,1066 3.926,1067 2.57,1068 2.679,1069 2.776,1070 2.56,1071 2.457,1072 3.674,1073 2.478,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.288,1080 0.178,1081 3.818,1082 0.095,1083 6.685,1084 0.508,1085 4.09,1086 0.147,1087 3.089,1088 3.738,1089 1.987,1090 10.662,1091 3.088,1092 1.943,1093 1.919,1094 2.06,1095 2.038,1096 1.318,1097 2.046,1098 1.74,1099 1.688,1100 1.87,1101 1.934,1102 0.999,1103 1.914,1104 1.644,1105 1.593,1106 1.845,1107 1.791,1108 0.778,1109 1.823,1110 1.227,1111 1.177,1112 1.417,1113 1.494,1114 0.523,1115 1.473,1116 0.934,1117 0.821,1118 1.411,1119 1.239,1120 0.469,1121 1.308,1122 0.886,1123 0.815,1124 1.181,1125 1.062,1126 0.218,1127 1.107,1128 0.864,1129 0.804,1130 1.057,1131 1.055,1132 0.104,1133 1.075,1134 0.618,1135 0.524,1136 0.921,1137 0.912,1139 0.918,1140 3.761,1142 5.043,1144 6.521,1146 8.084,1148 9.69,1150 4.009,1151 5.885,1156 2.742,1159 -0.115,1164 23.294,1165 58.759,1166 124.856,1167 146.998,1168 154.608,1169 154.608,1170 154.608,1171 37.278,1172 6.05,1173 54.88,1174 54.88,1175 12,1176 11.902,1177 3.807,1178 3,1179 36.239,1180 57,1181 60,1182 0.305,1183 152.089,1184 260.06,1185 362.857,1186 2599,1187 2.8,1188 14.535,1189 0.727,1190 0.607,1191 15.035,1192 12.133,1193 9.575,1194 0.456,1195 0.323,1196 6.377,1197 9,1198 6.118,1199 5.158,1200 9.864,1201 6.788,1202 8.558,1203 0.306,1204 0.188,1205 8.967,1206 5.271,1207 6.462,1208 0.19,1209 0.095,1210 6.75,1211 3.231,1212 5.443,1213 0.13,1214 0.052,1215 5.609,1216 2.187,1217 3.845,1218 0.084,1219 0.028,1220 4.059,1221 1.308,1222 0.466,1223 62.522,1224 0.272,1225 19.837,1226 0.876,1227 98,1228 297.562,1229 121.395,1230 321.589,1231 422.13,1232 298,1233 111,1234 280.682,1235 128.081,1236 295.427,1237 424.87,1238 277,1239 4.276}
{0 CHEMBL593365,1 1.564,2 7.722,3 4.232,4 17.912,5 80.671,6 8.024,7 0.579,8 3.617,9 3.738,10 3.311,11 3.272,12 4.628,13 3.174,14 4.139,15 4.321,16 3.67,17 3.64,18 5.069,19 3.512,20 4.374,21 4.6,22 3.522,23 3.72,24 5.201,25 3.546,26 4.48,27 4.741,28 3.412,29 3.724,30 5.248,31 3.528,32 4.498,33 4.776,34 3.416,35 3.711,36 5.259,37 3.507,38 4.44,39 4.72,40 3.56,41 3.687,42 5.224,43 3.456,44 4.208,45 4.445,46 3.457,47 3.531,48 5.158,49 3.293,50 3.816,51 4.013,52 2.785,53 3.134,54 4.79,55 2.864,56 0.027,57 0.488,58 7.462,59 3.427,60 6.494,61 4.545,62 0.126,63 0.804,64 16.097,65 5.893,66 14.505,67 7.858,68 0.125,69 0.918,70 22.375,71 7.975,72 19.294,73 10.455,74 0.159,75 1.013,76 25.205,77 8.801,78 21.816,79 11.632,80 0.167,81 1.052,82 23.751,83 8.637,84 23.376,85 11.574,86 0.146,87 0.966,88 25.887,89 9.091,90 22.41,91 11.57,92 0.242,93 0.782,94 29.354,95 8.015,96 26.009,97 8.84,98 0.14,99 0.459,100 19.619,101 5.188,102 19.488,103 6.16,104 11,105 25,106 0.291,107 0.642,108 0.787,109 0.808,110 0.808,111 0.808,112 2.96,113 1.154,114 -5.04,115 -4.94,116 -4.63,118 40,119 2,121 2,124 1,131 4,132 1,133 1,134 1,139 1,146 1,154 8,157 1,159 1,161 2,162 12,170 2,171 10,175 1,179 4,181 8,185 2,188 2,190 7,194 4,198 5,201 2,205 1,207 4,219 1,221 1,224 414,225 11.983,226 11.983,227 11.983,228 11.983,229 11.983,230 10.61,231 12.526,232 7.222,233 12.474,234 9.361,235 9.361,236 9.361,237 9.361,238 9.361,239 7.413,240 14.8,241 3.42,242 10.223,243 3.565,244 1.678,245 0.9,246 0.786,247 0.786,248 0.786,249 3.611,250 1,253 1,254 288,255 3.082,258 56.577,259 64.052,261 1.278,262 9.295,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 37.333,274 139,275 4.174,276 3.187,277 6.405,278 3.959,279 2.966,280 3.688,281 0.4,282 9.746,283 2.948,284 3.917,285 2.867,286 5.351,287 3.382,288 2.53,289 3.478,291 6.993,292 2.188,293 3.672,294 2.644,295 5.137,296 3.284,297 2.372,298 2.936,300 6.249,301 2.105,302 3.053,303 1.957,304 4.742,305 2.762,306 1.811,307 2.153,309 4.918,310 1.649,311 2.687,312 1.528,313 3.719,314 2.31,315 1.388,316 1.744,318 3.03,319 1.267,320 2.5,321 1.048,322 3.414,323 2,324 1,325 1.5,326 2.275,327 1,328 2.127,329 1,330 3.353,331 1.892,332 0.947,333 1.088,334 2.209,335 0.879,336 2.118,337 0.618,338 3,339 1.416,340 0.618,341 0.927,342 1.372,343 0.486,344 1.379,345 0.597,346 2.771,347 1.1,348 0.192,349 0.219,350 0.445,351 0.164,352 0.894,353 0.065,354 2.154,355 0.499,356 -0.352,357 -0.419,358 -0.803,359 -0.247,360 0.5,361 -0.736,362 2,364 -1,365 -1,366 -2,367 -0.885,368 0.152,369 -1,370 1.763,372 -1,373 -1.174,374 -2.592,375 -1,377 -1,378 1.56,379 -0.143,380 -1.047,381 -1.5,383 -3,384 -1,385 -0.08,386 -1.067,387 1,388 -0.57,389 -1.333,390 -1.566,392 -3.127,393 -1.111,394 -0.118,395 -1.568,396 1,397 -0.698,398 -1.618,399 -1.819,401 -4.245,402 -1.244,403 9.348,404 0.519,405 0.421,406 0.023,407 21.25,408 1.181,409 10.5,410 0.583,411 10.75,412 0.597,413 15.752,414 0.875,415 19.452,416 0.556,417 11.201,418 0.622,419 3.748,420 0.208,421 4.916,422 0.273,423 0.183,425 0.267,429 0.743,430 1.172,431 0.667,432 0.862,433 0.77,434 0.917,435 0.694,436 1.094,437 0.755,438 0.959,439 0.621,440 0.936,441 0.921,442 1.114,443 0.933,444 1.028,445 0.878,446 1.083,447 0.851,448 1.024,449 0.832,450 0.952,451 0.819,452 1.025,453 0.771,454 0.924,455 0.635,456 0.801,457 0.775,458 0.932,459 0.719,460 0.916,461 0.745,462 0.824,463 0.767,464 0.848,465 1.565,466 0.967,467 1.76,468 1.406,469 1.36,470 1.045,471 2.225,472 1.209,473 2.266,474 1.687,475 2.545,476 1.634,477 3.5,478 0.02,479 2,480 0.972,481 0.667,482 0.573,483 0.397,484 0.129,485 0.079,486 0.047,487 2704,488 7966,489 1.994,490 48.6,491 7,492 6,493 1,494 1,495 1,497 1,499 1.588,500 1.862,501 2.955,502 -0.28,504 1,507 54.735,508 1.564,509 3.451,510 4.229,511 4.343,512 4.343,513 4.343,514 2.468,515 3.503,516 4.142,517 3.098,518 473.955,519 7.036,520 4559.37,522 1,524 1,525 179.525,526 1.415,527 4.096,528 0.184,529 0.01,530 0.08,531 0.044,532 0.033,533 0.03,534 0.021,535 0.008,536 0.011,537 0.012,538 0.434,539 0.67,540 1,541 0.894,542 76.624,543 -0.021,544 -0.045,545 0.039,546 0.041,547 -0.059,548 0.023,549 0.137,550 -0.017,551 0.064,552 -0.011,553 0.154,554 0.015,555 -0.068,556 -0.154,557 -0.096,558 -0.13,559 -0.025,560 -0.124,561 -0.063,562 -0.082,563 -0.065,564 -0.075,565 -0.046,566 -0.074,567 -0.052,568 0.04,569 0.032,570 0.052,571 -0.095,572 0.003,573 0.069,574 0.015,575 0.15,576 0.152,577 0.064,578 0.135,579 -0.15,580 0.108,581 -0.243,582 -0.119,583 0.005,584 -0.029,585 -0.523,586 -0.306,587 -0.662,588 -0.586,589 -0.742,590 -0.623,591 0.88,592 1.819,593 0.611,594 12,595 0.991,596 1.119,597 3.808,598 14.503,599 0.703,600 2.996,601 3.258,602 3.434,603 3.584,604 3.611,605 3.611,606 3.611,607 3.434,608 3.296,609 3.045,610 4.818,611 0.636,612 280.85,613 2.996,614 4.489,615 5.293,616 6.129,617 6.952,618 7.791,619 8.62,620 9.461,621 10.293,622 11.133,623 5.7,626 1,631 1,633 6,634 1,637 1,638 3,639 11,645 1,648 1,649 35,650 11,651 1,652 19,654 36,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 9,672 5,673 2,682 1,684 17,685 2,686 1,687 4,688 2,691 2,692 1,703 1,704 1,717 2,719 1,721 2,722 1,724 18,729 1,730 1,733 2,737 1,740 1,747 9.667,748 6.676,749 4.056,750 2.132,751 1.704,752 1.292,753 0.945,754 4.868,755 7.545,756 3.239,757 3.755,758 4.214,759 4.668,760 4.89,761 4.873,762 5,763 5.062,764 5.183,765 5.364,766 1,767 22,768 6.623,770 2.658,771 7.534,772 12.971,774 10.382,776 2.034,777 36.611,778 0.002,781 188.338,782 112.822,783 34.796,784 39.149,787 31.278,788 81.545,789 227.486,790 34.796,791 17.65,792 2.106,793 45.554,794 46.567,795 16.234,796 11.771,797 196.073,798 39.149,799 188.338,800 116.341,802 70.426,804 176.567,805 11.771,807 29.304,808 52.24,809 73.945,810 31.278,811 188.338,812 34.796,813 151.971,815 188.338,816 40.57,817 72.252,818 18.011,819 55.934,820 188.338,821 34.796,822 151.971,823 0.572,824 0.319,825 0.161,826 0.076,827 11,828 5,829 0.139,830 5,832 1,833 3.069,834 119.228,836 11,837 69.059,838 1,840 13.66,841 6.415,842 3.865,844 34.796,845 11.924,846 4.242,849 1.631,850 3.085,851 18.011,852 375.105,853 24.5,860 34.673,861 39.182,862 0.305,863 0.673,864 0.824,865 0.847,866 0.847,867 0.847,868 4.428,869 0.618,870 5.252,871 2.209,872 3.932,873 4.437,874 0.278,875 5.979,876 3.783,877 5.591,878 0.192,879 6.765,880 1.372,881 3.434,882 3.98,884 6.77,885 3.211,886 6.852,887 -0.352,888 8.379,889 0.445,890 5.442,891 6.485,892 0.05,893 9.794,894 5.2,895 8.147,896 -1,897 10.054,898 -0.803,899 5.771,900 6.849,902 11.452,903 5.493,904 9.471,905 -1,906 11.77,907 -2,908 7.228,909 8.779,910 0.008,911 13.982,912 6.947,913 10.814,914 -1.047,915 13.514,916 -2.592,917 7.933,918 9.528,920 15.995,921 7.65,922 12.171,923 -1.333,924 15.28,925 -3,926 9.164,927 11.189,928 0.001,929 18.362,930 8.885,931 2.966,932 -1.618,933 17.063,934 -3.127,935 10.052,936 12.147,938 20.528,939 9.788,940 2.53,941 9.746,942 18.858,943 -4.245,944 11.187,945 13.662,947 22.836,948 10.931,949 2.372,950 6.993,951 20.665,952 3.688,953 12.167,954 14.741,956 25.066,957 11.928,958 1.811,959 6.249,960 22.48,961 3.478,962 13.263,963 16.173,965 27.354,966 13.033,967 1.388,968 4.918,969 24.302,970 2.936,971 14.289,972 17.327,974 29.61,975 14.075,976 1,977 3.03,978 26.131,979 2.153,980 15.371,981 18.707,983 31.891,984 15.165,985 0.947,986 2.275,987 27.964,988 1.744,989 16.423,990 19.909,992 34.159,993 16.228,994 2751,995 4822,996 12.425,997 24.608,998 28.044,999 28.014,1000 28.414,1001 27.726,1002 27.646,1003 35.465,1004 0.8,1005 74.474,1006 25.37,1007 5.061,1008 5.187,1009 6.033,1010 5.05,1011 4.966,1012 6.688,1013 0.8,1014 16.191,1015 4.948,1016 8.64,1017 1.476,1018 1.474,1019 1.495,1020 1.459,1021 1.455,1022 1.867,1023 0.042,1024 3.92,1025 1.335,1026 3.97,1027 4.002,1028 4.203,1029 3.915,1030 4.944,1031 3.901,1032 3.796,1033 3.825,1034 4.003,1035 3.78,1036 4.87,1037 3.7,1038 3.63,1039 3.684,1040 3.616,1041 3.533,1042 4.385,1043 3.51,1044 3.249,1045 3.339,1046 3.222,1047 3.063,1048 4.137,1049 3.045,1050 2.874,1051 3.009,1052 3.027,1053 2.735,1054 3.948,1055 2.719,1056 2.855,1057 2.925,1058 2.687,1059 2.732,1060 3.674,1061 2.715,1062 2.854,1063 2.906,1064 2.601,1065 2.618,1066 3.467,1067 2.57,1068 2.469,1069 2.556,1070 2.499,1071 2.33,1072 3.33,1073 2.28,1074 0.22,1075 0.168,1076 0.337,1077 0.208,1078 0.156,1079 4.174,1080 0.194,1081 3.187,1082 0.021,1083 6.405,1084 0.513,1085 3.959,1086 0.155,1087 2.966,1088 3.688,1089 0.4,1090 9.746,1091 2.948,1092 1.946,1093 1.92,1094 2.076,1095 2.032,1096 1.373,1097 2.052,1098 1.664,1099 1.612,1100 1.87,1101 1.804,1102 1,1103 1.833,1104 1.391,1105 1.361,1106 1.609,1107 1.637,1108 0.797,1109 1.64,1110 1.355,1111 1.295,1112 1.48,1113 1.477,1114 0.565,1115 1.513,1116 1.056,1117 1.014,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.167,1126 0.303,1127 1.227,1128 0.886,1129 0.804,1130 1.101,1131 1.062,1132 0.218,1133 1.107,1134 0.724,1135 0.678,1136 0.883,1137 0.873,1138 0.097,1139 0.923,1140 3.664,1142 4.934,1143 2.398,1144 6.382,1145 4.443,1146 7.909,1147 6.26,1148 9.48,1150 4.478,1151 5.93,1155 0.896,1156 3.394,1159 1.032,1164 22.272,1165 54.735,1166 120.796,1167 148.015,1168 152.015,1169 152.015,1170 152.015,1171 24.602,1172 5.841,1173 24.92,1174 53.16,1175 11,1176 11.7,1177 3.585,1178 2.7,1179 30.922,1180 49,1181 50,1182 0.3,1183 148.692,1184 246.76,1185 354.568,1186 1993,1187 2.9,1188 12.958,1189 0.72,1190 0.674,1191 13.811,1192 12.132,1193 8.665,1194 0.456,1195 0.385,1196 6.125,1197 7.748,1198 5.767,1199 4.863,1200 9.408,1201 7.311,1202 7.656,1203 0.306,1204 0.238,1205 8.674,1206 5.951,1207 5.905,1208 0.197,1209 0.133,1210 6.829,1211 3.991,1212 4.555,1213 0.13,1214 0.075,1215 5.285,1216 2.621,1217 3.039,1218 0.084,1219 0.042,1220 3.515,1221 1.503,1222 0.459,1223 60.613,1224 0.284,1225 18.18,1226 0.848,1227 88,1228 219.042,1229 130.411,1230 269.784,1231 358.19,1232 252,1233 99,1234 222.418,1235 129.237,1236 252.869,1237 363,1238 237,1239 4}
{0 CHEMBL593433,1 1.548,2 8.4,3 3.334,4 11.114,5 80.234,6 7.805,7 0.571,8 3.674,9 3.793,10 3.273,11 3.278,12 4.792,13 3.229,14 4.176,15 4.346,16 3.617,17 3.647,18 5.245,19 3.567,20 4.457,21 4.66,22 3.667,23 3.787,24 5.493,25 3.678,26 4.546,27 4.786,28 3.615,29 3.744,30 5.627,31 3.631,32 4.513,33 4.724,34 3.518,35 3.697,36 5.692,37 3.601,38 4.491,39 4.742,40 3.475,41 3.705,42 5.482,43 3.55,44 4.344,45 4.586,46 3.508,47 3.617,48 5.368,49 3.444,50 4.226,51 4.494,52 2.959,53 3.37,54 5.126,55 3.136,56 0.014,57 0.498,58 7.068,59 3.346,60 5.906,61 4.47,62 0.097,63 0.781,64 13.488,65 5.677,66 19.318,67 7.723,68 0.156,69 0.97,70 21.128,71 7.579,72 31.919,73 10.105,74 0.188,75 1.024,76 23.948,77 8.424,78 37.674,79 11.374,80 0.31,81 0.99,82 21.012,83 7.264,84 62.775,85 9.28,86 0.243,87 0.939,88 22.969,89 8.329,90 44.916,91 11.314,92 0.219,93 0.808,94 21.409,95 7.435,96 35.41,97 10.235,98 0.177,99 0.678,100 23.775,101 6.795,102 30.308,103 9.254,104 18,105 28,106 0.282,107 0.616,108 0.737,109 0.784,110 0.784,111 0.784,112 3.058,113 0.988,114 -4.13,115 -4.07,116 -3.85,118 43.2,119 2,121 2,131 6,132 1,133 2,134 2,142 1,154 8,157 3,159 1,161 3,162 13,166 2,170 2,171 10,175 6,178 1,179 4,181 9,185 2,188 2,190 9,193 1,194 1,198 9,201 3,205 1,207 6,211 4,219 2,221 2,224 534,225 13.19,226 13.19,227 13.19,228 13.19,229 13.19,230 11.557,231 12.875,232 7.943,233 13.432,234 10.351,235 10.351,236 10.351,237 10.351,238 10.351,239 8.004,240 16.869,241 3.764,242 10.77,243 3.662,244 1.825,245 1.163,246 0.906,247 0.906,248 0.906,249 3.712,250 1,252 1,253 1,254 346,255 3.391,259 146.417,261 1.24,262 17.374,263 1,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.333,274 168,275 4.288,276 3.818,277 6.685,278 4.091,279 3.089,280 3.738,281 1.987,282 10.662,283 3.091,284 3.929,285 2.971,286 5.444,287 3.51,288 2.544,289 3.471,290 0.324,291 7.222,292 2.454,293 3.748,294 2.752,295 5.18,296 3.319,297 2.386,298 3.107,300 6.35,301 2.21,302 3.26,303 2.506,304 4.807,305 2.812,306 1.844,307 2.485,309 5.18,310 1.791,311 2.972,312 1.935,313 4.562,314 2.759,315 1.779,316 2.073,318 4.374,319 1.641,320 2.812,321 1.519,322 3.592,323 2.318,324 1.375,325 1.866,326 2.981,327 1.288,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.247,339 1.984,340 1,341 1.5,342 2.136,343 0.983,344 1.548,345 0.924,346 3.142,347 1.301,348 0.341,349 0.39,350 0.865,351 0.309,352 1.177,353 0.48,354 2.529,355 0.763,356 -0.202,357 -0.255,358 -0.473,359 -0.171,360 0.885,361 0.193,362 2,363 0.44,364 -0.456,365 -0.578,366 -1.046,367 -0.364,368 0.5,369 -0.567,370 1.936,371 0.005,372 -1,373 -1,374 -2,375 -0.946,376 0.5,377 -0.885,378 1.593,380 -1,381 -1.417,383 -2.258,384 -0.996,385 0.464,386 -1,387 1.559,389 -1,390 -1.5,392 -2.347,393 -1,395 -1,396 1.555,397 -0.049,398 -1,399 -1.5,401 -3,402 -1,403 9.848,404 0.492,405 0.511,406 0.026,407 26,408 1.3,409 14,410 0.7,411 12,412 0.6,413 15.441,414 0.772,415 21.352,416 0.577,417 16.951,418 0.848,419 4.993,420 0.25,421 4.582,422 0.229,423 0.208,425 0.305,429 0.632,430 1.219,431 0.644,432 0.955,433 0.581,434 0.928,435 0.584,436 1.143,437 0.692,438 0.957,439 0.56,440 0.958,441 1.081,442 1.106,443 0.998,444 1.061,445 1.091,446 1.06,447 0.965,448 1.005,449 0.799,450 0.991,451 1.023,452 0.937,453 1.862,454 0.946,455 0.88,456 0.887,457 2.333,458 1.005,459 0.871,460 0.877,461 0.812,462 0.895,463 1.087,464 0.944,465 0.396,466 1.04,467 0.936,468 1.121,469 0.349,470 1.099,471 0.968,472 1.078,473 1.704,474 1.338,475 0.65,476 1.251,477 4,478 0.025,479 2,480 1.688,481 1.013,482 0.688,483 0.548,484 0.097,485 0.122,486 0.062,487 3437,488 10478,489 1.966,490 45.9,491 7,492 6,494 2,495 1,496 1,499 1.622,500 1.818,501 3.04,502 -0.32,503 1,504 1,506 1,507 57.263,508 1.548,509 3.385,510 4.047,511 4.304,512 4.304,513 4.304,514 2.504,515 3.622,516 4.293,517 3.165,518 601.264,519 7.354,520 6155.25,521 1,522 1,523 1,524 1,525 192.75,526 1.485,527 4.237,528 0.19,529 0.008,530 0.071,531 0.06,532 0.038,533 0.029,534 0.025,535 0.005,536 0.011,537 0.01,538 0.448,539 0.83,540 1,541 0.897,542 88.143,543 -0.028,544 -0.069,545 0.01,546 -0.006,547 -0.049,548 0.01,549 0.11,550 -0.064,551 0.052,552 -0.005,553 0.076,554 -0.005,555 -0.117,556 -0.092,557 -0.102,558 -0.101,559 -0.109,560 -0.106,561 0.038,562 -0.048,563 0.045,564 -0.042,565 0.113,566 0.029,567 -0.34,568 0.06,569 -0.167,570 0.005,571 -0.324,572 -0.113,573 0.029,574 0.043,575 0.043,576 0.078,577 -0.032,578 0.048,579 0.267,580 -0.118,581 0.096,582 -0.105,583 0.189,584 -0.077,585 -0.111,586 -0.206,587 -0.302,588 -0.283,589 -0.103,590 -0.214,591 1.687,592 5.475,593 0.6,594 13.83,595 0.998,596 1.121,597 2.897,598 8.391,599 0.687,600 3.091,601 3.367,602 3.555,603 3.761,604 3.85,605 3.761,606 3.807,607 3.611,608 3.434,609 3.367,610 5.001,611 0.643,612 288.8,613 3.091,614 4.595,615 5.407,616 6.26,617 7.089,618 7.948,619 8.785,620 9.645,621 10.487,622 11.348,623 5.4,628 1,631 1,633 8,634 1,638 3,639 12,648 1,649 37,650 13,651 1,652 21,654 38,655 16,656 11,657 2,658 4,660 2,661 2,662 1,663 2,671 12,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 17,685 3,686 1,687 4,688 1,691 2,692 1,693 1,699 1,704 2,709 1,717 2,721 2,722 1,724 20,730 1,733 2,740 1,741 2.7,744 1,747 11,748 7.093,749 4.5,750 2.225,751 1.939,752 1.321,753 0.938,754 4.884,755 7.989,756 3.367,757 3.892,758 4.344,759 4.848,760 5.281,761 5.153,762 5.382,763 5.455,764 5.34,765 5.668,766 0.833,767 28,768 7.371,770 3.025,771 7.797,772 13.982,774 11.074,776 2.297,777 45.944,778 0.001,781 188.338,782 106.75,783 34.796,784 39.149,785 25.145,788 106.75,789 252.631,790 34.796,791 17.65,792 18.011,793 56.857,794 70.177,795 27.538,797 164.795,798 39.149,799 188.338,800 141.547,801 25.145,802 39.149,804 188.338,805 25.145,807 53.756,808 71.005,809 55.934,811 188.338,812 59.941,813 145.899,815 188.338,816 14.148,817 92.603,818 18.011,819 81.079,820 188.338,821 59.941,822 145.899,823 0.574,824 0.323,825 0.175,826 0.089,827 12,828 6,829 0.105,830 4,832 1,833 3.172,834 141.222,836 12,837 76.439,840 14.702,841 6.644,842 3.896,844 59.941,845 14.287,846 3.935,850 2.395,851 18.011,852 394.178,853 28,856 12.475,859 -0.02,860 36.923,861 41.472,862 0.297,863 0.65,864 0.777,865 0.826,866 0.826,867 0.826,868 4.564,869 1,870 5.38,871 2.275,872 4.043,873 4.575,874 2.076,875 6.142,876 3.978,877 5.745,878 0.341,879 6.913,880 2.136,881 3.611,882 4.182,883 1.593,884 7.013,885 3.505,886 7.017,887 -0.202,888 8.55,889 0.865,890 5.58,891 6.63,892 3.1,893 10.092,894 5.48,895 8.321,896 -0.456,897 10.252,898 -0.473,899 5.943,900 6.953,901 3.168,902 11.85,903 5.836,904 9.652,905 -1,906 11.997,907 -1.046,908 7.41,909 8.928,910 4.312,911 14.46,912 7.303,913 11.004,914 -1,915 13.775,916 -2,917 8.157,918 9.607,919 4.654,920 16.588,921 8.064,922 12.371,923 -1,924 15.577,925 -2.258,926 9.414,927 11.343,928 5.601,929 19.039,930 9.32,931 3.089,932 -1,933 17.4,934 -2.347,935 10.351,936 12.23,937 6.091,938 21.314,939 10.276,940 2.544,941 10.662,942 19.238,943 -3,944 11.52,945 13.821,946 6.927,947 23.71,948 11.446,949 2.386,950 7.222,951 21.089,952 3.738,953 12.552,954 14.841,955 7.5,956 26.041,957 12.494,958 1.844,959 6.35,960 22.95,961 3.471,962 13.686,963 16.338,964 8.273,965 28.418,966 13.632,967 1.779,968 5.18,969 24.819,970 3.107,971 14.764,972 17.448,973 8.894,974 30.771,975 14.723,976 1.375,977 4.374,978 26.694,979 2.485,980 15.887,981 18.882,982 9.631,983 33.141,984 15.85,985 1,986 2.981,987 28.574,988 2.073,989 16.988,990 20.054,991 10.279,992 35.503,993 16.96,994 3509,995 6215,996 13.523,997 25.415,998 31.113,999 31.984,1000 32.148,1001 30.87,1002 30.719,1003 40.258,1004 4.622,1005 84.09,1006 29.534,1007 5.167,1008 5.818,1009 6.487,1010 5.126,1011 5.089,1012 6.738,1013 3.497,1014 17.39,1015 5.091,1016 10.53,1017 1.482,1018 1.523,1019 1.531,1020 1.47,1021 1.463,1022 1.917,1023 0.22,1024 4.004,1025 1.406,1026 3.98,1027 4.009,1028 4.015,1029 3.912,1030 7.428,1031 3.906,1032 3.849,1033 3.89,1034 3.822,1035 3.74,1036 4.942,1037 3.747,1038 3.639,1039 3.69,1040 3.625,1041 3.529,1042 4.904,1043 3.516,1044 3.296,1045 3.35,1046 3.223,1047 3.059,1048 4.357,1049 3.076,1050 2.886,1051 3.009,1052 3.161,1053 2.742,1054 4.128,1055 2.745,1056 2.874,1057 2.94,1058 2.687,1059 2.735,1060 4.019,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.735,1066 3.674,1067 2.715,1068 2.854,1069 2.925,1070 2.62,1071 2.618,1072 3.674,1073 2.57,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.288,1080 0.178,1081 3.818,1082 0.095,1083 6.685,1084 0.508,1085 4.091,1086 0.147,1087 3.089,1088 3.738,1089 1.987,1090 10.662,1091 3.091,1092 1.946,1093 1.922,1094 2.062,1095 2.042,1096 1.319,1097 2.05,1098 1.816,1099 1.777,1100 1.928,1101 1.949,1102 0.999,1103 1.95,1104 1.646,1105 1.595,1106 1.867,1107 1.791,1108 0.946,1109 1.823,1110 1.202,1111 1.153,1112 1.417,1113 1.482,1114 0.51,1115 1.453,1116 0.934,1117 0.821,1118 1.387,1119 1.239,1120 0.469,1121 1.308,1122 0.886,1123 0.821,1124 1.181,1125 1.062,1126 0.218,1127 1.107,1128 0.886,1129 0.804,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.826,1135 0.777,1136 1.022,1137 1.035,1138 0.026,1139 1.051,1140 3.761,1142 5.043,1144 6.521,1146 8.084,1148 9.69,1150 4.066,1151 5.898,1156 2.925,1159 -0.015,1164 23.8,1165 57.263,1166 125.24,1167 149.73,1168 159.24,1169 159.24,1170 159.24,1171 37.91,1172 6.05,1173 41.99,1174 41.99,1175 12,1176 11.902,1177 3.807,1178 3,1179 36.239,1180 57,1181 60,1182 0.305,1183 154.887,1184 266.36,1185 369.684,1186 2599,1187 2.7,1188 14.535,1189 0.727,1190 0.613,1191 15.035,1192 12.263,1193 9.575,1194 0.456,1195 0.329,1196 6.522,1197 9.058,1198 6.245,1199 5.267,1200 9.864,1201 6.918,1202 8.558,1203 0.306,1204 0.194,1205 8.967,1206 5.435,1207 6.462,1208 0.19,1209 0.099,1210 6.75,1211 3.378,1212 5.443,1213 0.13,1214 0.055,1215 5.609,1216 2.29,1217 3.845,1218 0.084,1219 0.03,1220 4.059,1221 1.38,1222 0.466,1223 62.113,1224 0.272,1225 19.837,1226 0.876,1227 98,1228 277.917,1229 119.175,1230 304.469,1231 398.77,1232 282,1233 111,1234 261.865,1235 126.082,1236 278.361,1237 398.39,1238 261,1239 4.252}
{0 CHEMBL593435,1 1.632,2 8.4,3 3.406,4 11.597,5 80.411,6 8.05,7 0.571,8 3.658,9 3.781,10 3.284,11 3.24,12 4.814,13 3.201,14 4.152,15 4.323,16 3.626,17 3.604,18 5.253,19 3.535,20 4.432,21 4.638,22 3.674,23 3.734,24 5.503,25 3.639,26 4.503,27 4.741,28 3.618,29 3.685,30 5.635,31 3.59,32 4.466,33 4.671,34 3.528,35 3.645,36 5.689,37 3.562,38 4.466,39 4.724,40 3.486,41 3.631,42 5.461,43 3.494,44 4.299,45 4.549,46 3.521,47 3.483,48 5.424,49 3.352,50 4.074,51 4.329,52 2.936,53 3.238,54 5.062,55 3.048,56 0.043,57 0.515,58 6.584,59 3.172,60 7.165,61 4.167,62 0.122,63 0.784,64 12.699,65 5.401,66 19.876,67 7.291,68 0.216,69 0.954,70 20.481,71 7.04,72 36.069,73 9.361,74 0.256,75 0.973,76 22.992,77 7.576,78 43.716,79 10.328,80 0.375,81 0.951,82 19.411,83 6.512,84 65.274,85 8.346,86 0.225,87 0.921,88 22.572,89 7.555,90 40.495,91 10.425,92 0.323,93 0.782,94 20.973,95 5.893,96 44.734,97 8.204,98 0.257,99 0.586,100 21.382,101 5.035,102 32.245,103 6.808,104 18,105 28,106 0.299,107 0.626,108 0.759,109 0.817,110 0.817,111 0.817,112 3.058,113 0.971,114 -4.7,115 -4.62,116 -4.34,118 41.7,119 2,121 2,131 6,132 1,133 1,134 1,136 1,142 1,150 1,154 9,157 3,159 2,161 2,162 12,166 4,168 1,170 3,171 10,174 1,175 6,179 4,181 8,184 1,185 6,188 2,190 8,194 6,198 7,201 7,205 1,207 8,211 2,215 2,219 1,221 1,224 534,225 13.19,226 13.19,227 13.19,228 13.19,229 13.19,230 11.557,231 12.875,232 7.943,233 13.436,234 10.351,235 10.351,236 10.351,237 10.351,238 10.351,239 8.004,240 16.869,241 3.764,242 10.783,243 3.538,244 1.754,245 1.028,246 0.709,247 0.709,248 0.709,249 3.712,250 1,252 1,253 1,254 346,255 3.391,259 146.417,261 1.24,262 18.244,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.833,274 168,275 4.288,276 3.818,277 6.685,278 4.09,279 3.089,280 3.738,281 1.987,282 10.662,283 3.09,284 3.929,285 2.971,286 5.444,287 3.493,288 2.544,289 3.471,290 0.324,291 7.222,292 2.411,293 3.748,294 2.752,295 5.18,296 3.315,297 2.386,298 3.107,300 6.35,301 2.204,302 3.26,303 2.506,304 4.807,305 2.815,306 1.844,307 2.485,309 5.18,310 1.795,311 2.972,312 1.935,313 4.562,314 2.759,315 1.779,316 2.073,318 4.374,319 1.642,320 2.812,321 1.519,322 3.592,323 2.341,324 1.375,325 1.866,326 2.981,327 1.32,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.247,339 1.983,340 1,341 1.5,342 2.136,343 0.982,344 1.548,345 0.924,346 3.142,347 1.301,348 0.341,349 0.39,350 0.865,351 0.309,352 1.177,353 0.48,354 2.529,355 0.767,356 -0.202,357 -0.255,358 -0.473,359 -0.171,360 0.885,361 0.193,362 2,363 0.441,364 -0.456,365 -0.578,366 -1.046,367 -0.365,368 0.5,369 -0.567,370 1.936,371 0.006,372 -1,373 -1,374 -2,375 -0.949,376 0.5,377 -0.885,378 1.593,380 -1,381 -1.417,383 -2.258,384 -0.995,385 0.464,386 -1,387 1.559,389 -1,390 -1.5,392 -2.347,393 -1,395 -1,396 1.555,397 -0.051,398 -1,399 -1.5,401 -3,402 -1,403 9.748,404 0.487,405 0.511,406 0.026,407 26,408 1.3,409 14,410 0.7,411 12,412 0.6,413 15.306,414 0.765,415 21.452,416 0.596,417 17.086,418 0.854,419 5.026,420 0.251,421 4.549,422 0.227,423 0.21,425 0.308,429 0.581,430 1.154,431 0.623,432 0.953,433 0.564,434 0.923,435 0.521,436 1.155,437 0.663,438 0.989,439 0.539,440 0.971,441 1.053,442 1.06,443 0.986,444 1.044,445 1.095,446 1.041,447 0.969,448 1.025,449 0.805,450 0.978,451 1.026,452 0.925,453 1.69,454 0.988,455 0.888,456 0.922,457 2.178,458 1.049,459 0.906,460 1.01,461 0.794,462 0.924,463 1.003,464 0.936,465 0.852,466 0.987,467 1.003,468 0.96,469 0.659,470 0.971,471 1.416,472 0.84,473 2.025,474 1.242,475 0.887,476 1.22,477 4,478 0.025,479 2,480 1.688,481 1.013,482 0.688,483 0.548,484 0.097,485 0.122,486 0.062,487 3437,488 10990,489 1.966,490 44.4,491 7,492 6,494 1,495 1,496 1,499 1.622,500 1.818,501 3.04,502 -0.271,504 1,506 1,507 58.759,508 1.632,509 3.415,510 4.142,511 4.461,512 4.461,513 4.461,514 2.504,515 3.622,516 4.293,517 3.165,518 601.264,519 7.354,520 6155.25,521 1,522 1,523 1,524 1,525 186.117,526 1.485,527 4.237,528 0.19,529 0.008,530 0.071,531 0.06,532 0.038,533 0.029,534 0.025,535 0.005,536 0.011,537 0.01,538 0.448,539 0.5,540 1,541 0.897,542 88.143,543 0.044,544 0.031,545 0.015,547 -0.024,548 0.004,549 0.166,550 -0.071,551 0.072,552 -0.026,553 0.099,554 -0.014,555 -0.093,556 -0.049,557 -0.087,558 -0.082,559 -0.104,560 -0.086,561 0.04,562 -0.08,563 0.048,564 -0.027,565 0.131,566 0.046,567 -0.276,568 0.017,569 -0.185,570 -0.032,571 -0.291,572 -0.159,573 -0.031,574 -0.097,575 0.076,576 0.042,577 -0.047,578 0.06,579 0.104,580 -0.016,581 0.083,582 0.003,583 0.117,585 -0.349,586 0.094,587 -0.491,588 -0.204,589 -0.247,590 -0.223,591 1.761,592 5.428,593 0.6,594 13.83,595 1.004,596 1.127,597 3.47,598 12.039,599 0.685,600 3.091,601 3.367,602 3.555,603 3.761,604 3.85,605 3.761,606 3.807,607 3.611,608 3.434,609 3.367,610 5.001,611 0.647,612 289.79,613 3.091,614 4.595,615 5.407,616 6.26,617 7.089,618 7.948,619 8.785,620 9.645,621 10.487,622 11.348,623 8.3,628 1,631 2,633 7,634 2,638 3,639 12,648 1,649 36,650 13,651 1,652 21,654 37,655 15,656 10,657 2,658 4,660 2,661 2,662 1,663 2,671 11,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 16,685 4,686 1,687 5,688 1,691 3,692 1,693 1,698 1,704 2,709 1,717 2,721 2,722 1,724 20,730 1,733 2,740 1,741 2.8,744 1,747 11,748 6.96,749 4.5,750 2.165,751 1.939,752 1.321,753 0.932,754 4.83,755 7.989,756 3.367,757 3.892,758 4.344,759 4.848,760 5.281,761 5.153,762 5.382,763 5.455,764 5.34,765 5.668,766 0.833,767 28,768 7.357,770 3.02,771 7.847,772 13.853,774 10.898,776 2.347,777 46.944,781 176.567,782 97.274,783 51.337,784 39.149,785 25.145,788 97.274,789 240.86,790 51.337,791 17.65,792 18.011,793 56.857,794 74.947,795 15.734,796 2.328,797 164.795,798 39.149,799 176.567,800 148.611,801 25.145,802 39.149,804 176.567,805 25.145,807 44.709,808 70.576,809 72.475,811 176.567,812 76.482,813 136.423,815 176.567,816 13.719,817 83.555,818 18.011,819 97.62,820 176.567,821 76.482,822 136.423,823 0.574,824 0.323,825 0.175,826 0.089,827 12,828 6,829 0.108,830 4,832 1,833 3.172,834 141.222,836 12,837 80.439,840 14.639,841 6.599,842 3.864,844 76.482,845 12.352,846 7.609,850 2.05,851 18.011,852 389.471,853 28,856 12.428,859 -0.095,860 36.142,861 40.555,862 0.316,863 0.661,864 0.801,865 0.863,866 0.863,867 0.863,868 4.564,869 1,870 5.38,871 2.275,872 4.043,873 4.575,874 2.076,875 6.142,876 3.974,877 5.745,878 0.341,879 6.913,880 2.136,881 3.611,882 4.182,883 1.593,884 7.013,885 3.489,886 7.017,887 -0.202,888 8.55,889 0.865,890 5.58,891 6.63,892 3.1,893 10.092,894 5.468,895 8.321,896 -0.456,897 10.252,898 -0.473,899 5.943,900 6.953,901 3.168,902 11.85,903 5.814,904 9.652,905 -1,906 11.997,907 -1.046,908 7.41,909 8.928,910 4.312,911 14.46,912 7.286,913 11.004,914 -1,915 13.775,916 -2,917 8.157,918 9.607,919 4.654,920 16.588,921 8.042,922 12.371,923 -1,924 15.577,925 -2.258,926 9.414,927 11.343,928 5.601,929 19.039,930 9.3,931 3.089,932 -1,933 17.4,934 -2.347,935 10.351,936 12.23,937 6.091,938 21.314,939 10.256,940 2.544,941 10.662,942 19.238,943 -3,944 11.52,945 13.821,946 6.927,947 23.71,948 11.428,949 2.386,950 7.222,951 21.089,952 3.738,953 12.552,954 14.841,955 7.5,956 26.041,957 12.477,958 1.844,959 6.35,960 22.95,961 3.471,962 13.686,963 16.338,964 8.273,965 28.418,966 13.617,967 1.779,968 5.18,969 24.819,970 3.107,971 14.764,972 17.448,973 8.894,974 30.771,975 14.708,976 1.375,977 4.374,978 26.694,979 2.485,980 15.887,981 18.882,982 9.631,983 33.141,984 15.837,985 1,986 2.981,987 28.574,988 2.073,989 16.988,990 20.054,991 10.279,992 35.503,993 16.947,994 3509,995 6379,996 13.523,997 24.659,998 31.113,999 31.984,1000 32.148,1001 30.88,1002 30.719,1003 40.258,1004 4.622,1005 84.09,1006 29.505,1007 5.167,1008 5.818,1009 6.487,1010 5.127,1011 5.089,1012 6.738,1013 3.497,1014 17.39,1015 5.09,1016 10.53,1017 1.482,1018 1.523,1019 1.531,1020 1.47,1021 1.463,1022 1.917,1023 0.22,1024 4.004,1025 1.405,1026 3.975,1027 4.005,1028 4.014,1029 3.909,1030 7.428,1031 3.903,1032 3.822,1033 3.873,1034 3.803,1035 3.67,1036 5.052,1037 3.687,1038 3.638,1039 3.689,1040 3.621,1041 3.527,1042 4.937,1043 3.514,1044 3.303,1045 3.356,1046 3.223,1047 3.072,1048 4.356,1049 3.088,1050 2.904,1051 3.009,1052 3.167,1053 2.778,1054 4.127,1055 2.773,1056 2.874,1057 2.957,1058 2.687,1059 2.735,1060 3.976,1061 2.715,1062 2.854,1063 2.925,1064 2.653,1065 2.618,1066 3.884,1067 2.57,1068 2.682,1069 2.751,1070 2.543,1071 2.509,1072 3.674,1073 2.517,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.288,1080 0.178,1081 3.818,1082 0.095,1083 6.685,1084 0.508,1085 4.09,1086 0.147,1087 3.089,1088 3.738,1089 1.987,1090 10.662,1091 3.09,1092 1.943,1093 1.92,1094 2.06,1095 2.039,1096 1.319,1097 2.047,1098 1.758,1099 1.711,1100 1.874,1101 1.935,1102 0.999,1103 1.919,1104 1.644,1105 1.593,1106 1.859,1107 1.79,1108 0.847,1109 1.822,1110 1.216,1111 1.166,1112 1.417,1113 1.487,1114 0.516,1115 1.463,1116 0.934,1117 0.821,1118 1.402,1119 1.239,1120 0.469,1121 1.308,1122 0.886,1123 0.815,1124 1.181,1125 1.062,1126 0.218,1127 1.107,1128 0.866,1129 0.804,1130 1.078,1131 1.056,1132 0.139,1133 1.078,1134 0.618,1135 0.577,1136 0.863,1137 0.88,1139 0.875,1140 3.761,1142 5.043,1144 6.521,1146 8.084,1148 9.69,1150 4.019,1151 5.886,1156 2.791,1159 -0.095,1164 23.294,1165 58.759,1166 122.956,1167 149.098,1168 160.608,1169 160.608,1170 160.608,1171 38.087,1172 6.05,1173 54.88,1174 54.88,1175 12,1176 11.902,1177 3.807,1178 3,1179 36.239,1180 57,1181 60,1182 0.305,1183 152.089,1184 260.06,1185 362.857,1186 2599,1187 2.8,1188 14.535,1189 0.727,1190 0.607,1191 15.035,1192 12.133,1193 9.575,1194 0.456,1195 0.324,1196 6.387,1197 8.994,1198 6.126,1199 5.168,1200 9.864,1201 6.795,1202 8.558,1203 0.306,1204 0.19,1205 8.967,1206 5.308,1207 6.462,1208 0.19,1209 0.096,1210 6.75,1211 3.254,1212 5.443,1213 0.13,1214 0.053,1215 5.609,1216 2.207,1217 3.845,1218 0.084,1219 0.029,1220 4.059,1221 1.316,1222 0.466,1223 62.567,1224 0.272,1225 19.837,1226 0.876,1227 98,1228 297.562,1229 120.951,1230 322.208,1231 422.73,1232 298,1233 111,1234 283.863,1235 128.025,1236 297.709,1237 424.85,1238 279,1239 5.638}
{0 CHEMBL593436,1 1.678,2 7.684,3 2.923,4 8.546,5 72.574,6 8.199,7 0.55,8 3.615,9 3.723,10 3.254,11 3.164,12 4.768,13 3.142,14 4.123,15 4.282,16 3.616,17 3.535,18 5.26,19 3.48,20 4.349,21 4.542,22 3.583,23 3.638,24 5.408,25 3.544,26 4.441,27 4.665,28 3.595,29 3.629,30 5.62,31 3.539,32 4.433,33 4.636,34 3.499,35 3.58,36 5.634,37 3.509,38 4.424,39 4.67,40 3.442,41 3.524,42 5.437,43 3.403,44 4.233,45 4.468,46 3.453,47 3.324,48 5.368,49 3.226,50 3.832,51 4.031,52 2.684,53 3.038,54 4.84,55 2.822,56 0.042,57 0.465,58 6.11,59 3.054,60 6.049,61 3.823,62 0.26,63 0.714,64 12.435,65 5.24,66 23.911,67 6.798,68 0.253,69 0.832,70 19.054,71 6.686,72 35.438,73 8.594,74 0.383,75 0.891,76 21.591,77 7.231,78 49.148,79 9.74,80 0.385,81 0.892,82 18.808,83 6.344,84 57.926,85 7.96,86 0.317,87 0.834,88 21.985,89 7.115,90 44.629,91 9.488,92 0.497,93 0.646,94 21.004,95 5.32,96 48.426,97 6.746,98 0.223,99 0.414,100 17.622,101 4.493,102 23.426,103 5.593,104 18,105 27,106 0.312,107 0.676,108 0.785,109 0.807,110 0.807,111 0.807,112 3.01,113 0.962,114 -4.12,115 -4.07,116 -3.85,118 41.2,119 2,121 2,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 8,156 1,157 1,159 3,161 1,162 12,166 2,170 2,171 10,174 2,175 6,179 4,181 7,185 6,188 2,190 5,194 8,198 1,201 5,205 1,207 2,219 2,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.719,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.278,243 3.409,244 1.456,245 0.868,246 0.75,247 0.75,248 0.75,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 19.25,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 41.333,274 146,275 4.289,276 3.818,277 6.685,278 4.09,279 3.09,280 3.739,281 1.987,282 10.662,283 3.09,284 3.945,285 2.972,286 5.452,287 3.506,288 2.559,289 3.501,290 0.324,291 7.244,292 2.418,293 3.753,294 2.755,295 5.182,296 3.318,297 2.39,298 3.109,300 6.354,301 2.205,302 3.253,303 2.524,304 4.809,305 2.807,306 1.839,307 2.472,309 5.186,310 1.789,311 2.947,312 1.935,313 4.565,314 2.758,315 1.772,316 1.976,318 4.38,319 1.641,320 2.558,321 1.318,322 3.449,323 2.106,324 1.131,325 1.56,326 2.496,327 1.097,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.567,340 0.618,341 0.927,342 1.372,343 0.585,344 1.542,345 0.618,346 3,347 1.279,348 0.314,349 0.364,350 0.787,351 0.284,352 0.971,353 0.402,354 2.441,355 0.581,356 -0.337,357 -0.404,358 -0.819,359 -0.247,360 0.882,361 0.114,362 2,363 0.432,364 -0.525,365 -0.705,366 -1.237,367 -0.494,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.385,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.566,398 -1.398,399 -1.802,401 -3.177,402 -1.37,403 9.181,404 0.483,405 0.511,406 0.027,407 24,408 1.263,409 12,410 0.632,411 12,412 0.632,413 14.677,414 0.772,415 20.819,416 0.612,417 15.468,418 0.814,419 4.638,420 0.244,421 4.438,422 0.234,423 0.223,425 0.327,429 0.726,430 1.33,431 0.611,432 1.024,433 0.596,434 0.939,435 0.561,436 0.976,437 0.651,438 0.905,439 0.545,440 0.921,441 1.005,442 1.129,443 1.003,444 1.071,445 1.113,446 1.072,447 0.711,448 1.034,449 0.781,450 0.984,451 0.935,452 0.943,453 1.446,454 1.044,455 0.846,456 0.935,457 2.007,458 1.038,459 0.999,460 1.054,461 0.818,462 0.953,463 1.057,464 0.961,465 1.424,466 0.669,467 1.08,468 0.714,469 0.667,470 0.786,471 1.382,472 1.172,473 2.466,474 1.757,475 0.972,476 1.691,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 9918,489 1.965,490 44.1,491 7,492 4,493 1,494 1,495 1,496 1,499 1.607,500 1.81,501 2.928,502 -0.249,504 1,505 1,506 1,507 57.067,508 1.678,509 3.631,510 4.22,511 4.337,512 4.337,513 4.337,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 172.974,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.67,540 1,541 0.92,542 81.822,543 -0.045,544 -0.148,545 0.016,546 -0.061,547 -0.05,548 -0.013,549 0.248,550 0.119,551 0.085,552 0.051,553 0.123,554 0.022,555 -0.128,556 -0.129,557 -0.103,558 -0.095,559 -0.121,560 -0.103,561 0.162,562 -0.07,563 0.058,564 -0.035,565 0.2,566 0.035,567 -0.28,568 -0.027,569 -0.154,570 -0.054,571 -0.305,572 -0.143,573 -0.064,574 -0.139,575 0.058,576 -0.007,577 -0.086,578 0.023,579 -0.114,580 0.265,581 0.069,582 0.236,583 0.082,584 0.155,585 -0.338,586 -0.295,587 -0.772,588 -0.634,589 -0.335,590 -0.659,591 1.806,592 5.293,593 0.579,594 12.648,595 1.011,596 1.125,597 2.894,598 8.376,599 0.68,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.647,612 278.76,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 5.9,628 1,631 1,633 6,634 1,636 1,638 3,639 11,648 1,649 34,650 12,651 1,652 20,654 35,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 15,685 4,686 1,687 5,688 1,691 2,692 1,693 2,695 1,703 1,704 1,709 1,717 2,721 2,722 1,724 19,730 1,733 2,740 1,741 5.9,744 1,746 1,747 10.5,748 6.593,749 4.25,750 2.027,751 1.704,752 1.288,753 0.929,754 4.482,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 6.992,770 2.885,771 7.892,772 13.103,774 10.309,776 2.392,777 45.444,778 0.001,781 164.795,782 92.324,783 34.796,784 39.149,785 34.652,788 92.324,789 238.596,790 34.796,791 17.65,792 18.011,793 49.644,794 58.406,795 29.832,796 11.771,797 141.253,798 39.149,799 164.795,800 127.121,801 34.652,802 39.149,804 164.795,805 34.652,807 49.3,808 61.035,809 55.934,811 164.795,812 69.449,813 131.473,815 164.795,816 15.982,817 76.342,818 18.011,819 90.586,820 164.795,821 69.449,822 131.473,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.114,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,840 13.94,841 6.11,842 3.505,844 69.449,845 10.199,846 3.886,848 5.025,850 1.785,851 18.011,852 365.717,853 26.5,856 12.293,859 -0.139,860 34.367,861 38.266,862 0.33,863 0.714,864 0.829,865 0.853,866 0.853,867 0.853,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.936,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.489,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.441,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.836,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.269,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 8.058,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.292,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.266,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.425,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.483,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.616,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.711,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.838,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.949,994 3028,995 5652,996 12.83,997 23.108,998 29.962,999 30.402,1000 30.632,1001 29.583,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 28.218,1007 5.177,1008 5.818,1009 6.3,1010 5.133,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.09,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.479,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.411,1026 3.977,1027 4.003,1028 4.014,1029 3.908,1030 7.428,1031 3.901,1032 3.831,1033 3.856,1034 3.822,1035 3.595,1036 5.181,1037 3.635,1038 3.636,1039 3.686,1040 3.621,1041 3.506,1042 4.937,1043 3.505,1044 3.282,1045 3.329,1046 3.223,1047 3.055,1048 4.355,1049 3.068,1050 2.874,1051 3.009,1052 3.139,1053 2.735,1054 4.125,1055 2.73,1056 2.861,1057 2.925,1058 2.687,1059 2.73,1060 3.82,1061 2.715,1062 2.854,1063 2.905,1064 2.499,1065 2.618,1066 3.773,1067 2.57,1068 2.495,1069 2.552,1070 2.442,1071 2.275,1072 3.674,1073 2.281,1074 0.214,1075 0.191,1076 0.334,1077 0.205,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.09,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.09,1092 1.941,1093 1.918,1094 2.059,1095 2.029,1096 1.318,1097 2.042,1098 1.656,1099 1.608,1100 1.868,1101 1.805,1102 0.999,1103 1.829,1104 1.355,1105 1.304,1106 1.522,1107 1.673,1108 0.537,1109 1.62,1110 1.329,1111 1.291,1112 1.479,1113 1.56,1114 0.469,1115 1.548,1116 1.018,1117 0.987,1118 1.417,1119 1.278,1120 0.46,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.239,1126 0.218,1127 1.244,1128 0.886,1129 0.804,1130 1.173,1131 1.062,1132 0.185,1133 1.107,1134 0.671,1135 0.659,1136 0.817,1137 0.902,1139 0.891,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 3.989,1151 5.865,1156 2.667,1159 -0.125,1164 21.988,1165 57.067,1166 123.464,1167 143.464,1168 147.464,1169 147.464,1170 147.464,1171 34.584,1172 5.922,1173 55.13,1174 55.13,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 142.626,1184 243.19,1185 339.767,1186 2133,1187 2.9,1188 13.828,1189 0.728,1190 0.606,1191 14.328,1192 11.516,1193 9.075,1194 0.454,1195 0.321,1196 5.988,1197 8.44,1198 5.75,1199 4.839,1200 9.364,1201 6.413,1202 8.205,1203 0.304,1204 0.187,1205 8.613,1206 5.036,1207 6.212,1208 0.188,1209 0.094,1210 6.5,1211 3.093,1212 5.266,1213 0.128,1214 0.051,1215 5.432,1216 2.103,1217 3.233,1218 0.081,1219 0.029,1220 3.447,1221 1.172,1222 0.476,1223 59.976,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 307.652,1229 119.328,1230 323.635,1231 423.43,1232 300,1233 107,1234 282.581,1235 125.793,1236 293.718,1237 423.92,1238 275,1239 4.602}
{0 CHEMBL593517,1 1.737,2 7.737,3 3.369,4 11.348,5 78.997,6 8.671,7 0.55,8 3.602,9 3.709,10 3.352,11 3.26,12 4.713,13 3.182,14 4.107,15 4.267,16 3.725,17 3.622,18 5.193,19 3.517,20 4.34,21 4.539,22 3.698,23 3.67,24 5.416,25 3.547,26 4.433,27 4.676,28 3.55,29 3.651,30 5.443,31 3.527,32 4.393,33 4.61,34 3.559,35 3.677,36 5.472,37 3.538,38 4.428,39 4.65,40 3.656,41 3.677,42 5.534,43 3.5,44 4.204,45 4.424,46 3.479,47 3.535,48 5.238,49 3.317,50 3.827,51 4.013,52 2.99,53 3.138,54 4.977,55 2.892,56 0.017,57 0.471,58 6.06,59 3.199,60 5.484,61 3.963,62 0.12,63 0.765,64 13.737,65 5.594,66 16.675,67 6.952,68 0.24,69 0.895,70 20.881,71 7.153,72 33.761,73 8.984,74 0.233,75 0.964,76 23.24,77 7.626,78 34.841,79 9.642,80 0.181,81 0.929,82 19.311,83 7.638,84 35.561,85 9.433,86 0.312,87 0.919,88 24.368,89 8.514,90 55.158,91 9.853,92 0.247,93 0.788,94 28.069,95 7.991,96 31.141,97 8.38,98 0.224,99 0.462,100 19.611,101 5.146,102 31.314,103 5.914,104 18,105 27,106 0.323,107 0.676,108 0.785,109 0.807,110 0.807,111 0.807,112 3.01,113 1.094,114 -3.71,115 -3.68,116 -3.5,118 41.2,119 2,121 1,125 1,131 4,132 1,133 1,134 1,139 1,142 1,145 1,154 6,157 1,159 1,161 2,162 8,165 1,166 1,168 1,170 5,171 8,175 2,179 2,181 7,185 6,190 6,194 6,197 1,198 5,201 2,207 4,211 1,219 1,221 1,224 462,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 11.018,231 10.309,232 7.418,233 12.918,234 9.839,235 9.839,236 9.839,237 9.839,238 9.839,239 7.694,240 12.737,241 3.498,242 10.597,243 3.35,244 1.456,245 0.868,246 0.75,247 0.75,248 0.75,249 3.659,250 1,252 1,253 1,254 303,255 3.391,258 60.177,259 68.663,261 1.224,262 17.063,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.333,274 147,275 4.235,276 3.597,277 6.437,278 3.985,279 3.009,280 3.732,281 1.081,282 9.888,283 2.937,284 4.09,285 3.162,286 5.991,287 3.665,288 2.729,289 3.655,290 0.473,291 8.444,292 2.549,293 3.674,294 2.862,295 5.14,296 3.288,297 2.373,298 2.946,300 6.258,301 2.154,302 3.213,303 2.199,304 4.745,305 2.762,306 1.813,307 2.433,309 4.949,310 1.649,311 3.024,312 1.957,313 4.308,314 2.668,315 1.732,316 2.105,318 4.137,319 1.582,320 2.5,321 1.187,322 3.489,323 2,324 1,325 1.5,326 2.275,327 1,328 2.312,329 1.03,330 3.414,331 1.878,332 0.953,333 1.215,334 2.272,335 0.866,336 2.118,337 1,338 3.073,339 1.526,340 0.618,341 0.927,342 1.372,343 0.52,344 1.874,345 0.618,346 3,347 1.414,348 0.555,349 0.704,350 1.33,351 0.484,352 1.098,353 0.506,354 2.45,355 0.657,356 -0.218,357 -0.268,358 -0.484,359 -0.153,360 0.503,361 -0.079,362 2,363 0.151,364 -0.816,365 -0.961,366 -2,367 -0.72,368 0.5,369 -0.819,370 1.903,372 -1,373 -1,374 -2.112,375 -1,376 0.129,377 -1,378 1.564,380 -1,381 -1.5,383 -2.852,384 -1,386 -1,387 1.55,388 -0.248,389 -1.231,390 -1.566,392 -3,393 -1.096,394 -0.086,395 -1.147,396 1.094,397 -0.573,398 -1.334,399 -1.693,401 -3.187,402 -1.191,403 9.681,404 0.51,405 0.511,406 0.027,407 23,408 1.211,409 11.5,410 0.605,411 11.5,412 0.605,413 15.998,414 0.842,415 20.319,416 0.598,417 14.021,418 0.738,419 4.237,420 0.223,421 4.839,422 0.255,423 0.212,425 0.31,429 0.64,430 1.144,431 0.635,432 0.838,433 0.584,434 0.87,435 0.602,436 1.16,437 0.737,438 0.939,439 0.539,440 0.907,441 0.796,442 1.132,443 0.877,444 1.052,445 0.837,446 1.063,447 1.064,448 0.891,449 0.764,450 0.785,451 0.968,452 0.864,453 1.016,454 0.997,455 0.687,456 0.891,457 1.218,458 1.003,459 1.334,460 0.934,461 0.889,462 0.895,463 1.769,464 0.966,465 1.301,466 0.971,467 1.691,468 1.367,469 1.031,470 1.049,471 1.246,472 1.195,473 2.118,474 1.687,475 0.905,476 1.644,477 4,478 0.02,479 2.444,480 1.028,481 1.112,482 0.684,483 0.417,484 0.188,485 0.079,486 0.047,487 2979,488 10002,489 1.965,490 44.1,491 6,492 5,493 1,494 1,495 1,497 1,499 1.607,500 1.81,501 2.965,502 -0.249,504 1,506 1,507 59.067,508 1.737,509 3.631,510 4.22,511 4.337,512 4.337,513 4.337,514 2.465,515 3.722,516 4.221,517 3.086,518 527.729,519 7.206,520 5224.6,521 1,522 1,523 1,524 1,525 172.974,526 1.509,527 4.159,528 0.2,529 0.01,530 0.091,531 0.041,532 0.046,533 0.03,534 0.02,535 0.011,536 0.01,537 0.012,538 0.47,539 0.67,540 1,541 0.92,542 81.999,543 -0.038,544 -0.043,545 0.031,546 0.043,547 -0.06,548 0.024,549 0.121,550 -0.093,551 0.068,552 0.002,553 0.1,554 0.023,555 0.124,556 -0.156,557 -0.025,558 -0.164,559 0.054,560 -0.123,561 -0.101,562 0.077,563 -0.001,564 0.05,565 -0.021,566 0.073,567 -0.089,568 -0.044,569 -0.01,570 -0.022,571 -0.063,572 -0.064,573 -0.116,574 -0.009,575 0.022,576 0.087,577 -0.199,578 0.004,579 -0.247,580 0.097,581 -0.268,582 -0.079,583 -0.105,584 -0.015,585 -0.079,586 -0.304,587 -0.558,588 -0.592,589 -0.06,590 -0.623,591 1.802,592 5.072,593 0.579,594 12.266,595 1.003,596 1.117,597 2.484,598 6.17,599 0.715,600 3.045,601 3.332,602 3.526,603 3.689,604 3.761,605 3.714,606 3.664,607 3.555,608 3.367,609 3.045,610 4.798,611 0.661,612 294.83,613 3.045,614 4.554,615 5.371,616 6.221,617 7.059,618 7.91,619 8.755,620 9.607,621 10.455,622 11.307,623 5.9,628 1,631 1,633 6,634 1,637 1,638 3,639 11,642 1,648 1,649 34,650 12,651 1,652 20,654 35,655 14,656 9,657 2,658 4,659 1,660 2,661 2,662 1,663 2,669 1,671 10,672 4,673 1,674 1,677 1,680 1,681 1,682 1,684 15,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,717 2,719 1,721 2,722 1,724 19,730 1,733 2,737 1,740 1,741 2.9,744 1,747 10.5,748 6.593,749 4.25,750 2.027,751 1.704,752 1.288,753 0.941,754 4.805,755 7.625,756 3.314,757 3.845,758 4.326,759 4.783,760 5.053,761 5.075,762 5.087,763 5.256,764 5.34,765 5.364,766 1,767 25,768 7.005,770 2.885,771 7.804,772 13.307,774 10.599,776 2.304,777 43.778,778 0.001,781 164.795,782 115.85,783 34.796,784 39.149,785 25.145,787 31.278,788 84.572,789 229.089,790 34.796,791 17.65,792 18.011,793 45.554,794 59.336,795 15.734,796 11.771,797 172.531,798 39.149,799 164.795,800 119.369,801 25.145,802 70.426,804 153.024,805 36.916,807 45.638,808 56.945,809 55.934,810 31.278,811 164.795,812 59.941,813 154.999,815 164.795,816 43.598,817 72.252,818 18.011,819 81.079,820 164.795,821 59.941,822 154.999,823 0.579,824 0.33,825 0.167,826 0.085,827 12,828 6,829 0.114,830 4,832 1,833 3.085,834 131.47,836 11,837 74.711,838 1,840 14.321,841 6.375,842 3.691,844 59.941,845 10.974,846 4.022,849 1.338,850 2.224,851 18.011,852 379.735,853 26.5,856 12.072,859 -0.136,860 34.116,861 37.976,862 0.341,863 0.714,864 0.829,865 0.853,866 0.853,867 0.853,868 4.519,869 0.618,870 5.352,871 2.272,872 4.007,873 4.527,874 1.331,875 6.116,876 3.88,877 5.704,878 0.555,879 6.893,880 1.372,881 3.611,882 4.182,884 6.974,885 3.436,886 6.983,887 -0.218,888 8.535,889 1.33,890 5.557,891 6.6,892 1.343,893 10.019,894 5.341,895 8.295,896 -0.816,897 10.237,898 -0.484,899 5.969,900 7.063,902 11.703,903 5.712,904 9.636,905 -1,906 11.976,907 -2,908 7.391,909 8.928,910 1.438,911 14.258,912 7.111,913 10.997,914 -1,915 13.742,916 -2.112,917 8.157,918 9.765,920 16.274,921 7.844,922 12.373,923 -1.231,924 15.525,925 -2.852,926 9.375,927 11.382,928 1.555,929 18.657,930 9.043,931 3.009,932 -1.334,933 17.322,934 -3,935 10.306,936 12.416,938 20.817,939 9.947,940 2.729,941 9.888,942 19.13,943 -3.187,944 11.44,945 13.904,946 1.679,947 23.133,948 11.064,949 2.373,950 8.444,951 20.945,952 3.732,953 12.449,954 15.048,956 25.358,957 12.05,958 1.813,959 6.258,960 22.767,961 3.655,962 13.55,963 16.465,964 1.807,965 27.65,966 13.133,967 1.732,968 4.949,969 24.594,970 2.946,971 14.597,972 17.673,974 29.904,975 14.16,976 1,977 4.137,978 26.425,979 2.433,980 15.686,981 19.048,982 1.939,983 32.189,984 15.232,985 0.953,986 2.275,987 28.259,988 2.105,989 16.753,990 20.294,992 34.458,993 16.279,994 3052,995 5702,996 12.83,997 24.301,998 30.23,999 30.797,1000 30.596,1001 29.633,1002 29.564,1003 38.431,1004 3.107,1005 81.849,1006 27.483,1007 5.125,1008 5.597,1009 6.034,1010 5.068,1011 5.009,1012 6.732,1013 2.162,1014 16.391,1015 4.937,1016 10.209,1017 1.511,1018 1.54,1019 1.53,1020 1.482,1021 1.478,1022 1.922,1023 0.155,1024 4.092,1025 1.374,1026 3.967,1027 3.997,1028 4.216,1029 3.905,1030 7.429,1031 3.893,1032 3.815,1033 3.83,1034 4.002,1035 3.804,1036 4.942,1037 3.73,1038 3.622,1039 3.68,1040 3.614,1041 3.51,1042 4.816,1043 3.491,1044 3.256,1045 3.313,1046 3.222,1047 3.021,1048 4.399,1049 3.039,1050 2.917,1051 3.009,1052 3.175,1053 2.801,1054 4.137,1055 2.798,1056 2.874,1057 2.938,1058 2.687,1059 2.735,1060 3.777,1061 2.715,1062 2.854,1063 2.925,1064 2.6,1065 2.618,1066 3.674,1067 2.57,1068 2.473,1069 2.543,1070 2.512,1071 2.286,1072 3.467,1073 2.25,1074 0.212,1075 0.18,1076 0.322,1077 0.199,1078 0.15,1079 4.235,1080 0.187,1081 3.597,1082 0.054,1083 6.437,1084 0.494,1085 3.985,1086 0.147,1087 3.009,1088 3.732,1089 1.081,1090 9.888,1091 2.937,1092 1.933,1093 1.907,1094 2.053,1095 2.026,1096 1.304,1097 2.04,1098 1.649,1099 1.597,1100 1.867,1101 1.8,1102 0.999,1103 1.828,1104 1.419,1105 1.417,1106 1.515,1107 1.637,1108 0.605,1109 1.607,1110 1.355,1111 1.311,1112 1.421,1113 1.469,1114 0.512,1115 1.507,1116 1.004,1117 0.954,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.154,1126 0.319,1127 1.198,1128 0.886,1129 0.804,1130 1.11,1131 1.062,1132 0.218,1133 1.107,1134 0.635,1135 0.598,1136 0.791,1137 0.834,1139 0.863,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.021,1147 6.293,1148 9.613,1150 4.142,1151 5.887,1156 3.02,1159 0.235,1164 22.46,1165 59.067,1166 123.464,1167 143.464,1168 147.464,1169 147.464,1170 147.464,1171 34.046,1172 5.922,1173 41.99,1174 70.23,1175 11,1176 11.864,1177 3.7,1178 2.907,1179 33.492,1180 52,1181 55,1182 0.31,1183 149.761,1184 252.91,1185 357.176,1186 2141,1187 2.9,1188 13.828,1189 0.728,1190 0.649,1191 14.682,1192 12.333,1193 9.075,1194 0.454,1195 0.365,1196 6.094,1197 8.105,1198 5.75,1199 4.84,1200 9.818,1201 7.292,1202 8.185,1203 0.303,1204 0.219,1205 9.177,1206 5.915,1207 6.371,1208 0.193,1209 0.116,1210 7.375,1211 3.833,1212 4.871,1213 0.125,1214 0.064,1215 5.648,1216 2.508,1217 3.493,1218 0.083,1219 0.035,1220 3.98,1221 1.459,1222 0.471,1223 63.609,1224 0.279,1225 18.909,1226 0.893,1227 94,1228 278.777,1229 138.347,1230 323.5,1231 423.55,1232 300,1233 107,1234 264.336,1235 142.482,1236 293.69,1237 425.34,1238 275,1239 4}
{0 CHEMBL593607,1 1.642,2 7.684,3 2.913,4 8.487,5 74.819,6 7.937,7 0.55,8 3.636,9 3.764,10 3.245,11 3.188,12 4.759,13 3.154,14 4.142,15 4.32,16 3.605,17 3.57,18 5.235,19 3.5,20 4.393,21 4.605,22 3.586,23 3.672,24 5.429,25 3.567,26 4.468,27 4.705,28 3.587,29 3.653,30 5.603,31 3.552,32 4.453,33 4.664,34 3.495,35 3.607,36 5.649,37 3.526,38 4.447,39 4.709,40 3.426,41 3.571,42 5.415,43 3.429,44 4.276,45 4.548,46 3.449,47 3.411,48 5.354,49 3.277,50 4.001,51 4.258,52 2.686,53 3.139,54 4.904,55 2.888,56 0.029,57 0.508,58 6.736,59 2.983,60 6.022,61 4.027,62 0.178,63 0.78,64 13.023,65 5.331,66 20.818,67 7.237,68 0.201,69 0.89,70 20.253,71 6.738,72 33.49,73 9.112,74 0.286,75 0.916,76 22.373,77 7.379,78 43.744,79 10.187,80 0.331,81 0.919,82 19.556,83 6.318,84 59.383,85 8.297,86 0.242,87 0.886,88 22.387,89 7.076,90 41.095,91 9.959,92 0.372,93 0.741,94 21.33,95 5.236,96 42.296,97 7.624,98 0.2,99 0.496,100 20.407,101 5.218,102 26.118,103 7.069,104 18,105 27,106 0.304,107 0.676,108 0.792,109 0.813,110 0.813,111 0.813,112 3.01,113 0.977,114 -4.12,115 -4.07,116 -3.85,118 40,119 2,121 2,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 8,157 1,159 3,160 1,161 1,162 12,166 2,170 2,171 10,174 1,175 5,178 1,179 5,181 7,185 4,188 4,190 5,194 4,197 4,198 1,201 3,205 3,207 2,219 1,220 1,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.791,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.393,243 3.487,244 1.472,245 0.843,246 0.729,247 0.729,248 0.729,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 17.521,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.833,274 146,275 4.289,276 3.818,277 6.685,278 4.09,279 3.09,280 3.739,281 1.987,282 10.662,283 3.089,284 3.945,285 2.972,286 5.452,287 3.481,288 2.559,289 3.501,290 0.324,291 7.244,292 2.359,293 3.753,294 2.755,295 5.182,296 3.311,297 2.39,298 3.109,300 6.354,301 2.186,302 3.253,303 2.524,304 4.809,305 2.801,306 1.839,307 2.472,309 5.186,310 1.776,311 2.947,312 1.935,313 4.565,314 2.758,315 1.772,316 1.976,318 4.38,319 1.64,320 2.558,321 1.318,322 3.449,323 2.088,324 1.131,325 1.56,326 2.496,327 1.077,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.518,340 0.618,341 0.927,342 1.372,343 0.556,344 1.542,345 0.618,346 3,347 1.278,348 0.314,349 0.364,350 0.787,351 0.283,352 0.971,353 0.402,354 2.441,355 0.573,356 -0.337,357 -0.404,358 -0.819,359 -0.247,360 0.882,361 0.114,362 2,363 0.431,364 -0.525,365 -0.705,366 -1.237,367 -0.49,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.394,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.568,398 -1.398,399 -1.802,401 -3.177,402 -1.356,403 9.248,404 0.487,405 0.511,406 0.027,407 24,408 1.263,409 12,410 0.632,411 12,412 0.632,413 14.795,414 0.779,415 20.752,416 0.593,417 15.35,418 0.808,419 4.605,420 0.242,421 4.471,422 0.235,423 0.221,425 0.324,429 0.726,430 1.348,431 0.641,432 0.975,433 0.598,434 0.929,435 0.485,436 0.992,437 0.665,438 0.943,439 0.532,440 0.956,441 1.093,442 1.093,443 1.007,444 1.065,445 1.118,446 1.066,447 0.846,448 1.007,449 0.78,450 0.981,451 0.992,452 0.929,453 1.73,454 1.049,455 0.869,456 0.936,457 2.222,458 1.042,459 0.961,460 1.104,461 0.818,462 0.947,463 1.045,464 0.969,465 0.938,466 0.78,467 1.023,468 0.798,469 0.495,470 0.864,471 1.159,472 1.028,473 2.066,474 1.526,475 0.79,476 1.453,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 9320,489 1.965,490 45.7,491 7,492 4,493 1,494 1,495 2,496 1,499 1.607,500 1.81,501 2.928,502 0.393,504 1,506 1,507 57.467,508 1.642,509 3.658,510 4.286,511 4.4,512 4.4,513 4.4,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 179.525,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.67,540 1,541 0.92,542 81.822,543 -0.069,544 -0.12,545 0.007,546 -0.011,547 -0.062,548 0.011,549 0.24,550 0.135,551 0.072,552 0.02,553 0.106,554 0.001,555 -0.143,556 -0.084,557 -0.105,558 -0.093,559 -0.118,560 -0.102,561 0.135,562 -0.066,563 0.062,564 -0.023,565 0.172,566 0.047,567 -0.34,568 -0.046,569 -0.171,570 -0.051,571 -0.323,572 -0.152,573 -0.063,574 -0.185,575 0.043,576 -0.002,577 -0.088,578 0.007,579 0.032,580 0.215,581 0.072,582 0.128,583 0.138,584 0.079,585 -0.231,586 -0.183,587 -0.513,588 -0.43,589 -0.212,590 -0.407,591 1.743,592 5.333,593 0.579,594 12.648,595 1.004,596 1.13,597 2.894,598 8.376,599 0.676,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.637,612 277.78,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 8.6,628 1,629 1,631 1,633 6,634 1,635 1,638 3,639 11,648 1,649 35,650 12,651 1,652 20,654 36,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 16,685 3,686 2,687 5,688 1,689 1,691 3,692 1,693 1,703 1,704 1,709 1,717 2,721 2,722 1,724 19,730 1,733 2,740 1,741 2.9,744 1,747 10.5,748 6.676,749 4.25,750 2.076,751 1.704,752 1.288,753 0.943,754 4.482,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 6.997,770 2.887,771 7.839,772 13.201,774 10.454,776 2.339,777 44.444,778 0.001,781 164.795,782 86.94,783 51.582,784 39.149,785 25.145,788 86.94,789 229.089,790 51.582,791 17.65,792 18.011,793 46.952,794 58.406,795 34.418,796 11.771,797 141.253,798 39.149,799 164.795,800 138.522,801 25.145,802 39.149,804 164.795,805 25.145,807 63.393,808 58.343,809 55.934,811 164.795,812 76.727,813 126.089,815 164.795,816 13.29,817 73.65,818 34.796,819 81.079,820 164.795,821 76.727,822 126.089,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.111,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,840 13.94,841 6.11,842 3.505,844 59.941,845 10.632,846 3.997,847 2.858,850 2.075,851 34.796,852 367.611,853 26.5,856 12.333,859 -0.077,860 35.142,861 39.555,862 0.32,863 0.713,864 0.836,865 0.858,866 0.858,867 0.858,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.918,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.474,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.411,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.811,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.237,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 8.032,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.263,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.242,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.402,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.463,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.598,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.695,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.823,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.936,994 3028,995 5470,996 12.83,997 23.659,998 29.962,999 30.402,1000 30.632,1001 29.549,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 27.933,1007 5.177,1008 5.818,1009 6.3,1010 5.144,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.089,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.477,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.397,1026 3.983,1027 4.024,1028 4.015,1029 3.909,1030 7.428,1031 3.903,1032 3.868,1033 3.925,1034 3.848,1035 3.655,1036 5.002,1037 3.689,1038 3.639,1039 3.69,1040 3.626,1041 3.523,1042 4.935,1043 3.513,1044 3.285,1045 3.334,1046 3.223,1047 3.056,1048 4.354,1049 3.07,1050 2.874,1051 3.009,1052 3.141,1053 2.735,1054 4.125,1055 2.73,1056 2.861,1057 2.925,1058 2.687,1059 2.73,1060 3.775,1061 2.715,1062 2.854,1063 2.905,1064 2.499,1065 2.618,1066 3.674,1067 2.57,1068 2.523,1069 2.611,1070 2.446,1071 2.299,1072 3.611,1073 2.302,1074 0.214,1075 0.191,1076 0.334,1077 0.204,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.09,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.089,1092 1.942,1093 1.918,1094 2.059,1095 2.031,1096 1.318,1097 2.043,1098 1.658,1099 1.61,1100 1.868,1101 1.815,1102 0.999,1103 1.831,1104 1.458,1105 1.381,1106 1.631,1107 1.744,1108 0.611,1109 1.723,1110 1.354,1111 1.291,1112 1.503,1113 1.588,1114 0.526,1115 1.575,1116 1.072,1117 1.02,1118 1.417,1119 1.32,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.253,1125 1.239,1126 0.315,1127 1.3,1128 0.886,1129 0.804,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.703,1135 0.677,1136 0.873,1137 0.924,1139 0.929,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.03,1151 5.875,1156 2.778,1159 -0.057,1164 22.294,1165 57.467,1166 128.015,1167 150.015,1168 154.015,1169 154.015,1170 154.015,1171 34.426,1172 5.922,1173 57.78,1174 57.78,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 145.424,1184 245.4,1185 346.595,1186 2133,1187 2.9,1188 13.828,1189 0.728,1190 0.611,1191 14.328,1192 11.608,1193 9.075,1194 0.454,1195 0.326,1196 6.099,1197 8.5,1198 5.853,1199 4.933,1200 9.364,1201 6.512,1202 8.205,1203 0.304,1204 0.19,1205 8.613,1206 5.137,1207 6.212,1208 0.188,1209 0.096,1210 6.5,1211 3.17,1212 5.266,1213 0.128,1214 0.053,1215 5.432,1216 2.163,1217 3.233,1218 0.081,1219 0.03,1220 3.447,1221 1.196,1222 0.476,1223 59.522,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 278.25,1229 117.395,1230 302.449,1231 396.95,1232 280,1233 107,1234 264.189,1235 124.108,1236 278.146,1237 400.38,1238 261,1239 4.699}
{0 CHEMBL593733,1 1.694,2 7.7,3 3.688,4 13.598,5 83.914,6 8.348,7 0.524,8 3.678,9 3.788,10 3.397,11 3.317,12 4.766,13 3.237,14 4.201,15 4.378,16 3.782,17 3.684,18 5.216,19 3.585,20 4.414,21 4.598,22 3.777,23 3.8,24 5.465,25 3.679,26 4.579,27 4.792,28 3.803,29 3.836,30 5.717,31 3.72,32 4.583,33 4.783,34 3.709,35 3.848,36 5.711,37 3.723,38 4.625,39 4.87,40 3.695,41 3.874,42 5.553,43 3.661,44 4.539,45 4.831,46 3.608,47 3.705,48 5.447,49 3.45,50 3.983,51 4.212,52 2.955,53 3.248,54 4.909,55 2.973,57 0.512,58 7.089,59 3.582,60 5.13,61 4.537,62 0.175,63 0.846,64 16.43,65 6.008,66 16.683,67 7.777,68 0.107,69 0.953,70 20.985,71 7.896,72 24.792,73 9.884,74 0.318,75 1.106,76 28.457,77 9.287,78 50.626,79 11.107,80 0.271,81 1.125,82 22.644,83 8.553,84 52.511,85 10.437,86 0.202,87 1.153,88 28.35,89 10.474,90 40.458,91 13.17,92 0.384,93 1.044,94 37.92,95 10.878,96 47.122,97 12.857,98 0.147,99 0.54,100 21.773,101 6.089,102 22.154,103 7.396,104 27,105 29,106 0.309,107 0.638,108 0.782,109 0.802,110 0.802,111 0.802,112 3.058,113 1.098,114 -4.78,115 -4.69,116 -4.4,118 40.5,119 2,121 2,123 1,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 8,156 2,157 4,162 12,166 4,171 10,174 1,175 10,181 8,185 6,190 7,194 4,198 5,201 4,207 4,219 1,221 1,224 518,225 13.035,226 13.035,227 13.035,228 13.035,229 13.035,230 11.581,231 13.501,232 7.633,233 13.536,234 10.292,235 10.292,236 10.292,237 10.292,238 10.292,239 8.14,240 16.9,241 3.56,242 11.146,243 3.516,244 1.718,245 0.926,246 0.818,247 0.818,248 0.818,249 3.705,250 1,252 1,253 1,254 316,255 3.674,258 63.987,259 73.092,261 1.2,262 17.638,263 1,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.333,274 154,275 4.363,276 3.91,277 6.821,278 4.156,279 3.174,280 3.773,281 2.015,282 11.1,283 3.13,284 4.052,285 3.027,286 6.131,287 3.649,288 2.743,289 3.592,290 0.625,291 8.762,292 2.483,293 3.753,294 2.848,295 5.222,296 3.308,297 2.393,298 3.124,299 0.111,300 6.393,301 2.164,302 3.329,303 2.584,304 4.931,305 2.87,306 1.945,307 2.567,309 5.399,310 1.777,311 2.995,312 1.936,313 4.705,314 2.761,315 1.805,316 2.057,318 4.687,319 1.643,320 2.621,321 1.663,322 3.825,323 2.174,324 1.215,325 1.614,326 2.796,327 1.144,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.922,338 3.216,339 1.486,340 0.618,341 0.927,342 1.384,343 0.511,344 1.818,345 0.772,346 3,347 1.413,348 0.567,349 0.676,350 1.372,351 0.483,352 1.505,353 0.618,354 2.749,355 1.113,356 0.125,357 0.158,358 0.281,359 0.111,360 0.886,361 0.285,362 2.127,363 0.442,364 -0.441,365 -0.542,366 -1.021,367 -0.324,368 0.5,369 -0.541,370 2,372 -1,373 -1,374 -2,375 -1,376 0.06,377 -0.915,378 1.787,380 -1,381 -1.367,383 -2.781,384 -1,386 -1,387 1.561,388 -0.289,389 -1.208,390 -1.5,392 -3,393 -1.037,394 -0.035,395 -1,396 1.44,397 -0.409,398 -1.301,399 -1.558,401 -3.115,402 -1.094,403 10.181,404 0.509,405 0.583,406 0.029,407 24.25,408 1.213,409 12,410 0.6,411 12.25,412 0.613,413 17.975,414 0.899,415 21.619,416 0.584,417 15.458,418 0.773,419 4.438,420 0.222,421 5.064,422 0.253,423 0.25,425 0.334,429 0.608,430 1.289,431 0.644,432 0.918,433 0.57,434 0.938,435 0.597,436 0.98,437 0.708,438 0.862,439 0.565,440 0.815,441 1.01,442 1.173,443 0.898,444 1.023,445 1.042,446 1.055,447 1.279,448 0.981,449 0.913,450 0.977,451 1.473,452 0.927,453 1.548,454 1.028,455 0.798,456 0.897,457 1.875,458 1.069,459 0.853,460 1.062,461 0.843,462 0.971,463 0.971,464 1.08,465 0.599,466 0.801,467 1.17,468 1.079,469 0.36,470 0.847,471 1.19,472 1.122,473 1.895,474 1.468,475 0.791,476 1.463,477 4,478 0.02,479 2.667,480 1.778,481 1.342,482 0.792,483 0.498,484 0.188,485 0.079,486 0.047,487 3238,488 10433,489 1.938,490 45.9,491 7,492 7,493 1,494 1,496 1,499 1.624,500 1.765,501 2.94,502 -0.738,504 1,506 1,507 62.66,508 1.694,509 3.492,510 4.283,511 4.391,512 4.391,513 4.391,514 2.433,515 3.684,516 4.294,517 3.061,518 581.516,519 7.368,520 5887.15,521 1,522 1,523 1,524 1,525 192.75,526 1.559,527 4.219,528 0.19,529 0.01,530 0.092,531 0.061,532 0.045,533 0.029,534 0.023,535 0.01,536 0.01,537 0.012,538 0.482,539 0.33,540 1,541 0.932,542 87.224,544 -0.172,545 0.042,546 -0.012,547 -0.047,548 -0.013,549 0.178,550 0.114,551 0.114,552 0.085,553 0.063,554 0.124,555 -0.061,556 -0.19,557 -0.059,558 -0.123,559 -0.032,560 -0.11,561 -0.046,562 0.01,563 -0.054,564 -0.042,565 0.016,566 0.006,567 -0.28,568 -0.028,569 -0.143,570 -0.061,571 -0.225,572 -0.179,573 -0.057,574 -0.125,575 0.002,576 -0.02,577 -0.109,578 -0.096,579 0.177,580 0.172,581 0.068,582 0.089,583 0.202,584 0.204,585 -0.222,586 -0.242,587 -0.429,588 -0.389,589 -0.19,590 -0.422,591 1.614,592 5.728,593 0.55,594 12.91,595 1,596 1.119,597 3.545,598 12.569,599 0.704,600 3.091,601 3.401,602 3.638,603 3.829,604 3.85,605 3.807,606 3.807,607 3.611,608 3.367,609 3.045,610 4.737,611 0.648,612 308.86,613 3.091,614 4.615,615 5.451,616 6.319,617 7.174,618 8.046,619 8.908,620 9.781,621 10.647,622 11.52,623 5.4,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 37,650 12,651 1,652 21,654 38,655 15,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 10,672 5,673 2,674 1,677 1,680 1,681 1,682 1,684 17,685 3,687 5,688 2,691 2,692 1,693 1,703 1,704 1,710 1,717 2,719 1,721 3,722 1,724 20,733 2,734 1,737 1,740 1,741 2.7,744 1,747 11.333,748 7.543,749 4.472,750 2.202,751 1.665,752 1.278,753 0.933,754 5.029,755 7.664,756 3.35,757 3.887,758 4.377,759 4.859,760 5.092,761 5.15,762 5.343,763 5.324,764 5.265,765 5.364,766 1,767 29,768 7.392,770 3.043,771 7.764,772 14.089,774 11.227,776 2.264,777 45.278,778 0.001,781 200.109,782 123.818,783 19.91,784 39.149,785 25.145,787 31.278,788 92.54,789 264.402,790 19.91,791 26.047,792 3.124,793 45.554,794 58.406,795 16.234,796 11.771,797 207.844,798 39.149,799 200.109,800 112.45,801 25.145,802 70.426,804 200.109,805 25.145,807 30.323,808 65.341,809 55.934,810 31.278,811 200.109,812 45.055,813 162.966,815 200.109,816 43.169,817 83.773,819 81.079,820 200.109,821 45.055,822 162.966,823 0.584,824 0.345,825 0.181,826 0.085,827 13,828 7,829 0.105,830 4,832 1,833 3.09,834 145.031,836 11,837 80.439,838 1,840 15.301,841 6.574,842 3.528,844 45.055,845 11.051,846 4.189,849 1.459,850 2.379,852 408.13,853 27.5,856 12.728,859 0.053,860 37,861 41.392,862 0.325,863 0.67,864 0.822,865 0.843,866 0.843,867 0.843,868 4.572,869 0.618,870 5.451,871 2.275,872 4.078,873 4.57,874 2.153,875 6.267,876 3.947,877 5.766,878 0.567,879 7.027,880 1.384,881 3.761,882 4.27,883 1.668,884 7.248,885 3.574,886 7.055,887 0.125,888 8.71,889 1.372,890 5.673,891 6.643,892 3.152,893 10.352,894 5.458,895 8.38,896 -0.441,897 10.454,898 0.281,899 6.176,900 7.135,901 3.254,902 12.17,903 5.928,904 9.735,905 -1,906 12.238,907 -1.021,908 7.581,909 8.969,910 4.386,911 14.817,912 7.322,913 11.111,914 -1,915 14.051,916 -2,917 8.435,918 9.822,919 4.764,920 16.967,921 8.164,922 12.503,923 -1.208,924 15.884,925 -2.781,926 9.662,927 11.419,928 5.704,929 19.459,930 9.385,931 3.174,932 -1.301,933 17.733,934 -3,935 10.672,936 12.461,937 6.226,938 21.75,939 10.392,940 2.743,941 11.1,942 19.594,943 -3.115,944 11.836,945 13.938,946 7.061,947 24.185,948 11.552,949 2.393,950 8.762,951 21.464,952 3.773,953 12.916,954 15.085,955 7.66,956 26.537,957 12.632,958 1.945,959 6.393,960 23.342,961 3.592,962 14.06,963 16.495,964 8.437,965 28.951,966 13.773,967 1.805,968 5.399,969 25.226,970 3.124,971 15.173,972 17.705,973 9.08,974 31.331,975 14.885,976 1.215,977 4.687,978 27.115,979 2.567,980 16.313,981 19.077,982 9.824,983 33.738,984 16.022,985 1,986 2.796,987 29.009,988 2.057,989 17.443,990 20.326,991 10.492,992 36.131,993 17.148,994 3340,995 6099,996 13.235,997 26.063,998 31.917,999 32.349,1000 32.818,1001 31.286,1002 31.168,1003 39.978,1004 5.501,1005 88.898,1006 28.893,1007 5.256,1008 5.91,1009 6.418,1010 5.256,1011 5.174,1012 6.773,1013 3.529,1014 18.51,1015 5.13,1016 11.589,1017 1.52,1018 1.54,1019 1.563,1020 1.49,1021 1.484,1022 1.904,1023 0.262,1024 4.233,1025 1.376,1026 3.979,1027 4.006,1028 4.211,1029 3.917,1030 7.427,1031 3.906,1032 3.812,1033 3.84,1034 4.006,1035 3.788,1036 4.939,1037 3.715,1038 3.633,1039 3.683,1040 3.657,1041 3.534,1042 4.849,1043 3.515,1044 3.363,1045 3.43,1046 3.244,1047 3.143,1048 4.354,1049 3.15,1050 3.036,1051 3.105,1052 3.221,1053 2.881,1054 4.126,1055 2.857,1056 2.874,1057 3.009,1058 2.738,1059 2.735,1060 3.974,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.618,1066 3.674,1067 2.57,1068 2.747,1069 2.769,1070 2.6,1071 2.556,1072 3.467,1073 2.556,1074 0.208,1075 0.186,1076 0.325,1077 0.198,1078 0.151,1079 4.363,1080 0.18,1081 3.91,1082 0.096,1083 6.821,1084 0.529,1085 4.156,1086 0.149,1087 3.174,1088 3.773,1089 2.015,1090 11.1,1091 3.13,1092 1.943,1093 1.92,1094 2.06,1095 2.031,1096 1.322,1097 2.044,1098 1.663,1099 1.618,1100 1.868,1101 1.811,1102 0.999,1103 1.833,1104 1.468,1105 1.417,1106 1.681,1107 1.71,1108 0.772,1109 1.715,1110 1.356,1111 1.318,1112 1.482,1113 1.489,1114 0.555,1115 1.516,1116 1.047,1117 1.011,1118 1.417,1119 1.258,1120 0.472,1121 1.308,1122 0.958,1123 0.887,1124 1.296,1125 1.239,1126 0.469,1127 1.279,1128 0.934,1129 0.821,1130 1.181,1131 1.079,1132 0.218,1133 1.153,1134 0.886,1135 0.804,1136 0.947,1137 1.062,1138 0.19,1139 1.107,1140 3.761,1142 5.069,1143 2.398,1144 6.564,1145 4.443,1146 8.145,1147 6.293,1148 9.774,1150 5.867,1151 5.916,1159 0.007,1160 1.629,1164 23.987,1165 62.66,1166 129.186,1167 158.485,1168 162.485,1169 162.485,1170 162.485,1171 39.516,1172 5.999,1173 33.2,1174 61.44,1175 11,1176 12.062,1177 3.7,1178 2.907,1179 36.134,1180 54,1181 60,1182 0.326,1183 159.353,1184 270.21,1185 380.581,1186 2284,1187 2.7,1188 14.698,1189 0.735,1190 0.664,1191 15.552,1192 13.28,1193 9.503,1194 0.453,1195 0.366,1196 6.476,1197 8.504,1198 6.068,1199 5.127,1200 10.246,1201 7.687,1202 8.604,1203 0.297,1204 0.217,1205 9.596,1206 6.295,1207 6.955,1208 0.188,1209 0.116,1210 7.944,1211 4.298,1212 5.515,1213 0.123,1214 0.065,1215 6.34,1216 2.906,1217 3.597,1218 0.078,1219 0.036,1220 4.108,1221 1.675,1222 0.489,1223 66.388,1224 0.275,1225 19.6,1226 0.962,1227 100,1228 290.09,1229 145.32,1230 334.135,1231 439.63,1232 310,1233 116,1234 278.533,1235 151.398,1236 309.003,1237 448.12,1238 288,1239 4.076}
{0 CHEMBL593826,1 1.774,2 7.684,3 2.855,4 8.15,5 75.794,6 8.478,7 0.55,8 3.604,9 3.741,10 3.267,11 3.109,12 4.807,13 3.097,14 4.092,15 4.273,16 3.616,17 3.489,18 5.254,19 3.44,20 4.309,21 4.508,22 3.583,23 3.613,24 5.391,25 3.52,26 4.431,27 4.664,28 3.592,29 3.601,30 5.611,31 3.517,32 4.414,33 4.625,34 3.509,35 3.546,36 5.662,37 3.477,38 4.398,39 4.666,40 3.437,41 3.476,42 5.407,43 3.357,44 4.191,45 4.469,46 3.476,47 3.196,48 5.384,49 3.123,50 3.786,51 4.045,52 2.708,53 2.755,54 4.895,55 2.622,56 0.122,57 0.516,58 5.742,59 2.688,60 8.85,61 3.481,62 0.257,63 0.748,64 11.475,65 4.767,66 24.603,67 6.365,68 0.299,69 0.808,70 17.734,71 6.3,72 36.507,73 8.282,74 0.395,75 0.847,76 21.373,77 6.706,78 48.328,79 9.361,80 0.506,81 0.844,82 17.931,83 5.634,84 66.297,85 7.543,86 0.365,87 0.789,88 21.522,89 6.039,90 44.136,91 8.872,92 0.465,93 0.614,94 19.837,95 3.535,96 47.253,97 5.626,98 0.378,99 0.363,100 18.094,101 2.166,102 32.008,103 3.14,104 18,105 27,106 0.332,107 0.695,108 0.777,109 0.8,110 0.8,111 0.8,112 3.01,113 0.938,114 -4.48,115 -4.41,116 -4.15,118 36.4,119 2,121 2,131 4,132 1,133 1,138 1,142 1,150 1,152 2,154 8,156 2,157 1,159 4,161 1,162 12,166 2,168 1,169 1,170 2,171 10,174 2,175 6,179 4,181 7,184 1,185 7,186 1,188 3,190 5,194 10,197 2,198 1,201 9,205 5,207 2,211 2,214 2,219 2,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.73,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.295,243 3.271,244 1.333,245 0.894,246 0.773,247 0.773,248 0.773,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 17.867,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 41.833,274 146,275 4.289,276 3.818,277 6.685,278 4.09,279 3.09,280 3.739,281 1.987,282 10.662,283 3.089,284 3.945,285 2.972,286 5.452,287 3.493,288 2.559,289 3.501,290 0.324,291 7.244,292 2.387,293 3.753,294 2.755,295 5.182,296 3.316,297 2.39,298 3.109,300 6.354,301 2.199,302 3.253,303 2.524,304 4.809,305 2.808,306 1.839,307 2.472,309 5.186,310 1.791,311 2.947,312 1.935,313 4.565,314 2.758,315 1.772,316 1.976,318 4.38,319 1.641,320 2.558,321 1.318,322 3.449,323 2.112,324 1.131,325 1.56,326 2.496,327 1.104,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.591,340 0.618,341 0.927,342 1.372,343 0.6,344 1.542,345 0.618,346 3,347 1.278,348 0.314,349 0.364,350 0.787,351 0.284,352 0.971,353 0.402,354 2.441,355 0.574,356 -0.337,357 -0.404,358 -0.819,359 -0.247,360 0.882,361 0.114,362 2,363 0.431,364 -0.525,365 -0.705,366 -1.237,367 -0.491,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.377,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.566,398 -1.398,399 -1.802,401 -3.177,402 -1.386,403 9.048,404 0.476,405 0.511,406 0.027,407 23.5,408 1.237,409 12,410 0.632,411 11.5,412 0.605,413 14.884,414 0.783,415 20.952,416 0.635,417 15.261,418 0.803,419 4.565,420 0.24,421 4.51,422 0.237,423 0.226,425 0.332,429 0.571,430 1.055,431 0.598,432 0.928,433 0.558,434 0.903,435 0.428,436 0.882,437 0.621,438 0.925,439 0.514,440 0.934,441 0.884,442 0.981,443 0.986,444 1.15,445 1.08,446 1.136,447 0.8,448 1.015,449 0.777,450 1.042,451 0.948,452 0.976,453 1.381,454 1.041,455 0.837,456 0.976,457 1.935,458 1.099,459 0.882,460 1.169,461 0.796,462 0.986,463 0.914,464 0.985,465 1.1,466 1.041,467 1.042,468 0.796,469 0.618,470 0.813,471 2.301,472 0.848,473 2.799,474 1.26,475 1.298,476 1.312,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 10674,489 1.965,490 42.4,491 7,492 4,495 2,496 1,499 1.607,500 1.81,501 2.928,502 0.497,504 1,506 1,507 58.533,508 1.774,509 3.711,510 4.15,511 4.271,512 4.271,513 4.271,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 166.465,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.33,540 1,541 0.92,542 81.822,543 0.11,544 0.241,545 0.016,546 0.045,547 -0.008,548 0.014,549 0.288,550 0.265,551 0.102,552 0.067,553 0.143,554 0.035,555 -0.035,556 0.025,557 -0.095,558 -0.103,559 -0.1,560 -0.117,561 0.111,562 -0.101,563 0.066,564 -0.043,565 0.174,566 0.045,567 -0.191,568 -0.071,569 -0.151,570 -0.064,571 -0.258,572 -0.178,573 -0.043,574 -0.297,575 0.086,576 -0.026,577 -0.063,578 0.029,579 -0.06,580 -0.128,581 0.111,582 0.082,583 0.105,584 0.105,585 -0.877,586 0.068,587 -0.939,588 -0.322,589 -0.525,590 -0.454,591 1.835,592 5.272,593 0.579,594 12.648,595 1.018,596 1.143,597 3.251,598 10.568,599 0.671,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.645,612 279.76,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 15.2,628 1,629 1,631 3,633 4,634 3,635 1,638 3,639 11,648 1,649 33,650 12,651 1,652 20,654 34,655 12,656 7,657 2,658 4,660 2,661 2,662 1,663 2,671 8,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 14,685 5,686 2,687 7,688 1,691 5,692 1,693 1,703 1,704 1,709 1,717 2,721 2,722 1,724 19,730 1,733 2,740 1,741 3,744 1,747 10.5,748 6.41,749 4.25,750 1.942,751 1.704,752 1.288,753 0.928,754 4.378,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 6.959,770 2.867,771 7.944,772 12.941,774 10.12,776 2.444,777 46.444,781 141.253,782 68.845,783 84.418,784 39.149,785 25.145,788 68.845,789 205.547,790 84.418,791 17.65,792 18.011,793 37.905,794 79.716,795 23.227,796 1.899,797 141.253,798 39.149,799 141.253,800 153.263,801 25.145,802 39.149,804 141.253,805 25.145,807 54.101,808 49.296,809 89.015,811 141.253,812 109.563,813 107.994,815 141.253,816 13.29,817 55.555,818 34.551,819 114.16,820 141.253,821 109.563,822 107.994,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.118,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,840 13.813,841 6.022,842 3.444,844 93.022,845 7.243,846 10.787,847 2.307,850 1.717,851 34.551,852 358.81,853 26.5,856 12.272,859 -0.168,860 33.578,861 37.721,862 0.352,863 0.736,864 0.823,865 0.847,866 0.847,867 0.847,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.933,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.474,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.432,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.819,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.256,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 8.043,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.279,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.252,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.413,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.471,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.606,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.701,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.829,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.941,994 3028,995 5881,996 12.83,997 22.148,998 29.962,999 30.402,1000 30.632,1001 29.612,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 28.189,1007 5.177,1008 5.818,1009 6.3,1010 5.132,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.089,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.481,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.409,1026 3.973,1027 4.008,1028 4.014,1029 3.907,1030 7.428,1031 3.9,1032 3.797,1033 3.889,1034 3.802,1035 3.555,1036 5.267,1037 3.564,1038 3.632,1039 3.689,1040 3.615,1041 3.382,1042 4.937,1043 3.441,1044 3.275,1045 3.333,1046 3.222,1047 3.019,1048 4.356,1049 3.038,1050 2.874,1051 3.009,1052 3.137,1053 2.735,1054 4.126,1055 2.715,1056 2.857,1057 2.925,1058 2.687,1059 2.692,1060 3.883,1061 2.705,1062 2.854,1063 2.906,1064 2.499,1065 2.618,1066 3.747,1067 2.57,1068 2.479,1069 2.561,1070 2.436,1071 2.148,1072 3.674,1073 2.174,1074 0.214,1075 0.191,1076 0.334,1077 0.204,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.09,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.089,1092 1.941,1093 1.918,1094 2.059,1095 2.029,1096 1.318,1097 2.042,1098 1.656,1099 1.608,1100 1.868,1101 1.804,1102 0.999,1103 1.829,1104 1.353,1105 1.285,1106 1.484,1107 1.678,1108 0.538,1109 1.627,1110 1.086,1111 0.984,1112 1.417,1113 1.591,1114 0.469,1115 1.503,1116 0.996,1117 0.901,1118 1.251,1119 1.252,1120 0.218,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.239,1126 0.201,1127 1.223,1128 0.886,1129 0.804,1130 1.132,1131 1.062,1133 1.107,1134 0.662,1135 0.64,1136 0.794,1137 0.891,1139 0.875,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 3.962,1151 5.858,1156 2.629,1159 -0.163,1164 21.283,1165 58.533,1166 122.465,1167 136.955,1168 140.955,1169 140.955,1170 140.955,1171 34.269,1172 5.922,1173 83.56,1174 83.56,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 139.828,1184 232.8,1185 332.94,1186 2133,1187 3,1188 13.828,1189 0.728,1190 0.597,1191 14.328,1192 11.348,1193 9.075,1194 0.454,1195 0.313,1196 5.816,1197 8.367,1198 5.595,1199 4.722,1200 9.364,1201 6.252,1202 8.205,1203 0.304,1204 0.183,1205 8.613,1206 4.934,1207 6.212,1208 0.188,1209 0.091,1210 6.5,1211 3.011,1212 5.266,1213 0.128,1214 0.05,1215 5.432,1216 2.038,1217 3.233,1218 0.081,1219 0.029,1220 3.447,1221 1.148,1222 0.476,1223 60.522,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 317.54,1229 120.282,1230 338.535,1231 443.57,1232 312,1233 107,1234 305.047,1235 127.467,1236 315.266,1237 449.12,1238 294,1239 4}
{0 CHEMBL593827,1 1.642,2 7.684,3 3.468,4 12.024,5 76.392,6 7.937,7 0.55,8 3.636,9 3.766,10 3.246,11 3.194,12 4.764,13 3.157,14 4.138,15 4.314,16 3.599,17 3.572,18 5.225,19 3.503,20 4.392,21 4.602,22 3.586,23 3.679,24 5.429,25 3.571,26 4.467,27 4.705,28 3.582,29 3.653,30 5.593,31 3.556,32 4.452,33 4.661,34 3.496,35 3.616,36 5.657,37 3.53,38 4.443,39 4.704,40 3.415,41 3.592,42 5.404,43 3.445,44 4.266,45 4.528,46 3.457,47 3.419,48 5.347,49 3.275,50 4.02,51 4.292,52 2.703,53 3.085,54 4.934,55 2.853,56 0.052,57 0.509,58 6.764,59 3.057,60 6.628,61 4.086,62 0.131,63 0.774,64 12.911,65 5.27,66 19.825,67 7.208,68 0.215,69 0.889,70 20.185,71 6.893,72 33.483,73 9.261,74 0.247,75 0.916,76 22.357,77 7.358,78 41.305,79 10.116,80 0.37,81 0.915,82 19.515,83 6.427,84 61.626,85 8.456,86 0.241,87 0.878,88 22.274,89 7.253,90 40.776,91 10.135,92 0.307,93 0.732,94 20.771,95 5.623,96 40.025,97 8.081,98 0.258,99 0.514,100 21.04,101 4.646,102 28.542,103 6.439,104 18,105 27,106 0.304,107 0.657,108 0.773,109 0.813,110 0.813,111 0.813,112 3.01,113 0.977,114 -4.53,115 -4.46,116 -4.2,118 40,119 2,121 2,131 5,132 1,133 1,136 1,139 1,142 1,152 1,154 8,157 2,159 2,161 3,162 12,166 2,169 1,170 2,171 10,174 1,175 6,179 4,181 8,185 4,186 1,188 3,190 7,194 4,197 2,198 5,201 3,205 5,207 4,214 2,219 1,221 1,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.729,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.281,243 3.487,244 1.575,245 0.946,246 0.729,247 0.729,248 0.729,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 17.074,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.833,274 146,275 4.289,276 3.818,277 6.685,278 4.09,279 3.09,280 3.739,281 1.987,282 10.662,283 3.09,284 3.945,285 2.972,286 5.452,287 3.508,288 2.559,289 3.501,290 0.324,291 7.244,292 2.423,293 3.753,294 2.755,295 5.182,296 3.319,297 2.39,298 3.109,300 6.354,301 2.206,302 3.253,303 2.524,304 4.809,305 2.806,306 1.839,307 2.472,309 5.186,310 1.787,311 2.947,312 1.935,313 4.565,314 2.758,315 1.772,316 1.976,318 4.38,319 1.641,320 2.558,321 1.318,322 3.449,323 2.08,324 1.131,325 1.56,326 2.496,327 1.067,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.604,340 0.618,341 0.927,342 1.372,343 0.609,344 1.542,345 0.618,346 3,347 1.277,348 0.314,349 0.364,350 0.787,351 0.283,352 0.971,353 0.402,354 2.441,355 0.573,356 -0.337,357 -0.404,358 -0.819,359 -0.247,360 0.882,361 0.114,362 2,363 0.431,364 -0.525,365 -0.705,366 -1.237,367 -0.49,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.395,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.568,398 -1.398,399 -1.802,401 -3.177,402 -1.357,403 9.248,404 0.487,405 0.511,406 0.027,407 23.5,408 1.237,409 12,410 0.632,411 11.5,412 0.605,413 14.989,414 0.789,415 20.752,416 0.593,417 15.156,418 0.798,419 4.533,420 0.239,421 4.542,422 0.239,423 0.221,425 0.324,429 0.648,430 1.157,431 0.639,432 0.934,433 0.584,434 0.916,435 0.555,436 1.161,437 0.667,438 0.979,439 0.542,440 0.968,441 1.026,442 1.024,443 1.001,444 1.068,445 1.109,446 1.075,447 0.925,448 1.007,449 0.786,450 0.978,451 1.016,452 0.919,453 1.63,454 1.006,455 0.862,456 0.931,457 2.192,458 1.05,459 0.928,460 1.023,461 0.817,462 0.929,463 1.047,464 0.964,465 0.734,466 1.025,467 0.982,468 0.989,469 0.451,470 0.987,471 1.456,472 0.928,473 2.113,474 1.351,475 0.842,476 1.327,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 9368,489 1.965,490 45.7,491 7,492 5,493 1,495 2,496 1,499 1.607,500 1.81,501 2.928,502 0.393,504 1,506 1,507 57.467,508 1.642,509 3.554,510 4.183,511 4.4,512 4.4,513 4.4,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 179.525,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.5,540 1,541 0.92,542 81.822,543 0.012,544 0.077,545 0.009,546 0.031,547 -0.048,548 0.024,549 0.146,550 -0.045,551 0.067,552 -0.008,553 0.093,554 -0.003,555 -0.092,556 -0.018,557 -0.101,558 -0.089,559 -0.111,560 -0.105,561 0.054,562 -0.066,563 0.056,564 -0.019,565 0.147,566 0.057,567 -0.254,568 -0.007,569 -0.166,570 -0.039,571 -0.295,572 -0.154,573 -0.061,574 -0.11,575 0.04,576 0.029,577 -0.095,578 0.024,579 0.143,580 -0.064,581 0.101,582 -0.029,583 0.169,584 -0.014,585 -0.358,586 -0.031,587 -0.538,588 -0.322,589 -0.239,590 -0.339,591 1.732,592 5.339,593 0.579,594 12.648,595 1.004,596 1.13,597 3.3,598 10.891,599 0.676,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.637,612 277.78,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 8.6,628 1,629 1,631 1,633 6,634 1,635 1,638 3,639 11,648 1,649 35,650 12,651 1,652 20,654 36,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 16,685 3,686 2,687 5,688 1,691 3,692 1,693 1,697 1,703 1,704 1,709 1,717 2,721 2,722 1,724 19,730 1,733 2,740 1,741 2.9,744 1,747 10.5,748 6.676,749 4.25,750 2.08,751 1.704,752 1.288,753 0.941,754 4.482,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 6.995,770 2.886,771 7.839,772 13.201,774 10.469,776 2.339,777 44.444,778 0.001,781 164.795,782 87.798,783 51.337,784 39.149,785 25.145,788 87.798,789 229.089,790 51.337,791 17.65,792 18.011,793 56.429,794 46.513,795 23.349,796 14.099,797 153.024,798 39.149,799 164.795,800 139.135,801 25.145,802 39.149,804 164.795,805 25.145,807 52.324,808 70.147,809 55.812,811 164.795,812 76.482,813 126.946,815 164.795,816 13.719,817 74.079,818 34.674,819 80.957,820 164.795,821 76.482,822 126.946,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.111,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,840 13.94,841 6.11,842 3.505,844 59.819,845 10.76,846 3.928,847 2.668,850 2.149,851 34.674,852 368.224,853 26.5,856 12.339,859 -0.065,860 35.142,861 39.555,862 0.32,863 0.693,864 0.816,865 0.858,866 0.858,867 0.858,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.936,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.489,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.442,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.838,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.271,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 8.061,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.294,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.268,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.427,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.484,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.618,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.713,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.839,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.951,994 3028,995 5485,996 12.83,997 23.659,998 29.962,999 30.402,1000 30.632,1001 29.605,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 28.21,1007 5.177,1008 5.818,1009 6.3,1010 5.132,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.09,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.48,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.411,1026 3.982,1027 4.021,1028 4.015,1029 3.909,1030 7.428,1031 3.903,1032 3.866,1033 3.924,1034 3.844,1035 3.67,1036 5.027,1037 3.698,1038 3.64,1039 3.691,1040 3.627,1041 3.524,1042 4.936,1043 3.512,1044 3.289,1045 3.343,1046 3.223,1047 3.051,1048 4.355,1049 3.066,1050 2.874,1051 3.009,1052 3.146,1053 2.735,1054 4.125,1055 2.724,1056 2.865,1057 2.925,1058 2.687,1059 2.721,1060 3.832,1061 2.715,1062 2.854,1063 2.915,1064 2.499,1065 2.618,1066 3.674,1067 2.57,1068 2.536,1069 2.618,1070 2.466,1071 2.263,1072 3.468,1073 2.275,1074 0.214,1075 0.191,1076 0.334,1077 0.205,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.09,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.09,1092 1.942,1093 1.918,1094 2.059,1095 2.029,1096 1.319,1097 2.042,1098 1.659,1099 1.612,1100 1.868,1101 1.805,1102 0.999,1103 1.83,1104 1.491,1105 1.44,1106 1.655,1107 1.69,1108 0.69,1109 1.677,1110 1.315,1111 1.226,1112 1.477,1113 1.678,1114 0.51,1115 1.636,1116 1.071,1117 1.014,1118 1.417,1119 1.306,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.251,1125 1.239,1126 0.25,1127 1.295,1128 0.886,1129 0.804,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.705,1135 0.679,1136 0.874,1137 0.919,1139 0.926,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.035,1151 5.876,1156 2.802,1159 -0.047,1164 22.294,1165 57.467,1166 124.405,1167 146.405,1168 154.015,1169 154.015,1170 154.015,1171 34.92,1172 5.922,1173 57.78,1174 57.78,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 145.424,1184 245.4,1185 346.595,1186 2133,1187 2.9,1188 13.828,1189 0.728,1190 0.611,1191 14.328,1192 11.608,1193 9.075,1194 0.454,1195 0.326,1196 6.105,1197 8.494,1198 5.858,1199 4.938,1200 9.364,1201 6.516,1202 8.205,1203 0.304,1204 0.191,1205 8.613,1206 5.158,1207 6.212,1208 0.188,1209 0.096,1210 6.5,1211 3.182,1212 5.266,1213 0.128,1214 0.053,1215 5.432,1216 2.169,1217 3.233,1218 0.081,1219 0.03,1220 3.447,1221 1.201,1222 0.476,1223 59.567,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 278.25,1229 116.951,1230 302.758,1231 397.25,1232 280,1233 107,1234 265.922,1235 124.025,1236 279.266,1237 400.36,1238 262,1239 4}
{0 CHEMBL593839,1 1.796,2 9.095,3 3.652,4 13.336,5 84.632,6 9.138,7 0.5,8 3.634,9 3.736,10 3.423,11 3.307,12 4.848,13 3.242,14 4.126,15 4.275,16 3.835,17 3.681,18 5.259,19 3.587,20 4.372,21 4.55,22 3.782,23 3.762,24 5.512,25 3.65,26 4.477,27 4.699,28 3.767,29 3.714,30 5.7,31 3.62,32 4.442,33 4.638,34 3.644,35 3.688,36 5.668,37 3.584,38 4.437,39 4.678,40 3.692,41 3.711,42 5.489,43 3.535,44 4.24,45 4.454,46 3.684,47 3.588,48 5.511,49 3.404,50 3.895,51 4.067,52 3.108,53 3.302,54 5.036,55 3.109,56 0.034,57 0.491,58 5.18,59 3.061,60 8.396,61 3.624,62 0.158,63 0.794,64 12.108,65 5.413,66 21.566,67 6.678,68 0.205,69 0.938,70 20.236,71 7.418,72 37.946,73 8.705,74 0.317,75 1.012,76 22.789,77 8.046,78 51.658,79 9.917,80 0.37,81 0.996,82 18.654,83 7.228,84 60.89,85 7.874,86 0.271,87 0.978,88 24.208,89 8.687,90 51.09,91 10.377,92 0.392,93 0.838,94 28.406,95 8.064,96 62.744,97 8.415,98 0.187,99 0.534,100 19.372,101 5.151,102 27.841,103 5.835,104 30,105 30,106 0.328,107 0.699,108 0.783,109 0.804,110 0.804,111 0.804,112 3.103,113 1.04,114 -4.16,115 -4.1,116 -3.88,118 42.9,119 2,121 2,131 4,132 1,133 1,134 1,140 1,142 2,146 1,154 8,157 2,159 2,161 2,162 12,166 3,170 2,171 10,174 2,175 6,179 4,181 8,185 4,186 1,188 2,190 7,194 4,198 5,200 1,201 4,205 1,207 4,211 2,219 5,221 1,224 602,225 13.801,226 13.801,227 13.801,228 13.801,229 13.801,230 12.233,231 16.199,232 8.079,233 14.24,234 10.762,235 10.762,236 10.762,237 10.762,238 10.762,239 8.321,240 20.687,241 3.732,242 11.584,243 3.333,244 1.303,245 0.843,246 0.729,247 0.729,248 0.729,249 3.755,250 1,252 1,253 1,254 391,255 3.606,258 67.287,259 77.625,261 1.261,262 22.654,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 44.833,274 191,275 4.299,276 4.059,277 6.686,278 4.09,279 3.092,280 3.807,281 2.035,282 10.663,283 3.087,284 4.156,285 3.818,286 5.662,287 3.595,288 2.724,289 3.716,290 1.987,291 7.901,292 2.368,293 3.804,294 2.973,295 5.236,296 3.349,297 2.42,298 3.146,299 0.324,300 6.481,301 2.228,302 3.53,303 2.782,304 4.985,305 2.999,306 2.059,307 2.641,309 5.838,310 1.924,311 3.231,312 2.647,313 4.764,314 2.762,315 1.811,316 2.35,318 5.03,319 1.648,320 2.95,321 2.003,322 4.489,323 2.584,324 1.616,325 1.927,326 4.175,327 1.523,328 2.727,329 1.933,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.297,339 1.67,340 0.777,341 1.175,342 1.785,343 0.686,344 2.188,345 0.93,346 3.172,347 1.28,348 0.373,349 0.679,350 0.852,351 0.316,352 1.543,353 0.807,354 2.669,355 1.187,356 0.284,357 0.36,358 0.463,359 0.253,360 1.006,361 0.434,362 2.409,363 0.567,364 -0.328,365 -0.399,366 -0.796,367 -0.24,368 0.883,369 0.171,370 2,371 0.431,372 -0.514,373 -0.694,374 -1.212,375 -0.461,376 0.5,377 -0.322,378 1.925,380 -1,381 -1,383 -2,384 -1,385 0.259,386 -0.727,387 1.59,389 -1,390 -1.5,392 -2.86,393 -1,395 -1,396 1.559,397 -0.289,398 -1.209,399 -1.558,401 -3,402 -1.037,403 10.581,404 0.504,405 0.579,406 0.028,407 27.75,408 1.321,409 15,410 0.714,411 12.75,412 0.607,413 17.299,414 0.824,415 21.819,416 0.623,417 17.648,418 0.84,419 5.004,420 0.238,421 5.003,422 0.238,423 0.231,425 0.331,429 0.634,430 1.099,431 0.62,432 0.817,433 0.509,434 0.83,435 0.469,436 1.009,437 0.658,438 0.895,439 0.473,440 0.863,441 1.013,442 1.17,443 0.994,444 1.109,445 0.923,446 1.085,447 0.897,448 0.968,449 0.676,450 0.87,451 0.906,452 0.902,453 1.62,454 0.908,455 0.822,456 0.855,457 1.585,458 1.028,459 0.926,460 0.913,461 0.84,462 0.874,463 0.862,464 0.921,465 0.792,466 0.92,467 1.565,468 1.38,469 0.42,470 1.011,471 1.35,472 1.099,473 2.16,474 1.577,475 0.99,476 1.546,477 5,478 0.057,479 2.222,480 2.069,481 1.067,482 0.761,483 0.548,484 0.254,485 0.177,486 0.057,487 3917,488 14452,489 1.941,490 40,491 7,492 4,494 1,495 1,496 1,499 1.634,500 1.775,501 3.135,502 -0.244,504 1,506 1,507 62.864,508 1.796,509 3.826,510 4.286,511 4.4,512 4.4,513 4.4,514 2.629,515 3.975,516 4.362,517 3.265,518 685.603,519 7.488,520 7286.23,521 1,522 1,523 1,524 1,525 179.525,526 1.545,527 4.294,528 0.227,529 0.011,530 0.074,531 0.071,532 0.037,533 0.03,534 0.024,535 0.012,536 0.014,537 0.006,538 0.507,539 0.33,540 1,541 1.025,542 94.67,543 -0.046,544 -0.038,545 0.025,546 0.043,547 0.001,548 0.024,549 0.212,550 0.01,551 0.145,552 0.054,553 0.082,554 0.067,555 -0.088,556 -0.224,557 -0.097,558 -0.165,559 -0.061,560 -0.128,561 0.124,562 -0.055,563 0.108,564 -0.001,565 0.122,566 0.072,567 -0.298,568 0.061,569 -0.125,570 0.011,571 -0.242,572 -0.126,573 -0.039,574 0.001,575 0.112,576 0.145,577 -0.028,578 0.124,579 0.173,580 0.131,581 -0.131,582 -0.08,583 0.304,584 0.056,585 -0.366,586 -0.185,587 -0.675,588 -0.51,589 -0.269,590 -0.536,591 1.8,592 5.477,593 0.524,594 15.365,595 1.01,596 1.116,597 2.926,598 8.56,599 0.73,600 3.135,601 3.434,602 3.638,603 3.85,604 3.871,605 3.871,606 3.912,607 3.761,608 3.664,609 3.434,610 5.29,611 0.684,612 319.84,613 3.135,614 4.654,615 5.476,616 6.34,617 7.18,618 8.048,619 8.894,620 9.762,621 10.612,622 11.48,623 8.6,628 1,630 1,631 1,633 5,634 1,637 1,638 4,639 11,640 1,648 1,649 35,650 13,651 1,652 22,654 36,655 15,656 9,657 2,658 4,660 2,661 2,662 1,663 2,670 1,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 14,685 4,686 1,687 6,688 2,691 3,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,724 21,730 1,733 2,736 1,737 1,738 1,739 1,740 1,741 2.9,744 1,747 11.833,748 6.96,749 4.75,750 2.098,751 1.97,752 1.32,753 0.936,754 5.193,755 8.132,756 3.45,757 3.966,758 4.467,759 4.976,760 5.266,761 5.371,762 5.511,763 5.522,764 5.558,765 5.784,766 1,767 29,768 7.72,770 3.208,771 7.974,772 14.415,774 11.457,776 2.474,777 51.944,781 153.024,782 125.732,783 65.856,784 39.149,785 25.145,787 31.278,788 94.455,789 217.318,790 65.856,791 17.65,792 18.011,793 37.905,794 75.008,795 47.294,796 1.358,797 172.531,798 39.149,799 153.024,800 160.31,801 25.145,802 70.426,804 153.024,805 25.145,807 76.269,808 67.256,809 55.934,810 31.278,811 153.024,812 91.001,813 164.881,815 153.024,816 44.528,817 64.603,818 34.612,819 112.138,820 153.024,821 91.001,822 164.881,823 0.578,824 0.334,825 0.178,826 0.085,827 13,828 7,829 0.111,830 4,832 1,833 3.24,834 151.741,836 11,837 86.239,838 1,840 15.785,841 6.909,842 3.95,844 91.001,845 8.713,846 4.019,849 1.163,850 2.457,851 18.011,852 408.906,853 30.5,856 12.477,859 -0.133,860 35.334,861 39.06,862 0.35,863 0.746,864 0.836,865 0.858,866 0.858,867 0.858,868 4.68,869 0.777,870 5.468,871 2.275,872 4.111,873 4.649,874 2.788,875 6.252,876 3.984,877 5.889,878 0.373,879 7.018,880 1.785,881 3.761,882 4.369,883 1.593,884 7.149,885 3.569,886 7.182,887 0.284,888 8.666,889 0.852,890 5.68,891 6.749,892 4.034,893 10.204,894 5.465,895 8.504,896 -0.328,897 10.372,898 0.463,899 6.111,900 7.251,901 3.168,902 11.949,903 5.865,904 9.852,905 -0.514,906 12.115,907 -0.796,908 7.529,909 9.096,910 5.378,911 14.543,912 7.273,913 11.218,914 -1,915 13.888,916 -1.212,917 8.316,918 9.966,919 4.654,920 16.652,921 8.06,922 12.599,923 -1,924 15.683,925 -2,926 9.54,927 11.572,928 6.755,929 19.092,930 9.284,931 3.092,932 -1.209,933 17.496,934 -2.86,935 10.497,936 12.637,937 6.091,938 21.354,939 10.256,940 2.724,941 10.663,942 19.325,943 -3,944 11.645,945 14.12,946 8.147,947 23.743,948 11.411,949 2.42,950 7.901,951 21.167,952 3.807,953 12.683,954 15.293,955 7.5,956 26.066,957 12.468,958 2.059,959 6.481,960 23.019,961 3.716,962 13.804,963 16.71,964 9.546,965 28.438,966 13.601,967 1.811,968 5.838,969 24.879,970 3.146,971 14.881,972 17.945,973 8.894,974 30.787,975 14.695,976 1.616,977 5.03,978 26.747,979 2.641,980 15.994,981 19.324,982 10.949,983 33.154,984 15.821,985 1,986 4.175,987 28.621,988 2.35,989 17.091,990 20.596,991 10.279,992 35.512,993 16.933,994 4032,995 7869,996 13.929,997 25.546,998 34.127,999 36.022,1000 34.317,1001 32.396,1002 32.312,1003 42.602,1004 8.691,1005 90.927,1006 30.067,1007 5.187,1008 6.059,1009 6.242,1010 5.201,1011 5.092,1012 6.807,1013 4.069,1014 17.403,1015 5.087,1016 12.454,1017 1.551,1018 1.637,1019 1.56,1020 1.473,1021 1.469,1022 1.936,1023 0.395,1024 4.133,1025 1.367,1026 3.976,1027 4.002,1028 4.235,1029 3.918,1030 7.428,1031 3.905,1032 3.832,1033 3.852,1034 4.006,1035 3.822,1036 6.82,1037 3.755,1038 3.639,1039 3.688,1040 3.651,1041 3.534,1042 4.939,1043 3.52,1044 3.314,1045 3.365,1046 3.223,1047 3.082,1048 4.81,1049 3.104,1050 3.02,1051 3.076,1052 3.205,1053 2.845,1054 4.354,1055 2.858,1056 2.874,1057 3.009,1058 3.011,1059 2.735,1060 4.124,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.652,1066 3.747,1067 2.67,1068 2.822,1069 2.861,1070 2.595,1071 2.618,1072 3.674,1073 2.57,1074 0.195,1075 0.184,1076 0.304,1077 0.186,1078 0.141,1079 4.299,1080 0.173,1081 4.059,1082 0.092,1083 6.686,1084 0.485,1085 4.09,1086 0.14,1087 3.092,1088 3.807,1089 2.035,1090 10.663,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.61,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.484,1105 1.478,1106 1.516,1107 1.633,1108 0.59,1109 1.602,1110 1.362,1111 1.308,1112 1.432,1113 1.561,1114 0.515,1115 1.572,1116 1.046,1117 1.011,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.222,1126 0.298,1127 1.226,1128 0.886,1129 0.804,1130 1.12,1131 1.062,1132 0.218,1133 1.107,1134 0.721,1135 0.686,1136 0.857,1137 0.953,1139 0.946,1140 3.807,1142 5.106,1143 2.398,1144 6.583,1145 4.595,1146 8.142,1147 6.555,1148 9.745,1150 3.975,1151 5.884,1156 2.776,1159 -0.168,1162 8.782,1163 2.001,1164 23.954,1165 62.864,1166 133.915,1167 150.015,1168 154.015,1169 154.015,1170 154.015,1171 45.954,1172 6.161,1173 65.78,1174 94.02,1175 11,1176 12.028,1177 3.807,1178 3.248,1179 39.164,1180 64,1181 73,1182 0.297,1183 160.293,1184 275.93,1185 382.874,1186 2973,1187 2.9,1188 15.405,1189 0.734,1190 0.629,1191 16.259,1192 13.203,1193 10.007,1194 0.455,1195 0.347,1196 6.48,1197 9.008,1198 6.134,1199 5.157,1200 10.704,1201 7.627,1202 9.008,1203 0.3,1204 0.212,1205 10.111,1206 6.371,1207 6.964,1208 0.188,1209 0.111,1210 8.018,1211 4.094,1212 5.783,1213 0.126,1214 0.061,1215 6.684,1216 2.818,1217 3.802,1218 0.081,1219 0.033,1220 4.5,1221 1.568,1222 0.457,1223 69.095,1224 0.268,1225 20.751,1226 0.84,1227 104,1228 330.422,1229 152.993,1230 377.713,1231 491.6,1232 348,1233 119,1234 309.369,1235 155.848,1236 342.557,1237 493.23,1238 320,1239 5.699}
{0 CHEMBL594052,1 1.587,2 9.348,3 5.311,4 28.201,5 97.311,6 7.629,7 0.458,8 3.875,9 3.998,10 3.504,11 3.5,12 4.909,13 3.408,14 4.422,15 4.611,16 3.923,17 3.895,18 5.395,19 3.785,20 4.689,21 4.881,22 3.907,23 4.046,24 5.698,25 3.903,26 4.91,27 5.187,28 3.984,29 4.066,30 5.888,31 3.896,32 4.724,33 4.939,34 3.766,35 3.948,36 5.789,37 3.773,38 4.584,39 4.831,40 3.761,41 3.836,42 5.537,43 3.662,44 4.501,45 4.734,46 3.804,47 3.792,48 5.585,49 3.609,50 4.308,51 4.476,52 3.331,53 3.633,54 5.383,55 3.451,56 0.029,57 0.63,58 10.203,59 4.685,60 7.78,61 6.179,62 0.18,63 1.035,64 21.387,65 8.063,66 23.723,67 10.853,68 0.161,69 1.273,70 27.597,71 10.342,72 33.238,73 13.657,74 0.382,75 1.499,76 38.991,77 12.622,78 59.518,79 16.601,80 0.336,81 1.325,82 36.361,83 11.406,84 55.773,85 13.173,86 0.259,87 1.128,88 28.114,89 9.056,90 38.15,91 11.614,92 0.34,93 1.016,94 33.538,95 9.804,96 46.162,97 11.481,98 0.295,99 0.757,100 25.804,101 7.578,102 49.314,103 9.037,104 54,105 35,106 0.276,107 0.581,108 0.669,109 0.739,110 0.739,111 0.739,112 3.188,113 1.12,114 -5.49,115 -5.37,116 -5.01,118 39.1,119 5,121 2,122 1,131 4,132 1,133 1,135 1,139 1,142 1,146 1,154 11,157 3,159 2,161 2,162 15,166 5,170 2,171 11,174 1,175 6,179 5,181 11,185 4,188 5,190 7,194 5,198 6,201 6,205 1,207 9,215 10,219 1,221 15,224 735,225 14.403,226 14.403,227 14.403,228 14.403,229 14.403,230 12.965,231 18.938,232 8.217,233 14.824,234 11.809,235 11.809,236 11.809,237 11.809,238 11.809,239 9.62,240 24.669,241 3.871,242 12.555,243 3.937,244 2.189,245 1.682,246 1.278,247 1.278,248 1.278,249 3.836,250 1,253 1,254 437,255 4.243,258 74.487,259 86.884,261 1.437,262 19.938,265 0.75,266 1,267 1,268 1,269 1,270 1,271 1,272 0.96,273 48.333,274 215,275 4.473,276 3.819,277 7.118,278 4.311,279 3.328,280 3.92,281 1.987,282 11.699,283 3.278,284 4.28,285 3.547,286 6.685,287 4.087,288 3.086,289 3.728,290 0.324,291 10.661,292 3.086,293 3.859,294 2.97,295 5.483,296 3.423,297 2.521,298 3.191,300 7.36,301 2.287,302 3.701,303 2.747,304 5.194,305 3.279,306 2.38,307 2.973,309 6.381,310 2.105,311 3.246,312 2.484,313 4.829,314 2.801,315 1.844,316 2.455,318 5.271,319 1.76,320 2.948,321 1.935,322 4.633,323 2.758,324 1.779,325 1.977,326 4.603,327 1.641,328 2.65,329 1.484,330 4.33,331 2.245,332 1.3,333 1.672,334 3.745,335 1.21,336 2.5,337 1,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 2.167,345 0.923,346 3.293,347 1.479,348 0.688,349 1.01,350 1.682,351 0.534,352 1.543,353 0.713,354 3.171,355 1.28,356 0.321,357 0.369,358 0.815,359 0.288,360 0.992,361 0.42,362 2.697,363 0.591,364 -0.319,365 -0.382,366 -0.799,367 -0.237,368 0.883,369 0.14,370 2.428,371 0.433,372 -0.509,373 -0.671,374 -1.228,375 -0.459,376 0.5,377 -0.677,378 2,380 -1,381 -1,383 -2,384 -1,385 0.094,386 -0.945,387 2,389 -1,390 -1,392 -3,393 -1,395 -1,396 2,398 -1,399 -1,401 -3,402 -1,403 11.681,404 0.508,405 0.905,406 0.039,407 25.5,408 1.109,409 12,410 0.522,411 13.5,412 0.587,413 24.955,414 1.085,415 25.519,416 0.555,417 16.319,418 0.71,419 4.217,420 0.183,421 6.464,422 0.281,423 0.304,424 0.043,425 0.3,429 0.639,430 1.211,431 0.702,432 0.942,433 0.646,434 0.985,435 0.437,436 1.046,437 0.662,438 0.898,439 0.472,440 0.838,441 1.037,442 1.334,443 0.963,444 1.139,445 1.08,446 1.214,447 0.951,448 0.834,449 0.695,450 0.752,451 0.953,452 0.769,453 1.73,454 1.271,455 1.361,456 1.361,457 1.959,458 1.149,459 1.316,460 0.929,461 0.936,462 0.838,463 1.221,464 0.895,465 1.019,466 0.975,467 1.392,468 1.262,469 0.815,470 0.936,471 2.471,472 1.015,473 1.933,474 1.327,475 2.83,476 1.391,477 7,478 0.082,479 3.111,480 2.25,481 1.477,482 0.816,483 0.67,484 0.316,485 0.375,486 0.137,487 4975,488 13470,489 1.888,490 50,491 16,492 4,493 1,495 1,496 1,499 1.659,500 1.693,501 3.173,502 -0.326,507 72.983,508 1.587,509 3.334,510 3.842,511 4.245,512 4.245,513 4.245,514 2.653,515 3.969,516 4.496,517 3.363,518 850.799,519 7.749,520 9709.66,525 254.084,526 1.771,527 4.392,528 0.292,529 0.009,530 0.089,531 0.068,532 0.045,533 0.03,534 0.027,535 0.013,536 0.022,537 0.008,538 0.602,539 0.33,540 0.88,541 1.025,542 107.453,543 -0.016,544 -0.039,545 0.038,546 0.034,547 -0.086,548 0.019,549 0.262,550 0.039,551 0.174,552 0.094,553 0.163,554 0.161,555 -0.091,556 -0.297,557 -0.136,558 -0.224,559 -0.102,560 -0.249,561 0.08,562 0.141,563 0.158,564 0.16,565 0.113,566 0.172,567 -0.273,568 -0.165,569 -0.276,570 -0.217,571 -0.203,572 -0.196,573 -0.166,574 0.124,575 0.017,576 0.123,577 -0.146,578 0.043,579 0.151,580 0.095,581 -0.023,582 -0.041,583 0.264,584 0.075,585 -0.585,586 -0.057,587 -0.582,588 -0.285,589 -0.586,590 -0.41,591 1.697,592 5.721,593 0.478,594 17.781,595 0.992,596 1.123,597 4.258,598 18.135,599 0.681,600 3.219,601 3.584,602 3.738,603 3.932,604 3.989,605 4.025,606 4.025,607 3.932,608 3.932,609 3.761,610 5.676,611 0.621,612 350.95,613 3.219,614 4.779,615 5.602,616 6.491,617 7.335,618 8.221,619 9.074,620 9.958,621 10.815,622 11.697,623 4.3,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 46,650 12,651 1,652 24,654 47,655 18,656 9,657 2,658 4,660 2,661 2,662 1,663 5,664 1,671 10,672 8,673 2,674 1,677 1,680 1,684 23,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 5,722 1,724 23,730 1,733 2,735 1,737 1,740 1,741 2.2,744 1,747 13.583,748 9.76,749 4.917,750 2.795,751 1.772,752 1.279,753 0.913,754 5.719,755 8.133,756 3.45,757 4.021,758 4.467,759 4.976,760 5.266,761 5.371,762 5.511,763 5.522,764 5.558,765 5.784,766 1,767 33,768 8.524,770 3.526,771 7.704,772 16.39,774 13.289,776 2.204,777 50.694,781 258.964,782 135.606,783 34.796,784 39.149,785 25.145,787 31.278,788 104.328,789 323.258,790 34.796,791 44.126,792 18.011,793 45.554,794 46.635,795 9.944,796 11.771,797 278.471,798 39.149,799 258.964,800 139.125,801 25.145,802 70.426,804 258.964,805 25.145,807 65.394,808 56.945,809 55.934,810 31.278,811 258.964,812 59.941,813 174.755,815 258.964,816 45.926,817 89.68,818 18.011,819 81.079,820 258.964,821 59.941,822 174.755,823 0.602,824 0.327,825 0.163,826 0.08,827 16,828 9,829 0.106,830 5,832 1,833 3.334,834 174.776,836 11,837 93.287,838 1,840 18.251,841 7.208,842 4.694,844 59.941,845 9.466,846 4.536,849 1.467,850 3.283,851 18.011,852 493.66,853 30.5,856 12.721,859 -0.03,860 45.651,861 51.637,862 0.287,863 0.604,864 0.696,865 0.769,866 0.769,867 0.769,868 4.716,869 1,870 5.666,871 3.745,872 4.263,873 4.705,874 2.076,875 6.524,876 4.164,877 5.954,878 0.688,879 7.276,880 2.275,881 4.205,882 4.635,883 1.593,884 7.763,885 4.106,886 7.28,887 0.321,888 8.997,889 1.682,890 5.969,891 6.823,892 3.1,893 10.739,894 5.828,895 8.639,896 -0.319,897 10.783,898 0.815,899 6.648,900 7.461,901 3.168,902 12.749,903 6.526,904 10.024,905 -0.509,906 12.612,907 -0.799,908 8.006,909 9.208,910 4.312,911 15.346,912 7.861,913 11.428,914 -1,915 14.47,916 -1.228,917 8.978,918 10.168,919 4.654,920 17.629,921 8.849,922 12.847,923 -1,924 16.35,925 -2,926 10.208,927 11.722,928 5.601,929 20.115,930 10.066,931 3.328,932 -1,933 18.246,934 -3,935 11.299,936 12.851,937 6.091,938 22.495,939 11.165,940 3.086,941 11.699,942 20.153,943 -3,944 12.49,945 14.309,946 6.927,947 24.946,948 12.347,949 2.521,950 10.661,951 22.07,952 3.92,953 13.632,954 15.531,955 7.5,956 27.363,957 13.488,958 2.38,959 7.36,960 23.994,961 3.728,962 14.812,963 16.94,964 8.273,965 29.805,966 14.659,967 1.844,968 6.381,969 25.923,970 3.191,971 15.976,972 18.215,973 8.894,974 32.236,975 15.818,976 1.779,977 5.271,978 27.857,979 2.973,980 17.156,981 19.597,982 9.631,983 34.677,984 16.987,985 1.3,986 4.603,987 29.794,988 2.455,989 18.332,990 20.903,991 10.279,992 37.115,993 18.153,994 5140,995 8598,996 14.622,997 31.347,998 37.317,999 37.854,1000 37.969,1001 36.495,1002 36.495,1003 45.59,1004 4.622,1005 108.987,1006 34.378,1007 5.362,1008 5.819,1009 6.533,1010 5.42,1011 5.328,1012 6.92,1013 3.497,1014 18.733,1015 5.278,1016 15.738,1017 1.555,1018 1.577,1019 1.582,1020 1.521,1021 1.521,1022 1.9,1023 0.193,1024 4.541,1025 1.432,1026 3.986,1027 4.014,1028 4.228,1029 3.928,1030 7.428,1031 3.911,1032 3.889,1033 3.919,1034 4.006,1035 3.856,1036 4.94,1037 3.811,1038 3.654,1039 3.702,1040 3.651,1041 3.541,1042 4.837,1043 3.53,1044 3.512,1045 3.572,1046 3.5,1047 3.43,1048 4.354,1049 3.369,1050 3.243,1051 3.283,1052 3.222,1053 3.046,1054 4.211,1055 3.048,1056 2.874,1057 3.009,1058 3.145,1059 2.735,1060 4.124,1061 2.718,1062 2.874,1063 3.009,1064 2.687,1065 2.718,1066 3.696,1067 2.715,1068 2.874,1069 3.009,1070 2.499,1071 2.618,1072 3.674,1073 2.57,1074 0.186,1075 0.159,1076 0.297,1077 0.18,1078 0.139,1079 4.473,1080 0.163,1081 3.819,1082 0.083,1083 7.118,1084 0.487,1085 4.311,1086 0.137,1087 3.328,1088 3.92,1089 1.987,1090 11.699,1091 3.278,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.778,1099 1.731,1100 1.988,1101 1.916,1102 1.208,1103 1.943,1104 1.656,1105 1.609,1106 1.868,1107 1.799,1108 0.999,1109 1.828,1110 1.368,1111 1.342,1112 1.451,1113 1.6,1114 0.577,1115 1.584,1116 1.149,1117 1.115,1118 1.417,1119 1.27,1120 0.472,1121 1.311,1122 1.011,1123 0.962,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.417,1131 1.239,1132 0.469,1133 1.308,1134 0.934,1135 0.804,1136 1.263,1137 1.239,1138 0.469,1139 1.308,1140 3.892,1142 5.242,1143 2.398,1144 6.756,1145 4.595,1146 8.344,1147 6.605,1148 9.971,1150 10.414,1151 5.942,1156 2.964,1159 -0.049,1161 -0.021,1164 28.567,1165 72.983,1166 153.378,1167 176.726,1168 195.29,1169 195.29,1170 195.29,1171 54.266,1172 6.361,1173 41.99,1174 70.23,1175 11,1176 12.236,1177 3.7,1178 2.907,1179 45.232,1180 77,1181 76,1182 0.289,1183 188.13,1184 322.11,1185 450.797,1186 3869,1187 2.2,1188 17.198,1189 0.748,1190 0.685,1191 18.052,1192 15.756,1193 10.681,1194 0.445,1195 0.373,1196 7.767,1197 9.733,1198 7.192,1199 6.133,1200 11.423,1201 8.963,1202 10.796,1203 0.308,1204 0.238,1205 11.782,1206 8.345,1207 7.503,1208 0.183,1209 0.114,1210 8.42,1211 4.691,1212 6.095,1213 0.122,1214 0.069,1215 7.106,1216 3.434,1217 4.106,1218 0.077,1219 0.039,1220 4.924,1221 2.054,1222 0.448,1223 73.194,1224 0.262,1225 22.455,1226 0.807,1227 118,1228 304.777,1229 163.292,1230 352.876,1231 465.94,1232 326,1233 135,1234 300.97,1235 169.733,1236 335.253,1237 483.8,1238 311,1239 5.102}
{0 CHEMBL594074,1 1.64,2 12.25,3 6.197,4 38.4,5 117.86,6 8.669,7 0.567,8 3.98,9 4.085,10 3.716,11 3.663,12 5.071,13 3.584,14 4.502,15 4.656,16 4.16,17 4.072,18 5.555,19 3.97,20 4.776,21 4.937,22 4.121,23 4.225,24 5.811,25 4.077,26 4.978,27 5.237,28 4.141,29 4.197,30 5.979,31 4.045,32 4.833,33 5.026,34 4.08,35 4.139,36 5.983,37 4.012,38 4.857,39 5.097,40 4.102,41 4.148,42 5.812,43 3.96,44 4.682,45 4.903,46 4.155,47 4.021,48 5.766,49 3.836,50 4.419,51 4.593,52 3.68,53 3.801,54 5.492,55 3.624,56 0.011,57 0.646,58 8.625,59 4.6,60 6.639,61 5.935,62 0.148,63 1.088,64 19.067,65 8.239,66 23.056,67 10.771,68 0.152,69 1.357,70 31.205,71 11.847,72 36.641,73 14.375,74 0.333,75 1.639,76 43.127,77 14.837,78 56.697,79 18.988,80 0.391,81 1.511,82 30.839,83 11.303,84 71.172,85 12.618,86 0.262,87 1.512,88 38.94,89 13.555,90 47.889,91 16.448,92 0.454,93 1.328,94 44.324,95 12.228,96 54.067,97 12.838,98 0.273,99 0.856,100 31.797,101 8.531,102 35.399,103 10.175,104 38,105 43,106 0.276,107 0.592,108 0.683,109 0.723,110 0.75,111 0.77,112 3.374,113 1.055,114 -6.62,115 -6.44,116 -5.97,118 44,119 3,120 1,121 1,122 1,131 8,132 2,133 2,134 1,140 1,142 1,146 1,154 14,157 2,159 2,161 2,162 24,166 3,170 2,171 18,174 1,175 8,179 6,181 13,185 6,188 3,190 12,194 8,197 2,198 7,201 4,205 3,207 9,211 3,215 9,219 3,220 1,221 14,224 1252,225 18.074,226 18.074,227 18.074,228 18.074,229 18.074,230 15.822,231 21.752,232 10.501,233 18.638,234 14.815,235 14.815,236 14.815,237 14.815,238 14.815,239 11.507,240 29.722,241 5.045,242 15.875,243 4.004,244 2.126,245 1.586,246 1.346,247 1.186,248 1.066,249 4.048,250 2,254 721,255 4.123,258 89.943,259 214.281,261 1.804,262 23.625,265 0.75,266 0.83,267 0.83,268 0.7,269 0.5,270 0.83,271 1,272 0.78,273 58.667,274 343,275 4.512,276 3.904,277 7.378,278 4.432,279 3.431,280 3.826,281 1.987,282 12.793,283 3.433,284 4.162,285 3.13,286 5.781,287 3.72,288 2.805,289 3.755,290 0.68,291 8.209,292 2.614,293 3.971,294 3.038,295 5.679,296 3.54,297 2.582,298 3.575,299 0.324,300 7.663,301 2.495,302 3.905,303 2.917,304 5.414,305 3.476,306 2.543,307 3.309,309 7.149,310 2.314,311 3.557,312 2.866,313 5.162,314 3.223,315 2.278,316 2.761,318 6.305,319 2.112,320 3.412,321 2.498,322 4.972,323 2.999,324 2.099,325 2.639,326 5.877,327 1.808,328 3.276,329 2.396,330 4.831,331 2.828,332 1.895,333 2.513,334 5.397,335 1.68,336 2.985,337 1.954,338 4.602,339 2.527,340 1.589,341 2.119,342 4.638,343 1.446,344 2.5,345 1.058,346 3.617,347 2,348 1,349 1.5,350 2.275,351 1,352 2.5,353 1,354 3.414,355 2,356 1,357 1.5,358 2.275,359 1,360 2.214,361 1,362 3.414,363 1.624,364 0.748,365 1.08,366 1.801,367 0.643,368 1.647,369 0.867,370 3.278,371 1.349,372 0.399,373 0.468,374 1.128,375 0.356,376 1.414,377 0.615,378 2.886,379 1.03,380 0.142,381 0.173,383 0.342,384 0.113,385 1.011,386 0.427,387 2.595,388 0.586,389 -0.301,390 -0.363,392 -0.75,393 -0.219,394 0.904,395 0.185,396 2.481,397 0.441,398 -0.467,399 -0.59,401 -1.136,402 -0.356,403 14.395,404 0.514,405 0.953,406 0.034,407 34.75,408 1.241,409 18,410 0.643,411 16.75,412 0.598,413 28.419,414 1.015,415 29.405,416 0.588,417 23.886,418 0.853,419 6.326,420 0.226,421 6.893,422 0.246,423 0.227,424 0.035,425 0.278,429 0.597,430 1.079,431 0.603,432 0.814,433 0.594,434 0.85,435 0.479,436 0.986,437 0.613,438 0.827,439 0.507,440 0.821,441 1.026,442 1.323,443 1.145,444 1.301,445 1.087,446 1.282,447 0.756,448 0.914,449 0.642,450 0.805,451 0.817,452 0.795,453 1.748,454 1.056,455 0.885,456 0.936,457 2.223,458 1.001,459 0.935,460 1.079,461 0.885,462 0.964,463 0.974,464 0.937,465 1.146,466 1.031,467 1.295,468 1.228,469 0.917,470 0.914,471 1.553,472 1.093,473 1.857,474 1.447,475 1.207,476 1.386,477 8,478 0.198,479 3.111,480 2.819,481 1.524,482 1.066,483 0.846,484 0.418,485 0.291,486 0.232,487 9787,488 30605,489 1.984,490 44,491 9,492 8,494 1,495 1,496 3,499 1.709,500 1.816,501 3.5,502 -0.358,507 81.978,508 1.64,509 3.518,510 4.058,511 4.298,512 4.458,513 4.578,514 2.998,515 4.209,516 4.777,517 3.7,518 1398.72,519 8.3,520 18792.3,525 282.193,526 1.678,527 4.706,528 0.267,529 0.009,530 0.072,531 0.07,532 0.037,533 0.028,534 0.024,535 0.013,536 0.013,537 0.011,538 0.545,539 0.33,540 0.88,541 0.82,542 141.828,543 -0.023,544 -0.005,545 0.023,546 0.042,547 -0.065,548 0.032,549 0.188,550 0.06,551 0.136,552 0.096,553 0.122,554 0.109,555 -0.138,556 -0.317,557 -0.245,558 -0.33,559 -0.147,560 -0.339,561 0.136,562 0.048,563 0.166,564 0.134,565 0.188,566 0.202,567 -0.342,568 0.051,569 -0.143,570 0.006,571 -0.34,572 -0.118,573 -0.039,574 -0.054,575 0.053,576 0.074,577 -0.06,578 0.059,579 0.002,580 0.145,581 -0.017,582 0.023,583 0.091,584 0.081,585 -0.262,586 -0.138,587 -0.484,588 -0.43,589 -0.191,590 -0.411,591 1.734,592 6.058,593 0.607,594 27.48,595 0.999,596 1.112,597 5.389,598 29.039,599 0.724,600 3.434,601 3.784,602 3.951,603 4.205,604 4.29,605 4.304,606 4.431,607 4.382,608 4.394,609 4.407,610 6.967,611 0.668,612 433.43,613 3.434,614 4.99,615 5.814,616 6.701,617 7.541,618 8.429,619 9.277,620 10.165,621 11.018,622 11.906,623 4,628 1,631 1,633 9,634 1,637 1,638 6,639 17,648 2,649 50,650 18,651 2,652 30,654 52,655 22,656 15,657 4,658 8,660 3,661 3,662 2,663 3,664 1,669 1,671 16,672 6,673 1,674 1,677 1,680 1,684 22,685 3,686 1,687 6,688 3,691 2,692 1,693 1,703 1,704 2,709 1,717 3,719 1,721 3,722 2,724 28,729 1,730 1,733 1,735 1,737 1,740 2,741 2,744 1,747 15.417,748 9.902,749 5.972,750 2.883,751 2.773,752 1.392,753 0.954,754 6.666,755 9.846,756 3.701,757 4.294,758 4.748,759 5.295,760 5.661,761 5.731,762 6.069,763 6.27,764 6.484,765 6.771,766 1,767 40,768 10.349,770 4.361,771 7.725,772 19.797,774 16.244,776 2.225,777 62.306,781 247.193,782 165.081,783 34.796,784 78.297,785 25.145,787 31.278,788 133.804,789 350.635,790 34.796,791 26.476,792 20.545,793 75.81,794 58.406,795 22.921,796 1.358,797 266.7,798 78.297,799 247.193,800 168.6,801 25.145,802 109.575,804 247.193,805 25.145,807 56.569,808 95.245,809 95.083,810 31.278,811 247.193,812 59.941,813 243.379,815 247.193,816 53.748,817 111.333,818 18.011,819 120.228,820 247.193,821 59.941,822 243.379,823 0.595,824 0.321,825 0.17,826 0.087,827 20,828 10,829 0.115,830 6,832 1,833 3.91,834 233.522,836 17,837 121.851,838 1,840 21.132,841 8.833,842 5.716,844 59.941,845 17.002,846 4.382,849 1.489,850 5.153,851 18.011,852 550.513,853 39.5,856 13.058,859 -0.067,860 49.974,861 55.581,862 0.291,863 0.623,864 0.719,865 0.762,866 0.79,867 0.811,868 4.951,869 1.589,870 5.849,871 5.397,872 4.466,873 4.98,874 2.186,875 6.678,876 4.351,877 6.181,878 1,879 7.428,880 4.638,881 4.29,882 4.82,883 1.593,884 7.83,885 4.125,886 7.498,887 1,888 9.117,889 2.275,890 6.129,891 7.111,892 3.119,893 10.848,894 5.958,895 8.843,896 0.748,897 10.874,898 2.275,899 6.711,900 7.643,901 3.168,902 12.866,903 6.534,904 10.214,905 0.399,906 12.682,907 1.801,908 8.11,909 9.468,910 4.314,911 15.533,912 7.938,913 11.603,914 0.142,915 14.527,916 1.128,917 9.031,918 10.328,919 4.654,920 17.896,921 8.878,922 13.006,923 -0.301,924 16.404,925 0.342,926 10.286,927 11.939,928 5.601,929 20.475,930 10.144,931 3.431,932 -0.467,933 18.307,934 -0.75,935 11.368,936 12.981,937 6.091,938 22.962,939 11.249,940 2.805,941 12.793,942 20.231,943 -1.136,944 12.582,945 14.476,946 6.927,947 25.518,948 12.477,949 2.582,950 8.209,951 22.171,952 3.826,953 13.739,954 15.625,955 7.5,956 28.046,957 13.654,958 2.543,959 7.663,960 24.125,961 3.755,962 14.948,963 17.052,964 8.273,965 30.597,966 14.877,967 2.278,968 7.149,969 26.09,970 3.575,971 16.14,972 18.266,973 8.894,974 33.139,975 16.084,976 2.099,977 6.305,978 28.062,979 3.309,980 17.354,981 19.653,982 9.631,983 35.688,984 17.309,985 1.895,986 5.877,987 30.041,988 2.761,989 18.564,990 20.908,991 10.279,992 38.234,993 18.53,994 9593,995 17114,996 19.186,997 36.205,998 45.878,999 46.9,1000 46.324,1001 45.228,1002 45.022,1003 58.439,1004 5.982,1005 131.7,1006 42.027,1007 5.407,1008 5.904,1009 6.792,1010 5.556,1011 5.431,1012 6.826,1013 3.497,1014 20.42,1015 5.433,1016 16.773,1017 1.529,1018 1.563,1019 1.544,1020 1.508,1021 1.501,1022 1.948,1023 0.199,1024 4.39,1025 1.401,1026 4.005,1027 4.031,1028 4.241,1029 3.958,1030 7.428,1031 3.935,1032 3.932,1033 3.955,1034 4.01,1035 3.894,1036 4.957,1037 3.876,1038 3.773,1039 3.797,1040 3.977,1041 3.746,1042 4.931,1043 3.692,1044 3.687,1045 3.733,1046 3.694,1047 3.601,1048 4.828,1049 3.583,1050 3.331,1051 3.372,1052 3.375,1053 3.122,1054 4.387,1055 3.138,1056 3.066,1057 3.112,1058 3.281,1059 2.97,1060 4.315,1061 2.947,1062 2.874,1063 3.009,1064 3.162,1065 2.735,1066 4.199,1067 2.715,1068 2.874,1069 3.009,1070 2.687,1071 2.735,1072 3.778,1073 2.715,1074 0.15,1075 0.13,1076 0.246,1077 0.148,1078 0.114,1079 4.512,1080 0.128,1081 3.904,1082 0.066,1083 7.378,1084 0.426,1085 4.432,1086 0.114,1087 3.431,1088 3.826,1089 1.987,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.914,1099 1.893,1100 2.01,1101 1.978,1102 1.189,1103 1.999,1104 1.708,1105 1.665,1106 1.898,1107 1.834,1108 1.021,1109 1.863,1110 1.469,1111 1.457,1112 1.578,1113 1.641,1114 0.803,1115 1.609,1116 1.377,1117 1.326,1118 1.458,1119 1.546,1120 0.555,1121 1.583,1122 1.056,1123 1.022,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.851,1130 1.417,1131 1.239,1132 0.469,1133 1.308,1134 0.934,1135 0.821,1136 1.201,1137 1.238,1138 0.299,1139 1.244,1140 4.111,1142 5.451,1143 2.398,1144 6.957,1145 4.595,1146 8.541,1147 6.555,1148 10.167,1150 6.166,1151 11.939,1155 0.755,1156 2.991,1159 -0.312,1161 -0.249,1164 33.395,1165 81.978,1166 175.889,1167 202.909,1168 214.909,1169 222.909,1170 228.909,1171 59.888,1172 7.072,1173 41.99,1174 70.23,1175 17,1176 12.444,1177 4.248,1178 3.392,1179 49.813,1180 117,1181 128,1182 0.207,1183 218.657,1184 375.34,1185 525.282,1186 10844,1187 4,1188 20.311,1189 0.725,1190 0.655,1191 21.665,1192 18.329,1193 13.219,1194 0.441,1195 0.352,1196 9.061,1197 11.952,1198 8.521,1199 7.14,1200 14.205,1201 10.549,1202 13.031,1203 0.303,1204 0.227,1205 14.543,1206 9.763,1207 9.338,1208 0.183,1209 0.114,1210 10.62,1211 5.824,1212 7.986,1213 0.121,1214 0.064,1215 9.136,1216 4.23,1217 5.696,1218 0.079,1219 0.037,1220 6.727,1221 2.671,1222 0.329,1223 91.189,1224 0.228,1225 26.978,1226 0.558,1227 146,1228 392.981,1229 209.819,1230 471.219,1231 617.08,1232 436,1233 167,1234 383.823,1235 212.662,1236 432.021,1237 623.93,1238 403,1239 4.602}
{0 CHEMBL594140,1 1.859,2 9.227,3 3.377,4 11.407,5 85.653,6 9.158,7 0.478,8 3.704,9 3.796,10 3.474,11 3.324,12 4.933,13 3.275,14 4.192,15 4.327,16 3.905,17 3.703,18 5.499,19 3.626,20 4.437,21 4.6,22 3.904,23 3.792,24 5.629,25 3.699,26 4.549,27 4.754,28 3.848,29 3.752,30 5.83,31 3.67,32 4.495,33 4.692,34 3.693,35 3.712,36 5.738,37 3.612,38 4.483,39 4.715,40 3.734,41 3.727,42 5.546,43 3.565,44 4.313,45 4.512,46 3.77,47 3.614,48 5.72,49 3.452,50 4.02,51 4.169,52 3.246,53 3.346,54 5.208,55 3.193,56 0.1,57 0.509,58 5.704,59 3.48,60 12.693,61 3.813,62 0.305,63 0.82,64 12.72,65 5.873,66 46.122,67 6.992,68 0.352,69 0.96,70 22.329,71 8.143,72 47.726,73 9.008,74 0.528,75 1.036,76 25.204,77 8.591,78 67.291,79 10.292,80 0.551,81 1.023,82 19.808,83 7.419,84 67.714,85 8.399,86 0.434,87 0.986,88 25.148,89 8.824,90 62.103,91 10.418,92 0.6,93 0.848,94 29.622,95 8.303,96 94.708,97 8.754,98 0.319,99 0.554,100 20.758,101 5.775,102 44.856,103 6.101,104 41,105 32,106 0.338,107 0.712,108 0.801,109 0.821,110 0.821,111 0.821,112 3.146,113 1.021,114 -4.18,115 -4.12,116 -3.9,118 40.5,119 2,121 2,131 4,132 1,133 1,134 1,140 1,142 2,146 1,151 1,153 1,154 8,157 2,159 3,161 2,162 12,163 1,166 3,167 1,170 3,171 10,174 2,175 6,178 1,179 4,180 1,181 8,185 4,186 1,187 1,188 2,190 7,194 4,195 1,198 5,199 1,200 1,201 4,204 1,205 2,207 4,208 2,211 2,214 2,216 4,219 5,220 4,221 1,222 2,224 662,225 14.137,226 14.137,227 14.137,228 14.137,229 14.137,230 12.518,231 15.152,232 8.219,233 14.56,234 11.302,235 11.302,236 11.302,237 11.302,238 11.302,239 8.845,240 18.52,241 3.858,242 12.081,243 3.35,244 1.287,245 0.798,246 0.689,247 0.689,248 0.689,249 3.797,250 1,252 1,253 1,254 414,255 3.873,258 70.887,259 82.255,261 1.36,262 30.142,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 48.333,274 203,275 4.307,276 3.819,277 6.686,278 4.09,279 3.093,280 3.858,281 1.987,282 10.664,283 3.087,284 4.205,285 3.58,286 6.001,287 3.749,288 2.841,289 3.724,290 1.437,291 8.575,292 2.573,293 3.811,294 2.972,295 5.35,296 3.373,297 2.437,298 3.161,299 0.324,300 6.773,301 2.268,302 3.554,303 2.757,304 5.153,305 3.158,306 2.239,307 2.815,309 6.256,310 2.03,311 3.221,312 2.555,313 4.799,314 2.764,315 1.82,316 2.426,318 5.134,319 1.682,320 2.936,321 1.935,322 4.55,323 2.712,324 1.717,325 1.953,326 4.312,327 1.628,328 2.578,329 1.688,330 3.671,331 2.045,332 1.088,333 1.515,334 2.629,335 1.016,336 2.5,337 1,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 2.164,345 0.925,346 3.253,347 1.495,348 0.66,349 0.981,350 1.608,351 0.539,352 1.543,353 0.754,354 3.145,355 1.276,356 0.319,357 0.368,358 0.809,359 0.286,360 0.997,361 0.448,362 2.521,363 0.575,364 -0.321,365 -0.385,366 -0.8,367 -0.236,368 0.883,369 0.389,370 2,371 0.431,372 -0.51,373 -0.674,374 -1.226,375 -0.454,376 0.5,377 0.136,378 1.938,379 0.005,380 -1,381 -1,383 -2,384 -0.949,385 0.484,386 -0.686,387 1.775,389 -1,390 -1.275,392 -2,393 -1,394 0.085,395 -1,396 1.59,398 -1,399 -1.5,401 -3,402 -1,403 10.848,404 0.493,405 0.706,406 0.032,407 27,408 1.227,409 13.5,410 0.614,411 13.5,412 0.614,413 19.037,414 0.865,415 23.952,416 0.647,417 18.791,418 0.854,419 5.078,420 0.231,421 5.302,422 0.241,423 0.25,425 0.369,429 0.731,430 1.118,431 0.636,432 0.824,433 0.676,434 0.834,435 0.411,436 1.058,437 0.645,438 0.907,439 0.43,440 0.879,441 0.853,442 1.228,443 0.996,444 1.19,445 0.871,446 1.106,447 0.776,448 1.038,449 0.75,450 0.934,451 0.822,452 0.942,453 1.076,454 0.956,455 0.81,456 0.838,457 1.176,458 1.035,459 0.804,460 0.945,461 0.851,462 0.865,463 0.791,464 0.93,465 0.584,466 0.951,467 1.493,468 1.348,469 0.378,470 1.009,471 1.371,472 1.096,473 2.049,474 1.524,475 1.176,476 1.509,477 5.5,478 0.065,479 2.667,480 2.097,481 1.272,482 0.761,483 0.589,484 0.254,485 0.276,486 0.097,487 4444,488 17500,489 1.919,490 40.5,491 7,492 4,494 1,495 2,496 1,499 1.647,500 1.737,501 3.167,502 0.393,503 1,504 1,506 1,507 68.788,508 1.859,509 3.923,510 4.412,511 4.52,512 4.52,513 4.52,514 2.652,515 3.823,516 4.43,517 3.324,518 767.947,519 7.621,520 8474.65,521 1,522 1,523 1,524 1,525 192.75,526 1.573,527 4.349,528 0.239,529 0.009,530 0.083,531 0.068,532 0.041,533 0.029,534 0.025,535 0.011,536 0.018,537 0.007,538 0.531,539 0.33,540 1,541 1.028,542 101.106,543 -0.093,544 -0.002,545 0.011,546 0.082,547 -0.09,548 0.048,549 0.252,550 0.019,551 0.149,552 0.059,553 0.198,554 0.063,555 -0.05,556 -0.228,557 -0.066,558 -0.202,559 -0.061,560 -0.133,561 0.108,562 -0.083,563 0.069,564 -0.047,565 0.087,566 0.033,567 -0.139,568 0.073,569 -0.11,570 0.009,571 -0.157,572 -0.124,573 -0.047,574 0.011,575 0.094,576 0.129,577 -0.055,578 0.108,579 0.272,580 0.125,581 -0.098,582 -0.072,583 0.371,584 0.053,585 -0.335,586 -0.181,587 -0.64,588 -0.457,589 -0.287,590 -0.509,591 2.726,592 5.494,593 0.5,594 16.727,595 1.021,596 1.119,597 2.95,598 8.703,599 0.708,600 3.178,601 3.497,602 3.689,603 3.892,604 3.932,605 3.951,606 3.97,607 3.85,608 3.807,609 3.611,610 5.51,611 0.673,612 338.84,613 3.178,614 4.71,615 5.533,616 6.402,617 7.245,618 8.115,619 8.965,620 9.836,621 10.689,622 11.559,623 5.4,628 1,631 1,633 5,634 1,637 1,638 4,639 11,643 1,648 1,649 37,650 13,651 1,652 23,654 38,655 15,656 9,657 2,658 4,659 1,660 2,661 2,662 1,663 2,671 11,672 4,673 2,674 2,677 2,680 2,681 1,682 1,684 15,685 5,686 2,687 7,688 2,691 2,692 1,693 3,703 1,704 1,709 1,715 1,717 2,719 1,721 2,722 1,724 22,728 1,730 1,733 2,737 1,740 1,741 8.1,743 1,744 2,747 12.667,748 7.126,749 4.861,750 2.14,751 1.867,752 1.298,753 0.914,754 5.537,755 8.132,756 3.45,757 4.003,758 4.467,759 4.976,760 5.266,761 5.371,762 5.511,763 5.522,764 5.558,765 5.784,766 1,767 31,768 8.129,770 3.452,771 8.141,772 14.935,774 11.918,776 2.641,777 58.111,781 153.024,782 110.04,783 34.796,784 39.149,785 92.973,787 31.278,788 78.763,789 285.146,790 34.796,791 17.65,792 18.011,793 37.905,794 127.144,795 16.234,796 1.358,797 172.531,798 39.149,799 153.024,800 113.559,801 92.973,802 70.426,804 153.024,805 92.973,807 45.209,808 51.564,809 55.934,810 31.278,811 153.024,812 127.769,813 149.189,815 153.024,816 45.438,817 64.603,818 18.011,819 148.907,820 153.024,821 127.769,822 149.189,823 0.588,824 0.332,825 0.171,826 0.083,827 14,828 8,829 0.132,830 5,832 1,833 3.3,834 162.549,836 11,837 92.107,838 1,840 16.908,841 7.205,842 4.281,844 127.769,845 8.348,846 3.912,849 0.932,850 1.828,851 60.694,852 429.983,853 30.5,856 23.334,859 -1.278,860 37.771,861 41.395,862 0.357,863 0.753,864 0.847,865 0.868,866 0.868,867 0.868,868 4.68,869 1,870 5.541,871 2.629,872 4.174,873 4.687,874 2.493,875 6.337,876 4.058,877 5.889,878 0.66,879 7.104,880 2.275,881 3.892,882 4.511,883 1.593,884 7.261,885 3.719,886 7.188,887 0.319,888 8.765,889 1.608,890 5.759,891 6.786,892 3.425,893 10.31,894 5.559,895 8.517,896 -0.321,897 10.482,898 0.809,899 6.236,900 7.358,901 3.168,902 12.059,903 6.003,904 9.873,905 -0.51,906 12.235,907 -0.8,908 7.629,909 9.146,910 4.524,911 14.646,912 7.381,913 11.247,914 -1,915 14.015,916 -1.226,917 8.441,918 10.064,919 4.654,920 16.746,921 8.182,922 12.635,923 -1,924 15.815,925 -2,926 9.655,927 11.639,928 5.727,929 19.177,930 9.388,931 3.093,932 -1,933 17.631,934 -2,935 10.623,936 12.737,937 6.091,938 21.428,939 10.358,940 2.841,941 10.664,942 19.46,943 -3,944 11.767,945 14.204,946 6.998,947 23.807,948 11.501,949 2.437,950 8.575,951 21.299,952 3.858,953 12.808,954 15.402,955 7.5,956 26.121,957 12.55,958 2.239,959 6.773,960 23.148,961 3.724,962 13.927,963 16.813,964 8.312,965 28.485,966 13.672,967 1.82,968 6.256,969 25.004,970 3.161,971 15.004,972 18.067,973 8.894,974 30.825,975 14.758,976 1.717,977 5.134,978 26.866,979 2.815,980 16.114,981 19.446,982 9.651,983 33.186,984 15.876,985 1.088,986 4.312,987 28.733,988 2.426,989 17.209,990 20.735,991 10.279,992 35.54,993 16.98,994 4582,995 9235,996 14.334,997 26.21,998 35.114,999 35.894,1000 36.394,1001 34.545,1002 34.43,1003 44.606,1004 7.495,1005 98.068,1006 32.218,1007 5.195,1008 5.819,1009 6.1,1010 5.207,1011 5.093,1012 6.858,1013 3.497,1014 17.405,1015 5.087,1016 14.167,1017 1.527,1018 1.561,1019 1.582,1020 1.502,1021 1.497,1022 1.939,1023 0.326,1024 4.264,1025 1.401,1026 3.977,1027 4.002,1028 4.239,1029 3.918,1030 7.475,1031 3.905,1032 3.842,1033 3.853,1034 4.006,1035 3.82,1036 7.428,1037 3.755,1038 3.641,1039 3.688,1040 3.652,1041 3.534,1042 6.351,1043 3.52,1044 3.337,1045 3.371,1046 3.252,1047 3.081,1048 4.939,1049 3.107,1050 3.115,1051 3.113,1052 3.222,1053 2.838,1054 4.811,1055 2.874,1056 2.874,1057 3.009,1058 3.077,1059 2.735,1060 4.354,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.65,1066 4.124,1067 2.679,1068 2.837,1069 2.871,1070 2.596,1071 2.618,1072 3.744,1073 2.57,1074 0.187,1075 0.166,1076 0.291,1077 0.178,1078 0.134,1079 4.307,1080 0.168,1081 3.819,1082 0.086,1083 6.686,1084 0.464,1085 4.09,1086 0.134,1087 3.093,1088 3.858,1089 1.987,1090 10.664,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.61,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.479,1105 1.495,1106 1.519,1107 1.659,1108 0.633,1109 1.618,1110 1.362,1111 1.309,1112 1.435,1113 1.605,1114 0.533,1115 1.592,1116 1.046,1117 1.012,1118 1.417,1119 1.262,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.239,1126 0.298,1127 1.241,1128 0.886,1129 0.804,1130 1.13,1131 1.062,1132 0.218,1133 1.107,1134 0.73,1135 0.71,1136 0.919,1137 1.022,1139 1.022,1140 3.85,1142 5.165,1143 2.398,1144 6.65,1145 4.595,1146 8.215,1147 6.581,1148 9.822,1150 3.896,1151 5.873,1154 8.879,1156 2.684,1159 -0.297,1164 24.889,1165 68.788,1166 145.14,1167 163.24,1168 167.24,1169 167.24,1170 167.24,1171 56.472,1172 6.265,1173 79.29,1174 107.53,1175 11,1176 12.106,1177 3.807,1178 3.087,1179 42.151,1180 71,1181 70,1182 0.291,1183 164.418,1184 285.15,1185 392.94,1186 3420,1187 2.7,1188 16.276,1189 0.74,1190 0.619,1191 17.129,1192 13.611,1193 10.38,1194 0.451,1195 0.34,1196 6.662,1197 9.301,1198 6.333,1199 5.303,1200 11.077,1201 7.831,1202 9.737,1203 0.304,1204 0.205,1205 10.814,1206 6.564,1207 7.261,1208 0.186,1209 0.11,1210 8.391,1211 4.278,1212 5.953,1213 0.124,1214 0.061,1215 6.885,1216 2.907,1217 3.968,1218 0.079,1219 0.033,1220 4.719,1221 1.64,1222 0.45,1223 72.132,1224 0.264,1225 21.629,1226 0.818,1227 110,1228 382.663,1229 162.727,1230 418.007,1231 538.8,1232 384,1233 126,1234 338.627,1235 168.006,1236 368.167,1237 534.85,1238 344,1239 4.102}
{0 CHEMBL594278,1 1.693,2 10.76,3 4.278,4 18.3,5 101.624,6 8.649,7 0.63,8 3.846,9 3.952,10 3.588,11 3.51,12 4.98,13 3.447,14 4.343,15 4.494,16 3.966,17 3.881,18 5.44,19 3.797,20 4.583,21 4.769,22 3.942,23 3.979,24 5.645,25 3.869,26 4.679,27 4.898,28 4.001,29 3.969,30 5.807,31 3.854,32 4.645,33 4.842,34 3.92,35 3.929,36 5.803,37 3.809,38 4.593,39 4.827,40 3.871,41 3.894,42 5.582,43 3.717,44 4.434,45 4.65,46 3.825,47 3.772,48 5.553,49 3.603,50 4.188,51 4.35,52 3.429,53 3.585,54 5.334,55 3.431,56 0.016,57 0.598,58 7.277,59 3.848,60 6.37,61 4.754,62 0.153,63 0.983,64 16.08,65 6.651,66 20.717,67 8.398,68 0.167,69 1.159,70 23.108,71 8.871,72 34.023,73 10.941,74 0.297,75 1.28,76 27.838,77 10.017,78 46.269,79 12.374,80 0.34,81 1.283,82 26.629,83 9.326,84 57.84,85 10.221,86 0.261,87 1.191,88 28.515,89 10.105,90 39.57,91 11.991,92 0.352,93 1.031,94 32.549,95 9.49,96 42.41,97 10.136,98 0.253,99 0.71,100 22.623,101 6.578,102 36.843,103 7.562,104 18,105 37,106 0.294,107 0.642,108 0.783,109 0.838,110 0.838,111 0.838,112 3.267,113 1.025,114 -4.94,115 -4.85,116 -4.55,118 44.2,119 2,121 2,131 6,132 2,133 1,134 2,135 1,139 1,142 1,146 1,154 10,157 5,159 2,161 2,162 13,166 4,170 2,171 11,174 2,175 7,179 5,181 9,185 5,188 3,190 8,194 5,196 1,197 1,198 6,201 4,205 1,207 7,210 1,211 2,215 7,219 3,221 9,224 913,225 16.706,226 16.706,227 16.706,228 16.706,229 16.706,230 14.543,231 12.875,232 9.936,233 17.195,234 13.322,235 13.322,236 13.322,237 13.322,238 13.322,239 10.148,240 16.869,241 4.714,242 14.167,243 3.733,244 1.722,245 0.907,246 0.593,247 0.593,248 0.593,249 3.944,250 1,253 1,254 572,255 3.536,258 76.773,259 183.885,261 1.549,262 21.458,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 52.833,274 269,275 4.326,276 3.818,277 6.686,278 4.091,279 3.094,280 3.959,281 1.987,282 10.664,283 3.087,284 4.249,285 2.984,286 6.181,287 3.86,288 2.909,289 3.73,290 0.324,291 9.225,292 2.78,293 3.842,294 2.916,295 5.413,296 3.39,297 2.46,298 3.301,300 7.086,301 2.277,302 3.701,303 2.725,304 5.179,305 3.235,306 2.336,307 3.098,309 6.345,310 2.079,311 3.284,312 2.376,313 4.815,314 2.831,315 1.867,316 2.525,318 5.217,319 1.794,320 3.081,321 1.935,322 4.599,323 2.76,324 1.798,325 2.283,326 4.546,327 1.644,328 2.913,329 1.73,330 4.271,331 2.537,332 1.583,333 1.938,334 3.89,335 1.483,336 2.53,337 1.145,338 3.489,339 2.017,340 1.065,341 1.532,342 2.588,343 1.004,344 2.5,345 1,346 3.414,347 2,348 1,349 1.5,350 2.275,351 1,352 2.5,353 1,354 3.268,355 1.955,356 1,357 1.5,358 2.136,359 0.951,360 2.169,361 0.921,362 3.247,363 1.476,364 0.676,365 1.006,366 1.657,367 0.531,368 1.543,369 0.684,370 3.159,371 1.281,372 0.321,373 0.37,374 0.815,375 0.288,376 1.011,377 0.418,378 2.562,379 0.61,380 -0.309,381 -0.373,383 -0.775,384 -0.233,385 0.884,386 0.138,387 2.235,388 0.435,389 -0.494,390 -0.647,392 -1.176,393 -0.44,394 0.723,395 -0.63,396 2,397 0.24,398 -0.711,399 -0.982,401 -1.63,402 -0.662,403 12.581,404 0.503,405 0.63,406 0.025,407 33.5,408 1.34,409 18,410 0.72,411 15.5,412 0.62,413 21.004,414 0.84,415 25.819,416 0.6,417 22.377,418 0.895,419 6.228,420 0.249,421 5.814,422 0.233,423 0.163,425 0.318,429 0.651,430 1.133,431 0.632,432 0.84,433 0.591,434 0.845,435 0.554,436 1.1,437 0.734,438 0.965,439 0.57,440 0.908,441 1.06,442 1.117,443 0.924,444 0.995,445 1.105,446 1.038,447 0.951,448 0.981,449 0.762,450 0.903,451 1.045,452 0.901,453 1.71,454 1.101,455 1.019,456 1.036,457 2.059,458 1.027,459 1.021,460 0.938,461 0.979,462 0.957,463 1.078,464 0.939,465 1.029,466 0.984,467 1.584,468 1.379,469 0.739,470 0.99,471 1.624,472 0.989,473 1.925,474 1.392,475 1.562,476 1.362,477 5,478 0.074,479 2.667,480 2.035,481 1.143,482 0.879,483 0.568,484 0.297,485 0.28,486 0.157,487 7138,488 21704,489 2.038,490 41.9,491 7,492 6,493 1,494 2,495 1,496 1,499 1.68,500 1.899,501 3.372,502 -0.317,504 1,507 72.805,508 1.693,509 3.704,510 4.519,511 4.833,512 4.833,513 4.833,514 2.869,515 4.244,516 4.616,517 3.526,518 1057.78,519 7.981,520 12920.4,522 1,524 1,525 233.329,526 1.44,527 4.569,528 0.185,529 0.004,530 0.072,531 0.057,532 0.032,533 0.027,534 0.02,535 0.011,536 0.014,537 0.008,538 0.431,539 0.17,540 1,541 0.795,542 121.109,543 -0.033,544 -0.065,545 0.034,546 0.03,547 -0.055,548 0.024,549 0.175,550 -0.052,551 0.066,552 -0.031,553 0.08,554 0.008,555 -0.105,556 -0.145,557 -0.075,558 -0.092,559 -0.098,560 -0.098,561 0.106,562 -0.006,563 0.102,564 0.033,565 0.134,566 0.064,567 -0.303,568 -0.047,569 -0.133,570 -0.038,571 -0.287,572 -0.111,573 -0.045,574 0.055,575 0.06,576 0.112,577 -0.077,578 0.074,579 0.064,580 0.093,581 -0.133,582 -0.094,583 0.199,584 0.047,585 -0.273,586 -0.062,587 -0.556,588 -0.361,589 -0.229,590 -0.393,591 1.732,592 5.795,593 0.68,594 21.862,595 1.002,596 1.114,597 3.713,598 13.788,599 0.723,600 3.332,601 3.638,602 3.871,603 4.111,604 4.205,605 4.22,606 4.317,607 4.263,608 4.29,609 4.263,610 6.233,611 0.675,612 371.92,613 3.332,614 4.86,615 5.694,616 6.561,617 7.41,618 8.282,619 9.137,620 10.01,621 10.868,622 11.741,623 7,628 1,631 2,633 9,634 2,637 1,638 5,639 17,648 1,649 43,650 18,651 1,652 27,654 45,655 19,656 14,657 2,658 4,660 3,661 3,662 1,663 2,671 15,672 4,673 2,674 1,677 1,680 1,682 1,684 18,685 4,686 1,687 6,688 2,691 3,692 1,693 1,699 1,703 1,704 2,709 1,717 3,719 1,721 2,722 1,724 25,730 1,733 2,737 1,740 1,741 2.3,744 1,747 13.167,748 8.293,749 5.528,750 2.568,751 2.815,752 1.411,753 0.97,754 5.693,755 9.669,756 3.624,757 4.193,758 4.717,759 5.276,760 5.669,761 5.804,762 6.153,763 6.331,764 6.536,765 6.741,766 1,767 36,768 9.224,770 3.871,771 7.744,772 17.555,774 14.21,776 2.244,777 56.111,780 1,781 200.109,782 149.363,783 51.582,784 39.149,785 25.145,787 31.278,788 118.086,789 264.402,790 51.582,791 17.65,792 18.011,793 64.507,794 86.963,795 31.224,796 11.771,797 196.073,798 39.149,799 200.109,800 169.668,801 25.145,802 70.426,804 200.109,805 25.145,807 57.013,808 79.083,809 72.72,810 31.278,811 200.109,812 76.727,813 188.512,815 200.109,816 49.112,817 100.252,818 18.011,819 97.865,820 200.109,821 76.727,822 188.512,823 0.579,824 0.333,825 0.182,826 0.09,827 17,828 8,829 0.111,830 5,832 1,833 3.701,834 199.892,836 17,837 110.096,838 1,840 17.874,841 7.963,842 4.374,844 76.727,845 16.612,846 8.591,849 1.408,850 3.926,851 18.011,852 465.348,853 36.5,856 12.795,859 -0.065,860 43.102,861 47.89,862 0.312,863 0.683,864 0.833,865 0.891,866 0.891,867 0.891,868 4.838,869 1.065,870 5.673,871 3.89,872 4.317,873 4.879,874 2.076,875 6.46,876 4.213,877 6.034,878 1,879 7.219,880 2.588,881 3.892,882 4.527,883 1.593,884 7.341,885 3.754,886 7.321,887 1,888 8.866,889 2.275,890 5.883,891 6.993,892 3.1,893 10.426,894 5.714,895 8.641,896 0.676,897 10.574,898 2.136,899 6.275,900 7.436,901 3.168,902 12.172,903 6.097,904 9.99,905 0.321,906 12.323,907 1.657,908 7.738,909 9.362,910 4.312,911 14.768,912 7.538,913 11.361,914 -0.309,915 14.102,916 0.815,917 8.506,918 10.193,919 4.654,920 16.866,921 8.311,922 12.747,923 -0.494,924 15.902,925 -0.775,926 9.756,927 11.863,928 5.601,929 19.297,930 9.547,931 3.094,932 -0.711,933 17.719,934 -1.176,935 10.703,936 12.91,937 6.091,938 21.541,939 10.502,940 2.909,941 10.664,942 19.549,943 -1.63,944 11.865,945 14.443,946 6.927,947 23.916,948 11.656,949 2.46,950 9.225,951 21.39,952 3.959,953 12.897,954 15.614,955 7.5,956 26.222,957 12.695,958 2.336,959 7.086,960 23.24,961 3.73,962 14.025,963 17.071,964 8.273,965 28.579,966 13.819,967 1.867,968 6.345,969 25.096,970 3.301,971 15.098,972 18.317,973 8.894,974 30.912,975 14.897,976 1.798,977 5.217,978 26.958,979 3.098,980 16.213,981 19.731,982 9.631,983 33.266,984 16.01,985 1.583,986 4.546,987 28.825,988 2.525,989 17.306,990 21.022,991 10.279,992 35.611,993 17.107,994 6956,995 12264,996 17.8,997 31.068,998 40.829,999 41.411,1000 41.663,1001 40.288,1002 40.219,1003 53.486,1004 4.622,1005 112.888,1006 37.839,1007 5.214,1008 5.818,1009 6.488,1010 5.202,1011 5.094,1012 6.959,1013 3.497,1014 17.407,1015 5.087,1016 12.517,1017 1.512,1018 1.534,1019 1.543,1020 1.492,1021 1.49,1022 1.981,1023 0.171,1024 4.181,1025 1.401,1026 3.995,1027 4.023,1028 4.231,1029 3.937,1030 7.428,1031 3.919,1032 3.92,1033 3.947,1034 4.006,1035 3.873,1036 4.97,1037 3.851,1038 3.692,1039 3.73,1040 3.749,1041 3.61,1042 4.932,1043 3.577,1044 3.609,1045 3.657,1046 3.646,1047 3.525,1048 4.724,1049 3.496,1050 3.273,1051 3.316,1052 3.223,1053 3.058,1054 4.354,1055 3.07,1056 2.881,1057 3.009,1058 3.153,1059 2.784,1060 4.124,1061 2.766,1062 2.874,1063 2.927,1064 2.829,1065 2.735,1066 3.839,1067 2.715,1068 2.854,1069 2.925,1070 2.687,1071 2.676,1072 3.761,1073 2.655,1074 0.16,1075 0.141,1076 0.248,1077 0.152,1078 0.115,1079 4.326,1080 0.147,1081 3.818,1082 0.074,1083 6.686,1084 0.395,1085 4.091,1086 0.114,1087 3.094,1088 3.959,1089 1.987,1090 10.664,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.847,1099 1.815,1100 1.947,1101 1.964,1102 0.999,1103 1.962,1104 1.656,1105 1.609,1106 1.868,1107 1.8,1108 0.997,1109 1.828,1110 1.368,1111 1.347,1112 1.457,1113 1.608,1114 0.581,1115 1.587,1116 1.283,1117 1.243,1118 1.417,1119 1.39,1120 0.503,1121 1.413,1122 1.04,1123 1.013,1124 1.365,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.181,1131 1.16,1132 0.315,1133 1.203,1134 0.886,1135 0.804,1136 1.101,1137 1.062,1138 0.218,1139 1.107,1140 4.007,1142 5.313,1143 2.398,1144 6.804,1145 4.595,1146 8.375,1147 6.581,1148 9.989,1150 4.059,1151 5.952,1156 2.942,1159 -0.109,1164 29.008,1165 72.805,1166 159.29,1167 194.31,1168 207.82,1169 207.82,1170 207.82,1171 45.235,1172 6.854,1173 54.88,1174 83.12,1175 17,1176 12.285,1177 4.248,1178 3.392,1179 41.801,1180 93,1181 90,1182 0.219,1183 188.341,1184 319.23,1185 451.312,1186 8038,1187 2.3,1188 17.811,1189 0.712,1190 0.62,1191 18.665,1192 15.512,1193 12.042,1194 0.446,1195 0.342,1196 8.01,1197 11.018,1198 7.624,1199 6.392,1200 12.785,1201 9.224,1202 10.892,1203 0.294,1204 0.198,1205 11.877,1206 7.337,1207 8.635,1208 0.184,1209 0.104,1210 9.563,1211 4.88,1212 7.381,1213 0.123,1214 0.059,1215 8.306,1216 3.519,1217 5.214,1218 0.079,1219 0.032,1220 6.015,1221 2.131,1222 0.344,1223 81.861,1224 0.237,1225 24.384,1226 0.598,1227 128,1228 366.422,1229 174.679,1230 412.635,1231 550.63,1232 384,1233 148,1234 363.082,1235 184.065,1236 395.799,1237 573.74,1238 371,1239 4}
{0 CHEMBL594302,1 1.723,2 7.75,3 3.566,4 12.718,5 81.816,6 8.767,7 0.5,8 3.655,9 3.757,10 3.42,11 3.334,12 4.716,13 3.262,14 4.154,15 4.303,16 3.744,17 3.671,18 5.198,19 3.559,20 4.372,21 4.583,22 3.622,23 3.691,24 5.363,25 3.56,26 4.368,27 4.574,28 3.665,29 3.666,30 5.467,31 3.561,32 4.407,33 4.614,34 3.706,35 3.691,36 5.523,37 3.596,38 4.419,39 4.619,40 3.658,41 3.731,42 5.475,43 3.577,44 4.309,45 4.54,46 3.679,47 3.65,48 5.293,49 3.441,50 4.021,51 4.253,52 3.241,53 3.366,54 4.904,55 3.132,56 0.017,57 0.487,58 6.027,59 3.274,60 4.524,61 4.046,62 0.134,63 0.8,64 13.528,65 5.739,66 17.374,67 7.238,68 0.181,69 0.898,70 22.137,71 7.752,72 28.503,73 9.438,74 0.251,75 0.894,76 20.282,77 7.217,78 39.138,79 8.856,80 0.18,81 0.954,82 19.384,83 7.517,84 35.686,85 8.967,86 0.307,87 0.968,88 22.475,89 7.852,90 48.204,91 8.735,92 0.279,93 0.869,94 25.999,95 8.322,96 36.268,97 9.787,98 0.169,99 0.651,100 22.902,101 6.701,102 19.498,103 7.436,104 5,105 30,106 0.317,107 0.668,108 0.787,109 0.837,110 0.837,111 0.837,112 3.058,113 1.082,114 -4.78,115 -4.69,116 -4.4,118 42.9,120 3,121 2,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 10,157 2,159 2,161 2,162 12,166 2,170 2,171 11,174 1,175 5,179 3,181 8,185 6,188 4,190 9,194 3,198 8,201 5,205 1,207 5,215 2,219 1,221 1,224 566,225 13.585,226 13.585,227 13.585,228 13.585,229 13.585,230 12.082,231 12.875,232 8.11,233 14.051,234 10.871,235 10.871,236 10.871,237 10.871,238 10.871,239 8.683,240 16.869,241 3.895,242 11.674,243 3.406,244 1.493,245 0.843,246 0.571,247 0.571,248 0.571,249 3.721,250 1,252 1,253 1,254 334,255 3.162,256 42.533,258 63.763,259 72.069,261 1.175,262 17.603,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.333,274 155,275 4.25,276 3.795,277 6.475,278 4.033,279 3.034,280 3.724,281 1.987,282 10.068,283 3.029,284 3.945,285 2.967,286 5.481,287 3.588,288 2.604,289 3.501,290 0.324,291 7.364,292 2.579,293 3.758,294 2.761,295 5.443,296 3.443,297 2.551,298 3.079,300 7.201,301 2.286,302 3.567,303 2.574,304 5.117,305 3.214,306 2.315,307 2.608,309 6.213,310 2.019,311 3.253,312 2.493,313 4.797,314 2.787,315 1.836,316 2.47,318 5.134,319 1.666,320 2.59,321 1.383,322 3.833,323 2.139,324 1.211,325 1.619,326 2.899,327 1.106,328 2.5,329 1.317,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.153,337 1,338 3.327,339 1.859,340 0.872,341 1.04,342 2.154,343 0.842,344 2.118,345 0.618,346 3,347 1.416,348 0.618,349 0.927,350 1.372,351 0.486,352 1.215,353 0.439,354 2.865,355 1.028,356 0.07,357 0.076,358 0.169,359 0.061,360 0.971,361 0.365,362 2.441,363 0.558,364 -0.333,365 -0.392,366 -0.796,367 -0.25,368 0.835,369 0.018,370 2,371 0.472,372 -0.495,373 -0.639,374 -1.177,375 -0.464,376 0.5,377 -0.703,378 2,380 -1,381 -1,383 -2.938,384 -0.957,385 0.038,386 -0.898,387 1.903,389 -1,390 -1.249,392 -3,393 -1,395 -1,396 1.558,397 -0.177,398 -1.153,399 -1.5,401 -3,402 -1,403 10.181,404 0.509,405 0.452,406 0.023,407 24.5,408 1.225,409 12,410 0.6,411 12.5,412 0.625,413 16.293,414 0.815,415 21.019,416 0.601,417 14.139,418 0.707,419 4.274,420 0.214,421 5.446,422 0.272,423 0.103,425 0.295,429 0.623,430 1.081,431 0.616,432 0.801,433 0.51,434 0.827,435 0.495,436 1.211,437 0.786,438 1.092,439 0.52,440 1.078,441 1.055,442 1.022,443 0.93,444 0.959,445 1.067,446 0.978,447 1.074,448 0.946,449 0.755,450 0.869,451 1.263,452 0.928,453 1.213,454 1.032,455 0.629,456 0.832,457 1.493,458 0.862,459 1.623,460 0.934,461 1.062,462 0.919,463 1.851,464 1.029,465 0.574,466 0.994,467 1.154,468 1.143,469 0.401,470 1.029,471 0.977,472 0.986,473 1.68,474 1.375,475 0.569,476 1.132,477 4,478 0.02,479 2.056,480 1,481 0.887,482 0.639,483 0.359,484 0.165,485 0.11,486 0.047,487 3816,488 11573,489 2.107,490 42.9,491 7,492 4,493 1,494 1,495 1,496 1,499 1.624,500 2,501 2.955,502 -0.271,504 1,506 1,507 60.318,508 1.723,509 3.636,510 4.286,511 4.558,512 4.558,513 4.558,514 2.448,515 3.622,516 4.292,517 3.107,518 590.283,519 7.363,520 6133.66,521 1,522 1,523 1,524 1,525 179.525,526 1.295,527 4.266,528 0.182,529 0.01,530 0.076,531 0.04,532 0.034,533 0.023,534 0.016,535 0.008,536 0.008,537 0.012,538 0.409,539 0.33,540 1,541 0.548,542 88.032,543 -0.037,544 -0.008,545 0.033,546 0.058,547 0.004,548 0.045,549 0.193,550 -0.173,552 -0.165,553 0.1,554 -0.161,555 -0.087,556 -0.08,557 -0.053,558 -0.048,559 -0.044,560 -0.015,561 0.026,562 0.002,563 0.017,564 -0.016,565 0.018,566 0.003,567 -0.073,568 -0.061,569 0.066,570 0.038,571 -0.036,572 0.061,573 -0.349,574 0.076,575 -0.163,576 0.039,577 -0.333,578 -0.104,579 0.201,580 -0.008,581 0.036,582 -0.022,583 0.161,584 0.012,585 -0.16,586 0.037,587 -0.259,588 -0.138,589 -0.086,590 -0.069,591 1.644,592 5.482,593 0.7,594 14.3,595 1.003,596 1.114,597 3.545,598 12.569,599 0.723,600 3.135,601 3.434,602 3.584,603 3.784,604 3.912,605 3.932,606 3.932,607 3.892,608 3.807,609 3.497,610 4.939,611 0.67,612 306.84,613 3.135,614 4.654,615 5.485,616 6.344,617 7.192,618 8.055,619 8.91,620 9.775,621 10.634,622 11.5,623 5.7,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 35,650 12,651 1,652 22,654 37,655 15,656 9,657 2,658 4,660 3,661 3,662 1,666 2,667 1,669 3,671 10,672 5,673 2,674 1,677 1,680 1,681 1,682 1,684 15,685 3,686 1,687 5,688 2,691 2,692 1,693 1,701 1,703 1,704 1,709 1,717 3,719 1,722 1,724 20,729 3,730 1,733 2,737 1,740 1,741 2.9,744 1,747 10,748 6.093,749 4.389,750 2.166,751 1.606,752 1.262,753 0.982,754 4.25,755 7.737,756 3.384,757 3.907,758 4.326,759 4.808,760 5.084,761 5.142,762 5.354,763 5.432,764 5.54,765 5.627,766 1,767 25,768 7.413,770 3.181,771 7.714,772 14.342,774 12.132,776 2.214,777 44.278,778 0.001,781 164.795,782 105.374,783 34.796,784 39.149,785 25.145,787 31.278,788 74.097,789 229.089,790 34.796,792 25.614,793 45.554,794 58.406,795 16.234,796 11.771,797 172.531,798 39.149,799 164.795,800 108.893,801 25.145,802 70.426,804 164.795,805 25.145,807 35.163,808 56.945,809 55.934,810 31.278,811 164.795,812 59.941,813 144.523,815 164.795,816 50.773,817 54.601,818 18.011,819 81.079,820 164.795,821 59.941,822 144.523,823 0.578,824 0.304,825 0.158,826 0.082,827 15,828 6,829 0.135,830 5,832 1,833 3.355,834 146.611,836 14,837 80.439,838 1,840 13.872,841 6.127,842 3.956,844 59.941,845 11.112,846 4.107,849 1.437,850 2.374,851 18.011,852 369.26,853 28.5,856 12.482,859 0.022,860 35.116,861 38.976,862 0.336,863 0.709,864 0.836,865 0.889,866 0.889,867 0.889,868 4.603,869 0.872,870 5.451,871 2.275,872 4.111,873 4.59,874 2.076,875 6.209,876 3.999,877 5.787,878 0.618,879 6.98,880 2.154,881 3.761,882 4.27,883 1.593,884 7.081,885 3.619,886 7.068,887 0.07,888 8.608,889 1.372,890 5.68,891 6.635,892 3.1,893 10.078,894 5.509,895 8.376,896 -0.333,897 10.292,898 0.169,899 6.089,900 7.067,901 3.168,902 11.741,903 5.912,904 9.709,905 -0.495,906 12.012,907 -0.796,908 7.506,909 8.915,910 4.312,911 14.289,912 7.319,913 11.059,914 -1,915 13.759,916 -1.177,917 8.252,918 9.705,919 4.654,920 16.298,921 8.076,922 12.422,923 -1,924 15.524,925 -2.938,926 9.47,927 11.317,928 5.601,929 18.693,930 9.293,931 3.034,932 -1.153,933 17.305,934 -3,935 10.382,936 12.303,937 6.091,938 20.863,939 10.221,940 2.604,941 10.068,942 19.098,943 -3,944 11.517,945 13.789,946 6.927,947 23.202,948 11.361,949 2.551,950 7.364,951 20.902,952 3.724,953 12.515,954 14.891,955 7.5,956 25.448,957 12.375,958 2.315,959 7.201,960 22.716,961 3.501,962 13.618,963 16.306,964 8.273,965 27.766,966 13.485,967 1.836,968 6.213,969 24.537,970 3.079,971 14.66,972 17.478,973 8.894,974 30.046,975 14.542,976 1.211,977 5.134,978 26.366,979 2.608,980 15.753,981 18.851,982 9.631,983 32.358,984 15.643,985 1,986 2.899,987 28.2,988 2.47,989 16.822,990 20.068,991 10.279,992 34.654,993 16.721,994 3690,995 6535,996 14.909,997 25.301,998 32.95,999 33.302,1000 32.958,1001 32.288,1002 32.221,1003 41.086,1004 4.622,1005 89.699,1006 30.148,1007 5.223,1008 5.795,1009 6.09,1010 5.131,1011 5.034,1012 6.724,1013 3.497,1014 16.797,1015 5.029,1016 7.5,1017 1.498,1018 1.514,1019 1.498,1020 1.468,1021 1.465,1022 1.868,1023 0.21,1024 4.077,1025 1.37,1026 4.005,1027 4.04,1028 4.206,1029 3.936,1030 7.428,1031 3.925,1032 3.839,1033 3.879,1034 4.009,1035 3.78,1036 4.94,1037 3.748,1038 3.797,1039 3.823,1040 3.786,1041 3.763,1042 4.861,1043 3.697,1044 3.442,1045 3.471,1046 3.499,1047 3.294,1048 4.361,1049 3.299,1050 2.956,1051 3.025,1052 3.176,1053 2.742,1054 4.231,1055 2.759,1056 2.854,1057 2.925,1058 2.688,1059 2.735,1060 3.801,1061 2.715,1062 2.708,1063 2.765,1064 2.687,1065 2.57,1066 3.674,1067 2.542,1068 2.44,1069 2.487,1070 2.598,1071 2.269,1072 3.466,1073 2.224,1074 0.193,1075 0.173,1076 0.294,1077 0.183,1078 0.138,1079 4.25,1080 0.169,1081 3.795,1082 0.09,1083 6.475,1084 0.458,1085 4.033,1086 0.138,1087 3.034,1088 3.724,1089 1.987,1090 10.068,1091 3.029,1092 1.93,1093 1.909,1094 2.03,1095 2.01,1096 1.304,1097 2.022,1098 1.574,1099 1.537,1100 1.746,1101 1.738,1102 0.993,1103 1.739,1104 1.357,1105 1.342,1106 1.513,1107 1.557,1108 0.825,1109 1.548,1110 1.313,1111 1.256,1112 1.501,1113 1.445,1114 0.614,1115 1.49,1116 1.153,1117 1.064,1118 1.381,1119 1.376,1120 0.555,1121 1.429,1122 1.009,1123 0.978,1124 1.181,1125 1.142,1126 0.327,1127 1.183,1128 0.886,1129 0.821,1130 1.127,1131 1.062,1132 0.218,1133 1.107,1134 0.681,1135 0.669,1136 0.898,1137 0.866,1138 0.09,1139 0.877,1140 3.807,1141 1.946,1142 5.106,1143 3.932,1144 6.583,1145 5.733,1146 8.14,1147 7.459,1148 9.739,1151 5.92,1155 3.363,1156 2.904,1159 0.557,1164 23.46,1165 60.318,1166 127.26,1167 150.015,1168 159.525,1169 159.525,1170 159.525,1171 31.808,1172 6.131,1173 41.99,1174 70.23,1175 14,1176 12.047,1177 3.7,1178 2.907,1179 29.728,1180 55,1181 60,1182 0.251,1183 151.96,1184 257.85,1185 362.542,1186 2770,1187 2.9,1188 13.949,1189 0.697,1190 0.623,1191 14.803,1192 12.454,1193 9.72,1194 0.442,1195 0.361,1196 6.74,1197 8.742,1198 6.494,1199 5.346,1200 10.463,1201 7.937,1202 8.726,1203 0.291,1204 0.215,1205 9.744,1206 6.441,1207 6.591,1208 0.188,1209 0.119,1210 7.496,1211 4.169,1212 5.171,1213 0.12,1214 0.065,1215 5.961,1216 2.794,1217 3.805,1218 0.078,1219 0.037,1220 4.318,1221 1.799,1222 0.381,1223 67.478,1224 0.259,1225 19.843,1226 0.726,1227 104,1228 288.777,1229 148.959,1230 333.044,1231 439.21,1232 310,1233 120,1234 277.617,1235 152.396,1236 305.888,1237 443.46,1238 288,1239 5.056}
{0 CHEMBL594505,1 1.816,2 9.957,3 3.628,4 13.165,5 90.422,6 8.822,7 0.458,8 3.773,9 3.869,10 3.518,11 3.374,12 4.953,13 3.324,14 4.285,15 4.434,16 3.93,17 3.741,18 5.472,19 3.666,20 4.472,21 4.632,22 3.951,23 3.837,24 5.644,25 3.749,26 4.617,27 4.818,28 3.929,29 3.827,30 5.875,31 3.743,32 4.56,33 4.747,34 3.765,35 3.811,36 5.772,37 3.695,38 4.579,39 4.821,40 3.772,41 3.789,42 5.595,43 3.624,44 4.358,45 4.558,46 3.799,47 3.655,48 5.685,49 3.5,50 4.117,51 4.28,52 3.336,53 3.43,54 5.242,55 3.282,56 0.069,57 0.548,58 6.67,59 3.848,60 7.622,61 4.405,62 0.373,63 0.873,64 15.95,65 6.477,66 36.434,67 7.707,68 0.301,69 0.998,70 23.193,71 8.418,72 37.785,73 9.567,74 0.557,75 1.097,76 26.285,77 9.007,78 70.303,79 10.758,80 0.517,81 1.115,82 24.258,83 8.556,84 62.333,85 9.571,86 0.431,87 1.086,88 27.795,89 9.412,90 56.13,91 11.428,92 0.609,93 0.894,94 30.136,95 8.273,96 78.281,97 8.865,98 0.294,99 0.614,100 22.433,101 6.367,102 34.518,103 7.09,104 42,105 33,106 0.324,107 0.675,108 0.797,109 0.815,110 0.815,111 0.815,112 3.188,113 1.027,114 -4.42,115 -4.35,116 -4.1,118 40,119 2,121 2,123 1,131 4,132 1,133 1,134 1,140 1,142 2,146 1,154 8,156 1,157 2,159 2,161 2,162 12,166 4,170 2,171 10,174 3,175 6,179 4,181 8,185 4,186 2,188 2,190 7,194 4,198 5,200 2,201 5,205 1,207 4,211 4,219 9,221 1,224 752,225 15.008,226 15.008,227 15.008,228 15.008,229 15.008,230 13.441,231 16.139,232 8.721,233 15.581,234 11.723,235 11.723,236 11.723,237 11.723,238 11.723,239 9.259,240 18.967,241 4.013,242 12.604,243 3.506,244 1.542,245 0.857,246 0.757,247 0.757,248 0.757,249 3.841,250 1,252 1,253 1,254 466,255 4,258 74.696,259 86.983,261 1.357,262 28.486,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 50.333,274 229,275 4.31,276 3.819,277 6.686,278 4.09,279 3.093,280 3.866,281 1.987,282 10.664,283 3.087,284 4.218,285 3.652,286 6.077,287 3.778,288 2.866,289 3.725,290 1.674,291 8.811,292 2.602,293 3.816,294 2.972,295 5.378,296 3.378,297 2.443,298 3.165,299 0.324,300 6.897,301 2.271,302 3.587,303 2.758,304 5.166,305 3.184,306 2.276,307 2.854,309 6.301,310 2.042,311 3.23,312 2.562,313 4.805,314 2.766,315 1.824,316 2.437,318 5.16,319 1.696,320 2.941,321 1.935,322 4.566,323 2.733,324 1.742,325 1.963,326 4.366,327 1.633,328 2.636,329 1.697,330 3.981,331 2.152,332 1.236,333 1.617,334 3.098,335 1.109,336 2.5,337 1.46,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 2.174,345 1,346 3.276,347 1.54,348 0.702,349 1.015,350 1.668,351 0.579,352 1.543,353 0.925,354 3.161,355 1.277,356 0.326,357 0.374,358 0.818,359 0.289,360 1.467,361 0.743,362 2.575,363 1.077,364 0.155,365 0.188,366 0.211,367 0.137,368 0.997,369 0.424,370 2.324,371 0.574,372 -0.325,373 -0.392,374 -0.806,375 -0.239,376 0.883,377 0.148,378 2,379 0.431,380 -0.512,381 -0.682,383 -1.23,384 -0.46,385 0.5,386 -0.214,387 1.925,389 -1,390 -1,392 -2,393 -1,394 0.244,395 -0.692,396 1.59,398 -1,399 -1.5,401 -2.811,402 -1,403 11.348,404 0.493,405 0.668,406 0.029,407 27.75,408 1.207,409 13.5,410 0.587,411 14.25,412 0.62,413 20.383,414 0.886,415 25.252,416 0.631,417 19.695,418 0.856,419 5.305,420 0.231,421 5.613,422 0.244,423 0.254,425 0.352,429 0.686,430 1.224,431 0.633,432 0.924,433 0.57,434 0.907,435 0.649,436 0.957,437 0.664,438 0.816,439 0.548,440 0.798,441 0.853,442 1.266,443 0.99,444 1.217,445 0.942,446 1.1,447 0.948,448 0.995,449 0.75,450 0.87,451 1.144,452 0.909,453 1.08,454 1.109,455 1.027,456 1.077,457 1.361,458 1.128,459 0.823,460 0.967,461 0.847,462 0.857,463 0.843,464 0.922,465 0.668,466 0.939,467 1.523,468 1.32,469 0.462,470 0.996,471 1.276,472 1.089,473 1.892,474 1.462,475 1.061,476 1.403,477 5.5,478 0.065,479 2.889,480 2.097,481 1.272,482 0.841,483 0.589,484 0.285,485 0.276,486 0.137,487 5063,488 18607,489 1.922,490 42.5,491 7,492 7,494 1,495 1,496 1,499 1.659,500 1.747,501 3.261,502 -0.241,504 1,506 1,507 72.635,508 1.816,509 3.78,510 4.465,511 4.565,512 4.565,513 4.565,514 2.707,515 4.176,516 4.494,517 3.406,518 861.617,519 7.746,520 9861.07,521 1,522 1,523 1,524 1,525 212.877,526 1.565,527 4.417,528 0.229,529 0.006,530 0.088,531 0.064,532 0.039,533 0.03,534 0.024,535 0.012,536 0.016,537 0.009,538 0.515,539 0.17,540 1,541 1.205,542 107.782,543 -0.046,544 -0.092,545 0.031,546 0.003,547 -0.05,548 0.003,549 0.178,550 0.11,551 0.161,552 0.16,553 0.109,554 0.15,555 -0.033,556 -0.244,557 -0.053,558 -0.217,559 -0.045,560 -0.129,561 0.051,562 -0.03,563 0.067,564 0.017,565 0.028,566 0.04,567 -0.141,568 -0.034,569 -0.211,570 -0.115,571 -0.186,572 -0.203,573 -0.057,574 0.009,575 0.085,576 0.118,577 -0.062,578 0.09,579 0.234,580 0.178,581 -0.125,582 -0.06,583 0.338,584 0.03,585 -0.258,586 -0.165,587 -0.515,588 -0.398,589 -0.208,590 -0.392,591 2.138,592 5.595,593 0.478,594 18.612,595 1.016,596 1.12,597 3.193,598 10.197,599 0.699,600 3.219,601 3.526,602 3.738,603 3.932,604 3.97,605 4.007,606 4.043,607 3.912,608 3.892,609 3.761,610 5.778,611 0.66,612 352.87,613 3.219,614 4.745,615 5.572,616 6.438,617 7.283,618 8.152,619 9.004,620 9.874,621 10.729,622 11.599,623 5,628 1,631 1,633 5,634 1,637 1,638 4,639 11,644 1,648 1,649 40,650 13,651 1,652 24,654 41,655 16,656 9,657 2,658 4,659 1,660 2,661 2,662 1,663 2,671 11,672 5,673 2,674 2,677 2,680 2,681 1,682 1,684 17,685 5,686 1,687 7,688 2,691 2,692 1,693 3,703 1,704 1,709 1,717 2,719 1,721 3,722 1,724 23,730 1,731 1,733 2,737 1,740 1,741 7.5,744 2,746 1,747 13.167,748 8.093,749 5.194,750 2.298,751 1.867,752 1.293,753 0.924,754 6.136,755 8.228,756 3.481,757 4.021,758 4.501,759 4.997,760 5.289,761 5.412,762 5.573,763 5.562,764 5.612,765 5.838,766 0.857,767 33,768 8.495,770 3.532,771 8.005,772 15.768,774 12.394,776 2.505,777 57.611,780 1,781 188.338,782 127.205,783 34.796,784 39.149,785 61.29,787 31.278,788 95.927,789 288.776,790 34.796,791 28.533,792 18.011,793 37.905,794 90.742,795 27.234,796 1.358,797 207.844,798 39.149,799 188.338,800 130.723,801 61.29,802 70.426,804 188.338,805 61.29,807 45.209,808 68.729,809 55.934,810 31.278,811 188.338,812 96.086,813 166.354,815 188.338,816 51.719,817 75.486,818 18.011,819 117.224,820 188.338,821 96.086,822 166.354,823 0.582,824 0.339,825 0.174,826 0.082,827 14,828 8,829 0.146,830 6,832 1,833 3.395,834 172.308,836 11,837 98.042,838 1,840 17.892,841 7.887,842 4.519,844 96.086,845 8.595,846 4.039,849 1.082,850 2.219,851 18.011,852 450.777,853 31.5,856 24.026,859 -0.644,860 40.654,861 44.81,862 0.341,863 0.71,864 0.839,865 0.858,866 0.858,867 0.858,868 4.707,869 1,870 5.572,871 3.098,872 4.205,873 4.705,874 2.609,875 6.368,876 4.08,877 5.908,878 0.702,879 7.135,880 2.275,881 3.892,882 4.511,883 1.593,884 7.294,885 3.719,886 7.205,887 0.326,888 8.796,889 1.668,890 5.79,891 6.801,892 3.635,893 10.348,894 5.58,895 8.534,896 0.155,897 10.513,898 0.818,899 6.256,900 7.371,901 3.168,902 12.099,903 6.019,904 9.891,905 -0.325,906 12.267,907 0.211,908 7.659,909 9.159,910 4.776,911 14.687,912 7.4,913 11.266,914 -0.512,915 14.048,916 -0.806,917 8.468,918 10.079,919 4.654,920 16.786,921 8.201,922 12.655,923 -1,924 15.849,925 -1.23,926 9.685,927 11.653,928 5.977,929 19.216,930 9.406,931 3.093,932 -1,933 17.666,934 -2,935 10.653,936 12.754,937 6.091,938 21.463,939 10.376,940 2.866,941 10.664,942 19.495,943 -2.811,944 11.798,945 14.22,946 7.22,947 23.84,948 11.518,949 2.443,950 8.811,951 21.335,952 3.866,953 12.84,954 15.42,955 7.5,956 26.15,957 12.566,958 2.276,959 6.897,960 23.184,961 3.725,962 13.959,963 16.83,964 8.495,965 28.512,966 13.687,967 1.824,968 6.301,969 25.04,970 3.165,971 15.036,972 18.088,973 8.894,974 30.849,975 14.772,976 1.742,977 5.16,978 26.902,979 2.854,980 16.147,981 19.467,982 9.795,983 33.208,984 15.888,985 1.236,986 4.366,987 28.769,988 2.437,989 17.242,990 20.757,991 10.279,992 35.558,993 16.992,994 5220,995 10142,996 15.027,997 27.972,998 35.969,999 37.66,1000 38.018,1001 35.414,1002 35.326,1003 45.409,1004 7.97,1005 100.535,1006 32.891,1007 5.199,1008 5.819,1009 6.23,1010 5.214,1011 5.093,1012 6.866,1013 3.661,1014 17.405,1015 5.087,1016 14.67,1017 1.499,1018 1.569,1019 1.584,1020 1.476,1021 1.472,1022 1.892,1023 0.332,1024 4.189,1025 1.37,1026 3.978,1027 4.003,1028 4.24,1029 3.918,1030 7.434,1031 3.906,1032 3.846,1033 3.857,1034 4.006,1035 3.822,1036 7.427,1037 3.758,1038 3.643,1039 3.689,1040 3.652,1041 3.534,1042 4.939,1043 3.521,1044 3.394,1045 3.43,1046 3.322,1047 3.103,1048 4.826,1049 3.138,1050 3.237,1051 3.287,1052 3.222,1053 2.989,1054 4.476,1055 3,1056 2.906,1057 3.009,1058 3.121,1059 2.743,1060 4.354,1061 2.74,1062 2.874,1063 2.951,1064 2.697,1065 2.735,1066 4.124,1067 2.715,1068 2.854,1069 2.925,1070 2.687,1071 2.618,1072 3.744,1073 2.57,1074 0.18,1075 0.159,1076 0.279,1077 0.17,1078 0.129,1079 4.31,1080 0.161,1081 3.819,1082 0.083,1083 6.686,1084 0.444,1085 4.09,1086 0.129,1087 3.093,1088 3.866,1089 1.987,1090 10.664,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.61,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.503,1105 1.515,1106 1.627,1107 1.715,1108 0.667,1109 1.684,1110 1.362,1111 1.31,1112 1.485,1113 1.619,1114 0.561,1115 1.597,1116 1.154,1117 1.076,1118 1.417,1119 1.412,1120 0.523,1121 1.438,1122 1.039,1123 1.008,1124 1.405,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.181,1131 1.195,1132 0.298,1133 1.214,1134 0.886,1135 0.804,1136 1.106,1137 1.062,1138 0.218,1139 1.107,1140 3.892,1142 5.198,1143 2.398,1144 6.683,1145 4.595,1146 8.248,1147 6.581,1148 9.856,1150 5.247,1151 5.899,1156 2.764,1157 4.627,1159 -0.242,1164 26.416,1165 72.635,1166 151.214,1167 178.612,1168 182.612,1169 182.612,1170 182.612,1171 56.596,1172 6.361,1173 68.29,1174 96.53,1175 11,1176 12.145,1177 3.807,1178 3.087,1179 45.235,1180 78,1181 83,1182 0.284,1183 174.01,1184 302.45,1185 416.346,1186 3919,1187 2.5,1188 16.983,1189 0.738,1190 0.634,1191 17.836,1192 14.572,1193 10.918,1194 0.455,1195 0.342,1196 7.024,1197 9.761,1198 6.641,1199 5.593,1200 11.615,1201 8.22,1202 9.879,1203 0.299,1204 0.205,1205 10.956,1206 6.751,1207 7.767,1208 0.189,1209 0.108,1210 8.863,1211 4.445,1212 6.198,1213 0.124,1214 0.062,1215 7.193,1216 3.083,1217 4.097,1218 0.079,1219 0.033,1220 4.868,1221 1.722,1222 0.442,1223 75.898,1224 0.258,1225 22.551,1226 0.789,1227 114,1228 398.248,1229 167.502,1230 428.087,1231 555.56,1232 396,1233 131,1234 350.142,1235 174.335,1236 380.864,1237 553.12,1238 354,1239 5.699}
{0 CHEMBL594506,1 1.629,2 11.481,3 3.932,4 15.459,5 113.224,6 7.538,7 0.379,8 4.059,9 4.191,10 3.678,11 3.621,12 5.056,13 3.55,14 4.637,15 4.842,16 4.115,17 4.038,18 5.561,19 3.949,20 4.9,21 5.101,22 4.103,23 4.249,24 5.822,25 4.102,26 5.124,27 5.398,28 4.143,29 4.286,30 6.027,31 4.105,32 5.006,33 5.249,34 4.02,35 4.155,36 6.043,37 4.013,38 4.869,39 5.126,40 4.041,41 4.091,42 5.792,43 3.911,44 4.722,45 4.953,46 4.013,47 4.01,48 5.736,49 3.822,50 4.55,51 4.751,52 3.584,53 3.787,54 5.56,55 3.617,56 0.028,57 0.807,58 12.291,59 5.191,60 8.482,61 7.032,62 0.292,63 1.327,64 26.252,65 8.304,66 25.454,67 11.949,68 0.284,69 1.611,70 34.96,71 12.568,72 34.622,73 16.63,74 0.373,75 1.801,76 49.241,77 16.512,78 56.379,79 21.728,80 0.517,81 1.668,82 42.336,83 12.328,84 75.482,85 16.163,86 0.368,87 1.477,88 36.198,89 11.77,90 45.159,91 15.63,92 0.453,93 1.306,94 43.517,95 11.85,96 47.79,97 13.815,98 0.318,99 0.979,100 33.448,101 8.795,102 42.037,103 11.213,104 38,105 42,106 0.273,107 0.578,108 0.722,109 0.76,110 0.76,111 0.76,112 3.34,113 1.075,114 -4.61,115 -4.53,116 -4.26,118 37,119 3,121 1,122 1,123 1,124 4,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,157 3,159 2,161 2,162 15,165 2,166 2,170 2,171 11,174 1,175 7,178 1,179 5,181 10,185 5,188 2,190 9,193 2,194 6,198 6,201 5,204 1,205 1,207 5,211 5,218 1,219 4,221 1,224 1123,225 17.419,226 17.419,227 17.419,228 17.419,229 17.419,230 15.968,231 24.981,232 10.045,233 18.07,234 14.303,235 14.303,236 14.303,237 14.303,238 14.303,239 12.104,240 37.904,241 4.793,242 15.443,243 4.126,244 2.307,245 1.445,246 1.223,247 1.223,248 1.223,249 4.012,250 1,253 1,254 653,255 4,258 84.94,259 201.696,261 1.613,262 21.875,265 1,266 1,267 1,268 1,269 1,270 1,271 1,272 1,273 57.333,274 310,275 4.512,276 3.904,277 7.378,278 4.432,279 3.431,280 3.833,281 1.987,282 12.793,283 3.433,284 4.21,285 3.176,286 6.187,287 3.813,288 2.932,289 3.759,290 0.8,291 9.247,292 2.585,293 3.906,294 3.096,295 5.729,296 3.533,297 2.565,298 3.313,299 0.8,300 7.733,301 2.491,302 3.666,303 2.917,304 5.417,305 3.404,306 2.496,307 2.795,308 0.324,309 7.089,310 2.266,311 3.459,312 2.682,313 5.099,314 3.205,315 2.272,316 2.613,318 6.16,319 2.093,320 3.3,321 2.42,322 4.998,323 2.986,324 2.089,325 2.445,326 5.915,327 1.826,328 3.145,329 2.36,330 4.789,331 2.741,332 1.791,333 2.233,334 5.094,335 1.632,336 2.503,337 1.494,338 4.179,339 2.17,340 1.253,341 1.5,342 3.561,343 1.136,344 2.5,345 1.146,346 3.6,347 2,348 1,349 1.498,350 2.275,351 1,352 2.159,353 1.055,354 3.414,355 1.967,356 1,357 1.01,358 2.275,359 0.965,360 2,361 1,362 3.414,363 1.545,364 0.7,365 1,366 1.705,367 0.582,368 1.645,369 0.74,370 3.27,371 1.349,372 0.394,373 0.461,374 1.11,375 0.354,376 1.019,377 0.426,378 2.677,379 0.747,380 -0.178,381 -0.189,383 -0.403,384 -0.158,385 0.905,386 0.175,387 2.512,388 0.553,389 -0.34,390 -0.4,392 -0.835,393 -0.253,394 0.807,395 -0.04,396 2.346,397 0.437,398 -0.513,399 -0.677,401 -1.258,402 -0.467,403 13.481,404 0.499,405 0.936,406 0.035,407 30,408 1.111,409 12.5,410 0.463,411 17.5,412 0.648,413 29.555,414 1.095,415 30.319,416 0.561,417 20.713,418 0.767,419 5.391,420 0.2,421 7.345,422 0.272,423 0.226,424 0.037,425 0.282,429 0.731,430 1.483,431 0.705,432 1.036,433 0.602,434 1.028,435 0.808,436 1.012,437 0.687,438 0.8,439 0.509,440 0.787,441 1.019,442 1.155,443 1.067,444 1.166,445 1.026,446 1.225,447 0.62,448 1.002,449 0.785,450 1.008,451 0.744,452 0.899,453 1.739,454 1.021,455 1.025,456 0.977,457 2.218,458 0.966,459 0.98,460 0.987,461 0.85,462 0.868,463 1.072,464 0.923,465 1.074,466 1.073,467 1.706,468 1.5,469 0.798,470 1.029,471 2.01,472 1.225,473 1.98,474 1.437,475 2.083,476 1.392,477 7.5,478 0.107,479 3.556,480 2.597,481 1.574,482 1.129,483 0.781,484 0.441,485 0.346,486 0.228,487 8552,488 21751,489 1.984,490 50,491 9,492 15,494 1,495 1,496 1,499 1.701,500 1.81,501 3.417,502 -0.309,504 1,507 87.943,508 1.629,509 3.447,510 4.31,511 4.532,512 4.532,513 4.532,514 2.86,515 4.282,516 4.726,517 3.597,518 1262.41,519 8.204,520 16236.5,522 1,524 1,525 310.764,526 1.698,527 4.65,528 0.259,529 0.005,530 0.085,531 0.065,532 0.038,533 0.031,534 0.024,535 0.014,536 0.016,537 0.01,538 0.547,539 0.17,540 1,541 0.834,542 134.127,543 -0.009,544 -0.237,545 0.052,546 -0.034,547 -0.04,548 -0.015,549 0.092,550 0.144,551 0.162,552 0.165,553 0.118,554 0.181,555 -0.097,556 -0.065,557 -0.17,558 -0.17,559 -0.103,560 -0.231,561 0.192,562 -0.075,563 0.132,564 0.008,565 0.225,566 0.104,567 -0.286,568 0.015,569 -0.12,570 -0.002,571 -0.261,572 -0.044,573 0.015,574 0.026,575 0.096,576 0.119,577 -0.06,578 0.042,579 0.049,580 0.077,581 -0.149,582 -0.115,583 0.151,584 0.006,585 -0.403,586 -0.246,587 -0.514,588 -0.387,589 -0.376,590 -0.397,591 1.705,592 6.076,593 0.63,594 24.466,595 0.995,596 1.131,597 3.381,598 11.434,599 0.669,600 3.401,601 3.761,602 3.951,603 4.205,604 4.304,605 4.357,606 4.443,607 4.407,608 4.454,609 4.394,610 6.522,611 0.614,612 407.03,613 3.401,614 4.963,615 5.796,616 6.688,617 7.538,618 8.433,619 9.29,620 10.185,621 11.046,622 11.941,623 7.4,625 1,627 1,628 1,631 1,633 5,634 1,637 1,638 4,639 11,646 1,648 1,649 54,650 12,651 1,652 29,654 56,655 20,656 9,657 2,658 4,660 3,661 3,662 1,663 3,664 1,671 10,672 10,673 1,674 1,677 1,680 1,682 1,684 27,685 5,686 1,687 7,688 2,691 4,692 1,693 1,703 1,704 2,709 1,714 1,717 3,719 1,721 4,722 1,724 27,729 4,730 1,733 1,734 2,735 1,737 1,740 1,741 1.9,744 1,747 14.917,748 10.826,749 5.75,750 3.191,751 1.783,752 1.254,753 0.94,754 6.442,755 8.799,756 3.597,757 4.139,758 4.566,759 5.09,760 5.381,761 5.53,762 5.806,763 5.876,764 5.965,765 6.101,766 0.875,767 40,768 10.028,770 4.207,771 7.624,772 19.497,774 16.097,776 2.124,777 57.361,779 1,780 1,781 306.049,782 134.346,783 41.045,784 39.149,785 25.145,787 31.278,788 103.068,789 370.342,790 41.045,791 34.872,792 26.434,793 37.905,794 58.406,795 23.413,797 325.555,798 39.149,799 306.049,800 144.113,801 25.145,802 70.426,804 306.049,805 25.145,807 66.511,808 60.817,809 55.934,810 31.278,811 306.049,812 66.19,813 173.495,815 306.049,816 52.522,817 88.073,818 18.011,819 81.079,820 306.049,821 66.19,822 173.495,823 0.597,824 0.327,825 0.173,826 0.088,827 20,828 10,829 0.089,830 5,832 1,833 3.78,834 225.686,836 17,837 115.627,838 1,840 20.562,841 8.459,842 5.213,844 66.19,845 9.375,846 4.433,849 1.538,850 3.387,851 18.011,852 545.733,853 35.5,856 13.076,859 -0.038,860 53.738,861 61.049,862 0.283,863 0.599,864 0.749,865 0.787,866 0.787,867 0.787,868 4.873,869 1.253,870 5.838,871 5.094,872 4.443,873 4.824,874 2.292,875 6.686,876 4.311,877 6.083,878 1,879 7.431,880 3.561,881 4.29,882 4.691,883 1.738,884 7.872,885 4.124,886 7.397,887 1,888 9.134,889 2.275,890 6.125,891 6.889,892 3.141,893 10.898,894 5.914,895 8.74,896 0.7,897 10.906,898 2.275,899 6.735,900 7.483,901 3.194,902 12.926,903 6.53,904 10.112,905 0.394,906 12.726,907 1.705,908 8.131,909 9.226,910 4.319,911 15.589,912 7.903,913 11.504,914 -0.178,915 14.581,916 1.11,917 9.071,918 10.154,919 4.658,920 17.946,921 8.87,922 12.912,923 -0.34,924 16.464,925 -0.403,926 10.325,927 11.703,928 5.602,929 20.517,930 10.121,931 3.431,932 -0.513,933 18.37,934 -0.835,935 11.414,936 12.805,937 6.091,938 22.995,939 11.241,940 2.932,941 12.793,942 20.294,943 -1.258,944 12.628,945 14.257,946 6.928,947 25.545,948 12.464,949 2.565,950 9.247,951 22.232,952 3.833,953 13.786,954 15.455,955 7.501,956 28.066,957 13.648,958 2.496,959 7.733,960 24.183,961 3.759,962 14.993,963 16.855,964 8.273,965 30.613,966 14.868,967 2.272,968 7.089,969 26.143,970 3.313,971 16.184,972 18.108,973 8.894,974 33.15,975 16.079,976 2.089,977 6.16,978 28.11,979 2.795,980 17.395,981 19.48,982 9.631,983 35.697,984 17.304,985 1.791,986 5.915,987 30.084,988 2.613,989 18.603,990 20.765,991 10.279,992 38.241,993 18.527,994 8404,995 13560,996 18.493,997 36.12,998 44.631,999 45.191,1000 45.432,1001 43.947,1002 43.844,1003 52.921,1004 7.822,1005 129.91,1006 40.727,1007 5.512,1008 5.904,1009 6.792,1010 5.573,1011 5.431,1012 6.833,1013 3.497,1014 20.42,1015 5.433,1016 16.243,1017 1.539,1018 1.558,1019 1.567,1020 1.515,1021 1.512,1022 1.825,1023 0.27,1024 4.48,1025 1.404,1026 3.998,1027 4.03,1028 4.239,1029 3.931,1030 7.428,1031 3.92,1032 3.895,1033 3.943,1034 4.009,1035 3.826,1036 4.941,1037 3.777,1038 3.718,1039 3.766,1040 3.697,1041 3.604,1042 4.848,1043 3.593,1044 3.666,1045 3.72,1046 3.645,1047 3.531,1048 4.387,1049 3.514,1050 3.316,1051 3.368,1052 3.285,1053 3.094,1054 4.357,1055 3.111,1056 3.138,1057 3.233,1058 3.173,1059 2.941,1060 4.199,1061 2.91,1062 3.111,1063 3.206,1064 2.953,1065 2.897,1066 3.873,1067 2.887,1068 2.874,1069 3.009,1070 2.866,1071 2.735,1072 3.695,1073 2.717,1074 0.156,1075 0.135,1076 0.254,1077 0.153,1078 0.118,1079 4.512,1080 0.132,1081 3.904,1082 0.069,1083 7.378,1084 0.441,1085 4.432,1086 0.118,1087 3.431,1088 3.833,1089 1.987,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.78,1099 1.711,1100 1.981,1101 2.004,1102 1.29,1103 2.006,1104 1.708,1105 1.664,1106 1.898,1107 1.834,1108 1.021,1109 1.863,1110 1.38,1111 1.351,1112 1.568,1113 1.64,1114 0.825,1115 1.608,1116 1.346,1117 1.288,1118 1.513,1119 1.545,1120 0.7,1121 1.565,1122 1.153,1123 1.064,1124 1.473,1125 1.376,1126 0.565,1127 1.429,1128 1.089,1129 1.023,1130 1.417,1131 1.337,1132 0.489,1133 1.354,1134 1.024,1135 0.97,1136 1.417,1137 1.239,1138 0.469,1139 1.308,1140 4.078,1142 5.425,1143 2.398,1144 6.944,1145 4.595,1146 8.541,1147 6.581,1148 10.181,1150 8.356,1151 6.009,1155 4.063,1156 3.028,1159 -0.286,1160 4.647,1161 -0.227,1164 33.137,1165 87.943,1166 186.161,1167 232.725,1168 244.725,1169 244.725,1170 244.725,1171 55.02,1172 7.016,1173 48.47,1174 76.71,1175 17,1176 12.473,1177 3.7,1178 2.907,1179 47.015,1180 105,1181 115,1182 0.218,1183 213.51,1184 366.35,1185 512.724,1186 9718,1187 1.9,1188 19.604,1189 0.726,1190 0.663,1191 20.458,1192 17.901,1193 12.736,1194 0.439,1195 0.358,1196 9.185,1197 11.593,1198 8.661,1199 7.257,1200 13.433,1201 10.389,1202 12.584,1203 0.3,1204 0.228,1205 13.661,1206 9.579,1207 9.196,1208 0.18,1209 0.12,1210 10.256,1211 6.096,1212 7.856,1213 0.119,1214 0.066,1215 8.866,1216 4.372,1217 5.57,1218 0.076,1219 0.038,1220 6.397,1221 2.761,1222 0.343,1223 86.387,1224 0.233,1225 25.962,1226 0.597,1227 142,1228 368.068,1229 195.019,1230 410.732,1231 547.04,1232 382,1233 164,1234 358.538,1235 206.653,1236 394.095,1237 573.25,1238 366,1239 5.42}
{0 CHEMBL594507,1 1.811,2 11.607,3 3.391,4 11.5,5 113.271,6 8.501,7 0.367,8 4.037,9 4.137,10 3.877,11 3.667,12 5.053,13 3.578,14 4.623,15 4.783,16 4.242,17 4.08,18 5.794,19 3.984,20 4.926,21 5.102,22 4.192,23 4.243,24 6.007,25 4.11,26 5.074,27 5.321,28 4.196,29 4.241,30 6.139,31 4.085,32 4.919,33 5.129,34 4.135,35 4.158,36 6.037,37 4.012,38 4.872,39 5.113,40 4.191,41 4.102,42 5.893,43 3.931,44 4.714,45 4.936,46 4.093,47 3.962,48 5.896,49 3.81,50 4.473,51 4.644,52 3.664,53 3.766,54 5.598,55 3.598,56 0.086,57 0.78,58 12.278,59 5.683,60 17.083,61 6.493,62 0.38,63 1.31,64 27.283,65 9.765,66 62.873,67 11.717,68 0.499,69 1.606,70 38.237,71 13.357,72 79.648,73 15.502,74 0.711,75 1.735,76 48.668,77 15.896,78 92.826,79 19.525,80 0.578,81 1.615,82 40.061,83 12.803,84 83.155,85 14.434,86 0.499,87 1.513,88 38.955,89 12.569,90 58.15,91 15.375,92 0.635,93 1.289,94 41.754,95 11.221,96 73.031,97 12.57,98 0.449,99 0.923,100 32.494,101 8.871,102 57.109,103 10.297,104 51,105 45,106 0.304,107 0.616,108 0.739,109 0.752,110 0.752,111 0.752,112 3.374,113 1.204,114 -4.27,115 -4.21,116 -3.98,118 36.5,119 3,121 1,122 1,124 4,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,156 1,157 3,159 2,161 2,162 15,165 1,166 2,170 2,171 11,174 3,175 7,178 1,179 5,181 10,185 4,188 2,190 9,193 1,194 8,198 6,200 2,201 5,205 1,207 5,211 5,212 2,219 3,221 1,224 1210,225 17.712,226 17.712,227 17.712,228 17.712,229 17.712,230 15.923,231 22.472,232 10.001,233 18.551,234 14.782,235 14.782,236 14.782,237 14.782,238 14.782,239 11.949,240 32.48,241 4.753,242 16.209,243 3.89,244 2.027,245 1.294,246 1.217,247 1.217,248 1.217,249 4.044,250 1,253 1,254 682,255 4.301,258 89.023,259 210.45,261 1.663,262 37.84,265 1,266 1,267 1,268 1,269 0.5,270 1,271 1,272 0.93,273 60.833,274 325,275 4.687,276 5.127,277 7.378,278 4.432,279 3.431,280 4.475,281 2.95,282 12.793,283 3.433,284 4.512,285 3.904,286 6.716,287 4.075,288 3.218,289 3.832,290 1.987,291 10.904,292 2.729,293 4.198,294 3.148,295 6.166,296 3.743,297 2.875,298 3.758,299 0.8,300 9.185,301 2.51,302 3.906,303 3.066,304 5.728,305 3.528,306 2.559,307 3.313,308 0.324,309 7.727,310 2.461,311 3.625,312 2.917,313 5.405,314 3.333,315 2.407,316 2.768,318 7.041,319 2.226,320 3.399,321 2.456,322 5.07,323 3.039,324 2.133,325 2.601,326 6.045,327 1.877,328 3.209,329 2.427,330 4.801,331 2.764,332 1.812,333 2.365,334 5.141,335 1.648,336 2.601,337 2.384,338 4.236,339 2.232,340 1.307,341 1.608,342 3.721,343 1.192,344 2.5,345 1.529,346 3.802,347 2,348 1,349 1.5,350 2.372,351 1,352 2.177,353 1.055,354 3.603,355 1.938,356 1,357 1.027,358 2.275,359 0.924,360 2,361 1,362 3.414,363 1.562,364 0.709,365 1,366 1.721,367 0.594,368 1.646,369 0.746,370 3.272,371 1.349,372 0.395,373 0.462,374 1.113,375 0.354,376 1.238,377 0.428,378 2.832,379 0.898,380 -0.037,381 -0.044,383 -0.094,384 -0.034,385 1,386 0.381,387 2.623,388 0.563,389 -0.328,390 -0.393,392 -0.822,393 -0.238,394 0.974,395 0.241,396 2.496,397 0.437,398 -0.509,399 -0.677,401 -1.256,402 -0.459,403 14.081,404 0.503,405 1.123,406 0.04,407 33.25,408 1.188,409 15.5,410 0.554,411 17.75,412 0.634,413 29.914,414 1.068,415 31.519,416 0.606,417 23.814,418 0.851,419 5.638,420 0.201,421 7.412,422 0.265,423 0.228,424 0.095,425 0.241,429 0.535,430 1.346,431 0.728,432 1.082,433 0.601,434 0.969,435 0.601,436 1.133,437 0.838,438 1.024,439 0.518,440 0.883,441 1.169,442 1.176,443 1.102,444 1.144,445 1.191,446 1.193,447 0.771,448 0.908,449 0.748,450 0.852,451 0.87,452 0.874,453 1.265,454 1.052,455 0.919,456 0.922,457 1.216,458 1.04,459 0.741,460 1.043,461 0.781,462 0.9,463 0.687,464 0.916,465 0.923,466 0.973,467 1.289,468 1.153,469 0.724,470 0.909,471 1.336,472 1.198,473 1.828,474 1.38,475 1.114,476 1.433,477 9,478 0.131,479 4,480 2.785,481 1.766,482 1.24,483 0.863,484 0.513,485 0.371,486 0.268,487 9423,488 31044,489 1.956,490 46.2,491 9,492 12,494 1,495 1,496 1,499 1.71,500 1.768,501 3.439,502 -0.252,504 1,507 94.163,508 1.811,509 3.673,510 4.407,511 4.483,512 4.483,513 4.483,514 2.882,515 4.138,516 4.779,517 3.645,518 1377.96,519 8.306,520 18281.4,522 1,524 1,525 296.423,526 1.796,527 4.685,528 0.3,529 0.006,530 0.089,531 0.066,532 0.042,533 0.034,534 0.025,535 0.016,536 0.016,537 0.011,538 0.604,539 0.17,540 1,541 0.843,542 141.068,543 0.053,544 -0.124,545 0.126,546 -0.009,547 -0.094,548 0.024,549 0.177,550 0.002,551 0.069,552 0.011,553 0.199,554 0.096,555 -0.188,556 -0.141,557 -0.219,558 -0.183,559 -0.168,560 -0.234,561 0.106,562 0.012,563 0.092,564 0.06,565 0.036,566 0.111,567 -0.251,568 0.005,569 -0.106,570 -0.002,571 -0.187,572 -0.116,573 0.046,574 -0.037,575 0.14,576 0.062,577 -0.005,578 0.065,579 0.063,580 0.122,581 -0.061,582 -0.026,583 0.093,584 0.077,585 -0.194,586 -0.234,587 -0.506,588 -0.383,589 -0.164,590 -0.445,591 3.85,592 6.045,593 0.607,594 25.786,595 1.009,596 1.125,597 3.041,598 9.249,599 0.691,600 3.434,601 3.829,602 3.989,603 4.234,604 4.357,605 4.431,606 4.489,607 4.477,608 4.543,609 4.466,610 6.753,611 0.639,612 442.05,613 3.434,614 5.017,615 5.849,616 6.756,617 7.605,618 8.51,619 9.367,620 10.27,621 11.132,622 12.034,623 5.8,627 1,628 1,631 1,633 5,634 1,637 1,638 4,639 11,646 1,648 1,649 52,650 14,651 1,652 30,654 54,655 19,656 9,657 2,658 4,660 3,661 3,662 1,663 3,664 1,671 10,672 9,673 1,674 3,676 1,677 3,680 1,682 1,684 24,685 6,686 1,687 9,688 3,691 3,692 1,693 3,703 1,704 2,709 1,717 3,719 2,721 3,722 1,724 28,726 1,729 4,730 1,733 1,734 1,735 1,737 1,740 1,741 5.8,744 3,747 15.833,748 10.126,749 5.833,750 3.013,751 1.959,752 1.275,753 0.95,754 6.377,755 9.073,756 3.676,757 4.287,758 4.626,759 5.127,760 5.435,761 5.621,762 5.884,763 6.017,764 6.182,765 6.229,766 0.875,767 42,768 10.566,770 4.73,771 7.938,772 19.883,774 16.937,776 2.438,777 68.278,780 1,781 270.735,782 129.584,783 37.921,784 39.149,785 69.458,787 37.324,788 92.26,789 379.342,790 37.921,791 26.476,792 24.022,793 43.951,794 102.719,795 20.288,797 290.242,798 39.149,799 270.735,800 130.181,801 69.458,802 76.472,804 270.735,805 69.458,807 60.975,808 52.42,809 61.98,810 31.278,811 270.735,812 107.378,813 168.732,814 6.046,815 270.735,816 50.11,817 76.552,818 18.011,819 125.392,820 270.735,821 107.378,822 168.732,823 0.608,824 0.324,825 0.165,826 0.086,827 22,828 11,829 0.093,830 5,832 1,833 3.819,834 238.415,836 17,837 119.851,838 1,839 1,840 21.538,841 8.29,842 5.47,844 107.378,845 9.009,846 4.314,849 1.36,850 2.901,851 18.011,852 546.846,853 38.5,855 -2.934,856 36.242,859 -0.128,860 52.483,861 58.474,862 0.318,863 0.644,864 0.773,865 0.787,866 0.787,867 0.787,868 4.968,869 1.307,870 5.932,871 5.141,872 4.511,873 4.973,874 3.271,875 6.817,876 4.349,877 6.229,878 1,879 7.554,880 3.721,881 4.511,882 5.165,883 1.668,884 8.167,885 4.273,886 7.597,887 1,888 9.289,889 2.372,890 6.275,891 7.225,892 5.16,893 11.122,894 5.985,895 8.997,896 0.709,897 11.089,898 2.275,899 6.995,900 8.145,901 3.181,902 13.215,903 6.66,904 10.426,905 0.395,906 12.931,907 1.721,908 8.359,909 9.802,910 7.239,911 15.835,912 7.99,913 11.873,914 -0.037,915 14.803,916 1.113,917 9.358,918 11.017,919 4.656,920 18.194,921 8.973,922 13.335,923 -0.328,924 16.697,925 -0.094,926 10.6,927 12.545,928 9.371,929 20.733,930 10.2,931 3.431,932 -0.509,933 18.607,934 -0.822,935 11.715,936 13.891,937 6.091,938 23.193,939 11.317,940 3.218,941 12.793,942 20.53,943 -1.256,944 12.922,945 15.377,946 11.521,947 25.718,948 12.524,949 2.875,950 10.904,951 22.465,952 4.475,953 14.086,954 16.787,955 7.501,956 28.219,957 13.701,958 2.559,959 9.185,960 24.408,961 3.832,962 15.287,963 18.261,964 13.679,965 30.745,966 14.911,967 2.407,968 7.727,969 26.358,970 3.758,971 16.475,972 19.705,973 8.894,974 33.265,975 16.115,976 2.133,977 7.041,978 28.315,979 3.313,980 17.677,981 21.18,982 15.84,983 35.796,984 17.333,985 1.812,986 6.045,987 30.277,988 2.768,989 18.877,990 22.642,991 10.279,992 38.327,993 18.55,994 9295,995 17046,996 18.781,997 35.909,998 46.118,999 48.942,1000 47.184,1001 45.829,1002 45.691,1003 57.418,1004 12.122,1005 140.076,1006 41.899,1007 5.687,1008 7.127,1009 6.792,1010 5.577,1011 5.431,1012 7.475,1013 5.9,1014 20.42,1015 5.433,1016 18.119,1017 1.537,1018 1.631,1019 1.573,1020 1.528,1021 1.523,1022 1.914,1023 0.404,1024 4.669,1025 1.397,1026 4.075,1027 4.068,1028 4.734,1029 4.062,1030 7.713,1031 3.949,1032 3.975,1033 3.991,1034 4.229,1035 3.92,1036 7.428,1037 3.896,1038 3.799,1039 3.808,1040 4.009,1041 3.783,1042 6.999,1043 3.698,1044 3.689,1045 3.734,1046 3.694,1047 3.601,1048 4.94,1049 3.582,1050 3.347,1051 3.383,1052 3.307,1053 3.118,1054 4.846,1055 3.133,1056 3.173,1057 3.206,1058 3.256,1059 2.983,1060 4.387,1061 2.956,1062 3.111,1063 3.203,1064 3.126,1065 2.941,1066 4.199,1067 2.91,1068 2.874,1069 3.009,1070 2.866,1071 2.735,1072 4.13,1073 2.715,1074 0.156,1075 0.171,1076 0.246,1077 0.148,1078 0.114,1079 4.687,1080 0.149,1081 5.127,1082 0.098,1083 7.378,1084 0.426,1085 4.432,1086 0.114,1087 3.431,1088 4.475,1089 2.95,1090 12.793,1091 3.433,1092 1.953,1093 1.93,1094 2.076,1095 2.041,1096 1.42,1097 2.086,1098 1.912,1099 1.927,1100 1.919,1101 2.026,1102 1.344,1103 2.055,1104 1.708,1105 1.665,1106 1.898,1107 1.834,1108 1.021,1109 1.863,1110 1.397,1111 1.404,1112 1.513,1113 1.64,1114 0.825,1115 1.608,1116 1.373,1117 1.321,1118 1.48,1119 1.521,1120 0.691,1121 1.551,1122 1.153,1123 1.064,1124 1.417,1125 1.376,1126 0.552,1127 1.429,1128 1.056,1129 1.023,1130 1.417,1131 1.27,1132 0.469,1133 1.308,1134 0.934,1135 0.907,1136 1.37,1137 1.239,1138 0.469,1139 1.308,1140 4.111,1142 5.485,1143 2.398,1144 7.024,1145 4.595,1146 8.636,1147 6.581,1148 10.288,1150 6.063,1151 5.983,1155 1.2,1156 2.928,1159 -0.364,1160 1.995,1161 -0.292,1164 33.205,1165 94.163,1166 191,1167 229.139,1168 233.139,1169 233.139,1170 233.139,1171 76.809,1172 7.114,1173 79.37,1174 115.99,1175 17,1176 12.562,1177 3.907,1178 3.248,1179 49.777,1180 114,1181 108,1182 0.215,1183 216.247,1184 374.14,1185 519.402,1186 10993,1187 1.9,1188 20.527,1189 0.733,1190 0.661,1191 21.63,1192 18.495,1193 13.049,1194 0.435,1195 0.401,1196 9.185,1197 11.11,1198 8.552,1199 7.093,1200 14.6,1201 12.042,1202 13.566,1203 0.301,1204 0.261,1205 15.975,1206 11.732,1207 9.519,1208 0.18,1209 0.142,1210 11.401,1211 7.546,1212 7.992,1213 0.118,1214 0.081,1215 9.64,1216 5.479,1217 5.762,1218 0.075,1219 0.052,1220 7.373,1221 4.017,1222 0.339,1223 97.105,1224 0.231,1225 26.784,1226 0.584,1227 150,1228 452.754,1229 238.23,1230 506.904,1231 660.52,1232 464,1233 173,1234 409.159,1235 255.82,1236 470.547,1237 678.72,1238 437,1239 5.62}
{0 CHEMBL594514,1 1.444,2 8.4,3 4.484,4 20.11,5 82.391,6 7.574,7 0.571,8 3.689,9 3.807,10 3.264,11 3.32,12 4.776,13 3.258,14 4.195,15 4.361,16 3.612,17 3.692,18 5.234,19 3.599,20 4.494,21 4.7,22 3.667,23 3.825,24 5.503,25 3.704,26 4.573,27 4.817,28 3.613,29 3.765,30 5.632,31 3.647,32 4.521,33 4.732,34 3.516,35 3.716,36 5.691,37 3.614,38 4.507,39 4.76,40 3.466,41 3.731,42 5.458,43 3.571,44 4.366,45 4.603,46 3.503,47 3.655,48 5.388,49 3.475,50 4.255,51 4.52,52 2.932,53 3.454,54 5.096,55 3.204,56 0.023,57 0.479,58 7.556,59 3.581,60 5.521,61 4.833,62 0.096,63 0.768,64 14.061,65 6.162,66 17.579,67 8.405,68 0.154,69 0.994,70 22.218,71 8.188,72 30.212,73 10.974,74 0.176,75 1.059,76 24.685,77 8.741,78 37.368,79 11.82,80 0.303,81 1.012,82 21.43,83 7.447,84 60.988,85 9.55,86 0.189,87 0.964,88 23.277,89 8.668,90 37.429,91 11.693,92 0.235,93 0.819,94 21.939,95 7.84,96 38.08,97 10.665,98 0.161,99 0.694,100 23.842,101 7.484,102 28.104,103 10.084,104 18,105 28,106 0.261,107 0.554,108 0.68,109 0.777,110 0.79,111 0.79,112 3.058,113 1.01,114 -5.59,115 -5.46,116 -5.1,118 44.7,119 2,121 2,131 9,132 1,133 2,142 1,154 12,157 1,159 1,161 3,162 16,166 2,170 4,171 12,175 6,179 5,181 9,185 4,188 2,190 11,194 1,198 14,201 1,205 1,207 16,215 8,221 4,224 534,225 13.19,226 13.19,227 13.19,228 13.19,229 13.19,230 11.557,231 12.875,232 7.943,233 13.359,234 10.351,235 10.351,236 10.351,237 10.351,238 10.351,239 8.004,240 16.869,241 3.764,242 10.67,243 3.804,244 2.186,245 1.495,246 0.954,247 0.882,248 0.882,249 3.712,250 1,253 1,254 346,255 3.391,259 146.417,261 1.24,262 15.689,264 1,265 0.75,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.86,273 41.833,274 168,275 4.288,276 3.818,277 6.685,278 4.091,279 3.089,280 3.738,281 1.987,282 10.662,283 3.091,284 3.929,285 2.971,286 5.444,287 3.514,288 2.544,289 3.471,290 0.324,291 7.222,292 2.468,293 3.748,294 2.752,295 5.18,296 3.32,297 2.386,298 3.107,300 6.35,301 2.214,302 3.26,303 2.506,304 4.807,305 2.821,306 1.844,307 2.485,309 5.18,310 1.806,311 2.972,312 1.935,313 4.562,314 2.759,315 1.779,316 2.073,318 4.374,319 1.642,320 2.812,321 1.519,322 3.592,323 2.375,324 1.375,325 1.866,326 2.981,327 1.369,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.247,339 2,340 1,341 1.5,342 2.136,343 1,344 1.548,345 0.924,346 3.142,347 1.303,348 0.341,349 0.39,350 0.865,351 0.31,352 1.177,353 0.48,354 2.529,355 0.775,356 -0.202,357 -0.255,358 -0.473,359 -0.172,360 0.885,361 0.193,362 2,363 0.441,364 -0.456,365 -0.578,366 -1.046,367 -0.366,368 0.5,369 -0.567,370 1.936,371 0.016,372 -1,373 -1,374 -2,375 -1,376 0.5,377 -0.885,378 1.593,380 -1,381 -1.417,383 -2.258,384 -1,385 0.464,386 -1,387 1.559,389 -1,390 -1.5,392 -2.347,393 -1,395 -1,396 1.555,398 -1,399 -1.5,401 -3,402 -1.005,403 9.948,404 0.497,405 0.511,406 0.026,407 25.5,408 1.275,409 14,410 0.7,411 11.5,412 0.575,413 15.689,414 0.784,415 21.252,416 0.559,417 16.703,418 0.835,419 4.912,420 0.246,421 4.664,422 0.233,423 0.206,425 0.302,429 0.605,430 1.101,431 0.664,432 0.921,433 0.586,434 0.922,435 0.494,436 1.153,437 0.701,438 0.991,439 0.536,440 0.993,441 1.074,442 1.142,443 0.983,444 1.06,445 1.073,446 1.054,447 1.071,448 1.077,449 0.798,450 0.964,451 1.048,452 0.908,453 2.05,454 0.959,455 0.897,456 0.869,457 2.422,458 0.989,459 1.001,460 0.896,461 0.82,462 0.882,463 1.154,464 0.923,465 0.484,466 1.012,467 0.961,468 1.093,469 0.51,470 1.087,471 0.905,472 0.95,473 1.682,474 1.288,475 0.62,476 1.228,477 4,478 0.025,479 2,480 1.688,481 1.013,482 0.688,483 0.548,484 0.097,485 0.122,486 0.062,487 3437,488 9670,489 1.966,490 47.4,491 7,492 9,495 1,496 1,499 1.622,500 1.818,501 3.04,502 -0.37,504 1,507 54.876,508 1.444,509 3.062,510 3.753,511 4.294,512 4.366,513 4.366,514 2.504,515 3.622,516 4.293,517 3.165,518 601.264,519 7.354,520 6155.25,522 1,524 1,525 199.421,526 1.485,527 4.237,528 0.19,529 0.008,530 0.071,531 0.06,532 0.038,533 0.029,534 0.025,535 0.005,536 0.011,537 0.01,538 0.448,539 0.67,540 0.88,541 0.897,542 88.143,543 -0.025,544 0.015,545 0.008,546 0.025,547 -0.061,548 0.026,549 0.156,550 -0.1,551 0.047,552 -0.037,553 0.08,554 -0.032,555 -0.084,556 -0.124,557 -0.083,558 -0.109,559 -0.09,560 -0.103,561 0.01,562 -0.084,563 0.049,564 -0.031,565 0.115,566 0.04,567 -0.35,568 0.093,569 -0.174,570 0.008,571 -0.316,572 -0.112,573 -0.06,574 0.054,575 0.035,576 0.079,577 -0.078,578 0.053,579 0.257,580 -0.079,581 0.071,582 -0.088,583 0.163,584 -0.081,585 -0.119,586 -0.074,587 -0.306,588 -0.227,589 -0.111,590 -0.189,591 1.659,592 5.495,593 0.6,594 13.83,595 0.992,596 1.115,597 4.362,598 19.028,599 0.689,600 3.091,601 3.367,602 3.555,603 3.761,604 3.85,605 3.761,606 3.807,607 3.611,608 3.434,609 3.367,610 5.001,611 0.64,612 287.81,613 3.091,614 4.595,615 5.407,616 6.26,617 7.089,618 7.948,619 8.785,620 9.645,621 10.487,622 11.348,623 2.6,628 1,633 9,638 3,639 12,648 1,649 38,650 13,651 2,652 21,654 39,655 17,656 12,657 3,658 9,660 2,661 2,662 1,663 2,671 13,672 4,673 2,674 1,677 1,680 1,682 1,684 18,685 2,686 1,687 3,688 1,691 1,692 1,693 1,704 2,709 1,717 2,721 2,722 1,724 20,730 1,733 2,740 1,741 2.6,744 1,747 11,748 7.226,749 4.5,750 2.313,751 1.939,752 1.321,753 0.942,754 4.939,755 7.989,756 3.367,757 3.892,758 4.344,759 4.848,760 5.281,761 5.153,762 5.382,763 5.455,764 5.34,765 5.668,766 0.833,767 28,768 7.387,770 3.035,771 7.747,772 14.112,774 11.257,776 2.247,777 44.944,778 0.001,781 200.109,782 117.084,783 18.011,784 39.149,785 25.145,788 117.084,789 264.402,790 18.011,791 17.65,792 18.011,793 85.286,794 29.85,795 9.443,797 200.109,798 39.149,799 200.109,800 135.095,801 25.145,802 39.149,804 200.109,805 25.145,807 35.661,808 99.434,809 39.149,811 200.109,812 43.156,813 156.233,815 200.109,816 14.148,817 102.937,818 18.011,819 64.294,820 200.109,821 43.156,822 156.233,823 0.574,824 0.323,825 0.175,826 0.089,827 12,828 6,829 0.103,830 4,832 1,833 3.172,834 141.222,836 12,837 76.439,840 14.766,841 6.689,842 3.928,844 43.156,845 16.979,850 2.481,851 18.011,852 399.497,853 28,856 12.495,859 0.008,860 37.705,861 42.389,862 0.275,863 0.584,864 0.715,865 0.818,866 0.832,867 0.832,868 4.564,869 1,870 5.38,871 2.275,872 4.043,873 4.575,874 2.076,875 6.142,876 3.992,877 5.745,878 0.341,879 6.913,880 2.136,881 3.611,882 4.182,883 1.593,884 7.013,885 3.505,886 7.017,887 -0.202,888 8.55,889 0.865,890 5.58,891 6.63,892 3.1,893 10.092,894 5.498,895 8.321,896 -0.456,897 10.252,898 -0.473,899 5.943,900 6.953,901 3.168,902 11.85,903 5.836,904 9.652,905 -1,906 11.997,907 -1.046,908 7.41,909 8.928,910 4.312,911 14.46,912 7.32,913 11.004,914 -1,915 13.775,916 -2,917 8.157,918 9.607,919 4.654,920 16.588,921 8.065,922 12.371,923 -1,924 15.577,925 -2.258,926 9.414,927 11.343,928 5.601,929 19.039,930 9.332,931 3.089,932 -1,933 17.4,934 -2.347,935 10.351,936 12.23,937 6.091,938 21.314,939 10.279,940 2.544,941 10.662,942 19.238,943 -3,944 11.52,945 13.821,946 6.927,947 23.71,948 11.455,949 2.386,950 7.222,951 21.089,952 3.738,953 12.552,954 14.841,955 7.5,956 26.041,957 12.497,958 1.844,959 6.35,960 22.95,961 3.471,962 13.686,963 16.338,964 8.273,965 28.418,966 13.639,967 1.779,968 5.18,969 24.819,970 3.107,971 14.764,972 17.448,973 8.894,974 30.771,975 14.726,976 1.375,977 4.374,978 26.694,979 2.485,980 15.887,981 18.882,982 9.631,983 33.141,984 15.855,985 1,986 2.981,987 28.574,988 2.073,989 16.988,990 20.054,991 10.279,992 35.503,993 16.962,994 3509,995 5973,996 13.523,997 26.171,998 31.113,999 31.984,1000 32.148,1001 30.881,1002 30.719,1003 40.258,1004 4.622,1005 84.09,1006 29.801,1007 5.167,1008 5.818,1009 6.487,1010 5.091,1011 5.089,1012 6.738,1013 3.497,1014 17.39,1015 5.091,1016 10.53,1017 1.482,1018 1.523,1019 1.531,1020 1.471,1021 1.463,1022 1.917,1023 0.22,1024 4.004,1025 1.419,1026 3.984,1027 4.013,1028 4.015,1029 3.917,1030 7.428,1031 3.911,1032 3.873,1033 3.905,1034 3.837,1035 3.811,1036 4.939,1037 3.805,1038 3.642,1039 3.692,1040 3.63,1041 3.534,1042 4.768,1043 3.522,1044 3.311,1045 3.364,1046 3.223,1047 3.084,1048 4.354,1049 3.099,1050 2.919,1051 3.009,1052 3.173,1053 2.808,1054 4.125,1055 2.797,1056 2.874,1057 2.971,1058 2.687,1059 2.735,1060 3.913,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.735,1066 3.674,1067 2.715,1068 2.854,1069 2.925,1070 2.681,1071 2.618,1072 3.674,1073 2.57,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.288,1080 0.178,1081 3.818,1082 0.095,1083 6.685,1084 0.508,1085 4.091,1086 0.147,1087 3.089,1088 3.738,1089 1.987,1090 10.662,1091 3.091,1092 1.949,1093 1.925,1094 2.066,1095 2.044,1096 1.319,1097 2.053,1098 1.876,1099 1.846,1100 2.001,1101 1.962,1102 1.058,1103 1.979,1104 1.649,1105 1.599,1106 1.867,1107 1.792,1108 0.999,1109 1.824,1110 1.227,1111 1.178,1112 1.417,1113 1.495,1114 0.523,1115 1.473,1116 0.934,1117 0.85,1118 1.413,1119 1.239,1120 0.469,1121 1.308,1122 0.901,1123 0.821,1124 1.181,1125 1.072,1126 0.227,1127 1.107,1128 0.886,1129 0.821,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.886,1135 0.804,1136 1.126,1137 1.062,1138 0.218,1139 1.101,1140 3.761,1142 5.043,1144 6.521,1146 8.084,1148 9.69,1150 4.091,1151 5.905,1156 2.965,1159 0.021,1164 24.305,1165 54.876,1166 116.363,1167 142.627,1168 163.157,1169 165.911,1170 165.911,1171 37.996,1172 6.05,1173 29.1,1174 29.1,1175 12,1176 11.902,1177 3.807,1178 3,1179 36.239,1180 57,1181 60,1182 0.305,1183 157.685,1184 272.66,1185 376.512,1186 2599,1187 2.6,1188 14.535,1189 0.727,1190 0.62,1191 15.035,1192 12.393,1193 9.575,1194 0.456,1195 0.337,1196 6.69,1197 9.136,1198 6.399,1199 5.403,1200 9.864,1201 7.069,1202 8.558,1203 0.306,1204 0.199,1205 8.967,1206 5.565,1207 6.462,1208 0.19,1209 0.102,1210 6.75,1211 3.472,1212 5.443,1213 0.13,1214 0.057,1215 5.609,1216 2.377,1217 3.845,1218 0.084,1219 0.031,1220 4.059,1221 1.447,1222 0.466,1223 61.613,1224 0.272,1225 19.837,1226 0.876,1227 98,1228 258.272,1229 117.788,1230 287.36,1231 377.41,1232 266,1233 111,1234 247.753,1235 124.75,1236 265.016,1237 380.27,1238 249,1239 4}
{0 CHEMBL594524,1 1.694,2 8.4,3 3.627,4 13.156,5 83.858,6 8.348,7 0.524,8 3.677,9 3.79,10 3.392,11 3.326,12 4.768,13 3.244,14 4.194,15 4.365,16 3.816,17 3.705,18 5.238,19 3.594,20 4.415,21 4.597,22 3.702,23 3.793,24 5.453,25 3.652,26 4.534,27 4.77,28 3.718,29 3.739,30 5.637,31 3.621,32 4.464,33 4.667,34 3.615,35 3.696,36 5.637,37 3.584,38 4.475,39 4.725,40 3.667,41 3.729,42 5.437,43 3.536,44 4.294,45 4.512,46 3.628,47 3.609,48 5.395,49 3.406,50 3.99,51 4.188,52 3.019,53 3.346,54 4.923,55 3.112,56 0.009,57 0.511,58 7.14,59 3.576,60 5.289,61 4.529,62 0.142,63 0.835,64 15.613,65 6.2,66 18.945,67 8.05,68 0.14,69 0.968,70 24.659,71 8.55,72 28.345,73 10.107,74 0.252,75 1.041,76 25.204,77 8.483,78 41.992,79 10.909,80 0.296,81 1.004,82 20.807,83 7.211,84 53.207,85 8.556,86 0.19,87 0.989,88 25.827,89 9.058,90 35.862,91 11.174,92 0.363,93 0.848,94 29.664,95 8.32,96 47.105,97 8.974,98 0.149,99 0.564,100 21.342,101 6.034,102 19.924,103 7.313,104 27,105 29,106 0.309,107 0.657,108 0.782,109 0.802,110 0.802,111 0.802,112 3.058,113 1.093,114 -4.78,115 -4.69,116 -4.4,118 40.5,119 3,121 2,131 4,132 1,133 1,134 1,140 1,142 1,146 1,154 8,157 2,159 2,161 2,162 13,166 3,170 2,171 10,174 1,175 6,179 5,181 8,185 4,188 2,190 7,194 5,198 6,201 3,205 1,207 6,215 4,219 1,221 3,224 532,225 12.93,226 12.93,227 12.93,228 12.93,229 12.93,230 11.402,231 15.3,232 7.577,233 13.387,234 10.334,235 10.334,236 10.334,237 10.334,238 10.334,239 8.082,240 20.257,241 3.585,242 11.144,243 3.516,244 1.613,245 0.926,246 0.818,247 0.818,248 0.818,249 3.707,250 1,252 1,253 1,254 345,255 3.464,258 63.687,259 72.995,261 1.24,262 17.78,263 1,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.333,274 168,275 4.294,276 3.818,277 6.686,278 4.09,279 3.091,280 3.762,281 1.987,282 10.663,283 3.087,284 4.079,285 2.976,286 5.592,287 3.558,288 2.691,289 3.687,290 0.324,291 7.683,292 2.338,293 3.787,294 2.817,295 5.216,296 3.341,297 2.415,298 3.136,300 6.428,301 2.206,302 3.322,303 2.682,304 4.884,305 2.946,306 1.996,307 2.543,309 5.519,310 1.884,311 3.06,312 2.038,313 4.71,314 2.761,315 1.808,316 2.206,318 4.903,319 1.646,320 2.879,321 1.933,322 4.414,323 2.517,324 1.56,325 1.896,326 4.068,327 1.456,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.206,337 0.93,338 3.279,339 1.593,340 0.731,341 1.067,342 1.735,343 0.62,344 1.544,345 0.801,346 3.162,347 1.277,348 0.325,349 0.373,350 0.826,351 0.289,352 1.022,353 0.432,354 2.535,355 0.605,356 -0.29,357 -0.349,358 -0.723,359 -0.219,360 0.884,361 0.166,362 2,363 0.435,364 -0.484,365 -0.617,366 -1.135,367 -0.408,368 0.5,369 -0.406,370 1.936,371 0.111,372 -0.843,373 -1,374 -2,375 -0.801,376 0.413,377 -0.735,378 1.611,380 -1,381 -1.031,383 -2.006,384 -1,385 0.003,386 -1,387 1.586,389 -1,390 -1.5,392 -3,393 -1,395 -1,396 1.559,397 -0.421,398 -1.302,399 -1.558,401 -3.126,402 -1.038,403 10.181,404 0.509,405 0.617,406 0.031,407 24,408 1.2,409 12,410 0.6,411 12,412 0.6,413 18.146,414 0.907,415 21.619,416 0.584,417 14.675,418 0.734,419 4.33,420 0.216,421 5.14,422 0.257,423 0.25,425 0.344,429 0.638,430 1.163,431 0.652,432 0.867,433 0.591,434 0.903,435 0.463,436 1.026,437 0.644,438 0.873,439 0.518,440 0.85,441 1.087,442 1.269,443 1.198,444 1.276,445 1.12,446 1.165,447 0.978,448 0.996,449 0.683,450 0.846,451 1.051,452 0.888,453 1.85,454 0.96,455 0.843,456 0.825,457 2.192,458 0.991,459 0.931,460 0.952,461 0.813,462 0.861,463 1.011,464 0.895,465 1.174,466 0.952,467 1.573,468 1.332,469 1.032,470 1.025,471 1.23,472 1.107,473 1.981,474 1.522,475 0.77,476 1.51,477 5,478 0.049,479 2.222,480 2.069,481 0.942,482 0.761,483 0.507,484 0.254,485 0.128,486 0.057,487 3394,488 10693,489 1.938,490 45.9,491 7,492 4,494 1,495 1,496 4,499 1.621,500 1.765,501 3.033,502 -0.271,504 1,506 1,507 62.66,508 1.694,509 3.597,510 4.283,511 4.391,512 4.391,513 4.391,514 2.504,515 3.684,516 4.293,517 3.164,518 601.213,519 7.353,520 6146.86,521 1,522 1,523 1,524 1,525 192.75,526 1.559,527 4.219,528 0.238,529 0.016,530 0.077,531 0.077,532 0.035,533 0.032,534 0.023,535 0.013,536 0.012,537 0.009,538 0.532,539 0.33,540 1,541 0.932,542 88.119,543 -0.031,544 -0.042,545 0.033,546 0.04,547 -0.06,548 0.022,549 0.241,550 0.038,551 0.173,552 0.09,553 0.115,554 0.108,555 -0.124,556 -0.253,557 -0.216,558 -0.255,559 -0.105,560 -0.199,561 0.081,562 -0.046,563 0.077,564 -0.005,565 0.131,566 0.045,567 -0.368,568 0.077,569 -0.15,570 0.008,571 -0.32,572 -0.128,573 -0.029,574 -0.005,575 0.103,576 0.122,577 -0.04,578 0.093,579 -0.004,580 0.126,581 -0.168,582 -0.073,583 0.053,584 -0.012,585 -0.292,586 -0.193,587 -0.556,588 -0.454,589 -0.202,590 -0.483,591 1.698,592 5.471,593 0.55,594 13.74,595 1,596 1.119,597 3.545,598 12.569,599 0.704,600 3.091,601 3.401,602 3.584,603 3.807,604 3.807,605 3.784,606 3.85,607 3.664,608 3.497,609 3.219,610 4.998,611 0.648,612 308.86,613 3.091,614 4.615,615 5.434,616 6.301,617 7.136,618 8.006,619 8.849,620 9.718,621 10.565,622 11.434,623 5.4,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 37,650 12,651 1,652 21,654 38,655 15,656 9,657 2,658 4,660 2,661 2,662 1,663 3,671 10,672 5,673 2,674 1,677 1,680 1,681 1,682 1,684 17,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 3,722 1,724 20,730 1,733 2,737 1,740 1,741 2.7,744 1,747 11.333,748 7.51,749 4.417,750 2.236,751 1.73,752 1.286,753 0.939,754 5.029,755 7.778,756 3.35,757 3.907,758 4.358,759 4.879,760 5.116,761 5.123,762 5.38,763 5.329,764 5.324,765 5.497,766 0.833,767 27,768 7.389,770 3.047,771 7.772,772 14.081,774 11.257,776 2.272,777 45.444,778 0.001,781 188.338,782 117.956,783 34.796,784 39.149,785 25.145,787 31.278,788 86.678,789 252.631,790 34.796,791 26.476,792 18.011,793 37.905,794 58.406,795 16.234,796 1.358,797 207.844,798 39.149,799 188.338,800 121.474,801 25.145,802 70.426,804 188.338,805 25.145,807 54.035,808 50.654,809 55.934,810 31.278,811 188.338,812 59.941,813 157.104,815 188.338,816 44.528,817 73.428,818 18.011,819 81.079,820 188.338,821 59.941,822 157.104,823 0.585,824 0.327,825 0.176,826 0.083,827 13,828 7,829 0.105,830 4,832 1,833 3.141,834 142.358,836 11,837 80.439,838 1,840 15.301,841 6.574,842 3.956,844 59.941,845 9.187,846 4.171,849 1.479,850 3.363,851 18.011,852 405.383,853 27.5,856 12.471,859 -0.031,860 37,861 41.392,862 0.325,863 0.69,864 0.822,865 0.843,866 0.843,867 0.843,868 4.572,869 0.731,870 5.434,871 2.275,872 4.078,873 4.59,874 2.076,875 6.217,876 3.95,877 5.775,878 0.325,879 6.984,880 1.735,881 3.761,882 4.369,883 1.593,884 7.106,885 3.569,886 7.067,887 -0.29,888 8.631,889 0.826,890 5.645,891 6.684,892 3.1,893 10.167,894 5.432,895 8.389,896 -0.484,897 10.336,898 -0.723,899 6.089,900 7.202,901 3.168,902 11.912,903 5.847,904 9.737,905 -0.843,906 12.079,907 -1.135,908 7.495,909 9.023,910 4.312,911 14.513,912 7.246,913 11.103,914 -1,915 13.852,916 -2,917 8.288,918 9.893,919 4.654,920 16.627,921 8.042,922 12.483,923 -1,924 15.648,925 -2.006,926 9.508,927 11.488,928 5.601,929 19.071,930 9.264,931 3.091,932 -1.302,933 17.463,934 -3,935 10.468,936 12.545,937 6.091,938 21.338,939 10.242,940 2.691,941 10.663,942 19.294,943 -3.126,944 11.615,945 14.021,946 6.927,947 23.729,948 11.398,949 2.415,950 7.683,951 21.138,952 3.762,953 12.655,954 15.182,955 7.5,956 26.056,957 12.458,958 1.996,959 6.428,960 22.993,961 3.687,962 13.776,963 16.593,964 8.273,965 28.43,966 13.592,967 1.808,968 5.519,969 24.856,970 3.136,971 14.854,972 17.814,973 8.894,974 30.78,975 14.689,976 1.56,977 4.903,978 26.727,979 2.543,980 15.968,981 19.187,982 9.631,983 33.148,984 15.815,985 1,986 4.068,987 28.603,988 2.206,989 17.066,990 20.444,991 10.279,992 35.508,993 16.928,994 3490,995 6303,996 13.235,997 26.063,998 31.769,999 32.38,1000 33,1001 31.369,1002 31.236,1003 40.34,1004 4.622,1005 88.2,1006 29.055,1007 5.182,1008 5.818,1009 6.1,1010 5.193,1011 5.091,1012 6.762,1013 3.497,1014 17.402,1015 5.087,1016 11.931,1017 1.513,1018 1.542,1019 1.571,1020 1.494,1021 1.487,1022 1.921,1023 0.22,1024 4.2,1025 1.384,1026 3.976,1027 4.002,1028 4.228,1029 3.918,1030 7.428,1031 3.905,1032 3.832,1033 3.856,1034 4.006,1035 3.822,1036 4.94,1037 3.749,1038 3.639,1039 3.689,1040 3.65,1041 3.534,1042 4.847,1043 3.519,1044 3.312,1045 3.37,1046 3.223,1047 3.081,1048 4.354,1049 3.095,1050 3.003,1051 3.092,1052 3.171,1053 2.835,1054 4.125,1055 2.811,1056 2.874,1057 3.009,1058 2.784,1059 2.735,1060 3.894,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.644,1066 3.674,1067 2.639,1068 2.818,1069 2.863,1070 2.589,1071 2.618,1072 3.633,1073 2.57,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.294,1080 0.179,1081 3.818,1082 0.095,1083 6.686,1084 0.508,1085 4.09,1086 0.147,1087 3.091,1088 3.762,1089 1.987,1090 10.663,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.657,1099 1.61,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.535,1105 1.506,1106 1.721,1107 1.666,1108 0.867,1109 1.701,1110 1.362,1111 1.309,1112 1.462,1113 1.607,1114 0.548,1115 1.597,1116 1.049,1117 1.012,1118 1.417,1119 1.253,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.228,1125 1.239,1126 0.302,1127 1.256,1128 0.886,1129 0.804,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.772,1135 0.701,1136 1.014,1137 0.995,1138 0.176,1139 1.042,1140 3.761,1142 5.069,1143 2.398,1144 6.547,1145 4.595,1146 8.105,1147 6.529,1148 9.708,1150 6.032,1151 5.899,1156 2.893,1159 -0.02,1164 23.987,1165 62.66,1166 133.086,1167 158.485,1168 162.485,1169 162.485,1170 162.485,1171 39.202,1172 6.047,1173 41.99,1174 70.23,1175 11,1176 11.982,1177 3.7,1178 2.907,1179 36.263,1180 57,1181 60,1182 0.307,1183 159.353,1184 270.21,1185 380.581,1186 2528,1187 2.7,1188 14.698,1189 0.735,1190 0.663,1191 15.552,1192 13.256,1193 9.469,1194 0.451,1195 0.364,1196 6.513,1197 8.477,1198 6.107,1199 5.156,1200 10.166,1201 7.653,1202 8.839,1203 0.305,1204 0.231,1205 10.002,1206 6.71,1207 6.54,1208 0.187,1209 0.117,1210 7.484,1211 4.11,1212 5.559,1213 0.126,1214 0.066,1215 6.425,1216 2.898,1217 3.581,1218 0.081,1219 0.037,1220 4.209,1221 1.622,1222 0.468,1223 65.513,1224 0.275,1225 19.795,1226 0.88,1227 100,1228 286.777,1229 148.299,1230 332.436,1231 437.3,1232 308,1233 114,1234 275.96,1235 148.233,1236 307.894,1237 444.59,1238 288,1239 6.097}
{0 CHEMBL594525,1 1.893,2 8.4,3 3.654,4 13.35,5 79.188,6 9.201,7 0.524,8 3.616,9 3.718,10 3.403,11 3.258,12 4.801,13 3.198,14 4.123,15 4.272,16 3.856,17 3.618,18 5.315,19 3.544,20 4.36,21 4.544,22 3.712,23 3.689,24 5.545,25 3.587,26 4.441,27 4.663,28 3.721,29 3.673,30 5.63,31 3.57,32 4.436,33 4.634,34 3.624,35 3.654,36 5.667,37 3.555,38 4.423,39 4.663,40 3.694,41 3.665,42 5.605,43 3.488,44 4.22,45 4.441,46 3.645,47 3.516,48 5.391,49 3.332,50 3.871,51 4.045,52 3.106,53 3.122,54 5.189,55 2.953,56 0.064,57 0.542,58 5.104,59 3.234,60 7.389,61 3.681,62 0.219,63 0.895,64 13.107,65 5.658,66 22.522,67 6.585,68 0.36,69 0.992,70 20.042,71 7.407,72 51.569,73 8.547,74 0.414,75 0.969,76 22.458,77 7.87,78 47.305,79 9.854,80 0.465,81 0.999,82 18.903,83 7.228,84 66.073,85 7.845,86 0.477,87 0.971,88 24.28,89 8.57,90 79.772,91 10.209,92 0.428,93 0.864,94 28.758,95 7.959,96 50.531,97 8.101,98 0.273,99 0.647,100 19.822,101 5.278,102 28.272,103 5.346,104 27,105 29,106 0.352,107 0.697,108 0.785,109 0.807,110 0.807,111 0.807,112 3.058,113 1.049,114 -4.92,115 -4.82,116 -4.53,118 41.2,119 2,121 2,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 8,157 2,159 2,161 2,162 12,166 2,170 2,171 10,174 1,175 6,179 4,181 8,185 4,188 2,190 7,194 4,198 5,201 3,205 1,207 4,219 1,221 1,224 532,225 12.93,226 12.93,227 12.93,228 12.93,229 12.93,230 11.402,231 14.502,232 7.577,233 13.463,234 10.334,235 10.334,236 10.334,237 10.334,238 10.334,239 8.082,240 18.818,241 3.585,242 11.302,243 3.194,244 1.341,245 0.868,246 0.75,247 0.75,248 0.75,249 3.707,250 1,252 1,253 1,254 345,255 3.464,258 63.687,259 72.995,261 1.24,262 25.877,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 43.833,274 168,275 4.294,276 3.819,277 6.686,278 4.089,279 3.091,280 3.762,281 1.987,282 10.663,283 3.087,284 4.079,285 3.011,286 5.592,287 3.538,288 2.691,289 3.687,290 0.324,291 7.683,292 2.312,293 3.787,294 2.946,295 5.216,296 3.336,297 2.415,298 3.136,300 6.428,301 2.171,302 3.322,303 2.722,304 4.884,305 2.921,306 1.996,307 2.543,309 5.519,310 1.838,311 3.06,312 2.227,313 4.71,314 2.761,315 1.808,316 2.206,318 4.903,319 1.644,320 2.879,321 1.934,322 4.414,323 2.482,324 1.56,325 1.896,326 4.068,327 1.389,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.206,337 0.938,338 3.279,339 1.579,340 0.731,341 1.067,342 1.735,343 0.611,344 1.544,345 0.851,346 3.162,347 1.277,348 0.325,349 0.373,350 0.826,351 0.289,352 1.022,353 0.443,354 2.535,355 0.593,356 -0.29,357 -0.349,358 -0.723,359 -0.216,360 0.884,361 0.202,362 2,363 0.433,364 -0.484,365 -0.617,366 -1.135,367 -0.392,368 0.5,369 -0.127,370 1.936,372 -0.843,373 -1,374 -2,375 -0.693,376 0.413,377 -0.719,378 1.611,380 -1,381 -1.031,383 -2.006,384 -1,385 0.003,386 -1,387 1.586,388 -0.04,389 -1,390 -1.5,392 -3,393 -1,395 -1,396 1.559,397 -0.425,398 -1.302,399 -1.558,401 -3.126,402 -1.038,403 9.967,404 0.498,405 0.617,406 0.031,407 24.25,408 1.213,409 12,410 0.6,411 12.25,412 0.613,413 17.216,414 0.861,415 21.833,416 0.642,417 15.605,418 0.78,419 4.499,420 0.225,421 4.97,422 0.249,423 0.234,425 0.351,428 1,429 0.583,430 1.014,431 0.611,432 0.838,433 0.54,434 0.857,435 0.482,436 1.048,437 0.611,438 0.982,439 0.539,440 0.895,441 0.873,442 0.945,443 0.959,444 1.023,445 0.903,446 1.08,447 0.57,448 0.712,449 0.65,450 0.846,451 0.634,452 0.914,453 1.218,454 0.815,455 0.808,456 0.829,457 1.363,458 1.023,459 0.605,460 0.792,461 0.802,462 0.853,463 0.599,464 0.927,465 0.835,466 0.954,467 1.554,468 1.379,469 0.648,470 1.025,471 1.67,472 1.564,473 2.214,474 1.71,475 1.343,476 1.62,477 5,478 0.049,479 2.222,480 2.069,481 0.942,482 0.761,483 0.507,484 0.254,485 0.128,486 0.057,487 3394,488 13231,489 1.938,490 41.2,491 7,492 4,494 1,495 1,496 1,499 1.621,500 1.765,501 3.033,502 -0.222,504 1,506 1,507 64.368,508 1.893,509 3.746,510 4.22,511 4.337,512 4.337,513 4.337,514 2.504,515 3.684,516 4.293,517 3.164,518 601.213,519 7.353,520 6146.86,521 1,522 1,523 1,524 1,525 172.974,526 1.559,527 4.219,528 0.238,529 0.016,530 0.077,531 0.077,532 0.035,533 0.032,534 0.023,535 0.013,536 0.012,537 0.009,538 0.532,539 0.33,540 1,541 0.932,542 88.119,543 -0.039,544 -0.039,545 0.023,546 0.042,547 -0.043,548 0.025,549 0.168,550 -0.105,551 0.177,552 -0.038,553 0.074,554 0.041,555 -0.034,556 -0.06,557 -0.118,558 -0.131,559 -0.046,560 -0.132,561 0.141,562 0.001,563 0.114,564 -0.007,565 0.114,566 0.065,567 -0.25,568 0.006,569 -0.129,570 0.006,571 -0.229,572 -0.127,573 0.123,574 -0.017,575 0.126,576 0.127,577 0.135,578 0.103,579 0.015,580 0.019,581 -0.143,582 -0.097,583 0.055,584 0.038,585 -0.326,586 -0.393,587 -0.674,588 -0.601,589 -0.176,590 -0.622,591 2.09,592 5.349,593 0.55,594 13.74,595 1.018,596 1.127,597 3.689,598 13.612,599 0.713,600 3.091,601 3.401,602 3.584,603 3.807,604 3.807,605 3.784,606 3.85,607 3.664,608 3.497,609 3.219,610 4.998,611 0.672,612 312.82,613 3.091,614 4.615,615 5.434,616 6.301,617 7.136,618 8.006,619 8.849,620 9.718,621 10.565,622 11.434,623 5.9,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 34,650 12,651 1,652 21,654 35,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,683 1,684 14,685 4,686 1,687 6,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,723 1,724 20,730 1,733 2,737 1,740 2,741 2.9,744 1,747 11.333,748 6.652,749 4.417,750 2.021,751 1.73,752 1.286,753 0.942,754 4.975,755 7.778,756 3.35,757 3.907,758 4.358,759 4.879,760 5.116,761 5.123,762 5.38,763 5.329,764 5.324,765 5.497,766 0.833,767 27,768 7.403,770 3.131,771 8.072,772 13.728,774 10.983,776 2.572,777 51.444,781 153.024,782 115.066,783 34.796,784 39.149,785 25.145,786 14.96,787 31.278,788 83.788,789 217.318,790 49.756,791 17.65,792 18.011,793 37.905,794 58.406,795 38.488,797 172.531,798 39.149,799 153.024,800 118.585,801 40.105,802 70.426,804 153.024,805 25.145,806 14.96,807 52.503,808 49.296,809 55.934,810 31.278,811 167.984,812 59.941,813 154.215,815 153.024,816 50.463,817 64.603,818 18.011,819 96.039,820 153.024,821 74.901,822 154.215,823 0.585,824 0.327,825 0.176,826 0.083,827 13,828 7,829 0.114,830 4,832 1,833 3.141,834 142.358,836 11,837 80.439,838 1,840 15.237,841 6.53,842 3.925,844 74.901,845 8.252,846 3.796,849 0.812,850 1.345,851 18.011,852 382.14,853 27.5,856 12.349,859 -0.198,860 34.629,861 38.316,862 0.372,863 0.736,864 0.829,865 0.853,866 0.853,867 0.853,868 4.572,869 0.731,870 5.434,871 2.275,872 4.078,873 4.59,874 2.076,875 6.217,876 3.93,877 5.775,878 0.325,879 6.984,880 1.735,881 3.761,882 4.369,883 1.593,884 7.106,885 3.533,886 7.067,887 -0.29,888 8.631,889 0.826,890 5.645,891 6.684,892 3.1,893 10.167,894 5.406,895 8.389,896 -0.484,897 10.336,898 -0.723,899 6.089,900 7.202,901 3.168,902 11.912,903 5.816,904 9.737,905 -0.843,906 12.079,907 -1.135,908 7.495,909 9.023,910 4.312,911 14.513,912 7.222,913 11.103,914 -1,915 13.852,916 -2,917 8.288,918 9.893,919 4.654,920 16.627,921 8.02,922 12.483,923 -1,924 15.648,925 -2.006,926 9.508,927 11.488,928 5.601,929 19.071,930 9.246,931 3.091,932 -1.302,933 17.463,934 -3,935 10.468,936 12.545,937 6.091,938 21.338,939 10.227,940 2.691,941 10.663,942 19.294,943 -3.126,944 11.615,945 14.021,946 6.927,947 23.729,948 11.385,949 2.415,950 7.683,951 21.138,952 3.762,953 12.655,954 15.182,955 7.5,956 26.056,957 12.448,958 1.996,959 6.428,960 22.993,961 3.687,962 13.776,963 16.593,964 8.273,965 28.43,966 13.584,967 1.808,968 5.519,969 24.856,970 3.136,971 14.854,972 17.814,973 8.894,974 30.78,975 14.682,976 1.56,977 4.903,978 26.727,979 2.543,980 15.968,981 19.187,982 9.631,983 33.148,984 15.81,985 1,986 4.068,987 28.603,988 2.206,989 17.066,990 20.444,991 10.279,992 35.508,993 16.924,994 3490,995 7029,996 13.235,997 24.239,998 31.769,999 32.516,1000 33,1001 31.426,1002 31.236,1003 40.34,1004 4.622,1005 88.2,1006 28.68,1007 5.182,1008 5.819,1009 6.1,1010 5.197,1011 5.091,1012 6.762,1013 3.497,1014 17.402,1015 5.087,1016 11.931,1017 1.513,1018 1.548,1019 1.571,1020 1.496,1021 1.487,1022 1.921,1023 0.22,1024 4.2,1025 1.366,1026 3.974,1027 4,1028 4.232,1029 3.913,1030 8.201,1031 3.903,1032 3.811,1033 3.833,1034 4.006,1035 3.779,1036 7.428,1037 3.709,1038 3.635,1039 3.684,1040 3.65,1041 3.532,1042 4.939,1043 3.514,1044 3.286,1045 3.332,1046 3.223,1047 3.058,1048 4.765,1049 3.072,1050 2.874,1051 3.009,1052 3.163,1053 2.735,1054 4.353,1055 2.732,1056 2.866,1057 2.925,1058 2.687,1059 2.729,1060 4.124,1061 2.715,1062 2.854,1063 2.91,1064 2.619,1065 2.618,1066 3.722,1067 2.57,1068 2.525,1069 2.57,1070 2.528,1071 2.328,1072 3.674,1073 2.307,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.294,1080 0.179,1081 3.819,1082 0.095,1083 6.686,1084 0.508,1085 4.089,1086 0.147,1087 3.091,1088 3.762,1089 1.987,1090 10.663,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.364,1105 1.346,1106 1.48,1107 1.627,1108 0.563,1109 1.599,1110 1.323,1111 1.283,1112 1.417,1113 1.477,1114 0.469,1115 1.473,1116 1.036,1117 1.009,1118 1.367,1119 1.239,1120 0.455,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.162,1126 0.296,1127 1.196,1128 0.886,1129 0.804,1130 1.073,1131 1.062,1132 0.218,1133 1.107,1134 0.679,1135 0.668,1136 0.768,1137 0.859,1139 0.862,1140 3.761,1142 5.069,1143 2.398,1144 6.547,1145 4.595,1146 8.105,1147 6.529,1148 9.708,1150 3.919,1151 5.857,1152 12.895,1156 2.653,1159 -0.236,1164 22.843,1165 64.368,1166 127.364,1167 143.464,1168 147.464,1169 147.464,1170 147.464,1171 47.057,1172 6.047,1173 41.99,1174 70.23,1175 11,1176 11.982,1177 3.7,1178 2.907,1179 36.263,1180 57,1181 60,1182 0.307,1183 150.959,1184 258.98,1185 360.1,1186 2528,1187 5.9,1188 14.698,1189 0.735,1190 0.632,1191 14.682,1192 12.634,1193 9.469,1194 0.451,1195 0.35,1196 6.177,1197 8.414,1198 5.86,1199 4.911,1200 9.818,1201 7.342,1202 8.839,1203 0.305,1204 0.212,1205 9.223,1206 6.149,1207 6.54,1208 0.187,1209 0.11,1210 7.117,1211 3.839,1212 5.559,1213 0.126,1214 0.061,1215 6.056,1216 2.678,1217 3.581,1218 0.081,1219 0.033,1220 3.739,1221 1.456,1222 0.468,1223 66.379,1224 0.275,1225 19.795,1226 0.88,1227 100,1228 372.888,1229 154.074,1230 386.116,1231 496.46,1232 356,1233 114,1234 309.294,1235 151.24,1236 333.812,1237 485.45,1238 312,1239 6.351}
{0 CHEMBL594528,1 1.861,2 7.789,3 1.896,4 3.594,5 70.052,6 8.947,7 0.524,8 3.565,9 3.668,10 3.342,11 3.188,12 4.743,13 3.152,14 4.046,15 4.192,16 3.714,17 3.488,18 5.239,19 3.43,20 4.226,21 4.436,22 3.536,23 3.467,24 5.408,25 3.41,26 4.189,27 4.374,28 3.638,29 3.457,30 5.493,31 3.417,32 4.257,33 4.452,34 3.518,35 3.493,36 5.492,37 3.425,38 4.196,39 4.41,40 3.533,41 3.463,42 5.465,43 3.325,44 4.004,45 4.242,46 3.191,47 3.257,48 5.035,49 3.095,50 3.65,51 3.877,52 2.864,53 2.816,54 4.949,55 2.7,56 0.068,57 0.555,58 4.839,59 2.919,60 8.877,61 3.161,62 0.212,63 0.889,64 11.374,65 4.815,66 21.434,67 5.398,68 0.367,69 0.925,70 16.624,71 5.806,72 52.018,73 6.662,74 0.38,75 0.84,76 13.33,77 5.14,78 43.156,79 6.132,80 0.404,81 0.884,82 15.701,83 5.614,84 53.654,85 5.903,86 0.419,87 0.854,88 16.995,89 6.274,90 69.226,91 7.256,92 0.277,93 0.763,94 18.701,95 5.887,96 35.226,97 6.258,98 0.229,99 0.625,100 10.766,101 3.809,102 28.824,103 4.072,104 5,105 29,106 0.351,107 0.704,108 0.832,109 0.873,110 0.873,111 0.873,112 3.011,113 0.984,114 -3.33,115 -3.32,116 -3.18,118 41.9,120 2,121 2,131 3,134 2,135 1,141 1,142 1,146 1,154 6,157 5,159 2,161 2,162 4,166 3,170 1,171 2,174 2,175 7,178 1,179 3,181 5,185 2,188 1,190 4,193 1,194 5,197 1,198 5,201 1,207 1,211 1,215 1,224 448,225 12.93,226 12.93,227 12.93,228 12.93,229 12.93,230 11.427,231 12.901,232 7.727,233 13.39,234 10.388,235 10.388,236 10.388,237 10.388,238 10.388,239 8.197,240 18.177,241 3.696,242 11.179,243 3.093,244 1.222,245 0.54,246 0.323,247 0.323,248 0.323,249 3.672,252 1,253 1,254 321,255 3,256 38.333,258 58.38,259 67.764,261 1.108,262 24.784,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42,274 148,275 4.32,276 3.83,277 6.769,278 4.158,279 3.163,280 3.744,281 1.987,282 11.059,283 3.146,284 4.076,285 3.009,286 5.599,287 3.544,288 2.698,289 3.632,290 0.324,291 7.708,292 2.339,293 3.632,294 2.869,295 5.339,296 3.324,297 2.344,298 2.957,300 6.69,301 2.255,302 3.406,303 2.391,304 5.035,305 3.083,306 2.125,307 2.495,309 5.825,310 2.003,311 3.034,312 2.23,313 4.557,314 2.601,315 1.702,316 2.17,318 4.616,319 1.512,320 2.84,321 1.618,322 3.778,323 2.36,324 1.38,325 1.958,326 3.08,327 1.327,328 2.5,329 1,330 3.363,331 1.958,332 1,333 1.5,334 2.136,335 0.956,336 2.207,337 0.926,338 3.265,339 1.597,340 0.737,341 1.07,342 1.76,343 0.623,344 1.742,345 0.842,346 3.247,347 1.467,348 0.492,349 0.578,350 1.338,351 0.474,352 1.022,353 0.372,354 2.599,355 0.584,356 -0.343,357 -0.417,358 -0.883,359 -0.301,360 0.686,361 -0.089,362 2.337,363 0.406,364 -0.586,365 -0.678,366 -1.35,367 -0.575,368 0.5,369 -0.46,370 2,371 0.014,372 -0.841,373 -1,374 -2.006,375 -0.685,376 0.422,377 -0.594,378 1.709,380 -1,381 -1.014,383 -2.347,384 -0.969,385 0.271,386 -1,387 1.6,388 -0.026,389 -1,390 -1.33,392 -2.348,393 -1,395 -1,396 1.555,397 -0.046,398 -1,399 -1.5,401 -3,402 -1.009,403 9.152,404 0.482,405 0.435,406 0.023,407 24.5,408 1.289,409 12,410 0.632,411 12.5,412 0.658,413 13.641,414 0.718,415 20.248,416 0.653,417 14.677,418 0.772,419 4.51,420 0.237,421 4.727,422 0.249,423 0.068,425 0.328,428 1,429 0.605,430 1.029,431 0.663,432 0.87,433 0.499,434 0.842,435 0.53,436 1.167,437 0.772,438 1.194,439 0.564,440 1.107,441 0.937,442 0.882,443 0.884,444 0.882,445 0.946,446 0.884,447 0.63,448 0.744,449 0.656,450 0.881,451 0.778,452 0.952,453 1.28,454 0.766,455 1.04,456 0.826,457 1.267,458 0.975,459 0.635,460 0.842,461 0.971,462 1.003,463 0.648,464 1.047,465 0.908,466 0.991,467 1.532,468 1.266,469 0.77,470 1.05,471 1.207,472 1.375,473 1.278,474 1.282,475 1.182,476 1.204,477 3.5,478 0.012,479 1.389,480 1.562,481 0.771,482 0.507,483 0.236,484 0.148,485 0.11,486 0.03,487 3291,488 10828,489 2.113,490 38.7,491 5,492 3,494 2,495 1,496 1,499 1.606,500 2,501 2.946,502 -0.198,504 1,505 1,506 1,507 57.7,508 1.861,509 3.732,510 4.414,511 4.632,512 4.632,513 4.632,514 2.405,515 3.827,516 4.221,517 3.072,518 525.392,519 7.206,520 5174.07,521 1,522 1,524 1,525 153.58,526 1.324,527 4.189,528 0.167,529 0.012,530 0.053,531 0.062,532 0.03,533 0.022,534 0.012,535 0.01,536 0.011,537 0.007,538 0.387,539 0.5,540 1,541 0.565,542 81.822,543 -0.052,544 -0.074,545 0.047,546 0.041,547 -0.005,548 0.034,549 0.144,550 -0.235,551 0.109,552 -0.232,553 0.048,554 -0.186,555 -0.033,556 -0.006,557 0.001,558 0.012,559 -0.038,560 0.076,561 0.199,562 0.026,563 0.113,564 -0.066,565 0.082,566 -0.043,567 -0.286,568 0.054,569 -0.18,570 0.042,571 -0.192,572 -0.065,573 0.159,574 -0.038,575 0.086,576 0.022,577 0.162,578 -0.021,579 -0.109,580 -0.046,581 -0.187,582 -0.051,583 -0.063,584 0.032,585 0.031,586 -0.13,587 -0.138,588 -0.202,589 0.004,590 -0.181,591 2.073,592 5.297,593 0.737,594 12.022,595 1.021,596 1.13,597 2.101,598 4.415,599 0.705,600 3.091,601 3.401,602 3.584,603 3.85,604 3.892,605 3.784,606 3.85,607 3.807,608 3.664,609 3.296,610 4.751,611 0.677,612 277.35,613 3.091,614 4.615,615 5.46,616 6.337,617 7.198,618 8.082,619 8.951,620 9.837,621 10.71,622 11.598,623 9.7,628 1,631 2,633 5,634 2,637 1,638 3,639 11,648 1,649 31,650 12,652 21,654 33,655 13,656 8,660 3,661 3,666 2,667 1,669 2,671 9,672 4,673 2,674 1,677 1,680 1,681 1,682 1,683 1,684 12,685 5,686 1,687 6,688 1,691 3,692 1,693 1,699 1,701 1,703 1,704 1,709 1,717 3,719 1,723 1,724 19,729 2,730 1,733 2,737 1,740 1,741 3.2,744 1,747 9.5,748 5.46,749 4.167,750 1.88,751 1.65,752 1.272,753 0.986,754 3.452,755 7.713,756 3.35,757 3.887,758 4.326,759 4.857,760 5.086,761 5.012,762 5.312,763 5.433,764 5.452,765 5.483,766 1,767 25,768 7.059,770 3.107,771 8.009,772 13.256,774 11.169,776 2.509,777 47.667,778 0.001,781 129.482,782 98.126,783 51.582,785 25.145,786 14.96,787 31.278,788 66.849,789 154.627,790 66.542,792 23.08,793 28.429,794 86.963,795 43.606,797 137.218,799 129.482,800 118.43,801 40.105,802 31.278,804 129.482,805 25.145,806 14.96,807 51.726,808 33.133,809 33.571,810 31.278,811 144.442,812 76.727,813 98.126,815 129.482,816 51.603,817 46.524,818 18.011,819 73.676,820 129.482,821 91.687,822 98.126,823 0.578,824 0.312,825 0.179,826 0.087,827 15,828 6,829 0.121,830 4,832 1,833 3.237,834 138.234,836 14,837 78.711,838 1,840 12.523,841 5.238,842 3.088,844 91.687,845 8.328,846 8.059,849 0.831,850 0.653,851 18.011,852 319.295,853 27.5,856 12.297,859 -0.157,860 31.64,861 35.04,862 0.376,863 0.753,864 0.891,865 0.935,866 0.935,867 0.935,868 4.572,869 0.737,870 5.434,871 2.136,872 4.078,873 4.57,874 2.076,875 6.232,876 3.957,877 5.766,878 0.492,879 6.984,880 1.76,881 3.761,882 4.27,883 1.593,884 7.2,885 3.617,886 7.055,887 -0.343,888 8.639,889 1.338,890 5.673,891 6.632,892 3.1,893 10.264,894 5.475,895 8.373,896 -0.586,897 10.356,898 -0.883,899 6.133,900 7.084,901 3.168,902 12.077,903 5.937,904 9.72,905 -0.841,906 12.116,907 -1.35,908 7.566,909 8.945,910 4.312,911 14.702,912 7.338,913 11.085,914 -1,915 13.906,916 -2.006,917 8.382,918 9.767,919 4.654,920 16.866,921 8.172,922 12.466,923 -1,924 15.72,925 -2.347,926 9.627,927 11.388,928 5.601,929 19.345,930 9.402,931 3.163,932 -1,933 17.553,934 -2.348,935 10.614,936 12.411,937 6.091,938 21.654,939 10.409,940 2.698,941 11.059,942 19.401,943 -3,944 11.785,945 13.904,946 6.927,947 24.083,948 11.578,949 2.344,950 7.708,951 21.26,952 3.744,953 12.853,954 15.041,955 7.5,956 26.449,957 12.663,958 2.125,959 6.69,960 23.13,961 3.632,962 14,963 16.461,964 8.273,965 28.86,966 13.813,967 1.702,968 5.825,969 25.008,970 2.957,971 15.106,972 17.664,973 8.894,974 31.249,975 14.932,976 1.38,977 4.616,978 26.892,979 2.495,980 16.247,981 19.041,982 9.631,983 33.654,984 16.076,985 1,986 3.08,987 28.781,988 2.17,989 17.372,990 20.285,991 10.279,992 36.052,993 17.21,994 3196,995 5937,996 14.216,997 21.864,998 31.944,999 32.391,1000 32.191,1001 31.298,1002 31.283,1003 40.207,1004 4.622,1005 88.421,1006 29.271,1007 5.282,1008 5.83,1009 6.571,1010 5.269,1011 5.163,1012 6.744,1013 3.497,1014 17.922,1015 5.116,1016 7.217,1017 1.521,1018 1.542,1019 1.533,1020 1.49,1021 1.49,1022 1.915,1023 0.22,1024 4.211,1025 1.394,1026 4.008,1027 4.047,1028 4.232,1029 3.913,1030 8.201,1031 3.908,1032 3.807,1033 3.831,1034 3.911,1035 3.772,1036 7.428,1037 3.701,1038 3.76,1039 3.81,1040 3.657,1041 3.657,1042 4.884,1043 3.651,1044 3.344,1045 3.375,1046 3.294,1047 3.132,1048 4.763,1049 3.156,1050 2.853,1051 2.921,1052 2.736,1053 2.694,1054 4.246,1055 2.696,1056 2.751,1057 2.838,1058 2.625,1059 2.528,1060 3.835,1061 2.543,1062 2.491,1063 2.54,1064 2.601,1065 2.279,1066 3.747,1067 2.263,1068 2.256,1069 2.333,1070 2.467,1071 2.063,1072 3.594,1073 2.006,1074 0.206,1075 0.182,1076 0.322,1077 0.198,1078 0.151,1079 4.32,1080 0.178,1081 3.83,1082 0.095,1083 6.769,1084 0.527,1085 4.158,1086 0.15,1087 3.163,1088 3.744,1089 1.987,1090 11.059,1091 3.146,1092 1.865,1093 1.831,1094 1.976,1095 1.993,1096 1.186,1097 1.99,1098 1.51,1099 1.477,1100 1.652,1101 1.714,1102 0.838,1103 1.693,1104 1.323,1105 1.312,1106 1.513,1107 1.513,1108 0.825,1109 1.495,1110 1.228,1111 1.188,1112 1.422,1113 1.376,1114 0.494,1115 1.429,1116 1.153,1117 1.064,1118 1.243,1119 1.354,1120 0.392,1121 1.389,1122 0.83,1123 0.765,1124 1.118,1125 1.025,1126 0.263,1127 1.063,1128 0.764,1129 0.721,1130 0.965,1131 0.993,1132 0.084,1133 1.009,1134 0.582,1135 0.521,1136 0.705,1137 0.844,1139 0.836,1140 3.761,1141 1.946,1142 5.069,1143 3.932,1144 6.564,1145 5.82,1146 8.143,1147 7.656,1148 9.769,1152 12.865,1155 2.057,1156 2.671,1159 0.063,1164 20.983,1165 57.7,1166 115.706,1167 136.825,1168 143.58,1169 143.58,1170 143.58,1171 34.735,1172 6.064,1173 54.88,1174 83.12,1175 14,1176 12.131,1177 3.7,1178 2.907,1179 27.678,1180 52,1181 54,1182 0.258,1183 132.435,1184 225.11,1185 314.9,1186 2540,1187 3.2,1188 13.242,1189 0.697,1190 0.572,1191 12.726,1192 10.861,1193 9.237,1194 0.44,1195 0.328,1196 6.053,1197 8.421,1198 5.902,1199 4.85,1200 9.297,1201 6.886,1202 8.31,1203 0.287,1204 0.19,1205 8.286,1206 5.509,1207 6.237,1208 0.178,1209 0.1,1210 6.525,1211 3.502,1212 5.44,1213 0.118,1214 0.055,1215 5.77,1216 2.526,1217 3.787,1218 0.079,1219 0.03,1220 3.732,1221 1.425,1222 0.391,1223 62.265,1224 0.265,1225 18.882,1226 0.743,1227 100,1228 364.33,1229 140.276,1230 346.184,1231 457.95,1232 322,1233 117,1234 308.896,1235 146.313,1236 321.104,1237 470.22,1238 302,1239 4.347}
{0 CHEMBL594537,1 1.827,2 7.684,3 2.958,4 8.752,5 79.233,6 8.964,7 0.55,8 3.585,9 3.696,10 3.362,11 3.222,12 4.742,13 3.153,14 4.08,15 4.236,16 3.743,17 3.575,18 5.181,19 3.488,20 4.304,21 4.494,22 3.622,23 3.657,24 5.371,25 3.541,26 4.425,27 4.651,28 3.68,29 3.654,30 5.569,31 3.548,32 4.407,33 4.607,34 3.588,35 3.629,36 5.631,37 3.519,38 4.387,39 4.639,40 3.608,41 3.63,42 5.349,43 3.437,44 4.167,45 4.4,46 3.574,47 3.441,48 5.295,49 3.239,50 3.745,51 3.96,52 2.792,53 2.966,54 4.815,55 2.735,56 0.056,57 0.491,58 5.455,59 3.041,60 6.775,61 3.659,62 0.172,63 0.77,64 13.342,65 5.146,66 18.861,67 6.521,68 0.222,69 0.842,70 18.348,71 6.828,72 32.797,73 8.403,74 0.296,75 0.918,76 22.381,77 7.717,78 40.099,79 9.684,80 0.397,81 0.932,82 18.729,83 6.878,84 60.748,85 7.831,86 0.273,87 0.91,88 23.883,89 8.179,90 38.956,91 9.933,92 0.36,93 0.763,94 28.027,95 7.314,96 37.965,97 7.662,98 0.255,99 0.446,100 19.504,101 4.053,102 26.046,103 4.399,104 18,105 27,106 0.342,107 0.674,108 0.777,109 0.8,110 0.8,111 0.8,112 3.01,113 1.074,114 -4.27,115 -4.21,116 -3.98,118 39.4,119 2,121 2,131 4,132 1,133 1,142 1,144 1,146 1,150 1,154 8,157 3,159 2,161 2,162 12,166 2,168 1,170 2,171 10,174 1,175 6,179 4,181 8,184 1,185 5,188 2,190 7,194 6,198 5,201 7,205 1,207 4,211 2,219 1,221 1,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.957,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.655,243 3.217,244 1.443,245 0.894,246 0.773,247 0.773,248 0.773,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 17.862,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.833,274 146,275 4.289,276 3.818,277 6.685,278 4.089,279 3.09,280 3.739,281 1.987,282 10.662,283 3.087,284 3.945,285 2.972,286 5.452,287 3.445,288 2.559,289 3.501,290 0.324,291 7.244,292 2.294,293 3.753,294 2.755,295 5.182,296 3.294,297 2.39,298 3.109,300 6.354,301 2.118,302 3.253,303 2.524,304 4.809,305 2.789,306 1.839,307 2.472,309 5.186,310 1.745,311 2.947,312 1.935,313 4.565,314 2.756,315 1.772,316 1.976,318 4.38,319 1.639,320 2.558,321 1.318,322 3.449,323 2.033,324 1.131,325 1.56,326 2.496,327 1.006,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.449,340 0.618,341 0.927,342 1.372,343 0.5,344 1.542,345 0.618,346 3,347 1.273,348 0.314,349 0.364,350 0.787,351 0.281,352 0.971,353 0.402,354 2.441,355 0.547,356 -0.337,357 -0.404,358 -0.819,359 -0.244,360 0.882,361 0.114,362 2,363 0.428,364 -0.525,365 -0.705,366 -1.237,367 -0.477,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.416,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.571,398 -1.398,399 -1.802,401 -3.177,402 -1.208,403 9.581,404 0.504,405 0.511,406 0.027,407 23.5,408 1.237,409 12,410 0.632,411 11.5,412 0.605,413 15.803,414 0.832,415 20.419,416 0.619,417 14.342,418 0.755,419 4.316,420 0.227,421 4.759,422 0.25,423 0.214,425 0.313,429 0.593,430 1.076,431 0.622,432 0.83,433 0.555,434 0.862,435 0.474,436 1.173,437 0.7,438 1.026,439 0.534,440 0.927,441 0.979,442 0.993,443 0.891,444 0.966,445 1.1,446 1.067,447 0.867,448 0.961,449 0.662,450 0.866,451 1.014,452 0.907,453 1.546,454 0.948,455 0.799,456 0.842,457 1.998,458 1.028,459 0.86,460 0.961,461 0.825,462 0.871,463 0.908,464 0.929,465 0.882,466 1.098,467 1.596,468 1.439,469 0.469,470 1.039,471 1.941,472 1.006,473 2.484,474 1.538,475 1.181,476 1.531,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 10624,489 1.965,490 42.4,491 7,492 4,494 1,495 1,496 1,499 1.607,500 1.81,501 2.928,502 -0.198,504 1,506 1,507 60.301,508 1.827,509 3.602,510 4.15,511 4.271,512 4.271,513 4.271,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 166.465,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.33,540 1,541 0.92,542 81.822,543 0.029,544 0.06,545 0.031,546 0.053,547 -0.022,548 0.02,549 0.223,550 -0.115,551 0.1,552 -0.07,553 0.104,554 0.015,555 -0.073,556 -0.063,557 -0.093,558 -0.102,559 -0.099,560 -0.117,561 0.094,562 -0.075,563 0.098,564 -0.009,565 0.132,566 0.064,567 -0.257,568 0.016,569 -0.123,570 0.003,571 -0.26,572 -0.139,573 -0.036,574 -0.05,575 0.103,576 0.126,577 -0.069,578 0.094,579 0.064,580 -0.028,581 -0.14,582 -0.134,583 0.189,584 0.008,585 -0.635,586 -0.007,587 -0.806,588 -0.456,589 -0.438,590 -0.566,591 1.742,592 5.332,593 0.579,594 12.648,595 1.01,596 1.123,597 3.044,598 9.266,599 0.714,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.665,612 295.82,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 9.1,628 1,631 2,633 5,634 2,637 1,638 3,639 11,648 1,649 33,650 12,651 1,652 20,654 34,655 13,656 8,657 2,658 4,660 2,661 2,662 1,663 2,671 9,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 14,685 4,686 1,687 6,688 2,691 3,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,724 19,730 1,733 2,740 1,741 3,744 1,747 10.5,748 6.46,749 4.25,750 1.956,751 1.704,752 1.288,753 0.935,754 4.751,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 6.992,770 2.886,771 7.857,772 13.177,774 10.445,776 2.357,777 44.778,778 0.001,781 153.024,782 105.945,783 51.337,784 39.149,785 25.145,787 31.278,788 74.667,789 217.318,790 51.337,791 17.65,792 18.011,793 37.905,794 82.167,795 7.187,797 172.531,798 39.149,799 153.024,800 126.004,801 25.145,802 70.426,804 153.024,805 25.145,807 43.382,808 49.296,809 72.475,810 31.278,811 153.024,812 76.482,813 145.094,815 153.024,816 43.169,817 62.776,818 18.011,819 97.62,820 153.024,821 76.482,822 145.094,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.118,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,838 1,840 14.257,841 6.331,842 3.66,844 76.482,845 8.941,846 7.521,849 1.303,850 2.127,851 18.011,852 374.6,853 26.5,856 12.332,859 -0.075,860 33.334,861 37.06,862 0.362,863 0.714,864 0.823,865 0.847,866 0.847,867 0.847,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.883,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.443,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.364,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.769,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.191,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 7.992,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.226,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.211,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.373,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.439,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.576,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.677,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.806,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.921,994 3028,995 5864,996 12.83,997 23.546,998 29.962,999 30.402,1000 30.632,1001 29.516,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 27.34,1007 5.177,1008 5.818,1009 6.3,1010 5.188,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.087,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.476,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.367,1026 3.971,1027 3.998,1028 4.195,1029 3.91,1030 7.428,1031 3.901,1032 3.763,1033 3.8,1034 4.005,1035 3.7,1036 5.037,1037 3.629,1038 3.624,1039 3.677,1040 3.648,1041 3.526,1042 4.937,1043 3.498,1044 3.266,1045 3.312,1046 3.223,1047 3.047,1048 4.356,1049 3.054,1050 2.874,1051 3.009,1052 3.151,1053 2.735,1054 4.125,1055 2.715,1056 2.854,1057 2.925,1058 2.687,1059 2.713,1060 3.838,1061 2.715,1062 2.852,1063 2.894,1064 2.499,1065 2.618,1066 3.674,1067 2.57,1068 2.457,1069 2.531,1070 2.481,1071 2.216,1072 3.467,1073 2.221,1074 0.214,1075 0.191,1076 0.334,1077 0.204,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.089,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.8,1102 0.999,1103 1.828,1104 1.368,1105 1.343,1106 1.45,1107 1.614,1108 0.571,1109 1.588,1110 1.156,1111 1.117,1112 1.417,1113 1.386,1114 0.469,1115 1.373,1116 1.002,1117 0.941,1118 1.2,1119 1.239,1120 0.423,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.16,1126 0.218,1127 1.198,1128 0.886,1129 0.804,1130 1.1,1131 1.062,1132 0.074,1133 1.107,1134 0.664,1135 0.649,1136 0.775,1137 0.854,1139 0.858,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.026,1151 5.873,1156 2.789,1159 -0.06,1164 21.954,1165 60.301,1166 118.855,1167 136.955,1168 140.955,1169 140.955,1170 140.955,1171 35.481,1172 5.922,1173 54.88,1174 83.12,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 146.963,1184 246.61,1185 350.349,1186 2133,1187 3,1188 13.828,1189 0.728,1190 0.642,1191 14.682,1192 12.203,1193 9.075,1194 0.454,1195 0.358,1196 5.949,1197 8.049,1198 5.615,1199 4.732,1200 9.818,1201 7.159,1202 8.205,1203 0.304,1204 0.214,1205 9.223,1206 5.776,1207 6.212,1208 0.188,1209 0.11,1210 7.117,1211 3.627,1212 5.266,1213 0.128,1214 0.061,1215 6.056,1216 2.494,1217 3.233,1218 0.081,1219 0.034,1220 3.739,1221 1.345,1222 0.476,1223 64.109,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 298.422,1229 140.903,1230 341.839,1231 446.55,1232 316,1233 107,1234 284.263,1235 141.284,1236 312.412,1237 447.88,1238 291,1239 4.921}
{0 CHEMBL594671,1 1.737,2 7.684,3 3.482,4 12.122,5 79.017,6 8.671,7 0.55,8 3.602,9 3.709,10 3.352,11 3.26,12 4.715,13 3.182,14 4.105,15 4.263,16 3.732,17 3.623,18 5.184,19 3.519,20 4.339,21 4.532,22 3.626,23 3.692,24 5.38,25 3.565,26 4.434,27 4.659,28 3.677,29 3.674,30 5.569,31 3.562,32 4.424,33 4.627,34 3.58,35 3.657,36 5.61,37 3.541,38 4.409,39 4.656,40 3.604,41 3.667,42 5.37,43 3.468,44 4.197,45 4.428,46 3.56,47 3.52,48 5.27,49 3.3,50 3.816,51 4.013,52 2.785,53 3.134,54 4.79,55 2.864,56 0.017,57 0.471,58 6.06,59 3.199,60 5.248,61 3.963,62 0.144,63 0.767,64 13.936,65 5.571,66 18.56,67 7.061,68 0.163,69 0.873,70 20.516,71 7.362,72 30.35,73 8.98,74 0.246,75 0.939,76 22.643,77 7.877,78 38.892,79 9.909,80 0.3,81 0.957,82 19.694,83 7.197,84 54.521,85 8.286,86 0.226,87 0.933,88 24.334,89 8.55,90 39.123,91 10.344,92 0.323,93 0.79,94 28.421,95 7.921,96 36.75,97 8.517,98 0.156,99 0.462,100 19.673,101 5.185,102 20.492,103 6.062,104 18,105 27,106 0.323,107 0.676,108 0.785,109 0.807,110 0.807,111 0.807,112 3.01,113 1.094,114 -4.53,115 -4.45,116 -4.19,118 41.2,119 2,121 2,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 8,157 2,159 2,161 2,162 12,166 2,170 2,171 10,174 1,175 6,179 4,181 8,185 4,188 2,190 7,194 4,198 5,201 3,205 1,207 4,219 1,221 1,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.949,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.654,243 3.35,244 1.456,245 0.868,246 0.75,247 0.75,248 0.75,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 17.221,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.333,274 146,275 4.289,276 3.818,277 6.685,278 4.089,279 3.09,280 3.739,281 1.987,282 10.662,283 3.087,284 3.945,285 2.972,286 5.452,287 3.443,288 2.559,289 3.501,290 0.324,291 7.244,292 2.292,293 3.753,294 2.755,295 5.182,296 3.293,297 2.39,298 3.109,300 6.354,301 2.111,302 3.253,303 2.524,304 4.809,305 2.789,306 1.839,307 2.472,309 5.186,310 1.742,311 2.947,312 1.935,313 4.565,314 2.756,315 1.772,316 1.976,318 4.38,319 1.639,320 2.558,321 1.318,322 3.449,323 2.057,324 1.131,325 1.56,326 2.496,327 1.031,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.416,340 0.618,341 0.927,342 1.372,343 0.486,344 1.542,345 0.618,346 3,347 1.274,348 0.314,349 0.364,350 0.787,351 0.282,352 0.971,353 0.402,354 2.441,355 0.556,356 -0.337,357 -0.404,358 -0.819,359 -0.245,360 0.882,361 0.114,362 2,363 0.429,364 -0.525,365 -0.705,366 -1.237,367 -0.481,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.409,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.57,398 -1.398,399 -1.802,401 -3.177,402 -1.229,403 9.681,404 0.51,405 0.511,406 0.027,407 23.5,408 1.237,409 12,410 0.632,411 11.5,412 0.605,413 15.92,414 0.838,415 20.319,416 0.598,417 14.225,418 0.749,419 4.274,420 0.225,421 4.801,422 0.253,423 0.212,425 0.31,429 0.64,430 1.144,431 0.635,432 0.838,433 0.578,434 0.87,435 0.485,436 1.103,437 0.721,438 0.976,439 0.537,440 0.924,441 1.07,442 1.109,443 0.965,444 1.028,445 1.118,446 1.066,447 0.927,448 0.976,449 0.672,450 0.854,451 1.044,452 0.891,453 1.7,454 0.967,455 0.799,456 0.834,457 2.083,458 0.998,459 0.963,460 0.941,461 0.839,462 0.858,463 1.064,464 0.921,465 0.802,466 0.969,467 1.56,468 1.384,469 0.434,470 1.027,471 1.379,472 1.194,473 2.244,474 1.698,475 0.917,476 1.69,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 9918,489 1.965,490 44.1,491 7,492 4,493 1,494 1,495 1,496 1,499 1.607,500 1.81,501 2.928,502 -0.249,504 1,506 1,507 59.067,508 1.737,509 3.631,510 4.22,511 4.337,512 4.337,513 4.337,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 172.974,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.5,540 1,541 0.92,542 81.822,543 -0.038,544 -0.043,545 0.031,546 0.043,547 -0.054,548 0.024,549 0.218,550 -0.045,551 0.082,552 -0.03,553 0.098,554 0.012,555 -0.117,556 -0.149,557 -0.119,558 -0.134,559 -0.102,560 -0.124,561 0.097,562 -0.051,563 0.085,564 -0.007,565 0.138,566 0.054,567 -0.325,568 0.029,569 -0.121,570 0.006,571 -0.289,572 -0.12,573 -0.067,574 -0.001,575 0.079,576 0.13,577 -0.101,578 0.076,579 0.105,580 0.109,581 -0.13,582 -0.096,583 0.193,584 0.019,585 -0.353,586 -0.304,587 -0.687,588 -0.6,589 -0.308,590 -0.657,591 1.702,592 5.36,593 0.579,594 12.648,595 1.003,596 1.117,597 3.296,598 10.863,599 0.715,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.661,612 294.83,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 5.9,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 34,650 12,651 1,652 20,654 35,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 15,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,724 19,730 1,733 2,737 1,740 1,741 2.9,744 1,747 10.5,748 6.593,749 4.25,750 2.027,751 1.704,752 1.288,753 0.942,754 4.805,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 7.01,770 2.895,771 7.804,772 13.307,774 10.612,776 2.304,777 43.778,778 0.001,781 164.795,782 115.421,783 34.796,784 39.149,785 25.145,787 31.278,788 84.143,789 229.089,790 34.796,791 17.65,792 18.011,793 45.554,794 58.406,795 16.234,796 11.771,797 172.531,798 39.149,799 164.795,800 118.94,801 25.145,802 70.426,804 164.795,805 25.145,807 45.209,808 56.945,809 55.934,810 31.278,811 164.795,812 59.941,813 154.57,815 164.795,816 43.169,817 72.252,818 18.011,819 81.079,820 164.795,821 59.941,822 154.57,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.114,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,838 1,840 14.321,841 6.375,842 3.691,844 59.941,845 10.921,846 4.071,849 1.414,850 2.268,851 18.011,852 379.306,853 26.5,856 12.36,859 -0.035,860 34.116,861 37.976,862 0.341,863 0.714,864 0.829,865 0.853,866 0.853,867 0.853,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.882,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.443,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.361,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.767,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.188,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 7.991,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.224,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.209,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.372,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.438,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.575,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.676,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.805,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.92,994 3028,995 5652,996 12.83,997 24.301,998 29.962,999 30.402,1000 30.632,1001 29.496,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 27.337,1007 5.177,1008 5.818,1009 6.3,1010 5.184,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.087,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.475,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.367,1026 3.973,1027 3.999,1028 4.205,1029 3.913,1030 7.428,1031 3.903,1032 3.798,1033 3.824,1034 4.005,1035 3.78,1036 4.94,1037 3.701,1038 3.633,1039 3.683,1040 3.648,1041 3.532,1042 4.861,1043 3.513,1044 3.28,1045 3.326,1046 3.223,1047 3.058,1048 4.354,1049 3.07,1050 2.874,1051 3.009,1052 3.153,1053 2.735,1054 4.125,1055 2.73,1056 2.861,1057 2.925,1058 2.687,1059 2.73,1060 3.775,1061 2.715,1062 2.854,1063 2.905,1064 2.602,1065 2.618,1066 3.674,1067 2.57,1068 2.491,1069 2.55,1070 2.499,1071 2.329,1072 3.467,1073 2.294,1074 0.214,1075 0.191,1076 0.334,1077 0.204,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.089,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.369,1105 1.359,1106 1.51,1107 1.627,1108 0.598,1109 1.599,1110 1.353,1111 1.291,1112 1.425,1113 1.471,1114 0.524,1115 1.507,1116 1.038,1117 1.009,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.16,1126 0.298,1127 1.203,1128 0.886,1129 0.804,1130 1.101,1131 1.062,1132 0.218,1133 1.107,1134 0.681,1135 0.669,1136 0.785,1137 0.857,1139 0.87,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.057,1151 5.882,1156 2.852,1159 -0.012,1164 22.46,1165 59.067,1166 123.464,1167 143.464,1168 147.464,1169 147.464,1170 147.464,1171 35.212,1172 5.922,1173 41.99,1174 70.23,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 149.761,1184 252.91,1185 357.176,1186 2133,1187 2.9,1188 13.828,1189 0.728,1190 0.649,1191 14.682,1192 12.333,1193 9.075,1194 0.454,1195 0.365,1196 6.095,1197 8.097,1198 5.75,1199 4.839,1200 9.818,1201 7.292,1202 8.205,1203 0.304,1204 0.22,1205 9.223,1206 5.931,1207 6.212,1208 0.188,1209 0.115,1210 7.117,1211 3.781,1212 5.266,1213 0.128,1214 0.064,1215 6.056,1216 2.635,1217 3.233,1218 0.081,1219 0.035,1220 3.739,1221 1.389,1222 0.476,1223 63.609,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 278.777,1229 138.959,1230 323.635,1231 423.43,1232 300,1233 107,1234 264.617,1235 139.396,1236 293.718,1237 423.92,1238 275,1239 6.155}
{0 CHEMBL594737,1 1.662,2 9.217,3 3.975,4 15.797,5 97.174,6 7.821,7 0.458,8 3.866,9 3.992,10 3.516,11 3.453,12 4.93,13 3.375,14 4.403,15 4.602,16 3.959,17 3.846,18 5.395,19 3.753,20 4.623,21 4.79,22 3.941,23 4.039,24 5.65,25 3.893,26 4.905,27 5.174,28 3.951,29 4.063,30 5.892,31 3.898,32 4.76,33 4.978,34 3.798,35 3.931,36 5.901,37 3.815,38 4.699,39 4.956,40 3.859,41 3.93,42 5.639,43 3.743,44 4.579,45 4.822,46 3.88,47 3.851,48 5.627,49 3.656,50 4.316,51 4.49,52 3.345,53 3.596,54 5.382,55 3.404,56 0.018,57 0.65,58 9.734,59 4.354,60 7.501,61 5.726,62 0.236,63 1.044,64 21.041,65 6.985,66 23.591,67 9.67,68 0.152,69 1.235,70 26.233,71 10.097,72 29.658,73 12.768,74 0.341,75 1.461,76 42.549,77 13.645,78 52.49,79 17.374,80 0.425,81 1.316,82 28.837,83 9.001,84 71.365,85 11.687,86 0.298,87 1.23,88 30.746,89 10.36,90 41.37,91 13.483,92 0.381,93 1.103,94 38.085,95 10.573,96 47.029,97 12.198,98 0.294,99 0.761,100 28.719,101 7.454,102 44.934,103 8.953,104 54,105 35,106 0.291,107 0.61,108 0.717,109 0.732,110 0.732,111 0.732,112 3.188,113 1.071,114 -4.72,115 -4.63,116 -4.35,118 37.8,119 3,121 1,122 1,123 2,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,157 3,159 2,161 2,162 15,165 1,166 2,170 2,171 11,174 1,175 7,178 1,179 5,181 10,185 4,188 2,190 9,193 1,194 6,198 6,201 5,205 1,207 5,211 5,219 3,221 1,224 763,225 14.403,226 14.403,227 14.403,228 14.403,229 14.403,230 12.952,231 19.391,232 8.242,233 14.934,234 11.817,235 11.817,236 11.817,237 11.817,238 11.817,239 9.604,240 29.154,241 3.9,242 12.77,243 3.83,244 2.008,245 1.395,246 1.307,247 1.307,248 1.307,249 3.836,250 1,252 1,253 1,254 431,255 4.243,258 74.97,259 86.683,261 1.308,262 19.126,264 1,265 1,266 1,267 1,268 1,269 1,270 1,271 1,272 1,273 48.833,274 212,275 4.512,276 3.904,277 7.378,278 4.432,279 3.431,280 3.829,281 1.987,282 12.793,283 3.433,284 4.182,285 3.132,286 6.006,287 3.723,288 2.857,289 3.753,290 0.8,291 8.6,292 2.509,293 3.906,294 3.004,295 5.721,296 3.525,297 2.557,298 3.312,299 0.324,300 7.681,301 2.445,302 3.594,303 2.917,304 5.35,305 3.304,306 2.368,307 2.736,309 6.773,310 2.207,311 3.368,312 2.422,313 5.042,314 3.001,315 2.102,316 2.589,318 5.963,319 1.831,320 3.174,321 2.354,322 4.772,323 2.728,324 1.776,325 2.32,326 4.994,327 1.621,328 2.5,329 1.346,330 3.755,331 2.016,332 1.099,333 1.5,334 2.677,335 1,336 2.379,337 1.053,338 3.511,339 2,340 1,341 1.345,342 2.275,343 0.997,344 2.097,345 1,346 3.414,347 1.485,348 0.661,349 0.942,350 1.611,351 0.536,352 1.644,353 0.699,354 3.253,355 1.349,356 0.39,357 0.458,358 1.097,359 0.352,360 0.989,361 0.419,362 2.618,363 0.574,364 -0.317,365 -0.38,366 -0.795,367 -0.23,368 0.903,369 0.157,370 2.488,371 0.438,372 -0.502,373 -0.666,374 -1.234,375 -0.448,376 0.5,377 -0.6,378 2,380 -1,381 -1,383 -2,384 -0.9,385 0.092,386 -0.682,387 2,389 -1,390 -1,392 -3,393 -1,395 -0.975,396 2,398 -1,399 -1,401 -3,402 -1,403 11.581,404 0.504,405 0.905,406 0.039,407 26.75,408 1.163,409 12.5,410 0.543,411 14.25,412 0.62,413 23.492,414 1.021,415 25.619,416 0.569,417 18.192,418 0.791,419 4.873,420 0.212,421 5.808,422 0.253,423 0.306,424 0.043,425 0.294,429 0.697,430 1.382,431 0.689,432 0.981,433 0.632,434 0.996,435 0.65,436 0.908,437 0.625,438 0.748,439 0.505,440 0.706,441 0.993,442 1.329,443 1.112,444 1.291,445 1.13,446 1.326,447 0.682,448 0.99,449 0.837,450 1.03,451 0.779,452 0.855,453 1.989,454 0.998,455 0.899,456 0.845,457 2.459,458 1.032,459 0.932,460 0.945,461 0.803,462 0.831,463 1.02,464 0.912,465 0.955,466 0.998,467 1.478,468 1.333,469 0.665,470 0.935,471 2.242,472 1.276,473 2.248,474 1.572,475 2.285,476 1.567,477 7,478 0.065,479 3.111,480 2.597,481 1.512,482 0.899,483 0.736,484 0.326,485 0.326,486 0.097,487 4839,488 14102,489 1.888,490 48.9,491 9,492 10,494 1,495 1,496 1,499 1.661,500 1.693,501 3.132,502 -0.284,504 1,507 74.784,508 1.662,509 3.484,510 4.096,511 4.185,512 4.185,513 4.185,514 2.614,515 3.849,516 4.494,517 3.313,518 838.262,519 7.759,520 9473.45,522 1,524 1,525 247.133,526 1.771,527 4.392,528 0.292,529 0.009,530 0.089,531 0.079,532 0.043,533 0.031,534 0.027,535 0.013,536 0.02,537 0.006,538 0.609,539 0.17,540 1,541 1.025,542 106.825,543 -0.02,544 -0.175,545 0.042,546 -0.011,547 -0.077,548 -0.011,549 0.173,550 0.217,551 0.223,552 0.225,553 0.139,554 0.264,555 -0.094,556 -0.248,557 -0.205,558 -0.278,559 -0.146,560 -0.332,561 0.194,562 -0.058,563 0.1,564 -0.011,565 0.232,566 0.141,567 -0.409,568 0.046,569 -0.188,570 -0.02,571 -0.374,572 -0.164,573 0.001,574 0.034,575 0.094,576 0.13,577 -0.062,578 0.055,579 0.087,580 0.086,581 -0.048,582 -0.034,583 0.226,584 0.092,585 -0.543,586 -0.322,587 -0.692,588 -0.5,589 -0.531,590 -0.573,591 1.723,592 5.833,593 0.478,594 17.21,595 0.997,596 1.127,597 3.486,598 12.154,599 0.68,600 3.219,601 3.584,602 3.738,603 3.97,604 3.989,605 4.025,606 4.078,607 3.951,608 3.912,609 3.664,610 5.504,611 0.624,612 351.94,613 3.219,614 4.779,615 5.602,616 6.497,617 7.34,618 8.236,619 9.088,620 9.984,621 10.841,622 11.736,623 6.7,627 1,628 1,631 1,633 5,634 1,637 1,638 4,639 11,646 1,648 1,649 45,650 12,651 1,652 24,654 46,655 17,656 9,657 2,658 4,660 2,661 2,662 1,663 3,664 1,671 10,672 7,673 1,674 1,677 1,680 1,682 1,684 22,685 4,686 1,687 6,688 2,691 3,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 5,722 1,724 23,730 1,733 1,734 1,735 1,737 1,740 1,741 2.2,744 1,747 13.583,748 9.626,749 4.917,750 2.491,751 1.728,752 1.273,753 0.918,754 5.688,755 8.059,756 3.45,757 4.021,758 4.456,759 4.987,760 5.248,761 5.343,762 5.555,763 5.56,764 5.558,765 5.719,766 1,767 33,768 8.503,770 3.498,771 7.733,772 16.231,774 12.954,776 2.233,777 51.361,780 1,781 247.193,782 134.32,783 37.921,784 39.149,785 25.145,787 31.278,788 103.042,789 311.487,790 37.921,791 43.268,792 18.011,793 37.905,794 58.406,795 20.288,797 266.7,798 39.149,799 247.193,800 140.963,801 25.145,802 70.426,804 247.193,805 25.145,807 54.964,808 69.213,809 55.934,810 31.278,811 247.193,812 63.066,813 173.468,815 247.193,816 44.099,817 93.345,818 18.011,819 81.079,820 247.193,821 63.066,822 173.468,823 0.601,824 0.325,825 0.167,826 0.081,827 16,828 9,829 0.109,830 5,832 1,833 3.315,834 176.319,836 11,837 93.287,838 1,840 18.212,841 7.183,842 4.675,844 63.066,845 9.206,846 4.273,849 1.457,850 3.224,851 18.011,852 483.727,853 30.5,856 12.833,859 -0.056,860 44.869,861 50.72,862 0.303,863 0.634,864 0.746,865 0.762,866 0.762,867 0.762,868 4.716,869 1,870 5.666,871 2.677,872 4.263,873 4.705,874 2.19,875 6.529,876 4.134,877 5.954,878 0.661,879 7.276,880 2.275,881 4.205,882 4.635,883 1.668,884 7.781,885 4.051,886 7.28,887 0.39,888 8.998,889 1.611,890 5.969,891 6.819,892 3.12,893 10.794,894 5.775,895 8.638,896 -0.317,897 10.787,898 1.097,899 6.648,900 7.442,901 3.181,902 12.859,903 6.464,904 10.022,905 -0.502,906 12.622,907 -0.795,908 8.01,909 9.186,910 4.315,911 15.526,912 7.812,913 11.424,914 -1,915 14.491,916 -1.234,917 8.992,918 10.125,919 4.656,920 17.902,921 8.82,922 12.84,923 -1,924 16.387,925 -2,926 10.234,927 11.677,928 5.602,929 20.48,930 10.067,931 3.431,932 -1,933 18.303,934 -3,935 11.348,936 12.783,937 6.091,938 22.968,939 11.207,940 2.857,941 12.793,942 20.235,943 -3,944 12.56,945 14.237,946 6.927,947 25.523,948 12.432,949 2.557,950 8.6,951 22.182,952 3.829,953 13.732,954 15.436,955 7.501,956 28.05,957 13.626,958 2.368,959 7.681,960 24.139,961 3.753,962 14.942,963 16.837,964 8.273,965 30.6,966 14.85,967 2.102,968 6.773,969 26.105,970 3.312,971 16.141,972 18.089,973 8.894,974 33.141,975 16.066,976 1.776,977 5.963,978 28.077,979 2.736,980 17.356,981 19.461,982 9.631,983 35.69,984 17.293,985 1.099,986 4.994,987 30.055,988 2.589,989 18.569,990 20.745,991 10.279,992 38.236,993 18.519,994 5008,995 8676,996 14.622,997 30.591,998 37.296,999 37.789,1000 38.074,1001 36.542,1002 36.483,1003 45.566,1004 6.222,1005 108.929,1006 33.862,1007 5.406,1008 5.904,1009 6.792,1010 5.556,1011 5.431,1012 6.829,1013 3.497,1014 20.42,1015 5.433,1016 15.561,1017 1.554,1018 1.575,1019 1.586,1020 1.523,1021 1.52,1022 1.899,1023 0.259,1024 4.539,1025 1.411,1026 3.99,1027 4.017,1028 4.234,1029 3.928,1030 7.428,1031 3.917,1032 3.845,1033 3.878,1034 4.009,1035 3.808,1036 4.94,1037 3.743,1038 3.694,1039 3.741,1040 3.694,1041 3.602,1042 4.852,1043 3.585,1044 3.433,1045 3.519,1046 3.309,1047 3.182,1048 4.387,1049 3.193,1050 3.246,1051 3.292,1052 3.256,1053 3.051,1054 4.207,1055 3.046,1056 2.874,1057 3.009,1058 3.122,1059 2.735,1060 4.199,1061 2.717,1062 2.874,1063 3.009,1064 2.687,1065 2.715,1066 3.725,1067 2.715,1068 2.874,1069 3.009,1070 2.598,1071 2.618,1072 3.674,1073 2.57,1074 0.188,1075 0.163,1076 0.307,1077 0.185,1078 0.143,1079 4.512,1080 0.16,1081 3.904,1082 0.083,1083 7.378,1084 0.533,1085 4.432,1086 0.143,1087 3.431,1088 3.829,1089 1.987,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.709,1099 1.665,1100 1.898,1101 1.834,1102 1.021,1103 1.863,1104 1.577,1105 1.521,1106 1.793,1107 1.805,1108 0.898,1109 1.815,1110 1.378,1111 1.331,1112 1.473,1113 1.635,1114 0.563,1115 1.606,1116 1.124,1117 1.053,1118 1.417,1119 1.345,1120 0.469,1121 1.347,1122 1.02,1123 1.004,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.417,1131 1.239,1132 0.469,1133 1.308,1134 0.934,1135 0.804,1136 1.322,1137 1.239,1138 0.428,1139 1.308,1140 3.892,1142 5.242,1143 2.398,1144 6.756,1145 4.595,1146 8.348,1147 6.581,1148 9.984,1150 10.062,1151 5.959,1156 2.946,1159 -0.286,1160 1.966,1161 -0.223,1164 28.062,1165 74.784,1166 156.769,1167 184.339,1168 188.339,1169 188.339,1170 188.339,1171 52.101,1172 6.332,1173 45.23,1174 73.47,1175 11,1176 12.269,1177 3.7,1178 2.907,1179 45.111,1180 73,1181 75,1182 0.3,1183 185.332,1184 315.81,1185 443.97,1186 3635,1187 2.2,1188 17.198,1189 0.748,1190 0.679,1191 18.052,1192 15.625,1193 10.681,1194 0.445,1195 0.357,1196 7.395,1197 9.636,1198 6.841,1199 5.837,1200 11.377,1201 8.572,1202 10.808,1203 0.309,1204 0.234,1205 11.885,1206 8.183,1207 7.411,1208 0.181,1209 0.118,1210 8.541,1211 4.828,1212 6.276,1213 0.121,1214 0.063,1215 7.208,1216 3.277,1217 4.1,1218 0.077,1219 0.035,1220 4.848,1221 1.866,1222 0.46,1223 73.525,1224 0.262,1225 22.347,1226 0.853,1227 118,1228 324.422,1229 168.604,1230 370.182,1231 487.6,1232 342,1233 135,1234 313.073,1235 174.766,1236 350.648,1237 505.12,1238 323,1239 5.796}
{0 CHEMBL594738,1 1.768,2 7.737,3 3.295,4 10.859,5 79.114,6 9.15,7 0.55,8 3.549,9 3.648,10 3.346,11 3.231,12 4.729,13 3.16,14 4.011,15 4.143,16 3.705,17 3.569,18 5.163,19 3.473,20 4.236,21 4.421,22 3.584,23 3.603,24 5.334,25 3.487,26 4.256,27 4.448,28 3.605,29 3.566,30 5.477,31 3.47,32 4.277,33 4.484,34 3.58,35 3.561,36 5.512,37 3.459,38 4.23,39 4.429,40 3.549,41 3.562,42 5.381,43 3.406,44 4.066,45 4.278,46 3.528,47 3.443,48 5.231,49 3.248,50 3.758,51 3.981,52 2.984,53 3.12,54 4.78,55 2.89,56 0.026,57 0.432,58 4.843,59 2.811,60 6.92,61 3.355,62 0.137,63 0.698,64 10.87,65 4.776,66 16.36,67 5.784,68 0.183,69 0.791,70 18.444,71 6.586,72 32.671,73 7.646,74 0.256,75 0.803,76 17.453,77 6.323,78 38.074,79 7.43,80 0.199,81 0.841,82 17.07,83 6.698,84 41.639,85 7.743,86 0.273,87 0.808,88 19.215,89 6.738,90 46.773,91 7.195,92 0.268,93 0.679,94 21.174,95 6.535,96 35.424,97 7.364,98 0.139,99 0.499,100 17.108,101 5.086,102 18.828,103 5.625,104 12,105 26,106 0.331,107 0.695,108 0.843,109 0.866,110 0.866,111 0.866,112 3.01,113 1.054,114 -4.45,115 -4.38,116 -4.12,118 43.8,120 1,121 1,128 1,129 1,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 8,157 2,159 2,161 2,162 11,166 2,170 2,171 10,174 1,175 5,179 3,181 7,185 5,188 3,190 7,194 3,198 6,201 4,205 1,207 4,215 1,219 1,221 1,224 482,225 12.853,226 12.853,227 12.853,228 12.853,229 12.853,230 11.22,231 13.93,232 7.883,233 13.319,234 9.837,235 9.837,236 9.837,237 9.837,238 9.837,239 7.444,240 16.594,241 3.666,242 10.64,243 3.232,244 1.29,245 0.5,246 0.375,247 0.375,248 0.375,249 3.664,250 1,252 1,253 1,254 303,255 3.24,258 60.481,259 68.663,261 1.224,262 18.133,264 1,265 1,266 1,267 1,268 0.6,269 0.5,270 1,271 1,272 0.87,273 40.333,274 147,275 4.239,276 3.795,277 6.454,278 3.996,279 2.999,280 3.722,281 1.987,282 9.963,283 2.991,284 3.945,285 2.964,286 5.449,287 3.443,288 2.557,289 3.501,290 0.324,291 7.234,292 2.288,293 3.719,294 2.714,295 5.128,296 3.24,297 2.347,298 3.066,300 6.251,301 2.04,302 3.253,303 2.518,304 4.798,305 2.787,306 1.836,307 2.471,309 5.14,310 1.669,311 2.809,312 1.807,313 3.9,314 2.397,315 1.414,316 1.776,318 3.149,319 1.375,320 2.572,321 1.318,322 3.414,323 2.053,324 1.118,325 1.56,326 2.351,327 1.029,328 2.5,329 1.101,330 3.345,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 1,338 3,339 1.514,340 0.618,341 0.927,342 1.372,343 0.506,344 2.012,345 0.618,346 2.901,347 1.416,348 0.531,349 0.708,350 0.993,351 0.485,352 1.099,353 0.407,354 2.441,355 0.631,356 -0.237,357 -0.297,358 -0.465,359 -0.166,360 0.971,361 0.204,362 2,363 0.541,364 -0.43,365 -0.561,366 -1.039,367 -0.409,368 0.542,369 -0.444,370 1.903,371 0.145,372 -0.835,373 -1.122,374 -1.553,375 -0.751,376 0.5,377 -0.71,378 1.554,380 -1,381 -1.5,383 -3,384 -1,385 0.011,386 -1,387 1.532,388 -0.421,389 -1.309,390 -1.647,392 -3.066,393 -1.107,394 -0.088,395 -1.101,396 1.112,397 -0.585,398 -1.414,399 -1.821,401 -3.158,402 -1.229,403 9.681,404 0.51,405 0.383,406 0.02,407 24.5,408 1.289,409 13,410 0.684,411 11.5,412 0.605,413 13.645,414 0.718,415 19.719,416 0.616,417 15.613,418 0.822,419 4.839,420 0.255,421 4.364,422 0.23,423 0.16,425 0.258,429 0.644,430 1.089,431 0.618,432 0.792,433 0.614,434 0.813,435 0.518,436 1.172,437 0.78,438 1.055,439 0.608,440 1.006,441 1.141,442 1.069,443 0.997,444 1.009,445 1.18,446 1.029,447 1.133,448 0.979,449 0.789,450 0.903,451 1.286,452 0.972,453 1.184,454 0.993,455 0.646,456 0.824,457 1.325,458 0.871,459 1.493,460 0.928,461 1.076,462 0.926,463 1.682,464 0.993,465 0.642,466 0.974,467 1.284,468 1.206,469 0.45,470 1.058,471 0.922,472 1.004,473 1.631,474 1.375,475 0.512,476 1.204,477 3.5,478 0.02,479 2,480 1.222,481 0.817,482 0.542,483 0.365,484 0.147,485 0.11,486 0.047,487 3027,488 10775,489 1.995,490 40.6,491 2,492 7,493 1,494 1,495 1,496 1,499 1.607,500 1.869,501 2.968,502 -0.249,504 1,506 1,507 56.591,508 1.768,509 3.71,510 4.5,511 4.625,512 4.625,513 4.625,514 2.465,515 3.827,516 4.218,517 3.103,518 530.541,519 7.207,520 5296.8,521 1,522 1,523 1,524 1,525 160,526 1.384,527 4.178,528 0.175,529 0.01,530 0.077,531 0.051,532 0.034,533 0.023,534 0.018,535 0.009,536 0.011,537 0.012,538 0.419,539 0.5,540 1,541 1.091,542 82.225,543 -0.047,544 -0.037,545 0.026,546 0.045,547 -0.075,548 0.025,549 0.197,550 -0.131,551 0.012,552 -0.136,553 0.029,554 -0.118,555 -0.139,556 -0.12,557 -0.118,558 -0.107,559 -0.126,560 -0.088,561 -0.004,562 -0.03,563 -0.018,564 -0.057,565 0.008,566 -0.052,567 -0.091,568 -0.032,569 0.064,570 0.061,571 0.04,572 0.07,573 -0.305,574 0.075,575 -0.121,576 0.073,577 -0.325,578 -0.041,579 0.201,580 0.015,581 -0.022,582 -0.066,583 0.193,584 -0.012,585 -0.154,586 -0.011,587 -0.283,588 -0.181,589 -0.02,590 -0.132,591 1.753,592 5.261,593 0.579,594 13.296,595 1.007,596 1.111,597 3.216,598 10.344,599 0.736,600 3.045,601 3.296,602 3.497,603 3.689,604 3.738,605 3.689,606 3.714,607 3.555,608 3.367,609 3.135,610 4.861,611 0.685,612 292.81,613 3.045,614 4.533,615 5.342,616 6.184,617 7.015,618 7.862,619 8.7,620 9.549,621 10.391,622 11.24,623 6.3,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 32,650 13,651 1,652 20,654 33,655 14,656 9,657 2,658 4,660 2,661 2,662 1,669 1,671 12,672 2,673 1,674 2,675 1,677 1,678 1,680 1,681 1,682 1,684 13,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,712 1,713 1,717 2,719 1,722 1,724 19,729 1,730 1,733 1,737 1,740 1,741 3.1,744 1,747 10.167,748 5.593,749 4.389,750 1.75,751 1.742,752 1.294,753 0.957,754 4.968,755 7.663,756 3.35,757 3.845,758 4.299,759 4.791,760 5.059,761 5.069,762 5.301,763 5.343,764 5.356,765 5.455,766 1,767 24,768 6.985,770 2.871,771 7.865,772 13.128,774 10.33,776 2.365,777 44.944,778 0.001,781 141.253,782 125.548,783 34.796,784 39.149,785 25.145,787 31.278,788 94.271,789 205.547,790 34.796,792 36.312,793 55.03,794 58.406,795 16.234,796 11.771,797 148.989,798 39.149,799 141.253,800 129.067,801 25.145,802 70.426,804 141.253,805 25.145,807 30.093,808 72.712,809 65.41,810 31.278,811 141.253,812 59.941,813 164.697,815 141.253,816 45.704,817 64.078,818 18.011,819 96.846,820 141.253,821 59.941,822 164.697,823 0.559,824 0.322,825 0.177,826 0.09,827 11,828 5,829 0.152,830 5,832 1,833 3.135,834 129.772,836 11,837 76.711,838 1,840 14.067,841 6.711,842 3.804,844 59.941,845 10.759,846 4.046,849 1.394,850 2.174,851 18.011,852 365.892,853 27.5,854 3.704,856 12.261,857 1.737,859 -0.086,860 32.233,861 35.561,862 0.354,863 0.742,864 0.9,865 0.925,866 0.925,867 0.925,868 4.53,869 0.618,870 5.293,871 2.275,872 3.97,873 4.527,874 2.076,875 6.033,876 3.84,877 5.698,878 0.531,879 6.808,880 1.372,881 3.434,882 4.086,883 1.593,884 6.823,885 3.23,886 6.961,887 -0.237,888 8.426,889 0.993,890 5.485,891 6.578,892 3.1,893 9.893,894 5.273,895 8.26,896 -0.43,897 10.106,898 -0.465,899 5.802,900 6.968,901 3.168,902 11.554,903 5.559,904 9.588,905 -0.835,906 11.828,907 -1.039,908 7.28,909 8.871,910 4.312,911 14.124,912 7.04,913 10.937,914 -1,915 13.579,916 -1.553,917 7.991,918 9.651,919 4.654,920 16.146,921 7.755,922 12.302,923 -1.309,924 15.352,925 -3,926 9.234,927 11.287,928 5.601,929 18.546,930 9.004,931 2.999,932 -1.414,933 17.142,934 -3.066,935 10.136,936 12.271,937 6.091,938 20.724,939 9.925,940 2.557,941 9.963,942 18.945,943 -3.158,944 11.281,945 13.769,946 6.927,947 23.062,948 11.079,949 2.347,950 7.234,951 20.758,952 3.722,953 12.276,954 14.872,955 7.5,956 25.308,957 12.094,958 1.836,959 6.251,960 22.581,961 3.501,962 13.382,963 16.292,964 8.273,965 27.622,966 13.21,967 1.414,968 5.14,969 24.411,970 3.066,971 14.423,972 17.465,973 8.894,974 29.897,975 14.269,976 1.118,977 3.149,978 26.246,979 2.471,980 15.516,981 18.84,982 9.631,983 32.202,984 15.371,985 1,986 2.351,987 28.087,988 1.776,989 16.581,990 20.058,991 10.279,992 34.489,993 16.449,994 3093,995 5930,996 13.118,997 23.54,998 29.586,999 29.685,1000 29.98,1001 28.956,1002 28.842,1003 38.464,1004 4.622,1005 77.455,1006 26.764,1007 5.125,1008 5.795,1009 6.213,1010 5.091,1011 4.999,1012 6.722,1013 3.497,1014 16.693,1015 4.991,1016 9.001,1017 1.479,1018 1.484,1019 1.499,1020 1.448,1021 1.442,1022 1.923,1023 0.231,1024 3.873,1025 1.338,1026 3.966,1027 3.991,1028 4.205,1029 3.908,1030 7.428,1031 3.898,1032 3.798,1033 3.824,1034 4.004,1035 3.78,1036 4.941,1037 3.701,1038 3.61,1039 3.654,1040 3.632,1041 3.517,1042 4.861,1043 3.501,1044 3.321,1045 3.362,1046 3.27,1047 3.147,1048 4.704,1049 3.153,1050 2.906,1051 2.967,1052 3.168,1053 2.736,1054 4.311,1055 2.744,1056 2.854,1057 2.925,1058 2.687,1059 2.735,1060 3.81,1061 2.715,1062 2.638,1063 2.713,1064 2.606,1065 2.469,1066 3.674,1067 2.439,1068 2.426,1069 2.476,1070 2.565,1071 2.245,1072 3.506,1073 2.195,1074 0.212,1075 0.19,1076 0.323,1077 0.2,1078 0.15,1079 4.239,1080 0.186,1081 3.795,1082 0.099,1083 6.454,1084 0.498,1085 3.996,1086 0.15,1087 2.999,1088 3.722,1089 1.987,1090 9.963,1091 2.991,1092 1.935,1093 1.912,1094 2.04,1095 2.017,1096 1.259,1097 2.029,1098 1.631,1099 1.59,1100 1.821,1101 1.771,1102 0.919,1103 1.79,1104 1.384,1105 1.367,1106 1.52,1107 1.62,1108 0.584,1109 1.599,1110 1.355,1111 1.304,1112 1.461,1113 1.476,1114 0.452,1115 1.509,1116 1.113,1117 1.08,1118 1.206,1119 1.235,1120 0.29,1121 1.285,1122 0.886,1123 0.821,1124 1.181,1125 1.062,1126 0.218,1127 1.107,1128 0.682,1129 0.669,1130 0.94,1131 0.91,1132 0.043,1133 0.935,1134 0.615,1135 0.528,1136 0.751,1137 0.829,1139 0.864,1140 3.714,1142 4.977,1143 2.398,1144 6.425,1145 4.443,1146 7.96,1147 6.26,1148 9.543,1151 5.859,1155 0.568,1156 2.808,1159 -0.279,1164 21.933,1165 56.591,1166 118.716,1167 144,1168 148,1169 148,1170 148,1171 33.919,1172 5.922,1173 41.99,1174 70.23,1175 11,1176 11.8,1177 3.807,1178 3.087,1179 33.46,1180 52,1181 55,1182 0.306,1183 146.833,1184 250.27,1185 350.033,1186 2159,1187 3.1,1188 13.665,1189 0.719,1190 0.618,1191 14.518,1192 11.747,1193 9.203,1194 0.46,1195 0.351,1196 5.832,1197 8.224,1198 5.581,1199 4.647,1200 9.946,1201 7.029,1202 7.836,1203 0.301,1204 0.203,1205 8.854,1206 5.286,1207 6.199,1208 0.194,1209 0.112,1210 7.104,1211 3.594,1212 4.979,1213 0.128,1214 0.061,1215 5.769,1216 2.392,1217 3.496,1218 0.085,1219 0.034,1220 4.008,1221 1.391,1222 0.466,1223 64.373,1224 0.276,1225 18.986,1226 0.881,1227 92,1228 284.777,1229 136.959,1230 330.04,1231 430.6,1232 306,1233 104,1234 267.617,1235 136.396,1236 296.31,1237 426.51,1238 278,1239 5.959}
{0 CHEMBL594739,1 1.801,2 7.87,3 4.47,4 19.983,5 94.767,6 10.379,7 0.68,8 3.666,9 3.746,10 3.563,11 3.406,12 4.864,13 3.346,14 4.126,15 4.225,16 3.962,17 3.776,18 5.342,19 3.696,20 4.361,21 4.51,22 3.883,23 3.835,24 5.527,25 3.73,26 4.369,27 4.533,28 3.862,29 3.78,30 5.607,31 3.694,32 4.401,33 4.569,34 3.881,35 3.792,36 5.672,37 3.725,38 4.427,39 4.592,40 3.973,41 3.87,42 5.621,43 3.75,44 4.342,45 4.52,46 4.097,47 3.82,48 5.614,49 3.668,50 4.095,51 4.253,52 3.686,53 3.596,54 5.221,55 3.393,56 0.052,57 0.433,58 2.981,59 2.561,60 5.416,61 2.952,62 0.157,63 0.722,64 7.336,65 4.531,66 13.565,67 5.158,68 0.268,69 0.851,70 18.797,71 6.915,72 34.723,73 7.498,74 0.287,75 0.868,76 18.124,77 6.875,78 32.359,79 7.942,80 0.291,81 0.949,82 14.693,83 6.962,84 39.969,85 7.282,86 0.342,87 0.947,88 17.008,89 7.402,90 48.762,91 7.73,92 0.423,93 0.898,94 23.182,95 8.218,96 45.98,97 8.647,98 0.25,99 0.649,100 23.342,101 6.601,102 24.125,103 6.728,104 10,105 34,106 0.325,107 0.6,108 0.689,109 0.73,110 0.73,111 0.73,112 3.189,113 1.018,114 -5.52,115 -5.4,116 -5.04,118 48.6,121 1,131 8,132 2,133 2,134 1,139 1,142 1,146 1,154 10,157 2,159 2,161 2,162 17,166 2,170 2,171 16,174 1,175 6,179 4,181 11,185 6,188 4,190 12,194 4,198 10,201 6,205 2,207 8,215 4,219 2,221 2,224 844,225 15.499,226 15.499,227 15.499,228 15.499,229 15.499,230 13.245,231 16.5,232 9.253,233 16.102,234 12.337,235 12.337,236 12.337,237 12.337,238 12.337,239 9.096,240 19.557,241 4.421,242 13.417,243 3.329,244 1.806,245 1.314,246 1.086,247 1.086,248 1.086,249 3.866,250 2,253 1,254 384,255 3.082,258 72.826,259 163.135,261 1.191,262 21.802,264 1,265 0.75,266 1,267 1,268 0.4,270 1,271 1,272 0.74,273 48.667,274 181,275 4.374,276 3.888,277 6.753,278 4.131,279 3.131,280 3.865,281 2.145,282 11.004,283 3.128,284 3.947,285 3.03,286 5.46,287 3.444,288 2.566,289 3.535,290 0.821,291 7.27,292 2.343,293 3.929,294 2.926,295 5.348,296 3.441,297 2.501,298 3.499,299 0.08,300 6.791,301 2.271,302 3.7,303 2.8,304 5.086,305 3.208,306 2.319,307 3.079,309 6.155,310 2,311 3.259,312 2.533,313 4.845,314 2.791,315 1.857,316 2.509,318 5.382,319 1.686,320 3.239,321 2.177,322 4.77,323 2.777,324 1.828,325 2.455,326 5.018,327 1.615,328 2.573,329 1.318,330 3.601,331 2.068,332 1.145,333 1.59,334 2.566,335 1.038,336 2.5,337 1.139,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 2.5,345 1,346 3.414,347 2,348 1,349 1.5,350 2.275,351 1,352 2.118,353 1,354 3.237,355 1.437,356 0.618,357 0.927,358 1.372,359 0.486,360 1.807,361 0.618,362 3,363 1.414,364 0.482,365 0.599,366 1.259,367 0.427,368 1.125,369 0.46,370 2.447,371 0.66,372 -0.178,373 -0.218,374 -0.384,375 -0.118,376 0.971,377 0.387,378 2.407,379 0.547,380 -0.382,381 -0.468,383 -0.965,384 -0.292,385 0.801,386 0.089,387 2,388 0.313,389 -0.585,390 -0.782,392 -1.371,393 -0.485,394 0.5,395 -0.687,396 2,398 -1,399 -1.5,401 -3,402 -0.942,403 11.895,404 0.517,405 0.541,406 0.024,407 32.25,408 1.402,409 18,410 0.783,411 14.25,412 0.62,413 16.921,414 0.736,415 22.905,416 0.654,417 21.689,418 0.943,419 6.303,420 0.274,421 4.828,422 0.21,423 0.148,425 0.294,429 0.61,430 0.982,431 0.547,432 0.689,433 0.559,434 0.703,435 0.54,436 1.118,437 0.719,438 0.981,439 0.59,440 0.948,441 1.16,442 1.059,443 1.066,444 1.057,445 1.18,446 1.093,447 0.934,448 1.046,449 0.81,450 0.994,451 1.041,452 1.028,453 1.217,454 1.001,455 0.577,456 0.789,457 1.579,458 0.849,459 1.299,460 0.962,461 0.858,462 0.828,463 1.582,464 0.956,465 0.528,466 0.963,467 1.011,468 1.105,469 0.371,470 0.916,471 1.279,472 1.078,473 1.88,474 1.483,475 0.798,476 1.352,477 4.5,478 0.04,479 2.444,480 1.722,481 1.119,482 0.694,483 0.658,484 0.267,485 0.207,486 0.144,487 5224,488 19920,489 2.067,490 34.3,492 8,493 1,494 1,495 1,496 1,499 1.666,500 1.944,501 3.001,502 -0.284,504 1,507 63.018,508 1.801,509 3.323,510 3.815,511 4.044,512 4.044,513 4.044,514 2.442,515 3.393,516 4.492,517 3.181,518 804.907,519 7.781,520 9188.91,522 1,524 1,525 179.525,526 1.371,527 4.458,528 0.18,529 0.008,530 0.072,531 0.054,532 0.035,533 0.02,534 0.021,535 0.009,536 0.011,537 0.014,538 0.424,539 0.33,540 0.88,541 0.58,542 106.022,543 -0.05,544 0.002,545 0.008,546 0.052,547 -0.066,548 0.038,549 0.131,550 -0.122,551 -0.025,552 -0.147,553 0.025,554 -0.143,555 -0.194,556 -0.113,557 -0.197,558 -0.164,559 -0.148,560 -0.165,561 0.022,562 -0.101,563 -0.046,564 -0.129,565 0.071,566 -0.079,567 -0.154,568 0.014,569 0.034,570 0.089,571 -0.106,572 0.072,573 -0.234,574 0.031,575 -0.037,576 0.116,577 -0.29,578 -0.003,579 0.343,580 0.083,581 0.127,582 0.05,583 0.358,584 0.146,585 -0.281,586 -0.106,587 -0.417,588 -0.304,589 -0.174,590 -0.293,591 1.815,592 5.771,593 0.739,594 17.883,595 1.016,596 1.1,597 4.294,598 18.434,599 0.783,600 3.258,601 3.555,602 3.784,603 4.025,604 4.174,605 4.205,606 4.344,607 4.29,608 4.234,609 4.174,610 5.245,611 0.736,612 363.28,613 3.258,614 4.779,615 5.609,616 6.472,617 7.322,618 8.191,619 9.05,620 9.922,621 10.787,622 11.661,623 5.7,628 1,631 1,633 10,634 1,637 1,638 5,639 17,648 2,649 35,650 18,651 2,652 25,654 37,655 17,656 15,657 4,658 8,660 3,661 3,662 2,671 16,672 1,673 1,674 1,677 1,680 1,682 1,684 12,685 3,686 1,687 6,688 3,691 2,692 1,693 1,703 1,704 2,709 1,717 3,719 1,722 2,724 23,730 1,733 1,737 1,740 2,741 2.9,744 1,747 11.833,748 6.236,749 5.083,750 1.924,751 2.125,752 1.326,753 0.996,754 5.184,755 8.64,756 3.57,757 4.147,758 4.653,759 5.2,760 5.597,761 5.693,762 6.079,763 6.321,764 6.521,765 6.82,766 1,767 32,768 8.462,770 3.593,771 7.843,772 15.897,774 12.881,776 2.343,777 53.889,781 129.482,782 142.362,783 34.796,784 78.297,785 25.145,787 31.278,788 111.084,789 232.924,790 34.796,792 18.011,793 83.459,794 58.406,795 22.921,796 11.771,797 137.218,798 78.297,799 129.482,800 145.881,801 25.145,802 109.575,804 129.482,805 25.145,807 27.559,808 101.536,809 95.083,810 31.278,811 129.482,812 59.941,813 220.659,815 129.482,816 49.855,817 92.506,818 18.011,819 120.228,820 129.482,821 59.941,822 220.659,823 0.577,824 0.328,825 0.176,826 0.094,827 16,828 7,829 0.108,830 4,832 1,833 3.496,834 181.961,836 17,837 82.042,838 1,840 16.28,841 7.324,842 4.037,844 59.941,845 17.965,846 4.099,849 1.379,850 3.535,851 18.011,852 410.083,853 34.5,856 12.771,859 -0.149,860 35.556,861 38.505,862 0.351,863 0.648,864 0.744,865 0.788,866 0.788,867 0.788,868 4.773,869 1,870 5.58,871 2.566,872 4.234,873 4.832,874 2.285,875 6.351,876 4.096,877 5.97,878 1,879 7.112,880 2.275,881 3.761,882 4.46,883 1.917,884 7.2,885 3.517,886 7.255,887 0.618,888 8.745,889 2.275,890 5.784,891 6.95,892 3.372,893 10.297,894 5.571,895 8.573,896 0.482,897 10.44,898 1.372,899 6.133,900 7.356,901 3.614,902 12.051,903 5.871,904 9.918,905 -0.178,906 12.178,907 1.259,908 7.61,909 9.289,910 4.73,911 14.679,912 7.379,913 11.282,914 -0.382,915 13.949,916 -0.384,917 8.35,918 10.07,919 5.234,920 16.823,921 8.116,922 12.66,923 -0.585,924 15.745,925 -0.965,926 9.608,927 11.742,928 6.182,929 19.299,930 9.398,931 3.131,932 -1,933 17.563,934 -1.371,935 10.543,936 12.731,937 6.811,938 21.601,939 10.353,940 2.566,941 11.004,942 19.397,943 -3,944 11.713,945 14.264,946 7.671,947 24.026,948 11.542,949 2.501,950 7.27,951 21.247,952 3.865,953 12.748,954 15.378,955 8.364,956 26.389,957 12.599,958 2.319,959 6.791,960 23.108,961 3.535,962 13.887,963 16.829,964 9.178,965 28.796,966 13.754,967 1.857,968 6.155,969 24.979,970 3.499,971 14.971,972 18.021,973 9.904,974 31.181,975 14.857,976 1.828,977 5.382,978 26.857,979 3.079,980 16.101,981 19.425,982 10.694,983 33.583,984 16.001,985 1.145,986 5.018,987 28.742,988 2.509,989 17.211,990 20.667,991 11.438,992 35.976,993 17.124,994 5110,995 10081,996 16.701,997 27.398,998 37.531,999 37.858,1000 38.016,1001 37.182,1002 36.898,1003 50.116,1004 6.092,1005 102.737,1006 33.989,1007 5.262,1008 5.888,1009 6.367,1010 5.228,1011 5.131,1012 6.865,1013 3.702,1014 17.749,1015 5.128,1016 10.271,1017 1.501,1018 1.514,1019 1.521,1020 1.487,1021 1.476,1022 2.005,1023 0.244,1024 4.109,1025 1.36,1026 4.012,1027 4.033,1028 4.207,1029 3.962,1030 7.428,1031 3.954,1032 3.817,1033 3.839,1034 4.042,1035 3.78,1036 4.964,1037 3.762,1038 3.796,1039 3.822,1040 3.951,1041 3.774,1042 4.914,1043 3.698,1044 3.407,1045 3.426,1046 3.58,1047 3.267,1048 4.86,1049 3.273,1050 2.937,1051 2.979,1052 3.216,1053 2.754,1054 4.379,1055 2.774,1056 2.854,1057 2.925,1058 3.157,1059 2.735,1060 4.222,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.735,1066 3.786,1067 2.715,1068 2.732,1069 2.752,1070 2.687,1071 2.68,1072 3.674,1073 2.652,1074 0.175,1075 0.156,1076 0.27,1077 0.165,1078 0.125,1079 4.374,1080 0.155,1081 3.888,1082 0.086,1083 6.753,1084 0.44,1085 4.131,1086 0.125,1087 3.131,1088 3.865,1089 2.145,1090 11.004,1091 3.128,1092 1.979,1093 1.96,1094 2.063,1095 2.048,1096 1.253,1097 2.058,1098 1.816,1099 1.795,1100 1.91,1101 1.882,1102 1.005,1103 1.902,1104 1.436,1105 1.418,1106 1.523,1107 1.667,1108 0.643,1109 1.632,1110 1.356,1111 1.321,1112 1.455,1113 1.484,1114 0.563,1115 1.512,1116 1.141,1117 1.121,1118 1.181,1119 1.222,1120 0.316,1121 1.266,1122 0.886,1123 0.821,1124 1.181,1125 1.062,1126 0.218,1127 1.107,1128 0.886,1129 0.821,1130 1.137,1131 1.062,1132 0.218,1133 1.107,1134 0.693,1135 0.671,1136 0.849,1137 0.876,1139 0.88,1140 3.932,1142 5.231,1143 2.398,1144 6.715,1145 4.443,1146 8.285,1147 6.26,1148 9.901,1151 11.903,1156 2.851,1159 -0.464,1164 25.761,1165 63.018,1166 116.306,1167 133.525,1168 141.525,1169 141.525,1170 141.525,1171 39.113,1172 6.515,1173 41.99,1174 70.23,1175 17,1176 12.203,1177 4.248,1178 3.392,1179 36.445,1180 66,1181 75,1182 0.253,1183 170.695,1184 288.84,1185 408.256,1186 4486,1187 5.7,1188 16.234,1189 0.706,1190 0.617,1191 17.587,1192 14.199,1193 11.131,1194 0.445,1195 0.339,1196 6.936,1197 9.843,1198 6.64,1199 5.474,1200 12.163,1201 8.481,1202 9.981,1203 0.294,1204 0.195,1205 11.407,1206 6.63,1207 8.047,1208 0.187,1209 0.105,1210 9.241,1211 4.524,1212 6.585,1213 0.12,1214 0.055,1215 7.541,1216 3.052,1217 4.961,1218 0.078,1219 0.031,1220 5.682,1221 1.954,1222 0.382,1223 79.118,1224 0.245,1225 22.269,1226 0.741,1227 118,1228 362.981,1229 178.478,1230 437.758,1231 570.25,1232 406,1233 136,1234 348.48,1235 178.155,1236 389.242,1237 564.15,1238 366,1239 4}
{0 CHEMBL594740,1 1.985,2 8.368,3 2.991,4 8.947,5 72.737,6 10.233,7 0.524,8 3.509,9 3.593,10 3.392,11 3.197,12 4.715,13 3.154,14 3.978,15 4.094,16 3.826,17 3.531,18 5.233,19 3.474,20 4.164,21 4.319,22 3.697,23 3.539,24 5.455,25 3.477,26 4.164,27 4.325,28 3.564,29 3.482,30 5.461,31 3.398,32 4.162,33 4.381,34 3.53,35 3.42,36 5.32,37 3.313,38 4.005,39 4.196,40 3.537,41 3.337,42 5.374,43 3.212,44 3.736,45 3.885,46 3.354,47 3.094,48 5.116,49 2.967,50 3.45,51 3.657,52 2.828,53 2.688,54 4.818,55 2.579,56 0.092,57 0.479,58 2.74,59 2.516,60 10.334,61 2.575,62 0.223,63 0.794,64 7.812,65 4.46,66 21.989,67 4.614,68 0.376,69 0.851,70 15.052,71 5.87,72 49.966,73 6.021,74 0.44,75 0.779,76 12.304,77 5.306,78 48.069,79 5.298,80 0.368,81 0.792,82 14.909,83 6.242,84 47.534,85 6.999,86 0.455,87 0.69,88 17.374,89 5.837,90 75.092,91 5.46,92 0.32,93 0.562,94 15.228,95 4.398,96 37.571,97 4.117,98 0.289,99 0.519,100 11.101,101 3.513,102 36.115,103 2.965,104 10,105 31,106 0.38,107 0.734,108 0.784,109 0.81,110 0.81,111 0.81,112 3.011,113 0.998,114 -4.67,115 -4.58,116 -4.31,118 44.8,120 2,122 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 8,157 2,159 2,161 2,162 10,166 3,170 3,171 10,174 1,175 4,179 2,181 6,185 5,188 2,190 4,194 2,198 4,201 3,205 1,207 2,219 1,221 1,224 434,225 12.618,226 12.618,227 12.618,228 12.618,229 12.618,230 11.117,231 15.36,232 7.17,233 13.152,234 10.3,235 10.3,236 10.3,237 10.3,238 10.3,239 8.082,240 21.053,241 3.36,242 11.27,243 2.873,244 1.021,245 0.759,246 0.621,247 0.621,248 0.621,249 3.667,250 1,253 1,254 342,255 3,256 36.744,258 58.378,259 66.733,261 1.335,262 25.681,265 1,266 1,267 1,268 0.6,269 0.5,270 1,271 1,272 0.87,273 41.833,274 159,275 4.782,276 4.207,277 7.996,278 4.688,279 3.686,280 4.049,281 1.987,282 15.184,283 3.692,284 4.089,285 3.088,286 5.652,287 3.542,288 2.701,289 3.708,290 0.324,291 7.722,292 2.313,293 3.851,294 2.953,295 5.423,296 3.367,297 2.445,298 3.337,300 6.595,301 2.196,302 3.33,303 2.854,304 5.001,305 2.912,306 1.996,307 2.544,309 5.602,310 1.793,311 3.072,312 2.227,313 4.771,314 2.652,315 1.732,316 2.244,318 5.008,319 1.531,320 2.795,321 1.882,322 4.483,323 2.376,324 1.414,325 1.793,326 3.854,327 1.315,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.205,337 0.873,338 3.28,339 1.571,340 0.724,341 1.062,342 1.721,343 0.603,344 1.281,345 0.582,346 3.19,347 1.042,348 0.101,349 0.112,350 0.238,351 0.086,352 1.022,353 0.442,354 3,355 0.592,356 -0.297,357 -0.355,358 -0.751,359 -0.23,360 0.797,361 0.114,362 2.894,363 0.418,364 -0.508,365 -0.632,366 -1.155,367 -0.417,368 0.5,369 -0.144,370 2,372 -0.843,373 -1,374 -2.006,375 -0.693,376 0.412,377 -0.719,378 1.927,380 -1,381 -1.031,383 -3,384 -1,385 0.003,386 -1,387 1.665,388 -0.04,389 -1,390 -1.5,392 -3.13,393 -1,395 -1,396 1.601,397 -0.428,398 -1.303,399 -1.58,401 -3.829,402 -1.038,403 9.467,404 0.498,405 0.573,406 0.03,407 24.25,408 1.276,409 12,410 0.632,411 12.25,412 0.645,413 14.262,414 0.751,415 19.933,416 0.687,417 14.702,418 0.774,419 4.468,420 0.235,421 4.631,422 0.244,423 0.141,424 0.053,425 0.264,428 1,429 0.579,430 0.907,431 0.568,432 0.734,433 0.508,434 0.735,435 0.504,436 1.044,437 0.636,438 1.017,439 0.557,440 0.936,441 0.932,442 0.951,443 0.991,444 1.029,445 0.951,446 1.035,447 0.868,448 0.693,449 0.917,450 0.954,451 0.969,452 1.184,453 0.792,454 0.805,455 0.584,456 0.76,457 0.863,458 0.866,459 0.894,460 0.77,461 1.175,462 0.97,463 0.821,464 0.859,465 1.062,466 1.263,467 1.806,468 1.583,469 0.913,470 1.418,471 2.028,472 1.459,473 1.523,474 1.124,475 1.915,476 1.02,477 5.5,478 0.049,479 2.333,480 1.958,481 0.787,482 0.656,483 0.36,484 0.15,485 0.128,486 0.057,487 3283,488 13012,489 2.069,490 34.5,491 4,492 4,494 1,495 1,499 1.603,500 1.916,501 3.057,502 -0.198,504 1,505 1,506 1,507 57.556,508 1.985,509 3.837,510 4.099,511 4.237,512 4.237,513 4.237,514 2.505,515 3.616,516 4.219,517 3.158,518 540.072,519 7.185,520 5244.7,521 1,522 1,523 1,524 1,525 140.881,526 1.638,527 4.16,528 0.262,529 0.016,530 0.083,531 0.073,532 0.036,533 0.031,534 0.019,535 0.011,536 0.014,537 0.009,538 0.554,539 0.67,540 1,541 0.644,542 82.112,543 -0.05,544 -0.01,545 0.013,546 0.063,547 -0.02,548 0.05,549 0.143,550 -0.141,551 0.118,552 -0.125,553 0.052,554 -0.068,555 -0.05,556 -0.077,557 -0.126,558 -0.145,559 -0.051,560 -0.102,561 -0.045,562 0.039,563 -0.169,564 -0.144,565 -0.076,566 -0.278,567 -0.015,568 -0.043,569 0.207,570 0.164,571 -0.015,572 0.201,573 0.017,574 0.094,575 -0.036,576 0.157,577 0.108,578 0.193,579 -0.009,580 -0.265,581 -0.38,582 -0.463,583 -0.009,584 -0.414,585 -0.435,586 0.13,587 -0.315,588 0.066,589 -0.326,590 0.023,591 2.077,592 5.291,593 0.737,594 12.781,595 1.03,596 1.12,597 3.437,598 11.811,599 0.749,600 3.091,601 3.466,602 3.689,603 3.871,604 3.892,605 3.912,606 3.951,607 3.738,608 3.497,609 3.219,610 4.9,611 0.717,612 296.77,613 3.091,614 4.654,615 5.525,616 6.431,617 7.328,618 8.244,619 9.154,620 10.076,621 10.995,622 11.922,623 6.9,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 29,650 12,651 1,652 21,654 31,655 13,656 9,657 2,658 4,660 3,661 3,662 1,664 1,665 1,666 2,669 2,671 10,672 3,674 1,677 1,680 1,682 1,683 1,684 10,685 4,686 1,687 6,688 2,691 2,692 1,693 1,701 1,703 1,704 1,709 1,717 3,719 1,722 1,723 1,724 19,729 2,730 1,735 1,737 1,740 2,741 3.4,744 1,747 9.917,748 5.236,749 4.083,750 1.702,751 1.704,752 1.279,753 0.988,754 3.213,755 7.811,756 3.35,757 3.946,758 4.432,759 4.92,760 5.173,761 5.243,762 5.486,763 5.393,764 5.324,765 5.497,766 0.833,767 27,768 7.044,770 3.149,771 8.08,772 13.109,774 11.18,776 2.58,777 49.028,778 0.001,781 105.94,782 102.485,783 34.796,784 39.149,785 25.145,786 14.96,787 31.278,788 71.207,789 170.233,790 49.756,792 23.08,793 37.905,794 58.406,795 38.488,797 125.447,798 39.149,799 105.94,800 106.003,801 40.105,802 70.426,804 105.94,805 25.145,806 14.96,807 39.922,808 49.296,809 55.934,810 31.278,811 120.9,812 59.941,813 141.633,815 105.94,816 55.532,817 46.952,818 18.011,819 96.039,820 105.94,821 74.901,822 141.633,823 0.598,824 0.334,825 0.168,826 0.078,827 17,828 7,829 0.097,830 3,832 1,833 3.182,834 140.484,836 14,837 74.711,838 1,840 12.857,841 4.748,842 2.592,844 74.901,845 8.359,846 3.795,849 0.827,850 1.461,851 18.011,852 322.474,853 27.5,856 12.291,859 -0.135,860 29.862,861 32.486,862 0.409,863 0.79,864 0.844,865 0.872,866 0.872,867 0.872,868 4.613,869 0.724,870 5.572,871 2.275,872 4.143,873 4.63,874 2.076,875 6.494,876 4.006,877 5.864,878 0.101,879 7.219,880 1.721,881 4.111,882 4.575,883 1.593,884 8.065,885 3.956,886 7.219,887 -0.297,888 8.997,889 0.238,890 5.938,891 6.806,892 3.1,893 11.152,894 5.765,895 8.612,896 -0.508,897 10.864,898 -0.751,899 6.723,900 7.492,901 3.168,902 13.586,903 6.591,904 10.04,905 -0.843,906 12.795,907 -1.155,908 8.15,909 9.251,910 4.312,911 16.383,912 8.023,913 11.494,914 -1,915 14.771,916 -2.006,917 9.262,918 10.273,919 4.654,920 19.038,921 9.177,922 12.968,923 -1,924 16.779,925 -3,926 10.583,927 11.832,928 5.601,929 21.776,930 10.512,931 3.686,932 -1.303,933 18.81,934 -3.13,935 11.816,936 13.019,937 6.091,938 24.481,939 11.772,940 2.701,941 15.184,942 20.857,943 -3.829,944 13.115,945 14.485,946 6.927,947 27.206,948 13.084,949 2.445,950 7.722,951 22.914,952 4.049,953 14.391,954 15.758,955 7.5,956 29.922,957 14.376,958 1.996,959 6.595,960 24.978,961 3.708,962 15.689,963 17.18,964 8.273,965 32.644,966 15.683,967 1.732,968 5.602,969 27.047,970 3.337,971 16.982,972 18.5,973 8.894,974 35.363,975 16.984,976 1.414,977 5.008,978 29.119,979 2.544,980 18.282,981 19.901,982 9.631,983 38.084,984 18.29,985 1,986 3.854,987 31.194,988 2.244,989 19.581,990 21.248,991 10.279,992 40.804,993 19.595,994 3228,995 6524,996 13.811,997 21.716,998 32.295,999 32.947,1000 33.373,1001 31.758,1002 31.597,1003 40.7,1004 4.622,1005 96.398,1006 29.06,1007 5.725,1008 6.207,1009 7.41,1010 5.804,1011 5.686,1012 7.049,1013 3.497,1014 23.062,1015 5.692,1016 9.048,1017 1.538,1018 1.569,1019 1.589,1020 1.512,1021 1.505,1022 1.938,1023 0.22,1024 4.59,1025 1.384,1026 4.053,1027 4.079,1028 4.235,1029 3.99,1030 8.201,1031 3.984,1032 3.811,1033 3.833,1034 4.039,1035 3.779,1036 7.428,1037 3.71,1038 3.692,1039 3.724,1040 3.779,1041 3.622,1042 4.941,1043 3.604,1044 3.141,1045 3.19,1046 3.194,1047 2.834,1048 4.765,1049 2.884,1050 2.854,1051 2.925,1052 3.06,1053 2.735,1054 4.391,1055 2.715,1056 2.773,1057 2.8,1058 2.687,1059 2.704,1060 4.033,1061 2.68,1062 2.477,1063 2.502,1064 2.61,1065 2.267,1066 3.674,1067 2.236,1068 2.248,1069 2.309,1070 2.475,1071 2.03,1072 3.67,1073 2.004,1074 0.228,1075 0.2,1076 0.381,1077 0.223,1078 0.176,1079 4.782,1080 0.193,1081 4.207,1082 0.095,1083 7.996,1084 0.723,1085 4.688,1086 0.176,1087 3.686,1088 4.049,1089 1.987,1090 15.184,1091 3.692,1092 1.899,1093 1.88,1094 1.983,1095 1.966,1096 1.151,1097 1.978,1098 1.443,1099 1.424,1100 1.513,1101 1.677,1102 0.825,1103 1.638,1104 1.323,1105 1.303,1106 1.508,1107 1.489,1108 0.7,1109 1.478,1110 1.153,1111 1.102,1112 1.383,1113 1.376,1114 0.472,1115 1.429,1116 1.119,1117 1.064,1118 1.181,1119 1.207,1120 0.321,1121 1.24,1122 0.886,1123 0.821,1124 1.112,1125 1.062,1126 0.218,1127 1.107,1128 0.679,1129 0.668,1130 0.832,1131 0.867,1133 0.864,1134 0.416,1135 0.325,1136 0.582,1137 0.708,1139 0.76,1140 3.761,1141 1.946,1142 5.118,1143 4.111,1144 6.676,1145 6.168,1146 8.327,1147 8.145,1148 10.034,1151 5.844,1152 12.847,1155 1.572,1156 2.674,1161 -0.507,1164 20.79,1165 57.556,1166 111.272,1167 118.881,1168 122.881,1169 122.881,1170 122.881,1171 36.717,1172 6.107,1173 41.99,1174 70.23,1175 14,1176 12.428,1177 3.7,1178 2.907,1179 27.825,1180 54,1181 55,1182 0.255,1183 133.973,1184 229.32,1185 318.654,1186 2671,1187 6.9,1188 13.458,1189 0.708,1190 0.6,1191 13.441,1192 11.393,1193 9.099,1194 0.433,1195 0.333,1196 5.819,1197 8.047,1198 5.615,1199 4.577,1200 9.448,1201 6.984,1202 8.611,1203 0.278,1204 0.191,1205 8.995,1206 5.93,1207 6.878,1208 0.176,1209 0.102,1210 7.455,1211 3.983,1212 5.412,1213 0.115,1214 0.056,1215 5.903,1216 2.61,1217 3.545,1218 0.074,1219 0.03,1220 3.712,1221 1.458,1222 0.39,1223 64.158,1224 0.269,1225 18.926,1226 0.726,1227 104,1228 376.888,1229 158.074,1230 389.4,1231 506.64,1232 360,1233 125,1234 322.294,1235 162.739,1236 346.048,1237 509.92,1238 325,1239 4}
{0 CHEMBL594744,1 1.548,2 8.4,3 3.334,4 11.114,5 80.234,6 7.805,7 0.571,8 3.674,9 3.793,10 3.273,11 3.278,12 4.792,13 3.229,14 4.176,15 4.346,16 3.617,17 3.647,18 5.243,19 3.567,20 4.458,21 4.66,22 3.672,23 3.785,24 5.502,25 3.675,26 4.547,27 4.79,28 3.613,29 3.731,30 5.625,31 3.623,32 4.495,33 4.701,34 3.524,35 3.686,36 5.707,37 3.592,38 4.488,39 4.745,40 3.47,41 3.696,42 5.439,43 3.543,44 4.34,45 4.579,46 3.518,47 3.587,48 5.41,49 3.424,50 4.209,51 4.488,52 2.938,53 3.334,54 5.114,55 3.115,56 0.014,57 0.498,58 7.068,59 3.346,60 5.906,61 4.47,62 0.097,63 0.781,64 13.488,65 5.677,66 19.054,67 7.723,68 0.173,69 0.974,70 21.119,71 7.64,72 32.466,73 10.169,74 0.174,75 1.023,76 24.136,77 8.282,78 38.059,79 11.232,80 0.356,81 0.98,82 20.486,83 7.018,84 67.259,85 8.974,86 0.184,87 0.945,88 22.942,89 8.254,90 36.895,91 11.27,92 0.235,93 0.81,94 21.393,95 7.16,96 39.403,97 9.81,98 0.239,99 0.675,100 23.921,101 6.223,102 34.063,103 8.513,104 18,105 28,106 0.282,107 0.616,108 0.757,109 0.823,110 0.823,111 0.823,112 3.058,113 0.988,114 -4.13,115 -4.07,116 -3.85,118 43.2,119 2,121 2,131 6,132 1,133 2,134 2,142 1,154 9,157 2,159 1,161 2,162 12,166 3,168 1,170 3,171 10,175 5,179 4,181 8,184 1,185 4,188 2,190 8,194 2,198 7,201 5,205 1,207 8,211 2,215 2,221 1,224 534,225 13.19,226 13.19,227 13.19,228 13.19,229 13.19,230 11.557,231 12.875,232 7.943,233 13.424,234 10.351,235 10.351,236 10.351,237 10.351,238 10.351,239 8.004,240 16.869,241 3.764,242 10.766,243 3.662,244 1.825,245 1.055,246 0.689,247 0.689,248 0.689,249 3.712,250 1,252 1,253 1,254 346,255 3.391,259 146.417,261 1.24,262 17.418,263 1,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.333,274 168,275 4.288,276 3.818,277 6.685,278 4.091,279 3.089,280 3.738,281 1.987,282 10.662,283 3.09,284 3.929,285 2.971,286 5.444,287 3.507,288 2.544,289 3.471,290 0.324,291 7.222,292 2.446,293 3.748,294 2.752,295 5.18,296 3.318,297 2.386,298 3.107,300 6.35,301 2.209,302 3.26,303 2.506,304 4.807,305 2.813,306 1.844,307 2.485,309 5.18,310 1.793,311 2.972,312 1.935,313 4.562,314 2.759,315 1.779,316 2.073,318 4.374,319 1.641,320 2.812,321 1.519,322 3.592,323 2.344,324 1.375,325 1.866,326 2.981,327 1.326,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.247,339 1.956,340 1,341 1.5,342 2.136,343 0.953,344 1.548,345 0.924,346 3.142,347 1.302,348 0.341,349 0.39,350 0.865,351 0.309,352 1.177,353 0.48,354 2.529,355 0.762,356 -0.202,357 -0.255,358 -0.473,359 -0.171,360 0.885,361 0.193,362 2,363 0.44,364 -0.456,365 -0.578,366 -1.046,367 -0.363,368 0.5,369 -0.567,370 1.936,372 -1,373 -1,374 -2,375 -0.965,376 0.5,377 -0.885,378 1.593,380 -1,381 -1.417,383 -2.258,384 -0.99,385 0.464,386 -1,387 1.559,388 -0.004,389 -1,390 -1.5,392 -2.347,393 -1,395 -1,396 1.555,397 -0.031,398 -1,399 -1.5,401 -3,402 -1,403 9.848,404 0.492,405 0.511,406 0.026,407 26,408 1.3,409 14,410 0.7,411 12,412 0.6,413 15.427,414 0.771,415 21.352,416 0.577,417 16.965,418 0.848,419 4.992,420 0.25,421 4.583,422 0.229,423 0.208,425 0.305,429 0.632,430 1.219,431 0.644,432 0.955,433 0.581,434 0.928,435 0.584,436 1.143,437 0.692,438 0.957,439 0.565,440 0.958,441 1.029,442 1.082,443 0.992,444 1.072,445 1.077,446 1.071,447 1.026,448 1.045,449 0.792,450 0.967,451 1.043,452 0.908,453 1.847,454 0.95,455 0.9,456 0.892,457 2.344,458 1.025,459 0.872,460 0.917,461 0.796,462 0.9,463 0.991,464 0.929,465 0.562,466 1.122,467 0.962,468 1.129,469 0.535,470 1.102,471 1.233,472 0.791,473 1.767,474 1.126,475 0.761,476 1.101,477 4,478 0.025,479 2,480 1.688,481 1.013,482 0.688,483 0.548,484 0.097,485 0.122,486 0.062,487 3437,488 10378,489 1.966,490 45.9,491 7,492 6,494 2,495 1,496 1,499 1.622,500 1.818,501 3.04,502 -0.32,503 1,504 1,506 1,507 57.263,508 1.548,509 3.385,510 4.155,511 4.52,512 4.52,513 4.52,514 2.504,515 3.622,516 4.293,517 3.165,518 601.264,519 7.354,520 6155.25,521 1,522 1,523 1,524 1,525 192.75,526 1.485,527 4.237,528 0.19,529 0.008,530 0.071,531 0.06,532 0.038,533 0.029,534 0.025,535 0.005,536 0.011,537 0.01,538 0.448,539 0.83,540 1,541 0.897,542 88.143,543 -0.028,544 -0.069,545 0.01,546 -0.006,547 -0.049,548 0.01,549 0.11,550 -0.064,551 0.052,552 -0.005,553 0.072,554 -0.005,555 -0.064,556 -0.067,557 -0.096,558 -0.113,559 -0.094,560 -0.117,561 -0.005,562 -0.086,563 0.056,564 -0.023,565 0.105,566 0.055,567 -0.278,568 0.072,569 -0.187,570 -0.007,571 -0.293,572 -0.143,573 -0.028,574 0.009,575 0.06,576 0.071,577 -0.05,578 0.065,579 0.236,580 -0.187,581 0.083,582 -0.129,583 0.164,584 -0.099,585 -0.237,586 0.133,587 -0.326,588 -0.099,589 -0.159,590 -0.093,591 1.699,592 5.468,593 0.6,594 13.83,595 0.998,596 1.121,597 2.897,598 8.391,599 0.687,600 3.091,601 3.367,602 3.555,603 3.761,604 3.85,605 3.761,606 3.807,607 3.611,608 3.434,609 3.367,610 5.001,611 0.643,612 288.8,613 3.091,614 4.595,615 5.407,616 6.26,617 7.089,618 7.948,619 8.785,620 9.645,621 10.487,622 11.348,623 5.4,628 1,631 1,633 8,634 1,638 3,639 12,648 1,649 37,650 13,651 1,652 21,654 38,655 16,656 11,657 2,658 4,660 2,661 2,662 1,663 2,671 12,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 17,685 3,686 1,687 4,688 1,691 2,692 1,693 1,699 1,704 2,709 1,717 2,721 2,722 1,724 20,730 1,733 2,740 1,741 2.7,744 1,747 11,748 7.093,749 4.5,750 2.225,751 1.939,752 1.321,753 0.938,754 4.884,755 7.989,756 3.367,757 3.892,758 4.344,759 4.848,760 5.281,761 5.153,762 5.382,763 5.455,764 5.34,765 5.668,766 0.833,767 28,768 7.372,770 3.027,771 7.797,772 13.982,774 11.074,776 2.297,777 45.944,778 0.001,781 188.338,782 106.75,783 34.796,784 39.149,785 25.145,788 106.75,789 252.631,790 34.796,791 17.65,792 18.011,793 56.857,794 70.177,795 27.538,797 164.795,798 39.149,799 188.338,800 141.547,801 25.145,802 39.149,804 188.338,805 25.145,807 53.756,808 71.005,809 55.934,811 188.338,812 59.941,813 145.899,815 188.338,816 14.148,817 92.603,818 18.011,819 81.079,820 188.338,821 59.941,822 145.899,823 0.574,824 0.323,825 0.175,826 0.089,827 12,828 6,829 0.105,830 4,832 1,833 3.172,834 141.222,836 12,837 80.439,840 14.702,841 6.644,842 3.896,844 59.941,845 14.344,846 3.994,850 2.34,851 18.011,852 394.178,853 28,856 12.468,859 -0.032,860 36.923,861 41.472,862 0.297,863 0.65,864 0.798,865 0.868,866 0.868,867 0.868,868 4.564,869 1,870 5.38,871 2.275,872 4.043,873 4.575,874 2.076,875 6.142,876 3.978,877 5.745,878 0.341,879 6.913,880 2.136,881 3.611,882 4.182,883 1.593,884 7.013,885 3.505,886 7.017,887 -0.202,888 8.55,889 0.865,890 5.58,891 6.63,892 3.1,893 10.092,894 5.478,895 8.321,896 -0.456,897 10.252,898 -0.473,899 5.943,900 6.953,901 3.168,902 11.85,903 5.833,904 9.652,905 -1,906 11.997,907 -1.046,908 7.41,909 8.928,910 4.312,911 14.46,912 7.3,913 11.004,914 -1,915 13.775,916 -2,917 8.157,918 9.607,919 4.654,920 16.588,921 8.06,922 12.371,923 -1,924 15.577,925 -2.258,926 9.414,927 11.343,928 5.601,929 19.039,930 9.316,931 3.089,932 -1,933 17.4,934 -2.347,935 10.351,936 12.23,937 6.091,938 21.314,939 10.272,940 2.544,941 10.662,942 19.238,943 -3,944 11.52,945 13.821,946 6.927,947 23.71,948 11.443,949 2.386,950 7.222,951 21.089,952 3.738,953 12.552,954 14.841,955 7.5,956 26.041,957 12.491,958 1.844,959 6.35,960 22.95,961 3.471,962 13.686,963 16.338,964 8.273,965 28.418,966 13.63,967 1.779,968 5.18,969 24.819,970 3.107,971 14.764,972 17.448,973 8.894,974 30.771,975 14.72,976 1.375,977 4.374,978 26.694,979 2.485,980 15.887,981 18.882,982 9.631,983 33.141,984 15.848,985 1,986 2.981,987 28.574,988 2.073,989 16.988,990 20.054,991 10.279,992 35.503,993 16.958,994 3509,995 6187,996 13.523,997 25.415,998 31.113,999 31.984,1000 32.148,1001 30.864,1002 30.719,1003 40.258,1004 4.622,1005 84.09,1006 29.538,1007 5.167,1008 5.818,1009 6.487,1010 5.127,1011 5.089,1012 6.738,1013 3.497,1014 17.39,1015 5.09,1016 10.53,1017 1.482,1018 1.523,1019 1.531,1020 1.47,1021 1.463,1022 1.917,1023 0.22,1024 4.004,1025 1.407,1026 3.979,1027 4.009,1028 4.014,1029 3.912,1030 7.428,1031 3.906,1032 3.849,1033 3.89,1034 3.821,1035 3.739,1036 4.942,1037 3.746,1038 3.64,1039 3.69,1040 3.625,1041 3.53,1042 4.903,1043 3.517,1044 3.303,1045 3.356,1046 3.223,1047 3.073,1048 4.356,1049 3.089,1050 2.914,1051 3.009,1052 3.167,1053 2.801,1054 4.127,1055 2.79,1056 2.874,1057 2.968,1058 2.687,1059 2.735,1060 3.976,1061 2.715,1062 2.854,1063 2.925,1064 2.683,1065 2.618,1066 3.774,1067 2.6,1068 2.769,1069 2.846,1070 2.605,1071 2.598,1072 3.674,1073 2.57,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.288,1080 0.178,1081 3.818,1082 0.095,1083 6.685,1084 0.508,1085 4.091,1086 0.147,1087 3.089,1088 3.738,1089 1.987,1090 10.662,1091 3.09,1092 1.945,1093 1.921,1094 2.062,1095 2.042,1096 1.319,1097 2.049,1098 1.816,1099 1.777,1100 1.929,1101 1.949,1102 0.999,1103 1.95,1104 1.646,1105 1.596,1106 1.867,1107 1.791,1108 0.943,1109 1.823,1110 1.216,1111 1.167,1112 1.417,1113 1.488,1114 0.516,1115 1.463,1116 0.934,1117 0.847,1118 1.403,1119 1.239,1120 0.469,1121 1.308,1122 0.899,1123 0.821,1124 1.181,1125 1.071,1126 0.225,1127 1.107,1128 0.886,1129 0.804,1130 1.136,1131 1.062,1132 0.218,1133 1.102,1134 0.726,1135 0.666,1136 0.989,1137 0.976,1139 0.992,1140 3.761,1142 5.043,1144 6.521,1146 8.084,1148 9.69,1150 4.06,1151 5.896,1156 2.902,1159 -0.027,1164 23.8,1165 57.263,1166 125.24,1167 153.73,1168 167.24,1169 167.24,1170 167.24,1171 38.08,1172 6.05,1173 41.99,1174 41.99,1175 12,1176 11.902,1177 3.807,1178 3,1179 36.239,1180 57,1181 60,1182 0.305,1183 154.887,1184 266.36,1185 369.684,1186 2599,1187 2.7,1188 14.535,1189 0.727,1190 0.613,1191 15.035,1192 12.263,1193 9.575,1194 0.456,1195 0.329,1196 6.522,1197 9.062,1198 6.244,1199 5.269,1200 9.864,1201 6.918,1202 8.558,1203 0.306,1204 0.194,1205 8.967,1206 5.441,1207 6.462,1208 0.19,1209 0.099,1210 6.75,1211 3.359,1212 5.443,1213 0.13,1214 0.055,1215 5.609,1216 2.292,1217 3.845,1218 0.084,1219 0.03,1220 4.059,1221 1.376,1222 0.466,1223 62.113,1224 0.272,1225 19.837,1226 0.876,1227 98,1228 277.917,1229 119.175,1230 304.6,1231 398.81,1232 282,1233 111,1234 261.865,1235 126.277,1236 278.657,1237 398.83,1238 261,1239 4.31}
{0 CHEMBL594745,1 1.548,2 8.4,3 3.873,4 14.999,5 80.548,6 7.805,7 0.571,8 3.674,9 3.793,10 3.273,11 3.278,12 4.79,13 3.229,14 4.176,15 4.347,16 3.622,17 3.644,18 5.255,19 3.564,20 4.459,21 4.665,22 3.669,23 3.773,24 5.499,25 3.667,26 4.53,27 4.769,28 3.618,29 3.72,30 5.641,31 3.614,32 4.492,33 4.703,34 3.52,35 3.676,36 5.673,37 3.585,38 4.485,39 4.739,40 3.481,41 3.668,42 5.479,43 3.524,44 4.325,45 4.574,46 3.506,47 3.559,48 5.401,49 3.408,50 4.126,51 4.367,52 2.93,53 3.369,54 5.043,55 3.144,56 0.014,57 0.498,58 7.068,59 3.346,60 5.642,61 4.47,62 0.114,63 0.786,64 13.48,65 5.738,66 19.601,67 7.788,68 0.16,69 0.973,70 21.308,71 7.498,72 32.85,73 10.028,74 0.221,75 1.012,76 23.61,77 8.036,78 42.542,79 10.926,80 0.297,81 0.985,82 20.459,83 6.943,84 59.238,85 8.93,86 0.2,87 0.946,88 22.927,89 7.978,90 40.888,91 10.845,92 0.297,93 0.806,94 21.54,95 6.587,96 43.158,97 9.068,98 0.163,99 0.612,100 21.453,101 6.298,102 26.269,103 8.412,104 18,105 28,106 0.282,107 0.606,108 0.746,109 0.823,110 0.823,111 0.823,112 3.058,113 0.99,114 -4.94,115 -4.84,116 -4.54,118 43.2,119 2,121 2,131 7,132 1,133 1,134 1,136 1,142 1,154 10,157 3,159 2,161 2,162 13,166 3,170 3,171 10,174 1,175 6,179 5,181 8,185 5,188 2,190 8,194 5,198 8,201 3,205 1,207 10,215 6,219 1,221 3,224 534,225 13.19,226 13.19,227 13.19,228 13.19,229 13.19,230 11.557,231 12.875,232 7.943,233 13.427,234 10.351,235 10.351,236 10.351,237 10.351,238 10.351,239 8.004,240 16.869,241 3.764,242 10.778,243 3.662,244 1.882,245 1.112,246 0.689,247 0.689,248 0.689,249 3.712,250 1,252 1,253 1,254 346,255 3.391,259 146.417,261 1.24,262 17.515,263 1,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.333,274 168,275 4.288,276 3.818,277 6.685,278 4.09,279 3.089,280 3.738,281 1.987,282 10.662,283 3.089,284 3.929,285 2.971,286 5.444,287 3.491,288 2.544,289 3.471,290 0.324,291 7.222,292 2.405,293 3.748,294 2.752,295 5.18,296 3.314,297 2.386,298 3.107,300 6.35,301 2.202,302 3.26,303 2.506,304 4.807,305 2.816,306 1.844,307 2.485,309 5.18,310 1.798,311 2.972,312 1.935,313 4.562,314 2.759,315 1.779,316 2.073,318 4.374,319 1.642,320 2.812,321 1.519,322 3.592,323 2.365,324 1.375,325 1.866,326 2.981,327 1.354,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.247,339 1.958,340 1,341 1.5,342 2.136,343 0.956,344 1.548,345 0.924,346 3.142,347 1.301,348 0.341,349 0.39,350 0.865,351 0.309,352 1.177,353 0.48,354 2.529,355 0.763,356 -0.202,357 -0.255,358 -0.473,359 -0.171,360 0.885,361 0.193,362 2,363 0.44,364 -0.456,365 -0.578,366 -1.046,367 -0.364,368 0.5,369 -0.567,370 1.936,372 -1,373 -1,374 -2,375 -0.963,376 0.5,377 -0.885,378 1.593,380 -1,381 -1.417,383 -2.258,384 -0.99,385 0.464,386 -1,387 1.559,388 -0.004,389 -1,390 -1.5,392 -2.347,393 -1,395 -1,396 1.555,397 -0.029,398 -1,399 -1.5,401 -3,402 -1,403 9.848,404 0.492,405 0.511,406 0.026,407 26,408 1.3,409 14,410 0.7,411 12,412 0.6,413 15.411,414 0.771,415 21.352,416 0.577,417 16.981,418 0.849,419 4.992,420 0.25,421 4.583,422 0.229,423 0.208,425 0.305,429 0.632,430 1.219,431 0.644,432 0.955,433 0.587,434 0.928,435 0.515,436 1.111,437 0.685,438 0.971,439 0.545,440 0.972,441 1.097,442 1.126,443 0.985,444 1.047,445 1.099,446 1.038,447 0.994,448 1.05,449 0.808,450 0.974,451 1.025,452 0.925,453 1.848,454 0.991,455 0.883,456 0.896,457 2.243,458 1.009,459 1.02,460 0.987,461 0.816,462 0.904,463 1.16,464 0.929,465 0.788,466 0.867,467 0.998,468 0.934,469 0.631,470 0.964,471 1.044,472 1.003,473 1.902,474 1.428,475 0.718,476 1.363,477 4,478 0.025,479 2,480 1.688,481 1.013,482 0.688,483 0.548,484 0.097,485 0.122,486 0.062,487 3437,488 10278,489 1.966,490 45.9,491 7,492 7,494 1,495 1,496 1,499 1.622,500 1.818,501 3.04,502 -0.32,504 1,506 1,507 57.263,508 1.548,509 3.327,510 4.097,511 4.52,512 4.52,513 4.52,514 2.504,515 3.622,516 4.293,517 3.165,518 601.264,519 7.354,520 6155.25,522 1,523 1,524 1,525 192.75,526 1.485,527 4.237,528 0.19,529 0.008,530 0.071,531 0.06,532 0.038,533 0.029,534 0.025,535 0.005,536 0.011,537 0.01,538 0.448,539 0.67,540 1,541 0.897,542 88.143,543 -0.028,544 -0.069,545 0.01,546 -0.006,547 -0.056,548 0.01,549 0.18,550 -0.031,551 0.059,552 -0.02,553 0.092,554 -0.02,555 -0.112,556 -0.109,557 -0.084,558 -0.092,559 -0.103,560 -0.088,561 0.06,562 -0.078,563 0.042,564 -0.035,565 0.143,566 0.03,567 -0.338,568 0.036,569 -0.17,570 -0.015,571 -0.312,572 -0.125,573 -0.059,574 -0.049,575 0.049,576 0.052,577 -0.075,578 0.048,579 0.133,580 0.117,581 0.072,582 0.04,583 0.121,584 0.012,585 -0.19,586 -0.121,587 -0.446,588 -0.347,589 -0.176,590 -0.322,591 1.721,592 5.455,593 0.6,594 13.83,595 0.998,596 1.121,597 3.709,598 13.755,599 0.687,600 3.091,601 3.367,602 3.555,603 3.761,604 3.85,605 3.761,606 3.807,607 3.611,608 3.434,609 3.367,610 5.001,611 0.643,612 288.8,613 3.091,614 4.595,615 5.407,616 6.26,617 7.089,618 7.948,619 8.785,620 9.645,621 10.487,622 11.348,623 5.4,628 1,631 1,633 8,634 1,638 3,639 12,648 1,649 37,650 13,651 1,652 21,654 38,655 16,656 11,657 2,658 4,660 2,661 2,662 1,663 2,671 12,672 4,673 2,674 1,677 1,680 1,682 1,684 17,685 3,686 1,687 4,688 1,691 2,692 1,693 1,699 1,704 2,709 1,717 2,721 2,722 1,724 20,730 1,733 2,740 1,741 2.7,744 1,747 11,748 7.093,749 4.5,750 2.236,751 1.939,752 1.321,753 0.938,754 4.884,755 7.989,756 3.367,757 3.892,758 4.344,759 4.848,760 5.281,761 5.153,762 5.382,763 5.455,764 5.34,765 5.668,766 0.833,767 28,768 7.374,770 3.029,771 7.797,772 13.982,774 11.065,776 2.297,777 45.944,778 0.001,781 188.338,782 106.75,783 34.796,784 39.149,785 25.145,788 106.75,789 252.631,790 34.796,791 17.65,792 18.011,793 66.334,794 58.406,795 15.734,796 2.328,797 176.567,798 39.149,799 188.338,800 141.547,801 25.145,802 39.149,804 188.338,805 25.145,807 44.709,808 80.052,809 55.934,811 188.338,812 59.941,813 145.899,815 188.338,816 13.719,817 93.032,818 18.011,819 81.079,820 188.338,821 59.941,822 145.899,823 0.574,824 0.323,825 0.175,826 0.089,827 12,828 6,829 0.105,830 4,832 1,833 3.172,834 141.222,836 12,837 80.439,840 14.702,841 6.644,842 3.896,844 59.941,845 14.486,846 4.115,850 2.191,851 18.011,852 394.178,853 28,856 12.455,859 -0.055,860 36.923,861 41.472,862 0.297,863 0.639,864 0.786,865 0.868,866 0.868,867 0.868,868 4.564,869 1,870 5.38,871 2.275,872 4.043,873 4.575,874 2.076,875 6.142,876 3.974,877 5.745,878 0.341,879 6.913,880 2.136,881 3.611,882 4.182,883 1.593,884 7.013,885 3.489,886 7.017,887 -0.202,888 8.55,889 0.865,890 5.58,891 6.63,892 3.1,893 10.092,894 5.467,895 8.321,896 -0.456,897 10.252,898 -0.473,899 5.943,900 6.953,901 3.168,902 11.85,903 5.812,904 9.652,905 -1,906 11.997,907 -1.046,908 7.41,909 8.928,910 4.312,911 14.46,912 7.284,913 11.004,914 -1,915 13.775,916 -2,917 8.157,918 9.607,919 4.654,920 16.588,921 8.039,922 12.371,923 -1,924 15.577,925 -2.258,926 9.414,927 11.343,928 5.601,929 19.039,930 9.298,931 3.089,932 -1,933 17.4,934 -2.347,935 10.351,936 12.23,937 6.091,938 21.314,939 10.253,940 2.544,941 10.662,942 19.238,943 -3,944 11.52,945 13.821,946 6.927,947 23.71,948 11.426,949 2.386,950 7.222,951 21.089,952 3.738,953 12.552,954 14.841,955 7.5,956 26.041,957 12.475,958 1.844,959 6.35,960 22.95,961 3.471,962 13.686,963 16.338,964 8.273,965 28.418,966 13.615,967 1.779,968 5.18,969 24.819,970 3.107,971 14.764,972 17.448,973 8.894,974 30.771,975 14.706,976 1.375,977 4.374,978 26.694,979 2.485,980 15.887,981 18.882,982 9.631,983 33.141,984 15.836,985 1,986 2.981,987 28.574,988 2.073,989 16.988,990 20.054,991 10.279,992 35.503,993 16.946,994 3509,995 6161,996 13.523,997 25.415,998 31.113,999 31.984,1000 32.148,1001 30.875,1002 30.719,1003 40.258,1004 4.622,1005 84.09,1006 29.511,1007 5.167,1008 5.818,1009 6.487,1010 5.13,1011 5.089,1012 6.738,1013 3.497,1014 17.39,1015 5.089,1016 10.53,1017 1.482,1018 1.523,1019 1.531,1020 1.47,1021 1.463,1022 1.917,1023 0.22,1024 4.004,1025 1.405,1026 3.978,1027 4.008,1028 4.014,1029 3.911,1030 7.428,1031 3.905,1032 3.847,1033 3.889,1034 3.818,1035 3.735,1036 4.942,1037 3.742,1038 3.641,1039 3.691,1040 3.627,1041 3.533,1042 4.898,1043 3.52,1044 3.311,1045 3.364,1046 3.223,1047 3.083,1048 4.355,1049 3.099,1050 2.916,1051 3.009,1052 3.173,1053 2.804,1054 4.125,1055 2.793,1056 2.874,1057 2.969,1058 2.687,1059 2.735,1060 3.928,1061 2.715,1062 2.854,1063 2.925,1064 2.683,1065 2.625,1066 3.804,1067 2.621,1068 2.783,1069 2.858,1070 2.607,1071 2.618,1072 3.674,1073 2.57,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.288,1080 0.178,1081 3.818,1082 0.095,1083 6.685,1084 0.508,1085 4.09,1086 0.147,1087 3.089,1088 3.738,1089 1.987,1090 10.662,1091 3.089,1092 1.944,1093 1.921,1094 2.061,1095 2.041,1096 1.319,1097 2.049,1098 1.815,1099 1.774,1100 1.933,1101 1.949,1102 0.999,1103 1.95,1104 1.648,1105 1.598,1106 1.867,1107 1.791,1108 0.935,1109 1.824,1110 1.227,1111 1.177,1112 1.417,1113 1.495,1114 0.523,1115 1.473,1116 0.934,1117 0.847,1118 1.412,1119 1.239,1120 0.469,1121 1.308,1122 0.899,1123 0.821,1124 1.181,1125 1.071,1126 0.225,1127 1.107,1128 0.886,1129 0.804,1130 1.141,1131 1.062,1132 0.218,1133 1.102,1134 0.759,1135 0.698,1136 1.009,1137 0.989,1138 0.002,1139 1.011,1140 3.761,1142 5.043,1144 6.521,1146 8.084,1148 9.69,1150 4.05,1151 5.895,1156 2.853,1159 -0.047,1164 23.8,1165 57.263,1166 123.098,1167 151.589,1168 167.24,1169 167.24,1170 167.24,1171 37.845,1172 6.05,1173 41.99,1174 41.99,1175 12,1176 11.902,1177 3.807,1178 3,1179 36.239,1180 57,1181 60,1182 0.305,1183 154.887,1184 266.36,1185 369.684,1186 2599,1187 2.7,1188 14.535,1189 0.727,1190 0.613,1191 15.035,1192 12.263,1193 9.575,1194 0.456,1195 0.33,1196 6.534,1197 9.067,1198 6.259,1199 5.28,1200 9.864,1201 6.928,1202 8.558,1203 0.306,1204 0.193,1205 8.967,1206 5.414,1207 6.462,1208 0.19,1209 0.098,1210 6.75,1211 3.346,1212 5.443,1213 0.13,1214 0.054,1215 5.609,1216 2.276,1217 3.845,1218 0.084,1219 0.03,1220 4.059,1221 1.372,1222 0.466,1223 62.067,1224 0.272,1225 19.837,1226 0.876,1227 98,1228 277.917,1229 119.564,1230 304.408,1231 399.73,1232 282,1233 111,1234 264.217,1235 126.415,1236 280.058,1237 402.17,1238 263,1239 5.854}
{0 CHEMBL594746,1 1.696,2 8.524,3 4.46,4 19.889,5 81.779,6 8.292,7 0.545,8 3.687,9 3.801,10 3.328,11 3.276,12 4.867,13 3.244,14 4.193,15 4.357,16 3.705,17 3.642,18 5.416,19 3.583,20 4.476,21 4.675,22 3.746,23 3.77,24 5.618,25 3.689,26 4.547,27 4.779,28 3.705,29 3.717,30 5.765,31 3.635,32 4.509,33 4.714,34 3.57,35 3.674,36 5.749,37 3.601,38 4.499,39 4.746,40 3.583,41 3.666,42 5.692,43 3.543,44 4.345,45 4.585,46 3.596,47 3.554,48 5.508,49 3.436,50 4.166,51 4.389,52 3.213,53 3.359,54 5.366,55 3.212,56 0.044,57 0.568,58 6.307,59 3.381,60 7.382,61 4.188,62 0.211,63 0.899,64 12.704,65 5.775,66 27.747,67 7.467,68 0.285,69 1.077,70 20.992,71 7.556,72 47.882,73 9.494,74 0.407,75 1.105,76 23.933,77 8.063,78 55.529,79 10.599,80 0.462,81 1.051,82 20.216,83 6.991,84 75.478,85 8.354,86 0.43,87 0.983,88 23.238,89 7.996,90 80.768,91 10.703,92 0.394,93 0.889,94 21.581,95 6.635,96 55.274,97 8.621,98 0.274,99 0.794,100 22.274,101 6.391,102 36.636,103 7.728,104 27,105 30,106 0.309,107 0.627,108 0.746,109 0.823,110 0.823,111 0.823,112 3.103,113 0.96,114 -5.33,115 -5.21,116 -4.87,118 43.2,119 2,121 2,131 7,132 1,133 1,136 2,142 1,154 10,157 3,159 2,161 2,162 13,166 3,170 3,171 10,174 1,175 6,179 5,181 8,185 5,188 2,190 8,194 5,198 8,201 3,205 1,207 10,215 6,219 1,221 3,224 593,225 13.637,226 13.637,227 13.637,228 13.637,229 13.637,230 11.98,231 14.502,232 8.063,233 13.941,234 10.834,235 10.834,236 10.834,237 10.834,238 10.834,239 8.415,240 18.818,241 3.814,242 11.398,243 3.514,244 1.765,245 1.112,246 0.689,247 0.689,248 0.689,249 3.757,250 1,253 1,254 367,255 3.464,259 154.422,261 1.311,262 26.137,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 45.833,274 179,275 4.291,276 3.818,277 6.686,278 4.091,279 3.09,280 3.747,281 1.987,282 10.663,283 3.09,284 4.041,285 2.991,286 5.554,287 3.583,288 2.652,289 3.645,290 0.324,291 7.573,292 2.468,293 3.786,294 2.934,295 5.212,296 3.342,297 2.414,298 3.139,300 6.421,301 2.227,302 3.373,303 2.725,304 4.9,305 2.989,306 2.055,307 2.623,309 5.608,310 1.908,311 3.148,312 2.294,313 4.739,314 2.762,315 1.812,316 2.348,318 5.008,319 1.653,320 2.914,321 1.934,322 4.479,323 2.633,324 1.642,325 1.934,326 4.199,327 1.588,328 2.655,329 1.275,330 3.483,331 2.151,332 1.18,333 1.72,334 2.587,335 1.139,336 2.5,337 1,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 1.548,345 0.925,346 3.187,347 1.301,348 0.342,349 0.39,350 0.875,351 0.31,352 1.185,353 0.489,354 2.598,355 0.77,356 -0.198,357 -0.252,358 -0.481,359 -0.169,360 0.892,361 0.21,362 2,363 0.449,364 -0.414,365 -0.512,366 -0.943,367 -0.332,368 0.879,369 0.176,370 2,371 0.42,372 -0.476,373 -0.603,374 -1.124,375 -0.393,376 0.5,377 -0.575,378 2,380 -1,381 -1,383 -2,384 -0.988,385 0.471,386 -0.891,387 1.734,389 -1,390 -1.427,392 -2.585,393 -1,395 -1,396 1.561,397 -0.004,398 -1,399 -1.5,401 -3,402 -1,403 10.133,404 0.483,405 0.617,406 0.029,407 26.75,408 1.274,409 14,410 0.667,411 12.75,412 0.607,413 16.632,414 0.792,415 22.867,416 0.618,417 18.582,418 0.885,419 5.196,420 0.247,421 4.773,422 0.227,423 0.23,425 0.345,428 1,429 0.572,430 1.073,431 0.605,432 0.954,433 0.548,434 0.915,435 0.445,436 0.942,437 0.632,438 0.969,439 0.485,440 0.963,441 0.941,442 1.027,443 0.97,444 1.044,445 0.914,446 1.04,447 0.792,448 0.891,449 0.791,450 0.969,451 0.82,452 0.933,453 1.407,454 0.878,455 0.911,456 0.891,457 1.579,458 1.036,459 0.632,460 0.83,461 0.76,462 0.899,463 0.654,464 0.932,465 0.797,466 0.871,467 0.985,468 0.934,469 0.727,470 0.959,471 1.262,472 1.269,473 1.841,474 1.438,475 1.034,476 1.311,477 5,478 0.054,479 2.222,480 2,481 1.124,482 0.743,483 0.548,484 0.222,485 0.172,486 0.072,487 3890,488 13623,489 1.941,490 43.2,491 7,492 7,495 1,496 1,499 1.635,500 1.775,501 3.073,502 -0.291,504 1,507 62.75,508 1.696,509 3.445,510 4.097,511 4.52,512 4.52,513 4.52,514 2.529,515 3.975,516 4.365,517 3.217,518 675.612,519 7.496,520 7180.9,522 1,524 1,525 192.75,526 1.545,527 4.294,528 0.227,529 0.013,530 0.074,531 0.067,532 0.039,533 0.03,534 0.023,535 0.011,536 0.011,537 0.009,538 0.504,539 0.5,540 1,541 0.911,542 94.377,543 -0.03,544 -0.059,545 0.007,546 -0.006,547 -0.05,548 0.01,549 0.2,550 0.026,551 0.089,552 -0.02,553 0.128,554 -0.014,555 -0.104,556 -0.109,557 -0.085,558 -0.093,559 -0.082,560 -0.085,561 0.077,562 -0.033,563 0.059,564 -0.035,565 0.092,566 0.038,567 -0.29,568 0.03,569 -0.204,570 -0.013,571 -0.276,572 -0.145,573 0.124,574 -0.051,575 0.107,576 0.05,577 0.141,578 0.071,579 0.047,580 0.027,581 0.077,582 0.036,583 0.018,584 0.029,585 -0.159,586 -0.231,587 -0.391,588 -0.352,589 -0.077,590 -0.28,591 2.291,592 5.444,593 0.571,594 14.726,595 1.012,596 1.13,597 4.096,598 16.779,599 0.685,600 3.135,601 3.434,602 3.611,603 3.829,604 3.912,605 3.871,606 3.871,607 3.761,608 3.555,609 3.555,610 5.184,611 0.654,612 306.79,613 3.135,614 4.654,615 5.468,616 6.33,617 7.16,618 8.026,619 8.863,620 9.73,621 10.571,622 11.438,623 5.4,628 1,631 1,633 7,634 1,638 4,639 12,648 2,649 37,650 13,651 1,652 22,654 38,655 16,656 11,657 2,658 4,660 2,661 2,662 1,663 2,671 12,672 4,673 2,674 1,677 1,680 1,682 1,683 1,684 16,685 4,686 1,687 5,688 1,691 2,692 1,693 1,699 1,704 2,709 1,717 2,721 2,722 1,723 1,724 21,730 1,733 2,740 2,741 2.7,744 1,747 11.833,748 7.152,749 4.667,750 2.227,751 1.964,752 1.319,753 0.939,754 5.053,755 8.13,756 3.401,757 3.951,758 4.401,759 4.916,760 5.342,761 5.298,762 5.426,763 5.562,764 5.433,765 5.799,766 0.833,767 30,768 7.771,770 3.266,771 8.053,772 14.404,774 11.426,776 2.553,777 53.611,781 176.567,782 106.395,783 34.796,784 39.149,785 25.145,786 14.96,788 106.395,789 240.86,790 49.756,791 17.65,792 18.011,793 66.334,794 46.635,795 21.646,796 11.02,797 176.567,798 39.149,799 176.567,800 141.191,801 40.105,802 39.149,804 176.567,805 25.145,806 14.96,807 35.661,808 88.745,809 55.934,811 191.527,812 59.941,813 145.544,815 176.567,816 22.411,817 83.984,818 18.011,819 96.039,820 176.567,821 74.901,822 145.544,823 0.581,824 0.324,825 0.174,826 0.087,827 13,828 7,829 0.105,830 4,832 1,833 3.226,834 152.137,836 12,837 86.239,840 15.619,841 6.794,842 4.1,844 74.901,845 11.441,846 3.643,850 1.066,851 18.011,852 397.012,853 29,856 12.444,859 -0.217,860 37.436,861 41.811,862 0.326,863 0.661,864 0.786,865 0.868,866 0.868,867 0.868,868 4.615,869 1,870 5.46,871 2.587,872 4.111,873 4.635,874 2.076,875 6.232,876 4.023,877 5.813,878 0.342,879 7.002,880 2.275,881 3.761,882 4.369,883 1.593,884 7.106,885 3.598,886 7.099,887 -0.198,888 8.644,889 0.875,890 5.666,891 6.721,892 3.1,893 10.17,894 5.521,895 8.414,896 -0.414,897 10.344,898 -0.481,899 6.066,900 7.144,901 3.168,902 11.901,903 5.885,904 9.753,905 -0.476,906 12.083,907 -0.943,908 7.499,909 9.045,910 4.312,911 14.509,912 7.331,913 11.111,914 -1,915 13.853,916 -1.124,917 8.26,918 9.808,919 4.654,920 16.617,921 8.089,922 12.483,923 -1,924 15.647,925 -2,926 9.498,927 11.489,928 5.601,929 19.066,930 9.336,931 3.09,932 -1,933 17.461,934 -2.585,935 10.439,936 12.446,937 6.091,938 21.331,939 10.289,940 2.652,941 10.663,942 19.29,943 -3,944 11.596,945 13.997,946 6.927,947 23.725,948 11.455,949 2.414,950 7.573,951 21.134,952 3.747,953 12.626,954 15.075,955 7.5,956 26.052,957 12.501,958 2.055,959 6.421,960 22.988,961 3.645,962 13.753,963 16.543,964 8.273,965 28.427,966 13.636,967 1.812,968 5.608,969 24.851,970 3.139,971 14.827,972 17.7,973 8.894,974 30.777,975 14.725,976 1.642,977 5.008,978 26.722,979 2.623,980 15.944,981 19.114,982 9.631,983 33.146,984 15.851,985 1.18,986 4.199,987 28.598,988 2.348,989 17.041,990 20.323,991 10.279,992 35.506,993 16.959,994 3986,995 7572,996 13.929,997 25.353,998 32.785,999 33.837,1000 34.218,1001 32.605,1002 32.376,1003 42.092,1004 4.622,1005 90.417,1006 30.763,1007 5.173,1008 5.818,1009 6.242,1010 5.135,1011 5.09,1012 6.747,1013 3.497,1014 17.397,1015 5.09,1016 12.333,1017 1.49,1018 1.538,1019 1.555,1020 1.482,1021 1.472,1022 1.913,1023 0.21,1024 4.11,1025 1.398,1026 3.98,1027 4.01,1028 4.015,1029 3.911,1030 8.203,1031 3.905,1032 3.857,1033 3.896,1034 3.844,1035 3.735,1036 7.428,1037 3.748,1038 3.642,1039 3.691,1040 3.635,1041 3.533,1042 4.939,1043 3.52,1044 3.315,1045 3.367,1046 3.223,1047 3.083,1048 4.781,1049 3.101,1050 2.93,1051 3.009,1052 3.186,1053 2.803,1054 4.353,1055 2.798,1056 2.874,1057 2.98,1058 2.812,1059 2.735,1060 4.125,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.622,1066 3.917,1067 2.642,1068 2.829,1069 2.89,1070 2.632,1071 2.618,1072 3.674,1073 2.57,1074 0.195,1075 0.174,1076 0.304,1077 0.186,1078 0.14,1079 4.291,1080 0.17,1081 3.818,1082 0.09,1083 6.686,1084 0.485,1085 4.091,1086 0.14,1087 3.09,1088 3.747,1089 1.987,1090 10.663,1091 3.09,1092 1.944,1093 1.92,1094 2.061,1095 2.041,1096 1.319,1097 2.048,1098 1.806,1099 1.769,1100 1.906,1101 1.95,1102 0.999,1103 1.941,1104 1.647,1105 1.598,1106 1.867,1107 1.791,1108 0.92,1109 1.823,1110 1.225,1111 1.176,1112 1.417,1113 1.495,1114 0.521,1115 1.47,1116 0.934,1117 0.841,1118 1.407,1119 1.239,1120 0.469,1121 1.308,1122 0.888,1123 0.821,1124 1.181,1125 1.074,1126 0.218,1127 1.107,1128 0.886,1129 0.804,1130 1.094,1131 1.062,1132 0.178,1133 1.089,1134 0.728,1135 0.68,1136 0.929,1137 0.995,1139 0.974,1140 3.807,1142 5.106,1144 6.592,1146 8.163,1148 9.777,1150 3.912,1151 5.87,1152 13.068,1156 2.654,1159 -0.271,1164 24.183,1165 62.75,1166 127.447,1167 151.589,1168 167.24,1169 167.24,1170 167.24,1171 48.531,1172 6.165,1173 41.99,1174 41.99,1175 12,1176 11.988,1177 3.807,1178 3,1179 39.106,1180 63,1181 65,1182 0.301,1183 156.085,1184 272.43,1185 372.608,1186 3026,1187 5.4,1188 15.405,1189 0.734,1190 0.598,1191 15.035,1192 12.563,1193 9.969,1194 0.453,1195 0.32,1196 6.619,1197 9.353,1198 6.365,1199 5.344,1200 9.864,1201 7.038,1202 9.192,1203 0.306,1204 0.185,1205 8.967,1206 5.544,1207 6.782,1208 0.188,1209 0.094,1210 6.75,1211 3.397,1212 5.793,1213 0.129,1214 0.051,1215 5.609,1216 2.317,1217 3.978,1218 0.081,1219 0.028,1220 4.059,1221 1.382,1222 0.461,1223 65.251,1224 0.268,1225 20.69,1226 0.859,1227 104,1228 372.028,1229 129.921,1230 366.695,1231 472.18,1232 338,1233 118,1234 309.903,1235 136.492,1236 318.818,1237 460.66,1238 299,1239 5.959}
{0 CHEMBL594758,1 1.73,2 9.091,3 4.354,4 18.958,5 95.652,6 8.658,7 0.478,8 3.775,9 3.882,10 3.562,11 3.462,12 4.85,13 3.351,14 4.295,15 4.461,16 4.025,17 3.862,18 5.312,19 3.717,20 4.51,21 4.665,22 3.92,23 3.966,24 5.556,25 3.815,26 4.77,27 5.028,28 3.922,29 3.96,30 5.799,31 3.813,32 4.67,33 4.871,34 3.796,35 3.902,36 5.838,37 3.774,38 4.649,39 4.9,40 3.903,41 3.918,42 5.588,43 3.715,44 4.493,45 4.726,46 3.891,47 3.838,48 5.531,49 3.61,50 4.174,51 4.331,52 3.503,53 3.625,54 5.209,55 3.353,56 0.012,57 0.567,58 7.964,59 4.142,60 5.905,61 5.129,62 0.174,63 0.955,64 23.36,65 8.205,66 21.078,67 9.332,68 0.124,69 1.098,70 23.281,71 9.095,72 27.326,73 11,74 0.283,75 1.346,76 36.875,77 12.307,78 46.445,79 15.204,80 0.385,81 1.263,82 25.748,83 9.159,84 67.865,85 10.465,86 0.243,87 1.221,88 30.452,89 10.944,90 38.966,91 13.283,92 0.366,93 1.103,94 38.527,95 11.223,96 43.126,97 11.698,98 0.239,99 0.697,100 28.413,101 7.878,102 34.001,103 8.513,104 41,105 33,106 0.309,107 0.641,108 0.739,109 0.756,110 0.756,111 0.756,112 3.147,113 1.212,114 -5.29,115 -5.17,116 -4.84,118 39,119 3,121 1,122 1,123 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,157 2,159 2,161 2,162 16,166 3,170 2,171 11,174 1,175 7,179 6,181 10,185 4,188 2,190 9,194 6,198 7,201 3,205 1,207 7,215 5,219 1,221 3,224 694,225 14.066,226 14.066,227 14.066,228 14.066,229 14.066,230 12.59,231 15.203,232 8.102,233 14.802,234 11.276,235 11.276,236 11.276,237 11.276,238 11.276,239 9.025,240 19.145,241 3.774,242 12.431,243 3.627,244 1.768,245 1.22,246 1.123,247 1.123,248 1.123,249 3.796,250 1,253 1,254 408,255 4,258 71.37,259 82.054,261 1.207,262 18.893,264 1,265 1,266 1,267 1,268 1,269 1,270 1,271 1,272 1,273 46.333,274 200,275 4.512,276 4.331,277 7.378,278 4.432,279 3.431,280 3.819,281 2.95,282 12.793,283 3.433,284 4.116,285 3.903,286 5.759,287 3.599,288 2.748,289 3.719,290 1.987,291 8.023,292 2.498,293 3.905,294 3.117,295 5.623,296 3.508,297 2.553,298 3.31,299 0.324,300 7.567,301 2.314,302 3.542,303 2.917,304 5.19,305 3.208,306 2.273,307 2.682,309 6.346,310 2.065,311 3.313,312 2.664,313 4.937,314 2.888,315 1.997,316 2.552,318 5.722,319 1.714,320 3.056,321 2.404,322 4.674,323 2.578,324 1.671,325 2.19,326 4.753,327 1.456,328 2.5,329 2.235,330 3.618,331 2,332 1,333 1.5,334 2.275,335 1,336 2.225,337 1.062,338 3.414,339 1.643,340 0.782,341 1.101,342 1.811,343 0.662,344 1.649,345 1,346 3.277,347 1.35,348 0.417,349 0.485,350 1.131,351 0.359,352 1.495,353 0.935,354 2.736,355 1.069,356 0.311,357 0.358,358 0.473,359 0.235,360 0.973,361 0.464,362 2.53,363 0.561,364 -0.323,365 -0.386,366 -0.791,367 -0.233,368 0.903,369 0.291,370 2.409,371 0.437,372 -0.506,373 -0.671,374 -1.219,375 -0.449,376 0.5,377 0.041,378 2,380 -1,381 -1,383 -2.86,384 -0.94,385 0.086,386 -0.713,387 2,389 -1,390 -1,392 -3,393 -1,395 -1,396 2,398 -1,399 -1.41,401 -3,402 -1,403 11.514,404 0.523,405 0.778,406 0.035,407 25.5,408 1.159,409 12.5,410 0.568,411 13,412 0.591,413 23.069,414 1.049,415 23.886,416 0.583,417 15.647,418 0.711,419 4.218,420 0.192,421 6.089,422 0.277,423 0.265,424 0.043,425 0.261,429 0.644,430 1.105,431 0.672,432 0.824,433 0.618,434 0.891,435 0.486,436 0.956,437 0.728,438 0.873,439 0.503,440 0.791,441 1.055,442 1.312,443 1.009,444 1.158,445 1.155,446 1.251,447 0.735,448 0.968,449 0.617,450 0.814,451 0.816,452 0.799,453 2.032,454 0.956,455 0.815,456 0.78,457 2.473,458 1.015,459 0.892,460 0.92,461 0.68,462 0.758,463 0.976,464 0.873,465 0.9,466 0.927,467 1.386,468 1.229,469 0.547,470 0.924,471 1.97,472 1.045,473 2.158,474 1.479,475 1.695,476 1.541,477 6.5,478 0.057,479 2.667,480 2.569,481 1.307,482 0.899,483 0.695,484 0.326,485 0.202,486 0.057,487 4280,488 14023,489 1.908,490 46.3,491 9,492 7,494 1,495 1,496 1,499 1.649,500 1.725,501 3.097,502 -0.265,504 1,507 70.949,508 1.73,509 3.59,510 4.137,511 4.235,512 4.235,513 4.235,514 2.588,515 3.845,516 4.429,517 3.253,518 751.379,519 7.633,520 8189.95,522 1,524 1,525 219.66,526 1.753,527 4.338,528 0.283,529 0.011,530 0.081,531 0.083,532 0.04,533 0.032,534 0.027,535 0.014,536 0.014,537 0.005,538 0.589,539 0.33,540 1,541 1.028,542 100.301,543 -0.028,544 -0.016,545 0.044,546 0.064,547 -0.076,548 0.031,549 0.236,550 0.11,551 0.183,552 0.139,553 0.142,554 0.181,555 -0.122,556 -0.321,557 -0.191,558 -0.277,559 -0.149,560 -0.322,561 0.195,562 -0.064,563 0.144,564 0.033,565 0.233,566 0.163,567 -0.431,568 0.065,569 -0.177,570 -0.013,571 -0.395,572 -0.175,573 0.003,574 0.023,575 0.138,576 0.13,577 -0.051,578 0.09,579 0.085,580 0.161,581 -0.074,582 -0.015,583 0.204,584 0.1,585 -0.514,586 -0.106,587 -0.577,588 -0.34,589 -0.448,590 -0.523,591 1.711,592 5.758,593 0.5,594 15.727,595 0.999,596 1.115,597 4.057,598 16.456,599 0.719,600 3.178,601 3.526,602 3.689,603 3.932,604 3.932,605 3.951,606 4.025,607 3.871,608 3.761,609 3.466,610 5.283,611 0.651,612 354.96,613 3.178,614 4.727,615 5.549,616 6.441,617 7.281,618 8.177,619 9.025,620 9.921,621 10.775,622 11.67,623 4.9,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 41,650 12,651 1,652 23,654 42,655 16,656 9,657 2,658 4,660 2,661 2,662 1,663 3,664 1,671 10,672 6,673 1,674 1,677 1,680 1,682 1,684 19,685 3,686 1,687 6,688 3,691 2,692 1,693 1,703 1,704 1,709 1,717 2,718 1,719 2,721 4,722 1,724 22,730 1,732 1,733 1,735 1,737 1,740 1,741 2.4,744 1,747 12.75,748 8.593,749 4.806,750 2.25,751 1.713,752 1.275,753 0.923,754 5.781,755 7.944,756 3.418,757 3.984,758 4.42,759 4.955,760 5.2,761 5.265,762 5.515,763 5.502,764 5.476,765 5.614,766 1,767 31,768 8.139,770 3.364,771 7.736,772 15.555,774 12.501,776 2.236,777 49.194,780 1,781 211.88,782 156.007,783 34.796,784 39.149,785 25.145,787 63.497,788 92.51,789 276.173,790 34.796,791 33.666,792 18.011,793 37.905,794 58.406,795 16.234,797 263.606,798 39.149,799 211.88,800 127.306,801 25.145,802 102.646,804 211.88,805 25.145,807 54.035,808 56.486,809 55.934,810 63.497,811 211.88,812 59.941,813 195.156,815 211.88,816 75.389,817 80.618,818 18.011,819 81.079,820 211.88,821 59.941,822 195.156,823 0.592,824 0.327,825 0.173,826 0.082,827 15,828 8,829 0.119,830 5,832 1,833 3.255,834 165.273,836 11,837 89.353,838 2,840 17.611,841 7.221,842 4.627,844 59.941,845 9.232,846 4.244,849 1.486,850 3.337,851 18.011,852 466.977,853 29.5,856 12.758,859 -0.045,860 40.96,861 45.727,862 0.323,863 0.67,864 0.772,865 0.79,866 0.79,867 0.79,868 4.67,869 0.782,870 5.602,871 2.275,872 4.205,873 4.668,874 3.234,875 6.46,876 4.058,877 5.903,878 0.417,879 7.204,880 1.811,881 4.111,882 4.575,883 1.593,884 7.716,885 3.956,886 7.229,887 0.311,888 8.92,889 1.131,890 5.905,891 6.788,892 5.157,893 10.731,894 5.702,895 8.586,896 -0.323,897 10.707,898 0.473,899 6.567,900 7.393,901 3.168,902 12.811,903 6.394,904 9.969,905 -0.506,906 12.543,907 -0.791,908 7.943,909 9.15,910 7.239,911 15.484,912 7.756,913 11.37,914 -1,915 14.414,916 -1.219,917 8.921,918 10.075,919 4.654,920 17.873,921 8.774,922 12.786,923 -1,924 16.314,925 -2.86,926 10.172,927 11.634,928 9.371,929 20.457,930 10.03,931 3.431,932 -1,933 18.236,934 -3,935 11.289,936 12.728,937 6.091,938 22.953,939 11.179,940 2.748,941 12.793,942 20.176,943 -3,944 12.507,945 14.185,946 11.521,947 25.512,948 12.41,949 2.553,950 8.023,951 22.129,952 3.819,953 13.684,954 15.374,955 7.5,956 28.043,957 13.61,958 2.273,959 7.567,960 24.093,961 3.719,962 14.899,963 16.776,964 13.679,965 30.595,966 14.838,967 1.997,968 6.346,969 26.065,970 3.31,971 16.103,972 18.02,973 8.894,974 33.137,975 16.057,976 1.671,977 5.722,978 28.043,979 2.682,980 17.322,981 19.39,982 15.84,983 35.687,984 17.286,985 1,986 4.753,987 30.027,988 2.552,989 18.54,990 20.666,991 10.279,992 38.234,993 18.514,994 4424,995 8136,996 14.216,997 29.472,998 34.973,999 38.683,1000 36.086,1001 34.288,1002 34.365,1003 43.432,1004 10.522,1005 101.788,1006 31.473,1007 5.406,1008 6.331,1009 6.934,1010 5.564,1011 5.431,1012 6.819,1013 5.9,1014 20.42,1015 5.433,1016 13.862,1017 1.521,1018 1.682,1019 1.569,1020 1.491,1021 1.494,1022 1.888,1023 0.457,1024 4.426,1025 1.368,1026 3.986,1027 4.013,1028 4.305,1029 3.93,1030 7.428,1031 3.916,1032 3.807,1033 3.824,1034 4.011,1035 3.833,1036 4.94,1037 3.734,1038 3.688,1039 3.734,1040 3.703,1041 3.603,1042 4.833,1043 3.584,1044 3.329,1045 3.369,1046 3.513,1047 3.163,1048 4.387,1049 3.136,1050 3.136,1051 3.214,1052 3.278,1053 3.026,1054 4.199,1055 2.948,1056 2.874,1057 3.009,1058 3.137,1059 2.735,1060 3.919,1061 2.715,1062 2.874,1063 3.009,1064 2.687,1065 2.713,1066 3.708,1067 2.713,1068 2.854,1069 2.925,1070 2.597,1071 2.618,1072 3.674,1073 2.57,1074 0.196,1075 0.188,1076 0.321,1077 0.193,1078 0.149,1079 4.512,1080 0.166,1081 4.331,1082 0.128,1083 7.378,1084 0.556,1085 4.432,1086 0.149,1087 3.431,1088 3.819,1089 2.95,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.708,1099 1.665,1100 1.898,1101 1.834,1102 1.021,1103 1.863,1104 1.435,1105 1.443,1106 1.545,1107 1.639,1108 0.76,1109 1.608,1110 1.376,1111 1.325,1112 1.472,1113 1.495,1114 0.56,1115 1.577,1116 1.084,1117 1.026,1118 1.417,1119 1.324,1120 0.469,1121 1.341,1122 1.01,1123 0.962,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.325,1131 1.239,1132 0.435,1133 1.308,1134 0.934,1135 0.804,1136 1.181,1137 1.098,1138 0.293,1139 1.16,1140 3.85,1142 5.187,1143 2.398,1144 6.696,1145 4.595,1146 8.285,1147 6.555,1148 9.92,1150 8.161,1151 5.947,1156 2.939,1158 1.619,1159 -0.272,1161 -0.211,1164 26.701,1165 70.949,1166 147.189,1167 169.621,1168 173.621,1169 173.621,1170 173.621,1171 48.828,1172 6.23,1173 41.99,1174 95.53,1175 11,1176 12.204,1177 3.7,1178 2.907,1179 42.025,1180 66,1181 80,1182 0.306,1183 180.076,1184 306.02,1185 431.146,1186 3169,1187 2.4,1188 16.328,1189 0.742,1190 0.7,1191 17.535,1192 15.403,1193 10.308,1194 0.448,1195 0.404,1196 7.034,1197 8.938,1198 6.411,1199 5.439,1200 11.562,1201 9.291,1202 10.078,1203 0.305,1204 0.261,1205 11.747,1206 8.602,1207 7.114,1208 0.182,1209 0.14,1210 8.755,1211 5.465,1212 6.106,1213 0.122,1214 0.074,1215 7.47,1216 3.696,1217 3.935,1218 0.079,1219 0.044,1220 5.082,1221 2.191,1222 0.467,1223 76.122,1224 0.265,1225 21.476,1226 0.879,1227 112,1228 313.638,1229 184.821,1230 379.831,1231 497.64,1232 352,1233 128,1234 302.675,1235 177.544,1236 349.814,1237 505.3,1238 323,1239 6.301}
{0 CHEMBL594760,1 1.901,2 7.875,3 2.311,4 5.341,5 65.293,6 10.11,7 0.647,8 3.333,9 3.42,10 3.221,11 3.034,12 4.537,13 2.971,14 3.777,15 3.893,16 3.585,17 3.356,18 5.014,19 3.27,20 3.934,21 4.1,22 3.333,23 3.3,24 5.114,25 3.181,26 3.831,27 4.028,28 3.261,29 3.125,30 5.063,31 3.014,32 3.705,33 3.902,34 3.102,35 2.962,36 4.993,37 2.883,38 3.526,39 3.684,40 3.002,41 2.894,42 4.77,43 2.77,44 3.327,45 3.509,46 3.098,47 2.796,48 4.627,49 2.657,50 3.065,51 3.209,52 2.592,53 2.622,54 4.122,55 2.438,56 0.048,57 0.347,58 2.626,59 2.037,60 4.507,61 2.204,62 0.149,63 0.562,64 7.014,65 3.555,66 11.529,67 3.884,68 0.238,69 0.585,70 13.345,71 4.747,72 30.209,73 4.69,74 0.22,75 0.519,76 12.459,77 4.395,78 22.557,79 4.964,80 0.197,81 0.48,82 11.263,83 3.999,84 23.823,85 3.85,86 0.202,87 0.374,88 8.767,89 3.069,90 29.011,91 2.811,92 0.193,93 0.337,94 9.833,95 3.085,96 20.968,97 3.048,98 0.071,99 0.256,100 6.595,101 2.275,102 5.636,103 2.242,104 5,105 22,106 0.378,107 0.721,108 0.813,109 0.845,110 0.845,111 0.845,112 2.85,113 1.047,114 -3.73,115 -3.7,116 -3.52,118 44,120 1,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 5,157 2,159 2,161 2,162 8,166 1,170 1,171 6,174 1,175 4,179 2,181 2,185 3,188 2,190 2,194 2,198 2,201 3,205 1,207 2,219 1,221 1,224 258,225 10.723,226 10.723,227 10.723,228 10.723,229 10.723,230 9.171,231 12.017,232 6.571,233 11.186,234 8.416,235 8.416,236 8.416,237 8.416,238 8.416,239 6.183,240 15.369,241 3.183,242 9.216,243 2.743,244 1.02,245 0.56,246 0.4,247 0.4,248 0.4,249 3.501,250 1,253 1,254 264,255 2.55,258 48.256,259 55.433,261 1.266,262 14.857,265 1,266 1,267 1,268 0.4,270 1,271 1,272 0.77,273 34.333,274 126,275 4.065,276 3.628,277 5.59,278 3.689,279 2.721,280 3.634,281 1.987,282 7.698,283 2.653,284 3.944,285 2.945,286 5.376,287 3.443,288 2.549,289 3.501,290 0.324,291 7.07,292 2.281,293 3.579,294 2.584,295 4.961,296 3.118,297 2.208,298 2.865,300 5.895,301 1.946,302 3.253,303 2.453,304 4.589,305 2.787,306 1.835,307 2.468,309 4.878,310 1.659,311 2.569,312 1.318,313 3.414,314 2.059,315 1.135,316 1.582,318 2.495,319 1.031,320 2.5,321 1,322 3.391,323 2,324 1,325 1.5,326 2.275,327 1,328 2.118,329 0.893,330 3,331 1.416,332 0.618,333 0.927,334 1.372,335 0.486,336 1.41,337 0.618,338 2.795,339 1.065,340 0.143,341 0.17,342 0.338,343 0.117,344 0.971,345 0.399,346 2.165,347 0.551,348 -0.377,349 -0.458,350 -0.963,351 -0.31,352 0.687,353 0.029,354 2,355 0.259,356 -0.692,357 -0.924,358 -1.632,359 -0.586,360 0.5,361 -0.71,362 1.672,364 -1,365 -1.5,366 -3,367 -1,368 0.006,369 -1,370 1.184,371 -0.433,372 -1.315,373 -1.675,374 -3.036,375 -1.134,376 -0.105,377 -1.161,378 1.092,379 -0.605,380 -1.438,381 -1.829,383 -3.265,384 -1.229,385 -0.118,386 -1.471,387 1,388 -0.793,389 -1.618,390 -2.24,392 -4.372,393 -1.351,394 -0.5,395 -1.618,396 0.799,397 -0.865,398 -1.79,399 -2.427,401 -4.752,402 -1.687,403 8.181,404 0.511,405 0.349,406 0.022,407 22,408 1.375,409 12,410 0.75,411 10,412 0.625,413 9.805,414 0.613,415 16.419,416 0.657,417 12.177,418 0.761,419 4.326,420 0.27,421 3.411,422 0.213,423 0.128,425 0.244,429 0.659,430 1.07,431 0.59,432 0.733,433 0.55,434 0.742,435 0.533,436 1.169,437 0.778,438 1.05,439 0.581,440 0.983,441 1.368,442 1.062,443 1.172,444 1.069,445 1.382,446 1.157,447 0.873,448 0.998,449 0.832,450 0.981,451 0.94,452 1.029,453 1.395,454 0.948,455 0.808,456 0.885,457 1.574,458 0.813,459 1.81,460 0.915,461 1.216,462 0.889,463 2.05,464 1.054,465 0.407,466 0.833,467 1.057,468 1.104,469 0.283,470 0.797,471 0.855,472 1.159,473 1.634,474 1.512,475 0.52,476 1.419,477 3.5,478 0.02,479 1.111,480 0.847,481 0.537,482 0.334,483 0.208,484 0.047,485 0.079,486 0.047,487 2138,488 8285,489 2.03,490 36,492 4,493 1,494 1,495 1,496 2,499 1.544,500 1.92,501 3.006,502 -0.168,506 1,507 47.513,508 1.901,509 3.623,510 4.084,511 4.244,512 4.244,513 4.244,514 2.483,515 3.203,516 3.974,517 3.117,518 374.08,519 6.658,520 3308.98,522 1,524 1,525 116.096,526 1.299,527 3.94,528 0.206,529 0.01,530 0.051,531 0.05,532 0.036,533 0.024,534 0.019,535 0.004,536 0.011,537 0.012,538 0.422,539 0.83,540 1,541 0.625,542 65.782,543 -0.072,544 -0.041,545 0.015,546 0.055,547 -0.056,548 0.033,549 0.181,550 -0.141,551 -0.004,552 -0.156,553 0.049,554 -0.138,555 -0.302,556 -0.119,557 -0.261,558 -0.165,559 -0.244,560 -0.231,561 0.112,562 -0.095,563 0.042,564 -0.084,565 0.111,566 -0.031,567 -0.195,568 0.035,569 0.017,570 0.089,571 -0.059,572 0.166,573 -0.463,574 0.023,575 -0.235,576 0.048,577 -0.461,578 -0.135,579 0.44,580 0.22,581 0.148,582 0.086,583 0.406,584 0.258,585 -0.22,586 -0.148,587 -0.461,588 -0.389,589 -0.164,590 -0.438,591 1.739,592 4.587,593 0.688,594 9.875,595 1.019,596 1.109,597 2.504,598 6.272,599 0.761,600 2.89,601 3.135,602 3.258,603 3.434,604 3.434,605 3.296,606 3.296,607 3.135,608 3.135,609 3.045,610 4.791,611 0.715,612 252.74,613 2.89,614 4.369,615 5.153,616 5.979,617 6.777,618 7.602,619 8.405,620 9.23,621 10.036,622 10.859,623 8,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 25,650 12,651 1,652 17,654 26,655 11,656 9,657 2,658 4,660 2,661 2,662 1,669 1,671 10,672 1,674 1,677 1,680 1,682 1,684 9,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,722 1,724 16,729 1,730 1,737 1,740 1,741 4,744 1,747 8.333,748 4.426,749 3.583,750 1.333,751 1.835,752 1.324,753 0.978,754 3.776,755 7.501,756 3.199,757 3.732,758 4.153,759 4.653,760 4.869,761 4.761,762 4.925,763 4.9,764 5.062,765 5.364,766 1,767 17,768 5.862,770 2.405,771 7.913,772 10.977,774 8.56,776 2.413,777 38.611,778 0.002,781 94.169,782 100.305,783 34.796,784 39.149,785 25.145,787 31.278,788 69.028,789 158.462,790 34.796,792 20.545,793 45.554,794 58.406,795 16.234,796 11.771,797 101.904,798 39.149,799 94.169,800 103.824,801 25.145,802 70.426,804 94.169,805 25.145,807 30.093,808 56.945,809 55.934,810 31.278,811 94.169,812 59.941,813 139.454,815 94.169,816 45.704,817 54.601,818 18.011,819 81.079,820 94.169,821 59.941,822 139.454,823 0.567,824 0.304,825 0.158,826 0.076,827 10,828 4,829 0.115,830 3,832 1,833 2.964,834 98.372,836 11,837 60,838 1,840 11.396,841 5.302,842 3.472,844 59.941,845 10.69,846 3.977,849 1.4,850 2.224,851 18.011,852 293.564,853 23.5,856 11.587,859 -0.072,860 25.465,861 27.731,862 0.409,863 0.78,864 0.879,865 0.914,866 0.914,867 0.914,868 4.366,869 0.143,870 5.094,871 1.372,872 3.807,873 4.413,874 2.076,875 5.759,876 3.651,877 5.542,878 -0.377,879 6.558,880 0.338,881 3.219,882 3.98,883 1.593,884 6.293,885 2.959,886 6.803,887 -0.692,888 8.109,889 -0.963,890 5.263,891 6.482,892 3.1,893 9.294,894 4.988,895 8.094,896 -1,897 9.706,898 -1.632,899 5.442,900 6.824,901 3.168,902 10.587,903 5.061,904 9.409,905 -1.315,906 11.332,907 -3,908 6.936,909 8.762,910 4.312,911 13.054,912 6.567,913 10.739,914 -1.438,915 12.975,916 -3.036,917 7.484,918 9.481,919 4.654,920 14.687,921 7.026,922 12.081,923 -1.618,924 14.632,925 -3.265,926 8.726,927 11.15,928 5.601,929 16.931,930 8.281,931 2.721,932 -1.79,933 16.297,934 -4.372,935 9.467,936 12.079,937 6.091,938 18.74,939 8.955,940 2.549,941 7.698,942 17.969,943 -4.752,944 10.584,945 13.601,946 6.927,947 20.876,948 10.078,949 2.208,950 7.07,951 19.646,952 3.634,953 11.432,954 14.655,955 7.5,956 22.781,957 10.877,958 1.835,959 5.895,960 21.327,961 3.501,962 12.485,963 16.091,964 8.273,965 24.863,966 11.928,967 1.135,968 4.878,969 23.012,970 2.865,971 13.392,972 17.221,973 8.894,974 26.821,975 12.799,976 1,977 2.495,978 24.699,979 2.468,980 14.412,981 18.603,982 9.631,983 28.876,984 13.812,985 0.618,986 2.275,987 26.39,988 1.582,989 15.353,990 19.784,991 10.279,992 30.864,993 14.725,994 2150,995 4319,996 11.326,997 19.017,998 24.758,999 25.198,1000 24.821,1001 24.471,1002 24.421,1003 33.293,1004 4.622,1005 64.045,1006 22.345,1007 4.934,1008 5.628,1009 5.205,1010 4.779,1011 4.721,1012 6.634,1013 3.497,1014 13.426,1015 4.653,1016 6.53,1017 1.456,1018 1.482,1019 1.46,1020 1.439,1021 1.437,1022 1.958,1023 0.272,1024 3.767,1025 1.314,1026 3.939,1027 3.964,1028 4.204,1029 3.883,1030 7.429,1031 3.871,1032 3.797,1033 3.824,1034 3.995,1035 3.78,1036 4.939,1037 3.7,1038 3.436,1039 3.464,1040 3.523,1041 3.267,1042 4.861,1043 3.276,1044 2.895,1045 2.948,1046 3.174,1047 2.735,1048 4.321,1049 2.74,1050 2.854,1051 2.925,1052 2.687,1053 2.734,1054 3.804,1055 2.715,1056 2.515,1057 2.579,1058 2.603,1059 2.353,1060 3.674,1061 2.32,1062 2.19,1063 2.271,1064 2.484,1065 2.098,1066 3.378,1067 1.984,1068 2.172,1069 2.221,1070 2.228,1071 1.854,1072 3.263,1073 1.869,1074 0.239,1075 0.213,1076 0.329,1077 0.217,1078 0.16,1079 4.065,1080 0.214,1081 3.628,1082 0.117,1083 5.59,1084 0.453,1085 3.689,1086 0.156,1087 2.721,1088 3.634,1089 1.987,1090 7.698,1091 2.653,1092 1.911,1093 1.889,1094 2.012,1095 1.991,1096 1.163,1097 2.004,1098 1.466,1099 1.439,1100 1.582,1101 1.697,1102 0.712,1103 1.669,1104 1.356,1105 1.324,1106 1.482,1107 1.494,1108 0.57,1109 1.516,1110 1.141,1111 1.112,1112 1.181,1113 1.248,1114 0.317,1115 1.303,1116 0.886,1117 0.821,1118 1.16,1119 1.062,1120 0.218,1121 1.107,1122 0.681,1123 0.669,1124 0.795,1125 0.862,1127 0.871,1128 0.266,1129 0.153,1130 0.622,1131 0.598,1133 0.653,1136 0.381,1137 0.326,1139 0.297,1140 3.555,1142 4.812,1143 2.398,1144 6.232,1145 4.443,1146 7.726,1147 6.26,1148 9.259,1151 5.754,1155 0.33,1156 2.72,1164 17.879,1165 47.513,1166 90.587,1167 102.096,1168 106.096,1169 106.096,1170 106.096,1171 21.896,1172 5.666,1173 41.99,1174 70.23,1175 11,1176 11.441,1177 3.7,1178 2.907,1179 26.159,1180 46,1181 40,1182 0.283,1183 120.984,1184 201.01,1185 286.96,1186 1690,1187 4,1188 11.38,1189 0.711,1190 0.618,1191 12.234,1192 9.885,1193 7.737,1194 0.455,1195 0.349,1196 4.737,1197 6.753,1198 4.518,1199 3.743,1200 8.48,1201 5.934,1202 6.853,1203 0.311,1204 0.205,1205 7.871,1206 4.52,1207 5.082,1208 0.203,1209 0.116,1210 5.987,1211 2.897,1212 4.045,1213 0.135,1214 0.064,1215 4.846,1216 1.907,1217 2.722,1218 0.091,1219 0.035,1220 3.236,1221 1.064,1222 0.444,1223 55.579,1224 0.297,1225 16.561,1226 0.768,1227 78,1228 262.777,1229 122.959,1230 306.345,1231 396.81,1232 284,1233 86,1234 241.617,1235 117.898,1236 269.184,1237 384.79,1238 252,1239 4}
{0 CHEMBL594761,1 1.84,2 7.765,3 2.774,4 7.693,5 69.867,6 9.527,7 0.611,8 3.431,9 3.526,10 3.267,11 3.115,12 4.604,13 3.047,14 3.899,15 4.032,16 3.644,17 3.457,18 5.073,19 3.367,20 4.089,21 4.263,22 3.487,23 3.457,24 5.254,25 3.347,26 4.08,27 4.264,28 3.408,29 3.362,30 5.327,31 3.255,32 4.05,33 4.281,34 3.32,35 3.28,36 5.196,37 3.154,38 3.884,39 4.087,40 3.255,41 3.206,42 5.019,43 3.043,44 3.616,45 3.792,46 3.16,47 3.023,48 4.856,49 2.838,50 3.287,51 3.512,52 2.595,53 2.683,54 4.215,55 2.474,56 0.037,57 0.389,58 3.8,59 2.43,60 4.531,61 2.8,62 0.15,63 0.631,64 9.629,65 4.254,66 15.005,67 4.999,68 0.199,69 0.682,70 15.806,71 5.618,72 27.383,73 6.203,74 0.285,75 0.669,76 14.303,77 5.172,78 35.989,79 5.672,80 0.2,81 0.664,82 15.305,83 5.711,84 29.14,85 6.555,86 0.24,87 0.57,88 16.28,89 5.146,90 33.242,91 5.091,92 0.238,93 0.414,94 14.814,95 4.073,96 26.034,97 4.295,98 0.091,99 0.311,100 9.995,101 3.106,102 9.847,103 3.484,104 10,105 24,106 0.357,107 0.715,108 0.817,109 0.845,110 0.845,111 0.845,112 2.907,113 1.064,114 -4.01,115 -3.96,116 -3.75,118 42.9,119 1,121 1,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 6,157 2,159 2,161 2,162 9,166 2,170 2,171 8,174 1,175 4,179 2,181 4,185 4,188 2,190 3,194 2,198 3,201 3,205 1,207 2,219 1,221 1,224 319,225 11.276,226 11.276,227 11.276,228 11.276,229 11.276,230 9.773,231 12.875,232 6.737,233 11.742,234 8.851,235 8.851,236 8.851,237 8.851,238 8.851,239 6.649,240 16.869,241 3.207,242 9.653,243 2.967,244 1.125,245 0.598,246 0.456,247 0.456,248 0.456,249 3.554,250 1,253 1,254 275,255 2.915,258 52.22,259 59.623,261 1.308,262 15.783,265 1,266 1,267 1,268 0.6,269 0.5,270 1,271 1,272 0.87,273 36.333,274 132,275 4.215,276 3.778,277 6.341,278 3.953,279 2.958,280 3.713,281 1.987,282 9.438,283 2.946,284 3.945,285 2.96,286 5.449,287 3.443,288 2.556,289 3.501,290 0.324,291 7.226,292 2.287,293 3.702,294 2.683,295 5.111,296 3.221,297 2.329,298 3.042,300 6.19,301 2.019,302 3.253,303 2.511,304 4.796,305 2.787,306 1.836,307 2.47,309 5.124,310 1.665,311 2.587,312 1.326,313 3.623,314 2.109,315 1.188,316 1.614,318 2.666,319 1.077,320 2.5,321 1.312,322 3.414,323 2,324 1,325 1.5,326 2.275,327 1,328 2.118,329 1,330 3.209,331 1.686,332 0.701,333 0.927,334 1.652,335 0.667,336 2.015,337 0.618,338 3,339 1.416,340 0.618,341 0.855,342 1.372,343 0.486,344 1.019,345 0.409,346 2.441,347 0.587,348 -0.261,349 -0.315,350 -0.564,351 -0.177,352 0.971,353 0.219,354 2,355 0.526,356 -0.451,357 -0.588,358 -1.108,359 -0.429,360 0.5,361 -0.693,362 1.871,364 -1,365 -1.37,366 -2.925,367 -0.95,368 0.042,369 -0.841,370 1.543,371 -0.274,372 -1.218,373 -1.5,374 -3,375 -1,376 -0.044,377 -1,378 1.273,379 -0.466,380 -1.34,381 -1.736,383 -3.069,384 -1.229,385 -0.118,386 -1.256,387 1.109,388 -0.625,389 -1.511,390 -1.84,392 -3.787,393 -1.341,394 -0.266,395 -1.499,396 1,397 -0.8,398 -1.618,399 -2.251,401 -4.372,402 -1.444,403 8.681,404 0.511,405 0.421,406 0.025,407 22.5,408 1.324,409 12,410 0.706,411 10.5,412 0.618,413 11.867,414 0.698,415 17.719,416 0.633,417 13.042,418 0.767,419 4.274,420 0.251,421 3.891,422 0.229,423 0.178,425 0.288,429 0.649,430 1.098,431 0.603,432 0.771,433 0.568,434 0.79,435 0.509,436 1.118,437 0.739,438 0.994,439 0.57,440 0.923,441 1.198,442 1.112,443 1.04,444 1.045,445 1.187,446 1.074,447 1.288,448 0.992,449 0.896,450 0.958,451 1.499,452 1.099,453 1.02,454 0.949,455 0.625,456 0.802,457 1.192,458 0.837,459 1.498,460 0.903,461 1.25,462 1.012,463 1.547,464 0.952,465 0.818,466 1.014,467 1.636,468 1.429,469 0.568,470 1.268,471 0.709,472 0.917,473 1.308,474 1.18,475 0.432,476 1.064,477 3.5,478 0.02,479 2,480 1.097,481 0.737,482 0.514,483 0.264,484 0.047,485 0.079,486 0.047,487 2361,488 8740,489 1.994,490 39.3,491 3,492 4,493 1,494 1,495 1,496 1,499 1.567,500 1.855,501 2.988,502 -0.198,504 1,506 1,507 51.533,508 1.84,509 3.682,510 4.209,511 4.352,512 4.352,513 4.352,514 2.498,515 3.617,516 4.06,517 3.096,518 421.005,519 6.853,520 3830.75,521 1,522 1,523 1,524 1,525 134.606,526 1.447,527 4.01,528 0.194,529 0.01,530 0.083,531 0.052,532 0.041,533 0.03,534 0.019,535 0.004,536 0.011,537 0.012,538 0.457,539 0.83,540 1,541 0.682,542 70.843,543 -0.058,544 -0.043,545 0.022,546 0.05,547 -0.065,548 0.029,549 0.201,550 -0.078,551 0.047,552 -0.078,553 0.064,554 -0.038,555 -0.181,556 -0.168,557 -0.163,558 -0.154,559 -0.103,560 -0.148,561 -0.11,562 -0.046,563 -0.118,564 -0.122,565 -0.12,566 -0.198,567 -0.031,568 -0.02,569 0.144,570 0.127,571 0.021,572 0.165,573 -0.317,574 0.108,575 -0.152,576 0.079,577 -0.251,578 0.038,579 0.181,580 -0.038,581 -0.247,582 -0.295,583 0.163,584 -0.251,585 -0.064,586 0.052,587 -0.131,588 -0.036,589 -0.031,590 0.022,591 1.734,592 4.918,593 0.647,594 10.692,595 1.012,596 1.112,597 2.776,598 7.707,599 0.742,600 2.944,601 3.219,602 3.401,603 3.526,604 3.555,605 3.497,606 3.434,607 3.219,608 3.135,609 3.045,610 4.721,611 0.693,612 266.77,613 2.944,614 4.443,615 5.252,616 6.089,617 6.915,618 7.754,619 8.585,620 9.425,621 10.258,622 11.098,623 7.1,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 28,650 12,651 1,652 18,654 29,655 12,656 9,657 2,658 4,660 2,661 2,662 1,663 1,671 10,672 2,673 1,674 1,677 1,680 1,682 1,684 11,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 1,722 1,724 17,730 1,733 1,737 1,740 1,741 3.6,744 1,747 9.167,748 5.26,749 3.806,750 1.583,751 1.788,752 1.311,753 0.96,754 3.998,755 7.544,756 3.239,757 3.778,758 4.243,759 4.704,760 4.941,761 4.929,762 5.073,763 4.973,764 5.062,765 5.364,766 1,767 21,768 6.246,770 2.579,771 7.879,772 11.734,774 9.249,776 2.379,777 40.444,778 0.001,781 117.711,782 106.596,783 34.796,784 39.149,785 25.145,787 31.278,788 75.318,789 182.005,790 34.796,791 8.825,792 18.011,793 45.554,794 58.406,795 16.234,796 11.771,797 125.447,798 39.149,799 117.711,800 110.115,801 25.145,802 70.426,804 117.711,805 25.145,807 36.384,808 56.945,809 55.934,810 31.278,811 117.711,812 59.941,813 145.745,815 117.711,816 43.169,817 63.427,818 18.011,819 81.079,820 117.711,821 59.941,822 145.745,823 0.577,824 0.328,825 0.159,826 0.075,827 11,828 5,829 0.103,830 3,832 1,833 2.975,834 110.181,836 11,837 65.487,838 1,840 12.368,841 5.496,842 3.19,844 59.941,845 10.757,846 4.012,849 1.402,850 2.223,851 18.011,852 323.397,853 24.5,856 11.918,859 -0.067,860 28.349,861 31.146,862 0.383,863 0.766,864 0.876,865 0.905,866 0.905,867 0.905,868 4.428,869 0.618,870 5.22,871 1.652,872 3.892,873 4.46,874 2.076,875 5.953,876 3.75,877 5.614,878 -0.261,879 6.742,880 1.372,881 3.434,882 4.086,883 1.593,884 6.713,885 3.23,886 6.889,887 -0.451,888 8.362,889 -0.564,890 5.416,891 6.541,892 3.1,893 9.755,894 5.187,895 8.199,896 -1,897 10.039,898 -1.108,899 5.771,900 6.959,901 3.168,902 11.326,903 5.52,904 9.535,905 -1.218,906 11.753,907 -2.925,908 7.209,909 8.848,910 4.312,911 13.882,912 6.948,913 10.889,914 -1.34,915 13.493,916 -3,917 7.928,918 9.634,919 4.654,920 15.798,921 7.673,922 12.256,923 -1.511,924 15.252,925 -3.069,926 9.147,927 11.267,928 5.601,929 18.179,930 8.891,931 2.958,932 -1.618,933 17.025,934 -3.787,935 10.041,936 12.25,937 6.091,938 20.26,939 9.803,940 2.556,941 9.438,942 18.81,943 -4.372,944 11.169,945 13.748,946 6.927,947 22.566,948 10.937,949 2.329,950 7.226,951 20.604,952 3.713,953 12.15,954 14.847,955 7.5,956 24.728,957 11.937,958 1.836,959 6.19,960 22.407,961 3.501,962 13.242,963 16.268,964 8.273,965 27.002,966 13.036,967 1.188,968 5.124,969 24.217,970 3.042,971 14.267,972 17.437,973 8.894,974 29.204,975 14.078,976 1,977 2.666,978 26.032,979 2.47,980 15.346,981 18.813,982 9.631,983 31.462,984 15.164,985 0.701,986 2.275,987 27.852,988 1.614,989 16.395,990 20.026,991 10.279,992 33.685,993 16.226,994 2396,995 4698,996 11.731,997 20.779,998 26.89,999 27.072,1000 27.218,1001 26.476,1002 26.372,1003 35.243,1004 4.622,1005 71.887,1006 24.293,1007 5.089,1008 5.778,1009 5.956,1010 5.046,1011 4.958,1012 6.713,1013 3.497,1014 16.168,1015 4.946,1016 8.104,1017 1.494,1018 1.504,1019 1.512,1020 1.471,1021 1.465,1022 1.958,1023 0.257,1024 3.994,1025 1.35,1026 3.956,1027 3.981,1028 4.205,1029 3.898,1030 7.428,1031 3.887,1032 3.797,1033 3.824,1034 4.001,1035 3.78,1036 4.94,1037 3.7,1038 3.512,1039 3.549,1040 3.582,1041 3.38,1042 4.861,1043 3.375,1044 3.035,1045 3.115,1046 3.178,1047 2.758,1048 4.34,1049 2.784,1050 2.854,1051 2.925,1052 2.797,1053 2.735,1054 3.905,1055 2.715,1056 2.77,1057 2.816,1058 2.687,1059 2.66,1060 3.698,1061 2.625,1062 2.449,1063 2.497,1064 2.6,1065 2.278,1066 3.674,1067 2.235,1068 2.173,1069 2.251,1070 2.312,1071 2.048,1072 3.276,1073 1.974,1074 0.234,1075 0.21,1076 0.352,1077 0.22,1078 0.164,1079 4.215,1080 0.206,1081 3.778,1082 0.11,1083 6.341,1084 0.524,1085 3.953,1086 0.164,1087 2.958,1088 3.713,1089 1.987,1090 9.438,1091 2.946,1092 1.926,1093 1.904,1094 2.031,1095 2.008,1096 1.21,1097 2.02,1098 1.532,1099 1.497,1100 1.719,1101 1.727,1102 0.839,1103 1.722,1104 1.357,1105 1.333,1106 1.497,1107 1.527,1108 0.579,1109 1.53,1110 1.248,1111 1.197,1112 1.312,1113 1.399,1114 0.371,1115 1.453,1116 0.886,1117 0.821,1118 1.181,1119 1.062,1120 0.218,1121 1.107,1122 0.802,1123 0.737,1124 0.996,1125 1.021,1126 0.177,1127 1.051,1128 0.68,1129 0.669,1130 0.757,1131 0.846,1133 0.867,1134 0.039,1136 0.548,1137 0.445,1139 0.498,1140 3.611,1142 4.89,1143 2.398,1144 6.347,1145 4.443,1146 7.88,1147 6.26,1148 9.454,1150 1.853,1151 5.802,1156 2.77,1159 -0.226,1164 19.406,1165 51.533,1166 103.096,1167 117.851,1168 121.851,1169 121.851,1170 121.851,1171 26.649,1172 5.756,1173 41.99,1174 70.23,1175 11,1176 11.665,1177 3.7,1178 2.907,1179 28.5,1180 47,1181 45,1182 0.3,1183 130.576,1184 218.31,1185 310.365,1186 1819,1187 3.6,1188 12.251,1189 0.721,1190 0.633,1191 13.104,1192 10.756,1193 8.165,1194 0.454,1195 0.355,1196 5.184,1197 7.186,1198 4.916,1199 4.093,1200 8.908,1201 6.382,1202 7.243,1203 0.302,1204 0.205,1205 8.261,1206 4.931,1207 5.882,1208 0.203,1209 0.116,1210 6.787,1211 3.366,1212 4.263,1213 0.129,1214 0.062,1215 5.053,1216 2.059,1217 2.854,1218 0.084,1219 0.035,1220 3.38,1221 1.175,1222 0.462,1223 58.145,1224 0.292,1225 17.302,1226 0.838,1227 84,1228 268.777,1229 128.959,1230 312.733,1231 407.89,1232 290,1233 95,1234 252.617,1235 127.396,1236 280.419,1237 403.5,1238 263,1239 4.337}
{0 CHEMBL594762,1 1.737,2 7.737,3 3.686,4 13.587,5 79.069,6 8.671,7 0.55,8 3.602,9 3.709,10 3.352,11 3.26,12 4.704,13 3.182,14 4.105,15 4.262,16 3.712,17 3.612,18 5.179,19 3.503,20 4.335,21 4.547,22 3.59,23 3.646,24 5.35,25 3.515,26 4.331,27 4.537,28 3.612,29 3.61,30 5.462,31 3.501,32 4.37,33 4.584,34 3.595,35 3.618,36 5.512,37 3.506,38 4.362,39 4.578,40 3.568,41 3.637,42 5.423,43 3.468,44 4.228,45 4.465,46 3.549,47 3.538,48 5.255,49 3.32,50 3.927,51 4.161,52 3.025,53 3.235,54 4.841,55 2.982,56 0.017,57 0.471,58 6.06,59 3.199,60 4.765,61 3.963,62 0.141,63 0.766,64 13.807,65 5.568,66 17.392,67 7.058,68 0.181,69 0.858,70 21.764,71 7.457,72 29.821,73 9.114,74 0.247,75 0.853,76 19.819,77 6.922,78 37.921,79 8.544,80 0.205,81 0.906,82 19.306,83 7.227,84 39.42,85 8.658,86 0.29,87 0.899,88 22.59,89 7.616,90 46.266,91 8.675,92 0.288,93 0.788,94 25.709,95 7.759,96 36.013,97 9.019,98 0.163,99 0.573,100 21.351,101 6.048,102 19.541,103 6.816,104 12,105 26,106 0.323,107 0.676,108 0.811,109 0.855,110 0.855,111 0.855,112 3.01,113 1.113,114 -4.53,115 -4.45,116 -4.19,118 41.2,119 1,120 2,121 1,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 8,157 2,159 2,161 2,162 11,166 2,170 2,171 10,174 1,175 5,179 3,181 7,185 5,188 3,190 7,194 3,198 6,201 4,205 1,207 4,215 1,219 1,221 1,224 482,225 12.853,226 12.853,227 12.853,228 12.853,229 12.853,230 11.35,231 12.875,232 7.883,233 13.319,234 9.837,235 9.837,236 9.837,237 9.837,238 9.837,239 7.648,240 16.869,241 3.666,242 10.64,243 3.35,244 1.456,245 0.728,246 0.493,247 0.493,248 0.493,249 3.664,250 1,252 1,253 1,254 303,255 3.24,258 60.481,259 68.663,261 1.224,262 17.146,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.333,274 147,275 4.238,276 3.792,277 6.454,278 3.996,279 2.999,280 3.721,281 1.987,282 9.963,283 2.991,284 3.945,285 2.963,286 5.449,287 3.443,288 2.557,289 3.501,290 0.324,291 7.234,292 2.288,293 3.718,294 2.704,295 5.128,296 3.24,297 2.347,298 3.063,300 6.251,301 2.04,302 3.253,303 2.515,304 4.798,305 2.787,306 1.836,307 2.471,309 5.14,310 1.669,311 2.623,312 1.581,313 3.9,314 2.397,315 1.414,316 1.659,318 3.149,319 1.375,320 2.5,321 1.318,322 3.414,323 2.053,324 1.118,325 1.5,326 2.351,327 1.029,328 2.459,329 1,330 3.345,331 2,332 1,333 1.415,334 2.275,335 1,336 2.118,337 0.953,338 3,339 1.514,340 0.618,341 0.927,342 1.372,343 0.506,344 1.716,345 0.618,346 2.901,347 1.416,348 0.531,349 0.599,350 0.993,351 0.485,352 1.017,353 0.406,354 2.441,355 0.631,356 -0.237,357 -0.28,358 -0.465,359 -0.166,360 0.971,361 0.202,362 2,363 0.541,364 -0.43,365 -0.535,366 -1.039,367 -0.409,368 0.5,369 -0.512,370 1.903,371 0.145,372 -0.835,373 -0.957,374 -1.553,375 -0.751,376 0.297,377 -0.714,378 1.554,380 -1,381 -1.5,383 -3,384 -1,385 0.006,386 -1,387 1.532,388 -0.421,389 -1.309,390 -1.593,392 -3.066,393 -1.107,394 -0.099,395 -1.146,396 1.112,397 -0.585,398 -1.414,399 -1.807,401 -3.158,402 -1.229,403 9.681,404 0.51,405 0.383,406 0.02,407 23.5,408 1.237,409 12,410 0.632,411 11.5,412 0.605,413 15.288,414 0.805,415 20.319,416 0.598,417 13.97,418 0.735,419 4.274,420 0.225,421 4.929,422 0.259,423 0.16,425 0.258,429 0.64,430 1.144,431 0.635,432 0.838,433 0.551,434 0.87,435 0.491,436 1.16,437 0.749,438 1.029,439 0.542,440 0.992,441 1.06,442 1.019,443 0.921,444 0.945,445 1.086,446 0.959,447 1.085,448 0.986,449 0.766,450 0.895,451 1.272,452 0.961,453 1.271,454 1.012,455 0.671,456 0.835,457 1.514,458 0.906,459 1.503,460 0.937,461 1.033,462 0.913,463 1.711,464 1.003,465 0.624,466 0.984,467 1.249,468 1.205,469 0.418,470 1.051,471 1.011,472 1.034,473 1.75,474 1.447,475 0.584,476 1.248,477 3.5,478 0.02,479 2,480 1.222,481 0.817,482 0.542,483 0.365,484 0.147,485 0.11,486 0.047,487 3027,488 10050,489 1.995,490 44.1,491 7,492 4,493 1,494 1,495 1,496 1,499 1.607,500 1.869,501 2.968,502 -0.249,504 1,506 1,507 59.067,508 1.737,509 3.631,510 4.359,511 4.595,512 4.595,513 4.595,514 2.465,515 3.827,516 4.218,517 3.103,518 530.541,519 7.207,520 5296.8,521 1,522 1,523 1,524 1,525 172.974,526 1.384,527 4.178,528 0.175,529 0.01,530 0.077,531 0.051,532 0.034,533 0.023,534 0.018,535 0.009,536 0.011,537 0.012,538 0.419,539 0.5,540 1,541 1.091,542 82.225,543 -0.038,544 -0.043,545 0.031,546 0.043,547 -0.029,548 0.024,549 0.211,550 -0.104,551 0.053,552 -0.085,553 0.087,554 -0.058,555 -0.088,556 -0.075,557 -0.047,558 -0.038,559 -0.057,561 0.02,562 -0.036,563 0.001,564 -0.05,565 0.015,566 -0.037,567 -0.123,568 -0.044,569 0.025,570 0.029,571 -0.048,572 0.013,573 -0.293,574 0.057,575 -0.113,576 0.058,577 -0.3,578 -0.063,579 0.182,580 0.007,581 -0.021,582 -0.065,583 0.168,584 -0.013,585 -0.191,586 -0.036,587 -0.345,588 -0.237,589 -0.093,590 -0.194,591 1.681,592 5.308,593 0.579,594 13.296,595 1.003,596 1.117,597 3.296,598 10.863,599 0.715,600 3.045,601 3.296,602 3.497,603 3.689,604 3.738,605 3.689,606 3.714,607 3.555,608 3.367,609 3.135,610 4.861,611 0.661,612 294.83,613 3.045,614 4.533,615 5.342,616 6.184,617 7.015,618 7.862,619 8.7,620 9.549,621 10.391,622 11.24,623 5.9,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 34,650 12,651 1,652 20,654 35,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 1,669 2,671 10,672 4,673 1,674 1,677 1,680 1,681 1,682 1,684 15,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 1,722 1,724 19,729 2,730 1,733 1,737 1,740 1,741 2.9,744 1,747 10.167,748 6.26,749 4.389,750 2.166,751 1.704,752 1.288,753 0.951,754 5.199,755 7.625,756 3.314,757 3.823,758 4.285,759 4.774,760 5.02,761 5.034,762 5.251,763 5.235,764 5.247,765 5.411,766 1,767 24,768 7.013,770 2.875,771 7.787,772 13.367,774 10.588,776 2.287,777 43.444,778 0.001,781 164.795,782 111.665,783 34.796,784 39.149,785 25.145,787 31.278,788 80.387,789 229.089,790 34.796,791 8.825,792 23.08,793 45.554,794 58.406,795 16.234,796 11.771,797 172.531,798 39.149,799 164.795,800 115.184,801 25.145,802 70.426,804 164.795,805 25.145,807 41.453,808 56.945,809 55.934,810 31.278,811 164.795,812 59.941,813 150.814,815 164.795,816 48.238,817 63.427,818 18.011,819 81.079,820 164.795,821 59.941,822 150.814,823 0.559,824 0.322,825 0.177,826 0.09,827 11,828 5,829 0.143,830 5,832 1,833 3.135,834 129.772,836 11,837 76.711,838 1,840 14.321,841 6.898,842 3.934,844 59.941,845 10.963,846 4.072,849 1.42,850 2.305,851 18.011,852 375.55,853 26.5,856 12.308,859 -0.015,860 34.116,861 37.976,862 0.341,863 0.714,864 0.857,865 0.903,866 0.903,867 0.903,868 4.497,869 0.618,870 5.293,871 2.275,872 3.97,873 4.505,874 2.076,875 6.033,876 3.84,877 5.663,878 0.531,879 6.808,880 1.372,881 3.434,882 4.086,883 1.593,884 6.823,885 3.23,886 6.931,887 -0.237,888 8.426,889 0.993,890 5.485,891 6.564,892 3.1,893 9.893,894 5.273,895 8.234,896 -0.43,897 10.106,898 -0.465,899 5.802,900 6.968,901 3.168,902 11.554,903 5.559,904 9.568,905 -0.835,906 11.828,907 -1.039,908 7.28,909 8.864,910 4.312,911 14.124,912 7.04,913 10.921,914 -1,915 13.579,916 -1.553,917 7.991,918 9.65,919 4.654,920 16.146,921 7.755,922 12.289,923 -1.309,924 15.352,925 -3,926 9.234,927 11.283,928 5.601,929 18.546,930 9.004,931 2.999,932 -1.414,933 17.142,934 -3.066,935 10.136,936 12.27,937 6.091,938 20.724,939 9.925,940 2.557,941 9.963,942 18.945,943 -3.158,944 11.281,945 13.766,946 6.927,947 23.062,948 11.079,949 2.347,950 7.234,951 20.758,952 3.721,953 12.276,954 14.869,955 7.5,956 25.308,957 12.094,958 1.836,959 6.251,960 22.581,961 3.501,962 13.382,963 16.289,964 8.273,965 27.622,966 13.21,967 1.414,968 5.14,969 24.411,970 3.063,971 14.423,972 17.463,973 8.894,974 29.897,975 14.269,976 1.118,977 3.149,978 26.246,979 2.471,980 15.516,981 18.838,982 9.631,983 32.202,984 15.371,985 1,986 2.351,987 28.087,988 1.659,989 16.581,990 20.055,991 10.279,992 34.489,993 16.449,994 3093,995 5747,996 13.118,997 24.301,998 29.29,999 29.581,1000 29.98,1001 28.956,1002 28.842,1003 37.713,1004 4.622,1005 77.455,1006 26.764,1007 5.128,1008 5.792,1009 6.213,1010 5.091,1011 4.999,1012 6.721,1013 3.497,1014 16.693,1015 4.991,1016 9.001,1017 1.465,1018 1.479,1019 1.499,1020 1.448,1021 1.442,1022 1.886,1023 0.231,1024 3.873,1025 1.338,1026 3.967,1027 3.994,1028 4.205,1029 3.908,1030 7.428,1031 3.897,1032 3.798,1033 3.824,1034 4.004,1035 3.78,1036 4.94,1037 3.701,1038 3.623,1039 3.679,1040 3.628,1041 3.513,1042 4.861,1043 3.494,1044 3.347,1045 3.395,1046 3.256,1047 3.155,1048 4.337,1049 3.155,1050 2.933,1051 3.009,1052 3.168,1053 2.738,1054 4.088,1055 2.748,1056 2.854,1057 2.925,1058 2.687,1059 2.735,1060 3.792,1061 2.715,1062 2.716,1063 2.786,1064 2.621,1065 2.545,1066 3.674,1067 2.511,1068 2.454,1069 2.511,1070 2.592,1071 2.278,1072 3.465,1073 2.234,1074 0.212,1075 0.19,1076 0.323,1077 0.2,1078 0.15,1079 4.238,1080 0.186,1081 3.792,1082 0.099,1083 6.454,1084 0.498,1085 3.996,1086 0.15,1087 2.999,1088 3.721,1089 1.987,1090 9.963,1091 2.991,1092 1.936,1093 1.913,1094 2.053,1095 2.022,1096 1.327,1097 2.036,1098 1.649,1099 1.597,1100 1.882,1101 1.803,1102 1.039,1103 1.835,1104 1.402,1105 1.373,1106 1.56,1107 1.651,1108 0.709,1109 1.629,1110 1.356,1111 1.309,1112 1.484,1113 1.486,1114 0.575,1115 1.514,1116 1.144,1117 1.101,1118 1.264,1119 1.288,1120 0.365,1121 1.344,1122 0.886,1123 0.821,1124 1.181,1125 1.062,1126 0.218,1127 1.107,1128 0.732,1129 0.669,1130 1.014,1131 0.99,1132 0.214,1133 1.028,1134 0.679,1135 0.641,1136 0.79,1137 0.848,1139 0.868,1140 3.714,1142 4.977,1143 2.398,1144 6.425,1145 4.443,1146 7.96,1147 6.26,1148 9.543,1150 2.069,1151 5.879,1155 1.747,1156 2.855,1159 -0.161,1164 22.46,1165 59.067,1166 123.464,1167 148.219,1168 156.219,1169 156.219,1170 156.219,1171 33.941,1172 5.922,1173 41.99,1174 70.23,1175 11,1176 11.8,1177 3.7,1178 2.907,1179 33.46,1180 52,1181 55,1182 0.306,1183 149.761,1184 252.91,1185 357.176,1186 2159,1187 2.9,1188 13.665,1189 0.719,1190 0.641,1191 14.518,1192 12.17,1193 9.203,1194 0.46,1195 0.371,1196 6.222,1197 8.224,1198 5.942,1199 4.978,1200 9.946,1201 7.42,1202 7.836,1203 0.301,1204 0.213,1205 8.854,1206 5.55,1207 6.199,1208 0.194,1209 0.118,1210 7.104,1211 3.769,1212 4.979,1213 0.128,1214 0.066,1215 5.769,1216 2.568,1217 3.496,1218 0.085,1219 0.038,1220 4.008,1221 1.541,1222 0.466,1223 64.373,1224 0.276,1225 18.986,1226 0.881,1227 92,1228 276.777,1229 136.959,1230 320.904,1231 419.97,1232 298,1233 104,1234 261.617,1235 136.396,1236 289.459,1237 417.96,1238 272,1239 5.26}
{0 CHEMBL594770,1 2.089,2 9.348,3 4.307,4 18.553,5 84.684,6 10.106,7 0.458,8 3.701,9 3.8,10 3.541,11 3.282,12 4.964,13 3.261,14 4.248,15 4.389,16 4.06,17 3.647,18 6.015,19 3.62,20 4.429,21 4.598,22 4.054,23 3.736,24 5.803,25 3.678,26 4.532,27 4.745,28 3.931,29 3.703,30 5.924,31 3.656,32 4.468,33 4.66,34 3.754,35 3.666,36 5.819,37 3.588,38 4.489,39 4.729,40 3.788,41 3.687,42 5.617,43 3.549,44 4.316,45 4.511,46 3.884,47 3.529,48 5.985,49 3.417,50 4.015,51 4.193,52 3.399,53 3.194,54 5.383,55 3.133,56 0.223,57 0.752,58 3.645,59 3.518,60 35.162,61 3.412,62 0.885,63 1.475,64 11.774,65 5.955,66 151.626,67 6.259,68 0.694,69 1.279,70 21.179,71 8.013,72 93.051,73 8.217,74 0.852,75 1.193,76 22.864,77 8.022,78 109.222,79 9.693,80 0.856,81 1.024,82 16.66,83 6.874,84 100.119,85 7.486,86 0.829,87 1.067,88 25.248,89 8.735,90 118.784,91 10.005,92 0.927,93 0.914,94 29.144,95 7.715,96 159.731,97 7.578,98 0.626,99 0.843,100 20.817,101 5.01,102 88.071,103 4.202,104 54,105 35,106 0.384,107 0.701,108 0.775,109 0.795,110 0.795,111 0.795,112 3.188,113 0.981,114 -5.17,115 -5.06,116 -4.74,118 38.9,119 2,121 2,127 1,131 4,132 1,133 1,142 1,145 1,146 1,150 1,154 8,157 3,159 2,161 2,162 12,166 2,168 1,170 2,171 10,174 1,175 6,179 4,181 8,184 1,185 5,188 2,190 7,194 6,198 5,201 7,205 1,207 4,211 2,219 1,221 1,224 735,225 14.403,226 14.403,227 14.403,228 14.403,229 14.403,230 12.965,231 17.329,232 8.217,233 15.084,234 11.809,235 11.809,236 11.809,237 11.809,238 11.809,239 9.62,240 22.94,241 3.871,242 13.096,243 3.081,244 1.354,245 0.952,246 0.841,247 0.841,248 0.841,249 3.836,250 1,253 1,254 437,255 4.243,258 74.487,259 86.884,261 1.437,262 42.137,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 53.333,274 215,275 4.473,276 4.461,277 7.118,278 4.149,279 3.328,280 3.92,281 3.825,282 11.699,283 3.087,284 4.28,285 3.818,286 6.685,287 4.082,288 3.086,289 3.728,290 1.987,291 10.661,292 2.694,293 3.859,294 2.972,295 5.483,296 3.414,297 2.521,298 3.191,299 0.324,300 7.36,301 2.278,302 3.701,303 2.762,304 5.194,305 3.267,306 2.38,307 2.973,309 6.381,310 2.073,311 3.246,312 2.576,313 4.829,314 2.785,315 1.844,316 2.455,318 5.271,319 1.722,320 2.948,321 1.935,322 4.633,323 2.756,324 1.779,325 1.977,326 4.603,327 1.637,328 2.65,329 1.726,330 4.33,331 2.164,332 1.3,333 1.672,334 3.745,335 1.098,336 2.5,337 1,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 2.167,345 0.925,346 3.293,347 1.558,348 0.688,349 1.01,350 1.682,351 0.582,352 1.543,353 0.749,354 3.171,355 1.275,356 0.321,357 0.369,358 0.815,359 0.286,360 0.992,361 0.51,362 2.697,363 0.569,364 -0.319,365 -0.382,366 -0.799,367 -0.234,368 0.883,369 0.51,370 2.428,371 0.431,372 -0.509,373 -0.671,374 -1.228,375 -0.45,376 0.5,377 0.425,378 2,380 -1,381 -1,383 -2,384 -0.7,385 0.094,386 0.148,387 2,389 -1,390 -1,392 -3,393 -0.7,395 -0.643,396 2,397 -0.3,398 -1,399 -1,401 -3,402 -1,403 10.938,404 0.476,405 0.905,406 0.039,407 26.25,408 1.141,409 12,410 0.522,411 14.25,412 0.62,413 21.205,414 0.922,415 26.262,416 0.729,417 20.068,418 0.873,419 5.01,420 0.218,421 5.67,422 0.247,423 0.266,424 0.046,425 0.32,426 3,429 0.564,430 0.919,431 0.581,432 0.862,433 0.594,434 0.86,435 0.364,436 0.792,437 0.576,438 0.932,439 0.378,440 0.888,441 0.536,442 0.79,443 0.855,444 1.153,445 0.612,446 1.104,447 0.524,448 0.692,449 0.626,450 0.876,451 0.565,452 0.949,453 0.658,454 0.499,455 0.782,456 0.812,457 0.765,458 1.1,459 0.648,460 0.712,461 0.836,462 0.859,463 0.631,464 0.967,465 0.523,466 0.823,467 1.472,468 1.355,469 0.371,470 1.042,471 1.504,472 1.182,473 2.163,474 1.37,475 1.265,476 1.343,477 7,478 0.082,479 3.111,480 2.25,481 1.477,482 0.816,483 0.67,484 0.316,485 0.375,486 0.137,487 4975,488 23564,489 1.888,490 36.1,491 7,492 4,495 1,496 1,499 1.659,500 1.693,501 3.173,502 -0.155,504 1,507 75.199,508 2.089,509 3.816,510 4.218,511 4.329,512 4.329,513 4.329,514 2.653,515 3.969,516 4.496,517 3.363,518 850.799,519 7.749,520 9709.66,522 1,524 1,525 186.117,526 1.771,527 4.392,528 0.292,529 0.009,530 0.089,531 0.068,532 0.045,533 0.03,534 0.027,535 0.013,536 0.022,537 0.008,538 0.602,539 0.17,540 1,541 1.025,542 107.453,543 -0.019,544 0.003,545 0.015,546 0.047,547 -0.075,548 0.021,549 0.444,550 0.221,551 0.208,552 0.042,553 0.429,554 0.047,555 0.137,556 -0.023,557 0.067,558 -0.178,559 0.045,560 -0.101,561 0.158,562 -0.027,563 0.173,564 -0.044,565 0.115,566 0.079,567 -0.002,568 0.117,569 -0.086,570 0.005,571 -0.066,572 -0.153,574 -0.053,575 0.135,576 0.111,577 -0.019,578 0.144,579 0.245,580 -0.05,581 -0.098,582 -0.105,583 0.353,584 0.037,585 -0.45,586 -0.166,587 -0.739,588 -0.32,589 -0.327,590 -0.398,591 5.825,592 5.412,593 0.478,594 17.781,595 1.049,596 1.153,597 3.94,598 15.522,599 0.698,600 3.219,601 3.584,602 3.738,603 3.932,604 3.989,605 4.025,606 4.025,607 3.932,608 3.932,609 3.761,610 5.676,611 0.684,612 363.82,613 3.219,614 4.779,615 5.602,616 6.491,617 7.335,618 8.221,619 9.074,620 9.958,621 10.815,622 11.697,623 8.3,628 1,631 2,633 4,634 2,637 1,638 4,639 11,648 1,649 36,650 12,651 1,652 24,654 37,655 14,656 8,657 2,658 4,660 2,661 2,662 1,663 3,668 1,671 9,672 5,673 2,674 1,677 1,680 1,682 1,683 3,684 13,685 7,686 1,687 9,688 2,691 3,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,723 3,724 23,730 1,733 2,735 1,740 4,741 2.8,744 1,747 13.583,748 7.055,749 4.917,750 2.095,751 1.772,752 1.279,753 0.935,754 5.509,755 8.133,756 3.45,757 4.021,758 4.467,759 4.976,760 5.266,761 5.371,762 5.511,763 5.522,764 5.558,765 5.784,766 1,767 33,768 8.999,770 4.34,771 8.53,772 15.2,774 12.175,776 3.03,777 69.694,781 141.253,782 107.414,783 51.337,784 39.149,785 25.145,786 44.88,787 31.278,788 76.136,789 205.547,790 96.217,791 17.65,792 18.011,793 37.905,794 64.105,795 52.067,797 172.531,798 46.908,799 141.253,800 127.473,801 70.025,802 70.426,804 141.253,805 70.025,807 44.851,808 49.296,809 72.475,810 31.278,811 186.134,812 76.482,813 146.562,815 149.013,816 44.099,817 55.555,818 18.011,819 142.5,820 141.253,821 121.362,822 146.562,823 0.602,824 0.327,825 0.163,826 0.08,827 16,828 9,829 0.108,830 4,832 1,833 3.334,834 174.776,836 11,837 93.287,838 1,840 17.995,841 7.041,842 4.568,844 121.362,845 6.75,846 6.408,849 0.295,850 -0.014,851 18.011,852 409.178,853 30.5,856 12.412,859 -0.438,860 37.756,861 41.494,862 0.404,863 0.738,864 0.816,865 0.837,866 0.837,867 0.837,868 4.716,869 1,870 5.666,871 3.745,872 4.263,873 4.705,874 3.326,875 6.524,876 4.076,877 5.954,878 0.688,879 7.276,880 2.275,881 4.205,882 4.635,883 3.979,884 7.763,885 3.827,886 7.28,887 0.321,888 8.997,889 1.682,890 5.969,891 6.823,892 5.51,893 10.739,894 5.6,895 8.639,896 -0.319,897 10.783,898 0.815,899 6.648,900 7.461,901 6.718,902 12.749,903 6.097,904 10.024,905 -0.509,906 12.612,907 -0.799,908 8.006,909 9.208,910 8.081,911 15.346,912 7.445,913 11.428,914 -1,915 14.47,916 -1.228,917 8.978,918 10.168,919 9.397,920 17.629,921 8.272,922 12.847,923 -1,924 16.35,925 -2,926 10.208,927 11.722,928 10.74,929 20.115,930 9.464,931 3.328,932 -1,933 18.246,934 -3,935 11.299,936 12.851,937 12.077,938 22.495,939 10.443,940 3.086,941 11.699,942 20.153,943 -3,944 12.49,945 14.309,946 13.418,947 24.946,948 11.578,949 2.521,950 10.661,951 22.07,952 3.92,953 13.632,954 15.531,955 14.759,956 27.363,957 12.628,958 2.38,959 7.36,960 23.994,961 3.728,962 14.812,963 16.94,964 16.1,965 29.805,966 13.744,967 1.844,968 6.381,969 25.923,970 3.191,971 15.976,972 18.215,973 17.441,974 32.236,975 14.828,976 1.779,977 5.271,978 27.857,979 2.973,980 17.156,981 19.597,982 18.783,983 34.677,984 15.94,985 1.3,986 4.603,987 29.794,988 2.455,989 18.332,990 20.903,991 20.125,992 37.115,993 17.041,994 5140,995 11441,996 14.622,997 25.12,998 37.317,999 36.561,1000 37.969,1001 36.818,1002 36.495,1003 45.59,1004 12.272,1005 108.987,1006 32.917,1007 5.362,1008 6.461,1009 6.533,1010 5.276,1011 5.328,1012 6.92,1013 5.335,1014 18.733,1015 5.087,1016 15.738,1017 1.555,1018 1.523,1019 1.582,1020 1.534,1021 1.521,1022 1.9,1023 0.511,1024 4.541,1025 1.372,1026 3.975,1027 4.001,1028 4.238,1029 3.912,1030 8.513,1031 3.903,1032 3.821,1033 3.85,1034 4.006,1035 3.747,1036 7.999,1037 3.687,1038 3.64,1039 3.689,1040 3.653,1041 3.531,1042 7.999,1043 3.514,1044 3.351,1045 3.405,1046 3.342,1047 3.074,1048 7.428,1049 3.104,1050 3.115,1051 3.16,1052 3.222,1053 2.826,1054 4.984,1055 2.864,1056 2.874,1057 3.009,1058 3.108,1059 2.735,1060 4.935,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.625,1066 4.355,1067 2.652,1068 2.822,1069 2.856,1070 2.499,1071 2.618,1072 4.125,1073 2.57,1074 0.186,1075 0.186,1076 0.297,1077 0.173,1078 0.139,1079 4.473,1080 0.163,1081 4.461,1082 0.159,1083 7.118,1084 0.487,1085 4.149,1086 0.129,1087 3.328,1088 3.92,1089 3.825,1090 11.699,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.61,1100 1.868,1101 1.8,1102 0.999,1103 1.828,1104 1.415,1105 1.414,1106 1.45,1107 1.645,1108 0.595,1109 1.593,1110 1.294,1111 1.237,1112 1.417,1113 1.61,1114 0.473,1115 1.549,1116 1.009,1117 0.967,1118 1.25,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.219,1126 0.218,1127 1.204,1128 0.886,1129 0.804,1130 1.104,1131 1.062,1132 0.124,1133 1.107,1134 0.665,1135 0.65,1136 0.778,1137 0.941,1139 0.889,1140 3.892,1142 5.242,1143 2.398,1144 6.756,1145 4.595,1146 8.344,1147 6.605,1148 9.971,1150 3.695,1151 5.827,1152 37.533,1156 2.402,1159 -0.6,1161 -4.575,1164 24.631,1165 75.199,1166 137.362,1167 151.853,1168 155.853,1169 155.853,1170 155.853,1171 68.185,1172 6.361,1173 54.88,1174 83.12,1175 11,1176 12.236,1177 3.7,1178 2.907,1179 45.232,1180 77,1181 76,1182 0.289,1183 160.15,1184 282.12,1185 382.525,1186 3869,1187 11.1,1188 17.198,1189 0.748,1190 0.598,1191 15.552,1192 13.759,1193 10.681,1194 0.445,1195 0.327,1196 6.619,1197 9.413,1198 6.348,1199 5.273,1200 10.166,1201 7.847,1202 10.796,1203 0.308,1204 0.188,1205 10.002,1206 6.587,1207 7.503,1208 0.183,1209 0.103,1210 7.484,1211 4.211,1212 6.095,1213 0.122,1214 0.056,1215 6.425,1216 2.82,1217 4.106,1218 0.077,1219 0.031,1220 4.209,1221 1.622,1222 0.448,1223 75.485,1224 0.262,1225 22.455,1226 0.807,1227 118,1228 582.756,1229 185.593,1230 530.328,1231 669.04,1232 486,1233 135,1234 421.957,1235 190.481,1236 431.34,1237 647.67,1238 402,1239 5.721}
{0 CHEMBL594771,1 1.827,2 7.684,3 3.354,4 11.252,5 78.956,6 8.964,7 0.55,8 3.585,9 3.693,10 3.37,11 3.206,12 4.731,13 3.149,14 4.081,15 4.244,16 3.734,17 3.574,18 5.194,19 3.487,20 4.303,21 4.489,22 3.626,23 3.667,24 5.365,25 3.544,26 4.425,27 4.651,28 3.68,29 3.654,30 5.569,31 3.548,32 4.407,33 4.607,34 3.588,35 3.629,36 5.631,37 3.519,38 4.387,39 4.639,40 3.608,41 3.63,42 5.349,43 3.437,44 4.167,45 4.4,46 3.574,47 3.441,48 5.295,49 3.239,50 3.745,51 3.96,52 2.792,53 2.966,54 4.815,55 2.735,56 0.044,57 0.492,58 5.706,59 2.874,60 5.608,61 3.556,62 0.19,63 0.765,64 12.096,65 5.032,66 20.939,67 6.452,68 0.216,69 0.845,70 19.344,71 7.109,72 31.885,73 8.575,74 0.296,75 0.918,76 22.381,77 7.717,78 40.099,79 9.684,80 0.397,81 0.932,82 18.729,83 6.878,84 60.748,85 7.831,86 0.273,87 0.91,88 23.883,89 8.179,90 38.956,91 9.933,92 0.36,93 0.763,94 28.027,95 7.314,96 37.965,97 7.662,98 0.255,99 0.446,100 19.504,101 4.053,102 26.046,103 4.399,104 18,105 27,106 0.342,107 0.686,108 0.777,109 0.8,110 0.8,111 0.8,112 3.01,113 1.059,114 -4.27,115 -4.21,116 -3.98,118 39.4,119 2,121 2,131 4,132 1,133 1,137 1,142 1,146 1,154 8,156 1,157 1,159 2,161 1,162 12,166 2,168 1,170 2,171 10,174 1,175 5,179 4,181 7,184 1,185 5,188 2,190 5,194 6,198 1,201 7,205 1,207 2,211 2,219 1,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.892,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.545,243 3.217,244 1.382,245 0.894,246 0.773,247 0.773,248 0.773,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 18.464,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.833,274 146,275 4.289,276 3.818,277 6.685,278 4.089,279 3.09,280 3.739,281 1.987,282 10.662,283 3.087,284 3.945,285 2.972,286 5.452,287 3.453,288 2.559,289 3.501,290 0.324,291 7.244,292 2.301,293 3.753,294 2.755,295 5.182,296 3.299,297 2.39,298 3.109,300 6.354,301 2.135,302 3.253,303 2.524,304 4.809,305 2.795,306 1.839,307 2.472,309 5.186,310 1.76,311 2.947,312 1.935,313 4.565,314 2.757,315 1.772,316 1.976,318 4.38,319 1.64,320 2.558,321 1.318,322 3.449,323 2.055,324 1.131,325 1.56,326 2.496,327 1.037,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.527,340 0.618,341 0.927,342 1.372,343 0.555,344 1.542,345 0.618,346 3,347 1.272,348 0.314,349 0.364,350 0.787,351 0.281,352 0.971,353 0.402,354 2.441,355 0.549,356 -0.337,357 -0.404,358 -0.819,359 -0.244,360 0.882,361 0.114,362 2,363 0.428,364 -0.525,365 -0.705,366 -1.237,367 -0.477,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.402,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.569,398 -1.398,399 -1.802,401 -3.177,402 -1.33,403 9.581,404 0.504,405 0.511,406 0.027,407 23.75,408 1.25,409 12,410 0.632,411 11.75,412 0.618,413 15.718,414 0.827,415 20.419,416 0.619,417 14.427,418 0.759,419 4.359,420 0.229,421 4.716,422 0.248,423 0.214,425 0.313,429 0.634,430 1.311,431 0.607,432 0.924,433 0.579,434 0.885,435 0.477,436 0.983,437 0.614,438 0.858,439 0.54,440 0.872,441 0.957,442 1.032,443 0.965,444 1.055,445 1.084,446 1.1,447 0.867,448 0.961,449 0.662,450 0.866,451 1.014,452 0.907,453 1.546,454 0.948,455 0.799,456 0.842,457 1.998,458 1.028,459 0.86,460 0.961,461 0.825,462 0.871,463 0.908,464 0.929,465 0.882,466 1.098,467 1.596,468 1.439,469 0.469,470 1.039,471 1.941,472 1.006,473 2.484,474 1.538,475 1.181,476 1.531,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 10622,489 1.965,490 42.4,491 7,492 4,494 1,495 1,496 1,499 1.607,500 1.81,501 2.928,502 -0.198,504 1,506 1,507 60.301,508 1.827,509 3.662,510 4.15,511 4.271,512 4.271,513 4.271,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 166.465,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.33,540 1,541 0.92,542 81.822,543 -0.014,544 -0.182,545 0.046,546 -0.043,547 -0.047,548 -0.004,549 0.237,550 0.072,551 0.127,552 0.038,553 0.108,554 0.053,555 -0.064,556 -0.097,557 -0.121,558 -0.143,559 -0.09,560 -0.136,561 0.094,562 -0.075,563 0.098,564 -0.009,565 0.132,566 0.064,567 -0.257,568 0.016,569 -0.123,570 0.003,571 -0.26,572 -0.139,573 -0.036,574 -0.05,575 0.103,576 0.126,577 -0.069,578 0.094,579 0.064,580 -0.028,581 -0.14,582 -0.134,583 0.189,584 0.008,585 -0.635,586 -0.007,587 -0.806,588 -0.456,589 -0.438,590 -0.566,591 1.742,592 5.332,593 0.579,594 12.648,595 1.01,596 1.123,597 3.044,598 9.266,599 0.714,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.665,612 295.82,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 9.1,628 1,631 2,633 5,634 2,637 1,638 3,639 11,648 1,649 33,650 12,651 1,652 20,654 34,655 13,656 8,657 2,658 4,660 2,661 2,662 1,663 2,671 9,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 14,685 4,686 1,687 6,688 2,691 3,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,724 19,730 1,733 2,740 1,741 3,744 1,747 10.5,748 6.46,749 4.25,750 1.961,751 1.704,752 1.288,753 0.936,754 4.751,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 6.996,770 2.885,771 7.857,772 13.177,774 10.424,776 2.357,777 44.778,778 0.001,781 153.024,782 107.118,783 49.772,784 39.149,785 25.145,787 31.052,788 76.066,789 217.318,790 49.772,791 17.65,792 18.011,793 37.905,794 73.382,795 15.806,797 172.305,798 39.149,799 153.024,800 125.838,801 25.145,802 70.201,804 153.024,805 25.145,807 44.78,808 49.296,809 70.91,810 31.052,811 153.024,812 74.917,813 146.266,815 153.024,816 42.944,817 64.174,818 18.011,819 96.055,820 153.024,821 74.917,822 146.266,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.118,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,838 1,840 14.257,841 6.331,842 3.66,844 74.917,845 8.779,846 7.822,849 1.164,850 2.127,851 18.011,852 374.208,853 26.5,856 12.332,859 -0.075,860 33.334,861 37.06,862 0.362,863 0.726,864 0.823,865 0.847,866 0.847,867 0.847,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.895,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.443,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.376,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.774,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.2,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 7.998,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.232,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.215,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.377,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.442,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.579,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.678,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.807,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.922,994 3028,995 5866,996 12.83,997 23.546,998 29.962,999 30.402,1000 30.632,1001 29.576,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 27.59,1007 5.177,1008 5.818,1009 6.3,1010 5.159,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.087,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.479,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.379,1026 3.971,1027 3.998,1028 4.186,1029 3.909,1030 7.428,1031 3.901,1032 3.764,1033 3.802,1034 4.005,1035 3.669,1036 4.988,1037 3.62,1038 3.625,1039 3.678,1040 3.647,1041 3.521,1042 4.935,1043 3.495,1044 3.266,1045 3.314,1046 3.223,1047 3.043,1048 4.355,1049 3.052,1050 2.874,1051 3.009,1052 3.148,1053 2.735,1054 4.125,1055 2.715,1056 2.854,1057 2.925,1058 2.687,1059 2.709,1060 3.849,1061 2.714,1062 2.852,1063 2.895,1064 2.599,1065 2.618,1066 3.674,1067 2.57,1068 2.455,1069 2.525,1070 2.499,1071 2.293,1072 3.467,1073 2.243,1074 0.214,1075 0.191,1076 0.334,1077 0.204,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.089,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.363,1105 1.317,1106 1.471,1107 1.625,1108 0.552,1109 1.598,1110 1.15,1111 1.084,1112 1.417,1113 1.411,1114 0.469,1115 1.393,1116 1.012,1117 0.997,1118 1.297,1119 1.239,1120 0.303,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.123,1126 0.218,1127 1.169,1128 0.886,1129 0.804,1130 1.04,1131 1.062,1132 0.145,1133 1.107,1134 0.667,1135 0.661,1136 0.759,1137 0.83,1139 0.843,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.026,1151 5.873,1156 2.789,1159 -0.06,1164 21.954,1165 60.301,1166 120.855,1167 136.955,1168 140.955,1169 140.955,1170 140.955,1171 34.886,1172 5.922,1173 54.88,1174 83.12,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 146.963,1184 246.61,1185 350.349,1186 2133,1187 3,1188 13.828,1189 0.728,1190 0.642,1191 14.682,1192 12.203,1193 9.075,1194 0.454,1195 0.353,1196 5.942,1197 8.039,1198 5.623,1199 4.738,1200 9.818,1201 7.058,1202 8.205,1203 0.304,1204 0.212,1205 9.223,1206 5.725,1207 6.212,1208 0.188,1209 0.109,1210 7.117,1211 3.602,1212 5.266,1213 0.128,1214 0.061,1215 6.056,1216 2.481,1217 3.233,1218 0.081,1219 0.033,1220 3.739,1221 1.333,1222 0.476,1223 64.109,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 298.422,1229 140.402,1230 341.981,1231 447.31,1232 316,1233 107,1234 281.889,1235 141.785,1236 314.032,1237 449.52,1238 293,1239 5.699}
{0 CHEMBL594838,1 1.694,2 7.7,3 4.389,4 19.267,5 84.021,6 8.348,7 0.524,8 3.682,9 3.787,10 3.403,11 3.311,12 4.77,13 3.235,14 4.193,15 4.361,16 3.76,17 3.654,18 5.211,19 3.556,20 4.348,21 4.538,22 3.675,23 3.725,24 5.307,25 3.609,26 4.496,27 4.716,28 3.757,29 3.76,30 5.462,31 3.657,32 4.557,33 4.75,34 3.789,35 3.856,36 5.548,37 3.738,38 4.654,39 4.88,40 3.765,41 3.949,42 5.554,43 3.738,44 4.617,45 4.905,46 3.626,47 3.777,48 5.471,49 3.515,50 4.077,51 4.334,52 2.957,53 3.282,54 4.952,55 2.994,57 0.503,58 7.14,59 3.632,60 6.532,61 4.522,62 0.204,63 0.811,64 16.64,65 6.086,66 20.983,67 7.603,68 0.107,69 0.887,70 19.629,71 7.257,72 20.666,73 9.265,74 0.248,75 1.015,76 23.576,77 8.041,78 30.055,79 10.285,80 0.271,81 1.116,82 22.459,83 8.377,84 33.549,85 9.989,86 0.223,87 1.233,88 30.78,89 11.013,90 32.279,91 13.277,92 0.384,93 1.129,94 39.411,95 11.644,96 41.261,97 13.94,98 0.168,99 0.587,100 24.012,101 6.718,102 24.029,103 8.285,104 21,105 28,106 0.309,107 0.638,108 0.782,109 0.802,110 0.802,111 0.802,112 3.058,113 1.093,114 -5.18,115 -5.07,116 -4.75,118 40.5,119 2,121 2,123 1,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 8,156 2,157 4,162 12,166 4,171 10,174 1,175 10,181 8,185 6,190 7,194 4,198 5,201 4,207 4,219 1,221 1,224 538,225 13.353,226 13.353,227 13.353,228 13.353,229 13.353,230 11.797,231 13.39,232 7.969,233 14.017,234 10.288,235 10.288,236 10.288,237 10.288,238 10.288,239 8.003,240 16.027,241 3.674,242 11.339,243 3.516,244 1.718,245 0.926,246 0.818,247 0.818,248 0.818,249 3.71,250 1,253 1,254 316,255 3.536,258 64.351,259 73.092,261 1.2,262 13.8,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.333,274 154,275 4.33,276 3.609,277 6.723,278 4.084,279 3.108,280 3.784,281 1.897,282 10.86,283 3.039,284 3.985,285 2.94,286 5.491,287 3.443,288 2.566,289 3.571,290 0.477,291 7.327,292 2.261,293 3.75,294 2.73,295 5.197,296 3.293,297 2.395,298 3.119,299 0.348,300 6.403,301 2.11,302 3.315,303 2.377,304 4.884,305 2.808,306 1.921,307 2.559,309 5.424,310 1.703,311 2.977,312 1.926,313 4.668,314 2.759,315 1.8,316 2.023,318 4.609,319 1.634,320 2.54,321 1.384,322 3.451,323 2.071,324 1.165,325 1.552,326 2.538,327 1.042,328 2.5,329 1.09,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 1,338 3.179,339 1.429,340 0.618,341 0.927,342 1.372,343 0.486,344 1.612,345 0.701,346 3,347 1.416,348 0.531,349 0.56,350 1.042,351 0.461,352 1.542,353 0.618,354 2.618,355 1.028,356 0.154,357 0.198,358 0.29,359 0.13,360 0.939,361 0.193,362 2.343,363 0.502,364 -0.35,365 -0.429,366 -0.831,367 -0.246,368 0.5,369 -0.3,370 2,371 0.048,372 -0.822,373 -0.904,374 -1.876,375 -0.686,376 0.325,377 -0.858,378 1.79,380 -1,381 -1,383 -2,384 -1,386 -1,387 1.56,389 -1,390 -1.5,392 -3,393 -1,394 -0.057,395 -1,396 1.369,397 -0.57,398 -1.323,399 -1.556,401 -3.154,402 -1.05,403 10.181,404 0.509,405 0.473,406 0.024,407 24.25,408 1.213,409 12,410 0.6,411 12.25,412 0.613,413 17.865,414 0.893,415 21.619,416 0.584,417 14.667,418 0.733,419 4.474,420 0.224,421 5.139,422 0.257,423 0.217,425 0.295,429 0.74,430 1.247,431 0.646,432 0.935,433 0.762,434 0.94,435 0.898,436 0.982,437 0.738,438 0.865,439 0.757,440 0.821,441 0.977,442 1.157,443 0.884,444 0.989,445 0.951,446 1.04,447 1.031,448 0.947,449 0.698,450 0.827,451 0.884,452 0.868,453 1.608,454 1.008,455 0.808,456 0.865,457 1.246,458 0.999,459 0.952,460 1.143,461 1.056,462 1.15,463 1.017,464 1.175,465 0.569,466 0.872,467 1.146,468 1.118,469 0.668,470 0.937,471 1.069,472 1.008,473 1.703,474 1.319,475 1.483,476 1.315,477 4,478 0.02,479 2,480 1.722,481 1.057,482 0.681,483 0.553,484 0.188,485 0.079,486 0.047,487 3286,488 10473,489 1.966,490 45.9,491 7,492 7,493 1,494 1,496 1,499 1.625,500 1.818,501 2.929,502 -0.738,504 1,507 62.66,508 1.694,509 3.492,510 4.283,511 4.391,512 4.391,513 4.391,514 2.433,515 3.684,516 4.293,517 3.064,518 582.185,519 7.371,520 5963.36,522 1,524 1,525 192.75,526 1.485,527 4.237,528 0.19,529 0.01,530 0.071,531 0.064,532 0.036,533 0.023,534 0.023,535 0.01,536 0.01,537 0.012,538 0.451,539 0.33,540 1,541 1.013,542 87.458,544 -0.151,545 0.045,546 -0.023,547 -0.048,548 -0.016,549 0.123,550 0.071,551 0.102,552 0.096,553 0.137,554 0.118,555 -0.065,556 -0.183,557 -0.07,558 -0.122,559 -0.04,560 -0.098,561 0.052,562 0.024,563 0.054,564 0.012,565 0.089,566 0.056,567 -0.289,568 0.02,569 -0.109,570 0.005,571 -0.245,572 -0.11,573 -0.13,574 -0.143,575 -0.129,576 -0.125,577 -0.192,578 -0.195,579 0.163,580 0.092,581 0.032,582 0.019,583 0.221,584 0.109,585 -0.156,586 -0.152,587 -0.306,588 -0.259,589 -0.287,590 -0.265,591 1.249,592 2.015,593 0.55,594 13.61,595 1,596 1.119,597 3.951,598 15.613,599 0.704,600 3.091,601 3.367,602 3.584,603 3.807,604 3.85,605 3.807,606 3.85,607 3.664,608 3.367,609 3.045,610 4.783,611 0.648,612 308.86,613 3.091,614 4.595,615 5.416,616 6.275,617 7.117,618 7.981,619 8.831,620 9.696,621 10.55,622 11.415,623 5.4,630 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 37,650 12,651 1,652 21,654 38,655 15,656 9,657 2,658 4,659 1,660 2,661 2,662 1,663 2,671 10,672 5,673 2,674 1,679 1,680 1,682 1,684 17,685 3,687 5,688 2,691 2,692 1,693 1,703 1,704 1,716 1,717 2,719 1,721 3,722 1,724 20,731 1,733 2,737 1,740 1,741 2.7,746 1,747 11,748 7.543,749 4.583,750 2.169,751 2.157,752 1.36,753 0.928,754 5.41,755 8.156,756 3.35,757 3.887,758 4.39,759 4.912,760 5.216,761 5.378,762 5.666,763 5.82,764 5.915,765 6.055,766 1,767 27,768 7.342,770 2.936,771 7.639,772 14.115,774 11.026,776 2.139,777 42.778,778 0.001,781 200.109,782 126.414,783 33.571,784 39.149,785 11,787 31.278,788 95.136,789 250.257,790 33.571,791 28.533,793 45.554,794 33.371,795 44.02,796 11.771,797 207.844,798 39.149,799 200.109,800 128.708,801 11,802 70.426,804 200.109,805 11,807 43.984,808 67.938,809 55.934,810 31.278,811 200.109,812 44.571,813 165.563,815 200.109,816 43.279,817 83.135,819 83.72,820 200.109,821 44.571,822 165.563,823 0.569,824 0.332,825 0.184,826 0.092,827 12,828 6,829 0.132,830 5,832 1,833 3.139,834 142.929,836 11,837 80.439,838 1,840 15.301,841 7.072,842 3.956,844 44.571,845 11.459,846 4.183,849 1.494,850 2.579,852 410.242,853 27.5,858 4.526,859 0.678,860 37,861 41.392,862 0.325,863 0.67,864 0.822,865 0.843,866 0.843,867 0.843,868 4.551,869 0.618,870 5.389,871 2.275,872 4.043,873 4.57,874 2.088,875 6.168,876 3.877,877 5.737,878 0.531,879 6.93,880 1.372,881 3.611,882 4.182,883 1.425,884 7.076,885 3.371,886 7.018,887 0.154,888 8.576,889 1.042,890 5.595,891 6.658,892 2.933,893 10.157,894 5.322,895 8.335,896 -0.35,897 10.285,898 0.29,899 5.994,900 7.078,901 2.975,902 11.952,903 5.681,904 9.682,905 -0.822,906 12.038,907 -0.831,908 7.439,909 8.984,910 4.011,911 14.563,912 7.113,913 11.05,914 -1,915 13.822,916 -1.876,917 8.219,918 9.787,919 4.379,920 16.72,921 7.879,922 12.432,923 -1,924 15.63,925 -2,926 9.458,927 11.429,928 5.198,929 19.181,930 9.111,931 3.108,932 -1.323,933 17.458,934 -3,935 10.419,936 12.44,937 5.714,938 21.481,939 10.068,940 2.566,941 10.86,942 19.301,943 -3.154,944 11.579,945 13.944,946 6.437,947 23.891,948 11.222,949 2.395,950 7.327,951 21.157,952 3.784,953 12.627,954 15.073,955 7.02,956 26.244,957 12.265,958 1.921,959 6.403,960 23.022,961 3.571,962 13.76,963 16.5,964 7.699,965 28.638,966 13.391,967 1.8,968 5.424,969 24.896,970 3.119,971 14.849,972 17.7,973 8.312,974 31.01,975 14.472,976 1.165,977 4.609,978 26.776,979 2.559,980 15.974,981 19.082,982 8.97,983 33.398,984 15.587,985 1,986 2.538,987 28.661,988 2.023,989 17.083,990 20.326,991 9.598,992 35.779,993 16.684,994 3380,995 6150,996 13.523,997 26.063,998 31.147,999 31.095,1000 32.016,1001 30.563,1002 30.517,1003 39.586,1004 5.445,1005 84.283,1006 27.728,1007 5.131,1008 5.609,1009 6.341,1010 5.187,1011 5.108,1012 6.784,1013 3.222,1014 17.652,1015 5.039,1016 10.61,1017 1.483,1018 1.481,1019 1.525,1020 1.455,1021 1.453,1022 1.885,1023 0.259,1024 4.013,1025 1.32,1026 3.974,1027 4,1028 4.208,1029 3.916,1030 4.999,1031 3.905,1032 3.795,1033 3.818,1034 4.004,1035 3.779,1036 4.921,1037 3.703,1038 3.628,1039 3.68,1040 3.642,1041 3.529,1042 4.67,1043 3.508,1044 3.356,1045 3.409,1046 3.224,1047 3.103,1048 4.326,1049 3.117,1050 3.034,1051 3.116,1052 3.211,1053 2.86,1054 4.122,1055 2.84,1056 2.874,1057 3.009,1058 2.749,1059 2.735,1060 3.956,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.638,1066 3.674,1067 2.632,1068 2.787,1069 2.835,1070 2.599,1071 2.618,1072 3.467,1073 2.57,1074 0.206,1075 0.172,1076 0.32,1077 0.194,1078 0.148,1079 4.33,1080 0.18,1081 3.609,1082 0.09,1083 6.723,1084 0.517,1085 4.084,1086 0.145,1087 3.108,1088 3.784,1089 1.897,1090 10.86,1091 3.039,1092 1.941,1093 1.917,1094 2.058,1095 2.025,1096 1.323,1097 2.04,1098 1.658,1099 1.611,1100 1.868,1101 1.801,1102 0.999,1103 1.829,1104 1.382,1105 1.363,1106 1.611,1107 1.645,1108 0.622,1109 1.633,1110 1.355,1111 1.303,1112 1.492,1113 1.509,1114 0.566,1115 1.521,1116 1.147,1117 1.086,1118 1.417,1119 1.347,1120 0.497,1121 1.4,1122 0.978,1123 0.928,1124 1.333,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.181,1131 1.095,1132 0.218,1133 1.148,1134 0.886,1135 0.804,1136 1.015,1137 1.062,1138 0.213,1139 1.107,1140 3.761,1142 5.043,1143 2.398,1144 6.512,1145 4.443,1146 8.069,1147 6.26,1148 9.677,1150 5.947,1151 5.955,1157 5.515,1159 0.441,1164 23.987,1165 62.66,1166 129.186,1167 158.485,1168 162.485,1169 162.485,1170 162.485,1171 31.289,1172 5.999,1173 34.48,1174 62.72,1175 11,1176 11.964,1177 3.7,1178 2.907,1179 36.086,1180 54,1181 60,1182 0.321,1183 159.353,1184 270.21,1185 380.581,1186 2302,1187 2.7,1188 14.535,1189 0.727,1190 0.664,1191 15.389,1192 13.28,1193 9.613,1194 0.458,1195 0.364,1196 6.425,1197 8.553,1198 6.024,1199 5.102,1200 10.356,1201 7.648,1202 8.396,1203 0.3,1204 0.216,1205 9.414,1206 6.052,1207 6.554,1208 0.187,1209 0.112,1210 7.459,1211 3.913,1212 5.415,1213 0.123,1214 0.062,1215 6.18,1216 2.724,1217 3.808,1218 0.083,1219 0.035,1220 4.356,1221 1.607,1222 0.482,1223 67.375,1224 0.272,1225 19.662,1226 0.945,1227 98,1228 290.09,1229 143.734,1230 331.432,1231 440.06,1232 310,1233 112,1234 280.09,1235 145.56,1236 310.857,1237 449.11,1238 289,1239 4}
{0 CHEMBL594974,1 1.875,2 8.333,3 3.904,4 15.237,5 81.939,6 9.281,7 0.478,8 3.668,9 3.765,10 3.468,11 3.332,12 4.805,13 3.276,14 4.215,15 4.351,16 3.943,17 3.75,18 5.356,19 3.677,20 4.505,21 4.702,22 3.823,23 3.822,24 5.616,25 3.717,26 4.516,27 4.716,28 3.808,29 3.772,30 5.707,31 3.684,32 4.53,33 4.744,34 3.741,35 3.773,36 5.65,37 3.656,38 4.466,39 4.697,40 3.817,41 3.75,42 5.62,43 3.577,44 4.216,45 4.408,46 3.694,47 3.547,48 5.411,49 3.377,50 3.883,51 4.086,52 3.087,53 3.046,54 5.203,55 2.905,56 0.063,57 0.561,58 5.055,59 3.311,60 8.78,61 3.759,62 0.212,63 0.975,64 12.794,65 6.067,66 23.318,67 7.057,68 0.367,69 1.135,70 22.897,71 8.685,72 53.829,73 10.316,74 0.482,75 1.067,76 22.011,77 8.024,78 60.137,79 9.503,80 0.429,81 1.109,82 20.687,83 8.413,84 62.02,85 9.683,86 0.497,87 1.057,88 27.293,89 9.326,90 81.341,91 10.449,92 0.404,93 0.854,94 28.154,95 7.745,96 46.555,97 7.914,98 0.344,99 0.731,100 19.247,101 5.298,102 46.345,103 4.997,104 10,105 33,106 0.344,107 0.671,108 0.732,109 0.795,110 0.795,111 0.795,112 3.104,113 1.041,114 -5.17,115 -5.06,116 -4.74,118 42.9,120 4,122 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 10,157 2,159 2,161 2,162 15,166 3,170 3,171 12,174 1,175 6,179 4,181 10,185 5,188 2,190 8,194 4,198 6,201 3,205 1,207 4,219 1,221 1,224 602,225 14.032,226 14.032,227 14.032,228 14.032,229 14.032,230 12.532,231 15.36,232 8.133,233 14.566,234 11.3,235 11.3,236 11.3,237 11.3,238 11.3,239 9.082,240 21.053,241 3.796,242 12.27,243 3.254,244 1.475,245 1.143,246 0.8,247 0.8,248 0.8,249 3.776,250 1,252 1,253 1,254 374,255 3,258 124.309,259 72.468,261 1.238,262 27.328,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 45.833,274 175,275 4.714,276 4.161,277 7.945,278 4.609,279 3.607,280 4.006,281 1.987,282 14.991,283 3.613,284 4.088,285 3.073,286 5.652,287 3.542,288 2.7,289 3.707,290 0.324,291 7.72,292 2.313,293 3.844,294 2.952,295 5.417,296 3.362,297 2.44,298 3.317,300 6.576,301 2.19,302 3.329,303 2.84,304 4.995,305 2.914,306 1.996,307 2.544,309 5.6,310 1.809,311 3.069,312 2.227,313 4.731,314 2.711,315 1.764,316 2.235,318 4.958,319 1.616,320 2.834,321 1.903,322 4.448,323 2.487,324 1.55,325 1.843,326 3.883,327 1.401,328 2.5,329 1.259,330 3.618,331 2,332 1,333 1.5,334 2.275,335 1,336 2.212,337 1,338 3.43,339 1.929,340 0.945,341 1.105,342 2.257,343 0.909,344 2.118,345 0.869,346 3.414,347 1.618,348 0.712,349 1.011,350 1.701,351 0.618,352 1.618,353 0.618,354 3.271,355 1.563,356 0.618,357 0.618,358 1.464,359 0.595,360 1.069,361 0.444,362 2.897,363 0.631,364 -0.216,365 -0.261,366 -0.48,367 -0.146,368 1.022,369 0.343,370 2.765,371 0.58,372 -0.346,373 -0.428,374 -0.893,375 -0.301,376 0.5,377 -0.084,378 2,380 -0.842,381 -1.007,383 -2.006,384 -0.685,385 0.418,386 -0.648,387 1.884,388 -0.036,389 -1,390 -1.196,392 -2.588,393 -0.893,394 0.086,395 -0.737,396 1.656,397 -0.107,398 -1.077,399 -1.5,401 -3,402 -1,403 10.467,404 0.498,405 0.573,406 0.027,407 25.25,408 1.202,409 12,410 0.571,411 13.25,412 0.631,413 18.475,414 0.88,415 22.533,416 0.644,417 15.91,418 0.758,419 4.468,420 0.213,421 5.631,422 0.268,423 0.127,424 0.048,425 0.239,428 1,429 0.568,430 0.963,431 0.594,432 0.801,433 0.496,434 0.815,435 0.458,436 1.029,437 0.621,438 0.997,439 0.501,440 0.946,441 0.748,442 0.928,443 0.868,444 1.005,445 0.756,446 1.055,447 0.795,448 0.708,449 0.741,450 0.851,451 0.92,452 0.974,453 0.954,454 0.803,455 0.677,456 0.793,457 1.061,458 0.972,459 0.663,460 0.791,461 0.97,462 0.946,463 0.606,464 0.895,465 0.953,466 1.073,467 1.796,468 1.495,469 0.737,470 1.201,471 2.177,472 1.676,473 1.977,474 1.45,475 2.014,476 1.358,477 5.5,478 0.049,479 3.111,480 1.625,481 1.002,482 0.712,483 0.47,484 0.213,485 0.159,486 0.057,487 4039,488 14604,489 2.062,490 40,491 8,492 4,494 1,495 1,499 1.637,500 1.924,501 3.016,502 -0.244,504 1,507 65.619,508 1.875,509 3.655,510 3.986,511 4.329,512 4.329,513 4.329,514 2.489,515 3.88,516 4.362,517 3.14,518 659.462,519 7.499,520 6824.52,522 1,523 1,524 1,525 179.525,526 1.565,527 4.311,528 0.239,529 0.016,530 0.094,531 0.052,532 0.033,533 0.026,534 0.019,535 0.011,536 0.014,537 0.009,538 0.515,539 0.5,540 1,541 0.61,542 93.261,543 -0.037,544 -0.011,545 0.025,546 0.058,547 -0.006,548 0.045,549 0.151,550 -0.103,551 0.12,552 -0.083,553 0.074,554 -0.031,555 0.023,556 -0.087,557 -0.047,558 -0.12,559 0.026,560 -0.083,561 0.024,562 0.031,563 -0.003,564 -0.029,565 -0.023,566 -0.037,567 -0.123,568 -0.014,569 0.017,570 0.063,571 -0.113,572 -0.019,573 0.089,574 0.031,575 0.083,576 0.14,577 0.126,578 0.15,579 -0.011,580 -0.121,581 -0.27,582 -0.266,583 0.015,584 -0.154,585 -0.418,586 -0.177,587 -0.539,588 -0.327,589 -0.322,590 -0.368,591 2.072,592 5.731,593 0.762,594 14.635,595 1.018,596 1.123,597 3.936,598 15.49,599 0.721,600 3.178,601 3.526,602 3.807,603 4.043,604 4.111,605 4.159,606 4.19,607 4.127,608 4.007,609 3.714,610 4.918,611 0.681,612 324.83,613 3.178,614 4.727,615 5.587,616 6.482,617 7.365,618 8.265,619 9.158,620 10.061,621 10.959,622 11.865,623 5.7,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 35,650 12,651 1,652 23,654 37,655 15,656 9,657 2,658 4,660 3,661 3,662 1,664 1,665 1,666 4,669 4,671 10,672 5,674 1,677 1,680 1,682 1,683 1,684 14,685 4,686 1,687 6,688 2,691 2,692 1,693 1,703 2,704 1,709 1,717 3,719 1,722 1,723 1,724 21,729 4,730 1,735 1,737 1,740 2,741 2.9,744 1,747 10.917,748 6.236,749 4.583,750 2.202,751 1.591,752 1.251,753 0.976,754 4.161,755 7.942,756 3.418,757 3.984,758 4.49,759 4.983,760 5.26,761 5.358,762 5.605,763 5.642,764 5.691,765 5.766,766 0.833,767 31,768 7.817,770 3.45,771 7.978,772 14.742,774 12.513,776 2.478,777 52.028,781 153.024,782 107.554,783 34.796,784 39.149,785 25.145,786 14.96,787 31.278,788 76.276,789 217.318,790 49.756,792 28.149,793 37.905,794 58.406,795 38.488,797 172.531,798 39.149,799 153.024,800 111.072,801 40.105,802 70.426,804 153.024,805 25.145,806 14.96,807 44.991,808 49.296,809 55.934,810 31.278,811 167.984,812 59.941,813 146.702,815 153.024,816 60.601,817 46.952,818 18.011,819 96.039,820 153.024,821 74.901,822 146.702,823 0.589,824 0.349,825 0.186,826 0.089,827 17,828 7,829 0.081,830 3,832 1,833 3.274,834 164.366,836 16,837 84.239,838 1,840 14.768,841 5.917,842 2.913,844 74.901,845 8.51,846 3.857,849 0.84,850 1.503,851 18.011,852 374.628,853 29.5,856 12.731,859 -0.114,860 35.629,861 39.316,862 0.366,863 0.713,864 0.777,865 0.844,866 0.844,867 0.844,868 4.67,869 0.945,870 5.617,871 2.275,872 4.205,873 4.668,874 2.076,875 6.518,876 4.076,877 5.886,878 0.712,879 7.244,880 2.257,881 4.007,882 4.511,883 1.593,884 8.003,885 3.833,886 7.217,887 0.618,888 9.002,889 1.701,890 5.927,891 6.801,892 3.1,893 11.116,894 5.753,895 8.59,896 -0.216,897 10.853,898 1.464,899 6.621,900 7.447,901 3.168,902 13.52,903 6.475,904 10.002,905 -0.346,906 12.771,907 -0.48,908 8.067,909 9.222,910 4.312,911 16.31,912 7.927,913 11.439,914 -0.842,915 14.736,916 -0.893,917 9.125,918 10.219,919 4.654,920 18.948,921 9.027,922 12.898,923 -1,924 16.736,925 -2.006,926 10.436,927 11.782,928 5.601,929 21.675,930 10.352,931 3.607,932 -1.077,933 18.759,934 -2.588,935 11.634,936 12.95,937 6.091,938 24.366,939 11.578,940 2.7,941 14.991,942 20.797,943 -3,944 12.913,945 14.415,946 6.927,947 27.078,948 12.871,949 2.44,950 7.72,951 22.847,952 4.006,953 14.161,954 15.673,955 7.5,956 29.781,957 14.137,958 1.996,959 6.576,960 24.904,961 3.707,962 15.437,963 17.09,964 8.273,965 32.49,966 15.423,967 1.764,968 5.6,969 26.966,970 3.317,971 16.705,972 18.396,973 8.894,974 35.196,975 16.702,976 1.55,977 4.958,978 29.032,979 2.544,980 17.982,981 19.79,982 9.631,983 37.904,984 17.986,985 1,986 3.883,987 31.099,988 2.235,989 19.258,990 21.123,991 10.279,992 40.611,993 19.269,994 3974,995 7688,996 15.197,997 25.239,998 35,999 35.414,1000 36.508,1001 34.946,1002 34.662,1003 43.774,1004 4.622,1005 102.845,1006 32.128,1007 5.669,1008 6.161,1009 7.5,1010 5.722,1011 5.607,1012 7.006,1013 3.497,1014 22.867,1015 5.613,1016 9.628,1017 1.522,1018 1.54,1019 1.587,1020 1.519,1021 1.507,1022 1.903,1023 0.201,1024 4.472,1025 1.397,1026 4.025,1027 4.054,1028 4.234,1029 3.961,1030 8.201,1031 3.952,1032 3.811,1033 3.833,1034 4.023,1035 3.779,1036 7.428,1037 3.711,1038 3.724,1039 3.764,1040 3.758,1041 3.646,1042 4.939,1043 3.626,1044 3.278,1045 3.314,1046 3.265,1047 3.056,1048 4.765,1049 3.077,1050 2.869,1051 2.979,1052 3.17,1053 2.735,1054 4.373,1055 2.733,1056 2.866,1057 2.925,1058 2.687,1059 2.73,1060 4.104,1061 2.715,1062 2.854,1063 2.91,1064 2.621,1065 2.671,1066 3.706,1067 2.635,1068 2.556,1069 2.625,1070 2.583,1071 2.371,1072 3.674,1073 2.349,1074 0.205,1075 0.181,1076 0.345,1077 0.2,1078 0.157,1079 4.714,1080 0.174,1081 4.161,1082 0.086,1083 7.945,1084 0.652,1085 4.609,1086 0.157,1087 3.607,1088 4.006,1089 1.987,1090 14.991,1091 3.613,1092 1.937,1093 1.917,1094 2.027,1095 2.011,1096 1.311,1097 2.021,1098 1.577,1099 1.541,1100 1.86,1101 1.751,1102 1.211,1103 1.793,1104 1.571,1105 1.507,1106 1.719,1107 1.734,1108 0.932,1109 1.729,1110 1.323,1111 1.318,1112 1.431,1113 1.536,1114 0.488,1115 1.514,1116 1.268,1117 1.221,1118 1.247,1119 1.406,1120 0.36,1121 1.431,1122 0.886,1123 0.821,1124 1.181,1125 1.062,1126 0.218,1127 1.107,1128 0.762,1129 0.722,1130 0.919,1131 0.976,1132 0.123,1133 0.976,1134 0.676,1135 0.668,1136 0.883,1137 0.837,1138 0.094,1139 0.859,1140 3.85,1142 5.187,1143 3.045,1144 6.718,1145 5.283,1146 8.342,1147 7.273,1148 10.02,1151 5.925,1152 13.008,1155 3.577,1156 2.754,1161 -0.563,1164 23.843,1165 65.619,1166 127.915,1167 139.525,1168 151.525,1169 151.525,1170 151.525,1171 43.914,1172 6.351,1173 41.99,1174 70.23,1175 16,1176 12.385,1177 3.7,1178 2.907,1179 31.992,1180 58,1181 66,1182 0.264,1183 153.158,1184 263.92,1185 365.465,1186 3554,1187 5.7,1188 14.872,1189 0.708,1190 0.61,1191 14.855,1192 12.807,1193 10.099,1194 0.439,1195 0.347,1196 6.819,1197 9.047,1198 6.595,1199 5.41,1200 10.448,1201 7.984,1202 9.318,1203 0.282,1204 0.201,1205 9.702,1206 6.637,1207 7.835,1208 0.178,1209 0.112,1210 8.412,1211 4.94,1212 6.445,1213 0.115,1214 0.064,1215 6.936,1216 3.589,1217 4.471,1218 0.075,1219 0.035,1220 4.638,1221 2.073,1222 0.398,1223 70.158,1224 0.257,1225 20.47,1226 0.775,1227 112,1228 384.888,1229 166.074,1230 397.723,1231 518.16,1232 368,1233 133,1234 330.294,1235 170.739,1236 354.37,1237 521.4,1238 333,1239 5.301}
{0 CHEMBL594998,1 1.927,2 8.4,3 3.282,4 10.773,5 77.386,6 9.713,7 0.5,8 3.592,9 3.683,10 3.431,11 3.267,12 4.759,13 3.217,14 4.079,15 4.208,16 3.837,17 3.596,18 5.28,19 3.522,20 4.283,21 4.47,22 3.695,23 3.617,24 5.476,25 3.531,26 4.267,27 4.444,28 3.711,29 3.59,30 5.511,31 3.518,32 4.331,33 4.522,34 3.604,35 3.592,36 5.535,37 3.501,38 4.282,39 4.499,40 3.681,41 3.581,42 5.505,43 3.426,44 4.067,45 4.267,46 3.623,47 3.42,48 5.271,49 3.264,50 3.733,51 3.902,52 3.068,53 3.007,54 5.042,55 2.864,56 0.077,57 0.52,58 3.904,59 2.917,60 9.72,61 3.171,62 0.214,63 0.861,64 10.008,65 5.148,66 21.338,67 5.684,68 0.396,69 0.929,70 19.222,71 6.89,72 54.524,73 7.612,74 0.372,75 0.861,76 15.895,77 6.264,78 41.825,79 7.226,80 0.432,81 0.928,82 16.049,83 6.672,84 58.891,85 6.878,86 0.468,87 0.881,88 20.077,89 7.417,90 77.653,91 8.327,92 0.393,93 0.768,94 23.245,95 6.765,96 47.524,97 6.599,98 0.254,99 0.603,100 15.856,101 4.522,102 29.035,103 4.356,104 10,105 31,106 0.361,107 0.719,108 0.808,109 0.831,110 0.831,111 0.831,112 3.058,113 1.023,114 -4.92,115 -4.82,116 -4.53,118 43.8,120 2,121 2,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,157 2,159 2,161 2,162 11,166 2,170 2,171 10,174 1,175 6,179 4,181 8,185 4,188 2,190 7,194 4,198 5,201 3,205 1,207 4,219 1,221 1,224 530,225 13.378,226 13.378,227 13.378,228 13.378,229 13.378,230 11.85,231 14.502,232 7.814,233 13.911,234 10.854,235 10.854,236 10.854,237 10.854,238 10.854,239 8.602,240 18.818,241 3.733,242 11.823,243 3.073,244 1.16,245 0.688,246 0.563,247 0.563,248 0.563,249 3.718,250 1,252 1,253 1,254 361,255 3.082,256 41.083,258 62.698,259 71.63,261 1.24,262 26.134,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 43.833,274 168,275 4.33,276 3.83,277 6.769,278 4.166,279 3.166,280 3.768,281 1.987,282 11.061,283 3.166,284 4.082,285 3.023,286 5.6,287 3.546,288 2.699,289 3.69,290 0.324,291 7.709,292 2.375,293 3.823,294 2.948,295 5.377,296 3.433,297 2.48,298 3.171,300 6.846,301 2.306,302 3.406,303 2.801,304 5.105,305 3.164,306 2.208,307 2.546,309 6.088,310 2.045,311 3.287,312 2.314,313 4.876,314 2.867,315 1.957,316 2.453,318 5.5,319 1.707,320 2.998,321 2.227,322 4.535,323 2.516,324 1.614,325 2.123,326 4.509,327 1.409,328 2.5,329 1.159,330 3.592,331 2,332 1,333 1.5,334 2.275,335 1,336 2.208,337 1,338 3.414,339 1.63,340 0.747,341 1.072,342 1.818,343 0.641,344 1.828,345 0.866,346 3.268,347 1.52,348 0.581,349 0.682,350 1.542,351 0.53,352 1.022,353 0.443,354 2.599,355 0.638,356 -0.232,357 -0.273,358 -0.52,359 -0.163,360 1.017,361 0.274,362 2.472,363 0.584,364 -0.345,365 -0.417,366 -0.884,367 -0.303,368 0.5,369 -0.096,370 2,371 0.16,372 -0.808,373 -0.897,374 -1.995,375 -0.667,376 0.423,377 -0.498,378 2,380 -0.849,381 -1,383 -2.006,384 -0.744,385 0.312,386 -0.722,387 1.76,389 -1,390 -1.055,392 -3,393 -1,395 -1,396 1.603,397 -0.041,398 -1,399 -1.5,401 -3,402 -1,403 9.967,404 0.498,405 0.541,406 0.027,407 24.75,408 1.238,409 12,410 0.6,411 12.75,412 0.638,413 15.834,414 0.792,415 21.233,416 0.664,417 15.105,418 0.755,419 4.499,420 0.225,421 5.132,422 0.257,423 0.134,425 0.351,428 1,429 0.572,430 0.936,431 0.58,432 0.769,433 0.498,434 0.778,435 0.494,436 1.103,437 0.671,438 1.086,439 0.537,440 1.041,441 0.902,442 0.855,443 0.946,444 0.93,445 0.915,446 0.955,447 0.665,448 0.769,449 0.743,450 0.939,451 0.771,452 1.017,453 1.117,454 0.802,455 0.777,456 0.825,457 1.222,458 0.996,459 0.675,460 0.794,461 0.867,462 0.863,463 0.655,464 0.929,465 0.868,466 0.956,467 1.525,468 1.324,469 0.713,470 1.006,471 1.669,472 1.616,473 2.052,474 1.654,475 1.429,476 1.555,477 4.5,478 0.049,479 1.833,480 1.625,481 0.962,482 0.618,483 0.399,484 0.213,485 0.159,486 0.057,487 3760,488 14015,489 2.077,490 37.5,491 5,492 4,494 1,495 1,496 1,499 1.621,500 1.935,501 3.033,502 -0.222,504 1,506 1,507 61.677,508 1.927,509 3.84,510 4.313,511 4.438,512 4.438,513 4.438,514 2.504,515 3.684,516 4.293,517 3.166,518 601.62,519 7.351,520 6137.71,521 1,522 1,523 1,524 1,525 160,526 1.441,527 4.248,528 0.205,529 0.016,530 0.065,531 0.06,532 0.036,533 0.026,534 0.018,535 0.011,536 0.014,537 0.009,538 0.461,539 0.33,540 1,541 0.627,542 88.097,543 -0.043,544 -0.01,545 0.02,546 0.06,547 -0.008,548 0.047,549 0.148,550 -0.187,551 0.091,552 -0.177,553 0.067,554 -0.147,555 -0.033,556 0.01,557 -0.063,558 -0.025,559 -0.032,560 0.015,561 0.098,562 -0.03,563 0.012,564 -0.112,565 0.04,566 -0.081,567 -0.209,568 0.008,569 -0.08,570 0.032,571 -0.17,572 -0.068,573 0.104,575 0.108,576 0.148,577 0.13,578 0.118,579 0.022,580 0.026,581 -0.121,582 -0.073,583 0.035,584 0.065,585 -0.319,586 -0.381,587 -0.614,588 -0.547,589 -0.215,590 -0.562,591 2.074,592 5.389,593 0.7,594 13.65,595 1.023,596 1.122,597 3.689,598 13.612,599 0.734,600 3.135,601 3.466,602 3.638,603 3.892,604 3.97,605 3.912,606 4.007,607 3.932,608 3.761,609 3.434,610 4.996,611 0.697,612 310.8,613 3.135,614 4.673,615 5.517,616 6.399,617 7.261,618 8.146,619 9.016,620 9.903,621 10.779,622 11.667,623 6.3,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 32,650 12,651 1,652 22,654 34,655 14,656 9,657 2,658 4,660 3,661 3,662 1,666 2,667 1,669 2,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,683 1,684 12,685 4,686 1,687 6,688 2,691 2,692 1,693 1,701 1,703 1,704 1,709 1,717 3,719 1,722 1,723 1,724 20,729 2,730 1,733 2,737 1,740 2,741 3.1,744 1,747 10.333,748 5.652,749 4.333,750 1.938,751 1.668,752 1.27,753 0.989,754 3.925,755 7.846,756 3.384,757 3.946,758 4.384,759 4.909,760 5.186,761 5.187,762 5.466,763 5.518,764 5.536,765 5.602,766 0.833,767 27,768 7.426,770 3.277,771 8.022,772 13.947,774 11.839,776 2.522,777 50.444,781 129.482,782 102.485,783 34.796,784 39.149,785 25.145,786 14.96,787 31.278,788 71.207,789 193.776,790 49.756,792 23.08,793 37.905,794 58.406,795 38.488,797 148.989,798 39.149,799 129.482,800 106.003,801 40.105,802 70.426,804 129.482,805 25.145,806 14.96,807 39.922,808 49.296,809 55.934,810 31.278,811 144.442,812 59.941,813 141.633,815 129.482,816 55.532,817 46.952,818 18.011,819 96.039,820 129.482,821 74.901,822 141.633,823 0.587,824 0.314,825 0.171,826 0.086,827 16,828 7,829 0.118,830 4,832 1,833 3.299,834 148.752,836 14,837 80.439,838 1,840 13.81,841 5.684,842 3.499,844 74.901,845 8.403,846 3.816,849 0.832,850 1.471,851 18.011,852 346.017,853 28.5,856 12.389,859 -0.135,860 32.745,861 35.901,862 0.385,863 0.768,864 0.863,865 0.888,866 0.888,867 0.888,868 4.623,869 0.747,870 5.509,871 2.275,872 4.143,873 4.63,874 2.076,875 6.312,876 4.006,877 5.832,878 0.581,879 7.067,880 1.818,881 3.892,882 4.443,883 1.593,884 7.277,885 3.694,886 7.134,887 -0.232,888 8.724,889 1.542,890 5.753,891 6.723,892 3.1,893 10.319,894 5.54,895 8.461,896 -0.345,897 10.437,898 -0.52,899 6.236,900 7.253,901 3.168,902 12.11,903 6.005,904 9.814,905 -0.808,906 12.19,907 -0.884,908 7.64,909 9.057,910 4.312,911 14.728,912 7.408,913 11.184,914 -0.849,915 13.971,916 -1.995,917 8.459,918 9.93,919 4.654,920 16.88,921 8.238,922 12.567,923 -1,924 15.775,925 -2.006,926 9.688,927 11.516,928 5.601,929 19.357,930 9.474,931 3.166,932 -1,933 17.599,934 -3,935 10.671,936 12.574,937 6.091,938 21.661,939 10.479,940 2.699,941 11.061,942 19.438,943 -3,944 11.834,945 14.046,946 6.927,947 24.089,948 11.655,949 2.48,950 7.709,951 21.291,952 3.768,953 12.897,954 15.208,955 7.5,956 26.453,957 12.741,958 2.208,959 6.846,960 23.155,961 3.69,962 14.039,963 16.616,964 8.273,965 28.864,966 13.896,967 1.957,968 6.088,969 25.028,970 3.171,971 15.142,972 17.839,973 8.894,974 31.252,975 15.018,976 1.614,977 5.5,978 26.908,979 2.546,980 16.278,981 19.21,982 9.631,983 33.658,984 16.169,985 1,986 4.509,987 28.794,988 2.453,989 17.402,990 20.47,991 10.279,992 36.055,993 17.307,994 3674,995 7213,996 14.622,997 23.477,998 33.607,999 34.284,1000 34.346,1001 33.075,1002 32.904,1003 42.01,1004 4.622,1005 94.695,1006 30.359,1007 5.292,1008 5.83,1009 6.184,1010 5.277,1011 5.166,1012 6.768,1013 3.497,1014 17.926,1015 5.166,1016 9.373,1017 1.528,1018 1.558,1019 1.561,1020 1.503,1021 1.496,1022 1.91,1023 0.21,1024 4.304,1025 1.38,1026 4.023,1027 4.054,1028 4.233,1029 3.955,1030 8.201,1031 3.945,1032 3.811,1033 3.833,1034 4.017,1035 3.779,1036 7.428,1037 3.714,1038 3.781,1039 3.82,1040 3.783,1041 3.709,1042 4.939,1043 3.685,1044 3.346,1045 3.375,1046 3.375,1047 3.145,1048 4.765,1049 3.165,1050 2.874,1051 2.925,1052 3.178,1053 2.735,1054 4.368,1055 2.736,1056 2.854,1057 2.917,1058 2.687,1059 2.731,1060 4.166,1061 2.715,1062 2.527,1063 2.572,1064 2.622,1065 2.334,1066 3.724,1067 2.315,1068 2.262,1069 2.339,1070 2.538,1071 2.087,1072 3.674,1073 2.007,1074 0.197,1075 0.174,1076 0.308,1077 0.189,1078 0.144,1079 4.33,1080 0.171,1081 3.83,1082 0.09,1083 6.769,1084 0.503,1085 4.166,1086 0.144,1087 3.166,1088 3.768,1089 1.987,1090 11.061,1091 3.166,1092 1.921,1093 1.9,1094 2.012,1095 1.995,1096 1.245,1097 2.006,1098 1.511,1099 1.484,1100 1.63,1101 1.708,1102 0.89,1103 1.686,1104 1.323,1105 1.312,1106 1.513,1107 1.511,1108 0.825,1109 1.493,1110 1.227,1111 1.188,1112 1.421,1113 1.376,1114 0.493,1115 1.429,1116 1.153,1117 1.064,1118 1.243,1119 1.35,1120 0.389,1121 1.385,1122 0.886,1123 0.821,1124 1.181,1125 1.062,1126 0.242,1127 1.107,1128 0.805,1129 0.756,1130 0.993,1131 1.008,1132 0.218,1133 1.031,1134 0.678,1135 0.668,1136 0.735,1137 0.849,1139 0.861,1140 3.807,1141 1.946,1142 5.13,1143 3.932,1144 6.632,1145 5.82,1146 8.215,1147 7.656,1148 9.844,1151 5.873,1152 12.907,1155 2.069,1156 2.693,1159 0.125,1164 22.316,1165 61.677,1166 122.881,1167 138,1168 142,1169 142,1170 142,1171 38.847,1172 6.178,1173 41.99,1174 70.23,1175 14,1176 12.2,1177 3.7,1178 2.907,1179 29.841,1180 57,1181 60,1182 0.251,1183 143.565,1184 246.62,1185 342.06,1186 2933,1187 6.3,1188 14.113,1189 0.706,1190 0.602,1191 14.096,1192 12.048,1193 9.631,1194 0.438,1195 0.341,1196 6.339,1197 8.576,1198 6.135,1199 5.024,1200 9.98,1201 7.504,1202 8.932,1203 0.288,1204 0.201,1205 9.316,1206 6.243,1207 6.648,1208 0.18,1209 0.107,1210 7.225,1211 3.977,1212 5.592,1213 0.116,1214 0.059,1215 6.089,1216 2.81,1217 4.022,1218 0.077,1219 0.033,1220 4.181,1221 1.711,1222 0.383,1223 67.35,1224 0.262,1225 19.804,1226 0.718,1227 106,1228 378.888,1229 160.074,1230 391.277,1231 507.02,1232 362,1233 124,1234 319.294,1235 161.24,1236 342.685,1237 501.92,1238 322,1239 5.921}
{0 CHEMBL595000,1 1.827,2 8.364,3 4.36,4 19.007,5 86.54,6 8.917,7 0.458,8 3.739,9 3.841,10 3.504,11 3.393,12 4.847,13 3.333,14 4.296,15 4.441,16 3.969,17 3.81,18 5.399,19 3.729,20 4.613,21 4.819,22 3.894,23 3.927,24 5.674,25 3.817,26 4.667,27 4.88,28 3.87,29 3.909,30 5.783,31 3.8,32 4.683,33 4.912,34 3.851,35 3.898,36 5.766,37 3.779,38 4.618,39 4.845,40 3.902,41 3.892,42 5.755,43 3.723,44 4.429,45 4.642,46 3.823,47 3.735,48 5.537,49 3.548,50 4.119,51 4.334,52 3.322,53 3.308,54 5.349,55 3.143,56 0.051,57 0.602,58 6.183,59 3.699,60 8.031,61 4.338,62 0.206,63 1.043,64 15.065,65 6.747,66 23.415,67 8.103,68 0.351,69 1.249,70 25.981,71 9.747,72 52.973,73 11.946,74 0.477,75 1.226,76 26.106,77 9.539,78 63.323,79 11.865,80 0.433,81 1.265,82 25.823,83 9.887,84 66.552,85 11.921,86 0.533,87 1.213,88 30.177,89 10.378,90 88.524,91 11.844,92 0.421,93 1.038,94 32.958,95 9.496,96 49.651,97 10.344,98 0.37,99 0.873,100 25.203,101 6.885,102 49.813,103 6.776,104 10,105 34,106 0.33,107 0.641,108 0.701,109 0.779,110 0.805,111 0.805,112 3.148,113 1.06,114 -5.41,115 -5.29,116 -4.94,118 42.1,120 5,122 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 11,157 2,159 2,161 2,162 16,166 3,170 3,171 15,174 1,175 6,179 4,181 11,185 6,188 3,190 10,194 4,198 8,201 4,205 1,207 5,215 1,219 1,221 1,224 702,225 14.739,226 14.739,227 14.739,228 14.739,229 14.739,230 13.239,231 15.36,232 8.633,233 15.274,234 11.8,235 11.8,236 11.8,237 11.8,238 11.8,239 9.582,240 21.053,241 4.046,242 12.77,243 3.421,244 1.696,245 1.368,246 0.934,247 0.789,248 0.789,249 3.823,250 1,253 1,254 392,255 3,258 66.992,259 150.046,261 1.215,262 27.93,264 1,265 0.75,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.86,273 47.833,274 184,275 4.71,276 4.159,277 7.944,278 4.603,279 3.601,280 4.004,281 1.987,282 14.987,283 3.607,284 4.088,285 3.072,286 5.652,287 3.542,288 2.699,289 3.707,290 0.324,291 7.719,292 2.313,293 3.843,294 2.952,295 5.417,296 3.361,297 2.439,298 3.315,300 6.574,301 2.189,302 3.328,303 2.838,304 4.995,305 2.916,306 1.996,307 2.544,309 5.599,310 1.821,311 3.068,312 2.227,313 4.725,314 2.752,315 1.79,316 2.233,318 4.948,319 1.669,320 2.853,321 1.912,322 4.439,323 2.53,324 1.606,325 1.864,326 3.894,327 1.431,328 2.5,329 1.448,330 3.732,331 2.096,332 1.11,333 1.5,334 2.731,335 1.068,336 2.348,337 1,338 3.572,339 2,340 1,341 1.294,342 2.275,343 1,344 2.201,345 1,346 3.414,347 2,348 1,349 1.052,350 2.23,351 1,352 2,353 0.87,354 3.273,355 1.566,356 0.717,357 1,358 1.71,359 0.598,360 1.111,361 0.444,362 2.955,363 0.739,364 -0.147,365 -0.172,366 -0.327,367 -0.106,368 1.022,369 0.384,370 2.888,371 0.589,372 -0.321,373 -0.386,374 -0.837,375 -0.276,376 0.505,377 -0.057,378 2,379 0.318,380 -0.645,381 -0.73,383 -1.417,384 -0.57,385 0.5,386 -0.326,387 2,389 -0.843,390 -1,392 -2.006,393 -0.698,394 0.405,395 -0.72,396 1.898,398 -1,399 -1.031,401 -2.508,402 -1,403 10.967,404 0.498,405 0.573,406 0.026,407 25.75,408 1.17,409 12,410 0.545,411 13.75,412 0.625,413 20.546,414 0.934,415 23.833,416 0.627,417 16.402,418 0.746,419 4.468,420 0.203,421 6.131,422 0.279,423 0.122,424 0.046,425 0.228,428 1,429 0.565,430 0.987,431 0.609,432 0.831,433 0.493,434 0.849,435 0.453,436 1.048,437 0.634,438 1.015,439 0.493,440 0.973,441 0.712,442 0.907,443 0.829,444 0.97,445 0.72,446 1.011,447 0.728,448 0.742,449 0.729,450 0.883,451 0.836,452 1.014,453 0.913,454 0.79,455 0.626,456 0.76,457 1.032,458 0.899,459 0.764,460 0.797,461 0.976,462 0.941,463 0.738,464 0.941,465 0.828,466 1.035,467 1.583,468 1.383,469 0.643,470 1.147,471 1.925,472 1.489,473 1.954,474 1.436,475 1.726,476 1.257,477 5.5,478 0.049,479 3.111,480 1.944,481 0.884,482 0.854,483 0.495,484 0.262,485 0.185,486 0.072,487 4513,488 15568,489 2.059,490 42.1,491 10,492 4,494 1,495 1,499 1.652,500 1.927,501 3.029,502 -0.265,504 1,507 69.421,508 1.827,509 3.552,510 3.88,511 4.313,512 4.458,513 4.458,514 2.478,515 3.971,516 4.429,517 3.151,518 727.83,519 7.644,520 7811.88,522 1,524 1,525 199.421,526 1.529,527 4.381,528 0.229,529 0.016,530 0.092,531 0.057,532 0.028,533 0.028,534 0.018,535 0.011,536 0.013,537 0.01,538 0.502,539 0.5,540 1,541 0.595,542 99.221,543 -0.032,544 -0.011,545 0.028,546 0.056,548 0.043,549 0.154,550 -0.108,551 0.119,552 -0.084,553 0.08,554 -0.037,555 0.037,556 -0.059,557 -0.02,558 -0.081,559 0.039,560 -0.036,561 0.043,562 0.002,563 -0.004,564 -0.056,565 0.006,566 -0.067,567 -0.085,568 -0.005,569 0.069,570 0.094,571 -0.085,572 0.056,573 0.029,574 0.037,575 0.018,576 0.101,577 0.066,578 0.061,579 0.029,580 -0.115,581 -0.158,582 -0.185,583 0.035,584 -0.098,585 -0.342,586 -0.116,587 -0.454,588 -0.257,589 -0.247,590 -0.247,591 2.07,592 5.884,593 0.773,594 15.736,595 1.013,596 1.125,597 4.176,598 17.439,599 0.711,600 3.219,601 3.555,602 3.829,603 4.06,604 4.205,605 4.22,606 4.304,607 4.22,608 4.143,609 3.97,610 4.999,611 0.668,612 338.86,613 3.219,614 4.762,615 5.617,616 6.506,617 7.385,618 8.281,619 9.17,620 10.07,621 10.965,622 11.867,623 5.3,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 38,650 12,651 1,652 24,654 40,655 16,656 9,657 2,658 4,660 3,661 3,662 1,664 1,665 1,666 5,669 5,671 10,672 6,674 1,677 1,680 1,682 1,683 1,684 16,685 4,686 1,687 6,688 2,691 2,692 1,693 1,703 1,704 2,709 1,717 3,719 1,722 1,723 1,724 22,729 5,730 1,735 1,737 1,740 2,741 2.6,744 1,747 11.417,748 6.736,749 4.833,750 2.452,751 1.544,752 1.239,753 0.97,754 4.67,755 8.003,756 3.45,757 4.003,758 4.501,759 4.99,760 5.29,761 5.376,762 5.648,763 5.68,764 5.755,765 5.892,766 0.833,767 34,768 8.201,770 3.599,771 7.933,772 15.558,774 13.18,776 2.433,777 53.528,781 176.567,782 110.088,783 34.796,784 39.149,785 25.145,786 14.96,787 31.278,788 78.81,789 240.86,790 49.756,792 30.683,793 37.905,794 58.406,795 38.488,797 196.073,798 39.149,799 176.567,800 113.607,801 40.105,802 70.426,804 176.567,805 25.145,806 14.96,807 47.525,808 49.296,809 55.934,810 31.278,811 191.527,812 59.941,813 149.237,815 176.567,816 63.136,817 46.952,818 18.011,819 96.039,820 176.567,821 74.901,822 149.237,823 0.585,824 0.345,825 0.186,826 0.097,827 17,828 7,829 0.075,830 3,832 1,833 3.345,834 175.361,836 17,837 90.107,838 1,840 15.729,841 6.532,842 3.296,844 74.901,845 8.564,846 3.88,849 0.846,850 1.518,851 18.011,852 400.705,853 30.5,856 12.884,859 -0.108,860 38.513,861 42.731,862 0.348,863 0.677,864 0.739,865 0.822,866 0.85,867 0.85,868 4.698,869 1,870 5.638,871 2.731,872 4.234,873 4.687,874 2.076,875 6.529,876 4.109,877 5.906,878 1,879 7.258,880 2.275,881 4.007,882 4.511,883 1.593,884 8.003,885 3.833,886 7.231,887 0.717,888 9.011,889 2.23,890 5.943,891 6.808,892 3.1,893 11.117,894 5.772,895 8.598,896 -0.147,897 10.858,898 1.71,899 6.608,900 7.441,901 3.168,902 13.518,903 6.459,904 10.005,905 -0.321,906 12.773,907 -0.327,908 8.069,909 9.222,910 4.312,911 16.309,912 7.93,913 11.439,914 -0.645,915 14.737,916 -0.837,917 9.112,918 10.214,919 4.654,920 18.947,921 9.012,922 12.895,923 -0.843,924 16.735,925 -1.417,926 10.429,927 11.78,928 5.601,929 21.673,930 10.344,931 3.601,932 -1,933 18.758,934 -2.006,935 11.618,936 12.946,937 6.091,938 24.364,939 11.562,940 2.699,941 14.987,942 20.796,943 -2.508,944 12.899,945 14.412,946 6.927,947 27.076,948 12.857,949 2.439,950 7.719,951 22.845,952 4.004,953 14.144,954 15.667,955 7.5,956 29.779,957 14.119,958 1.996,959 6.574,960 24.902,961 3.707,962 15.418,963 17.085,964 8.273,965 32.487,966 15.404,967 1.79,968 5.599,969 26.964,970 3.315,971 16.684,972 18.39,973 8.894,974 35.194,975 16.68,976 1.606,977 4.948,978 29.029,979 2.544,980 17.959,981 19.784,982 9.631,983 37.901,984 17.963,985 1.11,986 3.894,987 31.097,988 2.233,989 19.233,990 21.116,991 10.279,992 40.608,993 19.244,994 4439,995 8398,996 15.89,997 27,998 36.46,999 36.982,1000 38.013,1001 36.146,1002 35.919,1003 45.028,1004 4.622,1005 105.336,1006 33.392,1007 5.71,1008 6.159,1009 7.676,1010 5.712,1011 5.601,1012 7.004,1013 3.497,1014 22.864,1015 5.607,1016 9.929,1017 1.519,1018 1.541,1019 1.584,1020 1.506,1021 1.497,1022 1.876,1023 0.193,1024 4.389,1025 1.391,1026 4.02,1027 4.049,1028 4.234,1029 3.955,1030 8.201,1031 3.946,1032 3.811,1033 3.833,1034 4.02,1035 3.779,1036 7.428,1037 3.711,1038 3.737,1039 3.78,1040 3.752,1041 3.656,1042 4.939,1043 3.634,1044 3.347,1045 3.381,1046 3.33,1047 3.165,1048 4.765,1049 3.174,1050 3.111,1051 3.206,1052 3.178,1053 2.941,1054 4.369,1055 2.91,1056 2.934,1057 2.998,1058 2.866,1059 2.738,1060 4.127,1061 2.754,1062 2.854,1063 2.925,1064 2.687,1065 2.735,1066 3.723,1067 2.715,1068 2.668,1069 2.727,1070 2.679,1071 2.519,1072 3.674,1073 2.495,1074 0.196,1075 0.173,1076 0.331,1077 0.192,1078 0.15,1079 4.71,1080 0.167,1081 4.159,1082 0.083,1083 7.944,1084 0.624,1085 4.603,1086 0.15,1087 3.601,1088 4.004,1089 1.987,1090 14.987,1091 3.607,1092 1.988,1093 1.961,1094 2.127,1095 2.083,1096 1.503,1097 2.099,1098 1.755,1099 1.714,1100 1.916,1101 1.863,1102 1.081,1103 1.89,1104 1.397,1105 1.373,1106 1.513,1107 1.646,1108 0.825,1109 1.613,1110 1.323,1111 1.296,1112 1.509,1113 1.484,1114 0.746,1115 1.477,1116 1.153,1117 1.094,1118 1.4,1119 1.376,1120 0.481,1121 1.429,1122 1.127,1123 1.064,1124 1.194,1125 1.254,1126 0.344,1127 1.297,1128 0.886,1129 0.821,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.682,1135 0.668,1136 0.893,1137 0.917,1138 0.071,1139 0.913,1140 3.892,1142 5.22,1143 2.398,1144 6.756,1145 4.595,1146 8.388,1147 6.529,1148 10.074,1151 5.958,1152 13.073,1155 4.71,1156 2.782,1161 -0.578,1164 25.37,1165 69.421,1166 134.983,1167 147.447,1168 163.911,1169 169.421,1170 169.421,1171 47.542,1172 6.458,1173 41.99,1174 70.23,1175 17,1176 12.389,1177 3.7,1178 2.907,1179 34.188,1180 61,1181 72,1182 0.264,1183 162.75,1184 281.22,1185 388.87,1186 4096,1187 5.3,1188 15.579,1189 0.708,1190 0.614,1191 15.562,1192 13.514,1193 10.599,1194 0.442,1195 0.353,1196 7.319,1197 9.547,1198 7.085,1199 5.826,1200 10.948,1201 8.484,1202 9.672,1203 0.284,1204 0.206,1205 10.056,1206 6.991,1207 8.085,1208 0.18,1209 0.115,1210 8.662,1211 5.19,1212 6.622,1213 0.116,1214 0.066,1215 7.113,1216 3.765,1217 5.001,1218 0.076,1219 0.039,1220 5.168,1221 2.603,1222 0.397,1223 73.158,1224 0.251,1225 21.289,1226 0.781,1227 116,1228 388.888,1229 170.074,1230 401.885,1231 523.92,1232 372,1233 137,1234 334.294,1235 174.739,1236 358.531,1237 527.16,1238 337,1239 5.071}
{0 CHEMBL595001,1 1.933,2 9.261,3 2.144,4 4.596,5 86.336,6 9.328,7 0.44,8 3.758,9 3.835,10 3.705,11 3.432,12 4.882,13 3.358,14 4.283,15 4.404,16 4.001,17 3.752,18 5.68,19 3.678,20 4.493,21 4.659,22 3.869,23 3.793,24 5.801,25 3.718,26 4.507,27 4.67,28 3.892,29 3.796,30 5.84,31 3.727,32 4.578,33 4.783,34 3.721,35 3.766,36 5.786,37 3.662,38 4.426,39 4.654,40 3.762,41 3.708,42 5.582,43 3.544,44 4.262,45 4.438,46 3.785,47 3.629,48 5.391,49 3.491,50 4.233,51 4.369,52 3.648,53 3.426,54 5.89,55 3.354,56 0.123,57 0.641,58 7.531,59 4.323,60 24.246,61 4.124,62 0.377,63 1.047,64 17.239,65 7.29,66 62.371,67 7.399,68 0.579,69 1.147,70 22.429,71 8.62,72 95.355,73 8.694,74 0.515,75 1.095,76 19.421,77 8.227,78 68.612,79 8.967,80 0.645,81 1.136,82 22.615,83 8.702,84 99.417,85 9.484,86 0.54,87 1.045,88 23.737,89 8.858,90 98.868,91 10.045,92 0.399,93 0.996,94 24.784,95 8.15,96 70.708,97 7.613,98 0.584,99 0.953,100 20.233,101 7.236,102 110.49,103 6.477,104 27,105 37,106 0.345,107 0.692,108 0.802,109 0.821,110 0.821,111 0.821,112 3.188,113 1.173,114 -3.98,115 -3.93,116 -3.73,118 39.5,120 2,121 2,123 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,156 1,157 2,159 2,161 2,162 9,166 6,170 2,171 8,174 1,175 10,179 4,181 7,185 6,188 2,190 6,194 6,198 4,201 4,207 2,210 2,211 4,212 2,224 779,225 14.85,226 14.85,227 14.85,228 14.85,229 14.85,230 13.074,231 16.053,232 8.445,233 15.491,234 12.329,235 12.329,236 12.329,237 12.329,238 12.329,239 9.587,240 20.661,241 4,242 13.451,243 3.315,244 1.372,245 0.757,246 0.651,247 0.651,248 0.651,249 3.846,252 1,253 1,254 449,255 3.937,256 49.416,258 75.813,259 84.202,261 1.599,262 40.874,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 51.5,274 213,275 4.802,276 5.18,277 7.112,278 4.21,279 3.319,280 4.661,281 2.95,282 11.663,283 3.169,284 4.313,285 3.83,286 6.768,287 4.125,288 3.152,289 3.741,290 1.987,291 11.052,292 2.821,293 4.075,294 3.01,295 5.599,296 3.544,297 2.698,298 3.619,299 0.324,300 7.708,301 2.342,302 3.641,303 2.879,304 5.346,305 3.324,306 2.331,307 2.977,309 6.721,310 2.266,311 3.406,312 2.639,313 5.048,314 3.084,315 2.121,316 2.498,318 5.872,319 2.006,320 3.089,321 2.312,322 4.638,323 2.636,324 1.725,325 2.253,326 4.873,327 1.564,328 2.965,329 2.227,330 4.504,331 2.451,332 1.495,333 2.091,334 4.35,335 1.385,336 2.5,337 1.245,338 3.602,339 2,340 1,341 1.5,342 2.275,343 1,344 2.208,345 1,346 3.414,347 1.614,348 0.741,349 1.071,350 1.796,351 0.633,352 1.791,353 0.872,354 3.268,355 1.503,356 0.537,357 0.631,358 1.486,359 0.513,360 1.022,361 0.692,362 2.799,363 0.584,364 -0.342,365 -0.417,366 -0.882,367 -0.299,368 1,369 0.368,370 2.599,371 0.54,372 -0.436,373 -0.518,374 -1.065,375 -0.417,376 0.876,377 -0.042,378 2.306,379 0.118,380 -0.838,381 -0.977,383 -2.006,384 -0.678,385 0.5,386 -0.11,387 2,389 -0.9,390 -1,392 -2.232,393 -0.779,394 0.423,395 -0.498,396 2,398 -1,399 -1.113,401 -3,402 -0.903,403 11.252,404 0.489,405 0.83,406 0.036,407 29.5,408 1.283,409 15,410 0.652,411 14.5,412 0.63,413 18.539,414 0.806,415 25.348,416 0.667,417 20.707,418 0.9,419 5.22,420 0.227,421 5.622,422 0.244,423 0.159,424 0.074,425 0.311,428 1,429 0.498,430 1.017,431 0.768,432 1.041,433 0.571,434 0.878,435 0.524,436 1.093,437 0.917,438 1.186,439 0.536,440 1.036,441 1.039,442 0.865,443 0.966,444 0.913,445 1.048,446 0.96,447 0.76,448 0.838,449 0.778,450 0.955,451 0.825,452 1.081,453 1.032,454 0.762,455 0.818,456 0.747,457 1.007,458 1.006,459 0.524,460 0.787,461 0.821,462 0.827,463 0.488,464 0.898,465 0.905,466 1.052,467 1.433,468 1.318,469 0.858,470 1.027,471 1.139,472 1.463,473 1.43,474 1.472,475 1.124,476 1.316,477 6.5,478 0.092,479 2.722,480 2.125,481 1.082,482 0.861,483 0.481,484 0.475,485 0.278,486 0.137,487 5443,488 20934,489 2.006,490 39.5,491 5,492 7,494 1,495 1,496 1,499 1.659,500 1.828,501 3.147,502 -0.198,503 1,504 1,506 1,507 73.46,508 1.933,509 3.876,510 4.491,511 4.596,512 4.596,513 4.596,514 2.674,515 4.056,516 4.493,517 3.366,518 851.616,519 7.746,520 9698.53,521 1,522 1,524 1,525 199.421,526 1.72,527 4.418,528 0.26,529 0.01,530 0.08,531 0.064,532 0.033,533 0.032,534 0.019,535 0.019,536 0.012,537 0.015,538 0.545,539 0.33,540 1,541 0.872,542 107.392,543 0.032,544 -0.015,545 0.149,546 0.023,547 -0.068,548 0.059,549 0.183,550 -0.146,551 0.036,552 -0.162,553 0.167,554 -0.08,555 -0.122,556 0.022,557 -0.11,558 -0.012,559 -0.097,560 -0.01,561 0.017,562 -0.072,563 -0.041,564 -0.141,565 -0.016,566 -0.147,567 -0.178,568 0.012,569 -0.067,570 0.038,571 -0.143,572 -0.052,573 0.134,574 0.029,575 0.169,576 0.143,577 0.121,578 0.164,579 -0.101,580 -0.029,581 -0.137,582 -0.092,583 -0.099,584 0.016,585 0.11,586 -0.336,587 -0.324,588 -0.394,589 0.164,590 -0.381,591 4.183,592 5.5,593 0.609,594 19.168,595 1.027,596 1.124,597 2.749,598 7.555,599 0.709,600 3.258,601 3.638,602 3.784,603 4.007,604 4.078,605 4.127,606 4.29,607 4.317,608 4.111,609 3.761,610 5.681,611 0.675,612 354.46,613 3.258,614 4.828,615 5.673,616 6.572,617 7.434,618 8.333,619 9.202,620 10.1,621 10.975,622 11.873,623 5.3,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 38,650 14,651 1,652 25,654 40,655 15,656 9,657 2,658 4,660 3,661 3,666 2,667 1,669 2,671 10,672 5,673 2,674 3,676 1,677 3,680 1,681 1,682 1,683 1,684 15,685 6,686 1,687 8,688 2,691 2,692 1,693 3,701 1,703 1,704 1,709 1,717 3,719 2,721 1,723 1,724 23,726 1,729 2,730 1,733 2,737 1,740 1,741 7.9,744 3,747 12.583,748 7.01,749 4.833,750 2.166,751 1.865,752 1.288,753 0.985,754 4.413,755 8.333,756 3.541,757 4.171,758 4.555,759 5.062,760 5.359,761 5.573,762 5.94,763 6.035,764 5.872,765 5.92,766 1,767 33,768 8.746,770 4.088,771 8.25,772 15.961,774 13.794,776 2.75,777 63.25,781 164.795,782 113.771,783 34.796,785 69.458,786 14.96,787 37.324,788 76.447,789 234.253,790 49.756,791 7.19,792 23.08,793 43.951,794 102.719,795 36.538,797 184.302,799 164.795,800 111.244,801 84.418,802 37.324,804 164.795,805 69.458,806 14.96,807 39.922,808 54.536,809 22.831,810 31.278,811 179.756,812 104.254,813 113.771,814 6.046,815 164.795,816 53.582,817 54.143,818 18.011,819 101.204,820 164.795,821 119.214,822 113.771,823 0.604,824 0.316,825 0.159,826 0.074,827 19,828 9,829 0.125,830 5,832 1,833 3.487,834 181.519,836 14,837 96.042,838 1,839 1,840 16.38,841 6.197,842 4.082,844 119.214,845 7.419,846 3.79,849 0.778,850 0.749,851 18.011,852 397.781,853 33.5,855 -3.266,856 35.532,859 -0.242,860 39.036,861 42.711,862 0.368,863 0.739,864 0.856,865 0.876,866 0.876,867 0.876,868 4.81,869 1,870 5.727,871 4.35,872 4.317,873 4.856,874 3.234,875 6.594,876 4.169,877 6.078,878 0.741,879 7.339,880 2.275,881 4.29,882 5.056,883 1.593,884 7.856,885 4.031,886 7.445,887 0.537,888 9.062,889 1.796,890 6.047,891 7.152,892 5.157,893 10.826,894 5.754,895 8.846,896 -0.342,897 10.849,898 1.486,899 6.735,900 8.109,901 3.168,902 12.838,903 6.328,904 10.279,905 -0.436,906 12.678,907 -0.882,908 8.095,909 9.805,910 7.239,911 15.438,912 7.66,913 11.734,914 -0.838,915 14.536,916 -1.065,917 9.067,918 11.079,919 4.654,920 17.721,921 8.536,922 13.207,923 -0.9,924 16.414,925 -2.006,926 10.299,927 12.649,928 9.371,929 20.211,930 9.732,931 3.319,932 -1,933 18.309,934 -2.232,935 11.389,936 14.062,937 6.091,938 22.592,939 10.746,940 3.152,941 11.663,942 20.215,943 -3,944 12.579,945 15.594,946 11.521,947 25.047,948 11.895,949 2.698,950 11.052,951 22.13,952 4.661,953 13.718,954 17.069,955 7.5,956 27.464,957 12.974,958 2.331,959 7.708,960 24.052,961 3.741,962 14.897,963 18.594,964 13.679,965 29.907,966 14.109,967 2.121,968 6.721,969 25.98,970 3.619,971 16.059,972 20.099,973 8.894,974 32.338,975 15.218,976 1.725,977 5.872,978 27.913,979 2.977,980 17.236,981 21.626,982 15.84,983 34.779,984 16.352,985 1.495,986 4.873,987 29.848,988 2.498,989 18.409,990 23.146,991 10.279,992 37.216,993 17.477,994 5378,995 10689,996 16.008,997 26.938,998 38.779,999 41.237,1000 39.397,1001 38.343,1002 38.238,1003 50.084,1004 10.522,1005 115.589,1006 35.4,1007 5.764,1008 7.18,1009 6.526,1010 5.322,1011 5.319,1012 7.661,1013 5.9,1014 18.645,1015 5.169,1016 13.43,1017 1.551,1018 1.649,1019 1.576,1020 1.534,1021 1.53,1022 2.003,1023 0.421,1024 4.624,1025 1.416,1026 4.101,1027 4.096,1028 4.735,1029 4.104,1030 8.201,1031 4.021,1032 3.93,1033 3.936,1034 4.232,1035 3.866,1036 7.716,1037 3.816,1038 3.803,1039 3.829,1040 3.888,1041 3.769,1042 7.428,1043 3.697,1044 3.62,1045 3.627,1046 3.599,1047 3.553,1048 6.999,1049 3.498,1050 3.315,1051 3.344,1052 3.279,1053 3.086,1054 4.77,1055 3.113,1056 2.854,1057 2.925,1058 2.687,1059 2.735,1060 4.681,1061 2.715,1062 2.789,1063 2.874,1064 2.66,1065 2.598,1066 4.235,1067 2.597,1068 2.622,1069 2.69,1070 2.592,1071 2.358,1072 3.743,1073 2.329,1074 0.192,1075 0.207,1076 0.284,1077 0.168,1078 0.133,1079 4.802,1080 0.186,1081 5.18,1082 0.118,1083 7.112,1084 0.467,1085 4.21,1086 0.127,1087 3.319,1088 4.661,1089 2.95,1090 11.663,1091 3.169,1092 1.992,1093 2.002,1094 2.025,1095 2.045,1096 1.289,1097 2.086,1098 1.659,1099 1.67,1100 1.668,1101 1.795,1102 1.075,1103 1.825,1104 1.413,1105 1.395,1106 1.551,1107 1.616,1108 0.825,1109 1.62,1110 1.323,1111 1.305,1112 1.513,1113 1.498,1114 0.753,1115 1.488,1116 1.206,1117 1.166,1118 1.421,1119 1.376,1120 0.493,1121 1.429,1122 1.153,1123 1.064,1124 1.243,1125 1.339,1126 0.388,1127 1.377,1128 0.886,1129 0.821,1130 1.181,1131 1.062,1132 0.255,1133 1.107,1134 0.792,1135 0.743,1136 1.002,1137 1.015,1138 0.218,1139 1.05,1140 3.932,1141 1.946,1142 5.293,1143 3.932,1144 6.825,1145 5.82,1146 8.432,1147 7.656,1148 10.079,1150 1.143,1152 12.977,1155 1.885,1156 2.638,1159 -0.153,1164 25.632,1165 73.46,1166 147.282,1167 170.666,1168 174.666,1169 174.666,1170 174.666,1171 60.752,1172 6.468,1173 76.13,1174 112.75,1175 14,1176 12.401,1177 3.907,1178 3.248,1179 36.775,1180 75,1181 78,1182 0.235,1183 163.948,1184 284.8,1185 391.794,1186 4274,1187 2.6,1188 16.613,1189 0.722,1190 0.607,1191 16.346,1192 13.955,1193 10.842,1194 0.434,1195 0.391,1196 7.205,1197 9.21,1198 6.796,1199 5.592,1200 11.797,1201 9.774,1202 10.89,1203 0.294,1204 0.233,1205 12.253,1206 8.612,1207 7.584,1208 0.176,1209 0.123,1210 8.629,1211 5.292,1212 6.291,1213 0.117,1214 0.066,1215 7.138,1216 3.566,1217 4.308,1218 0.074,1219 0.036,1220 4.61,1221 2.099,1222 0.364,1223 81.386,1224 0.25,1225 22.485,1226 0.659,1227 124,1228 467.017,1229 199.515,1230 462.297,1231 600.18,1232 422,1233 145,1234 380.156,1235 214.313,1236 425.958,1237 615.96,1238 396,1239 4}
{0 CHEMBL595235,1 2.021,2 7.9,3 2.341,4 5.479,5 76.29,6 10.058,7 0.5,8 3.574,9 3.667,10 3.439,11 3.223,12 4.773,13 3.187,14 4.058,15 4.191,16 3.852,17 3.536,18 5.308,19 3.482,20 4.234,21 4.42,22 3.69,23 3.561,24 5.448,25 3.493,26 4.231,27 4.398,28 3.774,29 3.576,30 5.505,31 3.517,32 4.337,33 4.517,34 3.698,35 3.598,36 5.577,37 3.515,38 4.267,39 4.473,40 3.859,41 3.544,42 5.66,43 3.416,44 3.994,45 4.195,46 3.34,47 3.321,48 5.119,49 3.155,50 3.574,51 3.735,52 3.365,53 2.875,54 4.995,55 2.782,56 0.106,57 0.542,58 3.225,59 2.745,60 11.662,61 2.814,62 0.277,63 0.868,64 9.29,65 4.745,66 26.407,67 4.984,68 0.443,69 0.903,70 16.789,71 6.244,72 58.419,73 6.655,74 0.398,75 0.833,76 13.323,77 5.867,78 42.858,79 6.582,80 0.544,81 0.901,82 17.757,83 6.584,84 68.595,85 6.355,86 0.633,87 0.847,88 20.408,89 6.959,90 92.09,91 7.585,92 0.411,93 0.729,94 25.107,95 6.105,96 44.776,97 5.419,98 0.226,99 0.581,100 10.588,101 3.491,102 21.616,103 3.2,104 10,105 31,106 0.381,107 0.742,108 0.849,109 0.873,110 0.873,111 0.873,112 3.058,113 1.004,114 -3.86,115 -3.82,116 -3.62,118 41.9,120 2,121 2,131 2,132 1,134 2,136 1,141 1,142 1,146 1,154 7,157 5,159 2,161 2,162 7,166 3,170 2,171 5,174 1,175 7,179 4,181 7,185 3,190 3,193 1,194 7,196 1,197 1,198 6,210 1,211 2,215 1,224 524,225 13.378,226 13.378,227 13.378,228 13.378,229 13.378,230 11.85,231 14.502,232 7.85,233 13.994,234 10.871,235 10.871,236 10.871,237 10.871,238 10.871,239 8.608,240 19.789,241 3.752,242 11.959,243 2.933,244 1.016,245 0.452,246 0.323,247 0.323,248 0.323,249 3.718,251 1,252 1,253 1,254 340,255 3.082,256 40.381,258 61.888,259 71.63,261 1.13,262 27.899,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 44.333,274 158,275 4.34,276 3.831,277 6.773,278 4.169,279 3.171,280 3.787,281 1.987,282 11.081,283 3.166,284 4.085,285 3.043,286 5.601,287 3.546,288 2.701,289 3.7,290 0.324,291 7.713,292 2.365,293 3.82,294 2.961,295 5.435,296 3.433,297 2.497,298 3.139,300 7.054,301 2.3,302 3.406,303 2.766,304 5.119,305 3.146,306 2.194,307 2.511,309 6.083,310 2.028,311 3.202,312 2.272,313 4.782,314 2.772,315 1.892,316 2.383,318 5.258,319 1.592,320 2.992,321 2.221,322 4.511,323 2.5,324 1.596,325 2.119,326 4.424,327 1.389,328 2.661,329 1.352,330 3.602,331 2.139,332 1.187,333 1.73,334 2.618,335 1.11,336 2.208,337 0.931,338 3.444,339 1.598,340 0.737,341 1.07,342 1.77,343 0.624,344 1.743,345 0.846,346 3.268,347 1.47,348 0.496,349 0.581,350 1.386,351 0.477,352 1.022,353 0.374,354 2.599,355 0.584,356 -0.343,357 -0.417,358 -0.88,359 -0.251,360 0.928,361 0.207,362 2.458,363 0.446,364 -0.4,365 -0.502,366 -0.893,367 -0.301,368 0.647,369 -0.089,370 2,371 0.305,372 -0.62,373 -0.708,374 -1.591,375 -0.592,376 0.422,377 -0.464,378 2,379 0.014,380 -0.842,381 -1,383 -2.006,384 -0.687,385 0.281,386 -0.602,387 1.756,389 -1,390 -1.017,392 -2.624,393 -1,395 -1,396 1.601,397 -0.044,398 -1,399 -1.347,401 -3,402 -1.001,403 9.867,404 0.493,405 0.541,406 0.027,407 25.25,408 1.263,409 12,410 0.6,411 13.25,412 0.663,413 15.684,414 0.784,415 21.333,416 0.688,417 15.406,418 0.77,419 4.585,420 0.229,421 5.046,422 0.252,423 0.135,425 0.355,428 1,429 0.605,430 1.023,431 0.572,432 0.793,433 0.506,434 0.781,435 0.503,436 1.118,437 0.659,438 1.107,439 0.539,440 1.036,441 0.909,442 0.841,443 0.864,444 0.876,445 0.935,446 0.91,447 0.652,448 0.779,449 0.685,450 0.916,451 0.77,452 1,453 1.238,454 0.807,455 1.043,456 0.891,457 1.292,458 1.058,459 0.575,460 0.774,461 0.927,462 0.899,463 0.563,464 0.913,465 1.271,466 0.921,467 2.138,468 1.483,469 0.907,470 1.193,471 1.249,472 1.835,473 0.917,474 1.438,475 1.333,476 1.371,477 4.5,478 0.012,479 1.611,480 1.75,481 0.882,482 0.681,483 0.292,484 0.21,485 0.128,486 0.075,487 3700,488 14433,489 2.077,490 35.5,491 5,492 2,494 2,495 1,496 1,499 1.622,500 1.935,501 2.968,502 -0.173,504 1,506 1,507 62.666,508 2.021,509 3.938,510 4.503,511 4.632,512 4.632,513 4.632,514 2.433,515 4.022,516 4.295,517 3.115,518 591.906,519 7.358,520 6048.53,521 1,522 1,524 1,525 153.58,526 1.441,527 4.248,528 0.205,529 0.006,530 0.058,531 0.065,532 0.032,533 0.027,534 0.012,535 0.013,536 0.011,537 0.012,538 0.44,539 0.33,540 1,541 0.627,542 87.806,543 -0.059,544 -0.073,545 0.017,546 0.038,547 -0.006,548 0.031,549 0.165,550 -0.185,551 0.107,552 -0.197,553 0.08,554 -0.147,555 -0.05,556 0.032,557 -0.028,558 0.026,559 -0.043,560 0.067,561 0.104,562 -0.043,563 0.07,564 -0.084,565 0.045,566 -0.051,567 -0.283,568 -0.024,569 -0.178,570 -0.009,571 -0.231,572 -0.115,573 0.287,574 0.014,575 0.189,576 0.132,577 0.264,578 0.144,579 -0.356,580 0.088,581 -0.606,582 -0.186,583 -0.198,584 -0.125,585 0.028,586 -0.469,587 0.143,588 -0.358,589 -0.076,590 -0.418,591 2.088,592 5.385,593 0.7,594 13.18,595 1.031,596 1.129,597 2.629,598 6.911,599 0.733,600 3.135,601 3.466,602 3.638,603 3.912,604 3.97,605 3.932,606 3.951,607 3.932,608 3.784,609 3.466,610 4.895,611 0.704,612 311.79,613 3.135,614 4.673,615 5.517,616 6.402,617 7.263,618 8.153,619 9.022,620 9.913,621 10.787,622 11.68,623 9.7,628 1,631 2,633 4,634 2,637 1,638 4,639 11,648 2,649 31,650 12,652 22,654 33,655 13,656 8,660 3,661 3,662 1,666 2,667 1,669 2,671 9,672 4,673 2,674 1,677 1,680 1,681 1,682 1,683 1,684 11,685 5,686 1,687 7,688 2,691 3,692 1,693 1,699 1,701 1,703 1,704 1,709 1,717 3,719 1,722 1,723 1,724 20,729 2,730 1,733 2,737 1,740 2,741 3.2,744 1,747 10.333,748 5.519,749 4.333,750 1.86,751 1.677,752 1.272,753 0.984,754 3.88,755 7.855,756 3.384,757 3.946,758 4.384,759 4.925,760 5.173,761 5.202,762 5.392,763 5.564,764 5.555,765 5.621,766 1,767 27,768 7.417,770 3.275,771 8.072,772 13.817,774 11.647,776 2.572,777 51.444,781 117.711,782 92.151,783 51.582,784 39.149,785 25.145,786 14.96,787 31.278,788 60.873,789 182.005,790 66.542,792 23.08,793 18.952,794 86.963,795 44.035,796 42.22,797 125.447,799 117.711,800 112.455,801 40.105,802 70.426,804 117.711,805 25.145,806 14.96,807 48.969,808 29.914,809 33.571,810 70.426,811 132.671,812 76.727,813 131.299,815 117.711,816 55.103,817 37.047,818 18.011,819 112.825,820 117.711,821 91.687,822 131.299,823 0.585,824 0.313,825 0.176,826 0.086,827 16,828 7,829 0.121,830 4,832 1,833 3.283,834 149.464,836 14,837 84.439,838 1,840 13.748,841 5.645,842 3.47,844 91.687,845 6.169,846 7.725,849 0.816,850 1.053,851 18.011,852 340.697,853 28.5,856 12.385,859 -0.177,860 31.964,861 34.984,862 0.408,863 0.795,864 0.909,865 0.935,866 0.935,867 0.935,868 4.623,869 0.737,870 5.509,871 2.618,872 4.143,873 4.63,874 2.076,875 6.315,876 3.99,877 5.832,878 0.496,879 7.067,880 1.77,881 3.892,882 4.443,883 1.593,884 7.277,885 3.688,886 7.134,887 -0.343,888 8.724,889 1.386,890 5.753,891 6.723,892 3.1,893 10.332,894 5.518,895 8.461,896 -0.4,897 10.439,898 -0.88,899 6.236,900 7.253,901 3.168,902 12.119,903 5.999,904 9.814,905 -0.62,906 12.193,907 -0.893,908 7.643,909 9.06,910 4.312,911 14.745,912 7.389,913 11.185,914 -0.842,915 13.976,916 -1.591,917 8.465,918 9.941,919 4.654,920 16.895,921 8.234,922 12.569,923 -1,924 15.781,925 -2.006,926 9.696,927 11.528,928 5.601,929 19.375,930 9.462,931 3.171,932 -1,933 17.606,934 -2.624,935 10.683,936 12.596,937 6.091,938 21.679,939 10.477,940 2.701,941 11.081,942 19.447,943 -3,944 11.847,945 14.069,946 6.927,947 24.109,948 11.648,949 2.497,950 7.713,951 21.3,952 3.787,953 12.913,954 15.241,955 7.5,956 26.474,957 12.739,958 2.194,959 7.054,960 23.164,961 3.7,962 14.055,963 16.651,964 8.273,965 28.887,966 13.893,967 1.892,968 6.083,969 25.038,970 3.139,971 15.16,972 17.883,973 8.894,974 31.276,975 15.018,976 1.596,977 5.258,978 26.919,979 2.511,980 16.299,981 19.257,982 9.631,983 33.684,984 16.167,985 1.187,986 4.424,987 28.806,988 2.383,989 17.424,990 20.524,991 10.279,992 36.083,993 17.307,994 3618,995 7269,996 14.622,997 22.722,998 33.594,999 34.26,1000 34.343,1001 33.101,1002 32.941,1003 42.041,1004 4.622,1005 94.778,1006 30.102,1007 5.302,1008 5.831,1009 6.325,1010 5.281,1011 5.171,1012 6.787,1013 3.497,1014 17.97,1015 5.13,1016 9.259,1017 1.527,1018 1.557,1019 1.561,1020 1.505,1021 1.497,1022 1.911,1023 0.21,1024 4.308,1025 1.368,1026 4.015,1027 4.049,1028 4.233,1029 3.93,1030 8.201,1031 3.924,1032 3.807,1033 3.831,1034 4.009,1035 3.774,1036 7.428,1037 3.702,1038 3.758,1039 3.804,1040 3.768,1041 3.655,1042 5.042,1043 3.648,1044 3.336,1045 3.367,1046 3.363,1047 3.101,1048 4.765,1049 3.134,1050 2.88,1051 2.922,1052 3.204,1053 2.796,1054 4.372,1055 2.769,1056 2.786,1057 2.86,1058 2.692,1059 2.563,1060 4.228,1061 2.584,1062 2.485,1063 2.529,1064 2.604,1065 2.28,1066 3.794,1067 2.261,1068 2.256,1069 2.332,1070 2.478,1071 2.066,1072 3.663,1073 2.006,1074 0.197,1075 0.174,1076 0.308,1077 0.19,1078 0.144,1079 4.34,1080 0.172,1081 3.831,1082 0.09,1083 6.773,1084 0.504,1085 4.169,1086 0.144,1087 3.171,1088 3.787,1089 1.987,1090 11.081,1091 3.166,1092 1.874,1093 1.847,1094 1.959,1095 1.983,1096 1.219,1097 1.981,1098 1.474,1099 1.443,1100 1.589,1101 1.698,1102 0.825,1103 1.668,1104 1.323,1105 1.309,1106 1.513,1107 1.508,1108 0.779,1109 1.491,1110 1.213,1111 1.172,1112 1.42,1113 1.376,1114 0.492,1115 1.429,1116 1.153,1117 1.064,1118 1.243,1119 1.346,1120 0.378,1121 1.38,1122 0.868,1123 0.824,1124 1.101,1125 1.02,1126 0.193,1127 1.061,1128 0.779,1129 0.74,1130 0.915,1131 0.998,1132 0.139,1133 1.013,1134 0.543,1135 0.495,1136 0.641,1137 0.791,1139 0.784,1140 3.807,1141 1.946,1142 5.13,1143 3.932,1144 6.632,1145 5.82,1146 8.217,1147 7.656,1148 9.849,1151 5.88,1152 12.904,1155 2.008,1156 2.667,1159 0.015,1164 21.811,1165 62.666,1166 122.07,1167 139.58,1168 143.58,1169 143.58,1170 143.58,1171 38.887,1172 6.178,1173 54.88,1174 83.12,1175 14,1176 12.211,1177 3.7,1178 2.907,1179 29.799,1180 56,1181 60,1182 0.256,1183 140.767,1184 240.32,1185 335.233,1186 2933,1187 6.5,1188 14.113,1189 0.706,1190 0.596,1191 14.096,1192 11.918,1193 9.631,1194 0.438,1195 0.335,1196 6.183,1197 8.519,1198 5.994,1199 4.904,1200 9.98,1201 7.364,1202 8.944,1203 0.289,1204 0.195,1205 9.328,1206 6.054,1207 6.565,1208 0.177,1209 0.103,1210 7.115,1211 3.812,1212 5.752,1213 0.117,1214 0.057,1215 6.335,1216 2.807,1217 3.957,1218 0.076,1219 0.031,1220 4.098,1221 1.607,1222 0.388,1223 67.804,1224 0.262,1225 19.725,1226 0.738,1227 106,1228 398.534,1229 162.445,1230 408.539,1231 529.48,1232 378,1233 124,1234 335.758,1235 162.739,1236 358.28,1237 525.26,1238 336,1239 4.796}
{0 CHEMBL595715,1 1.694,2 8.4,3 3.764,4 14.169,5 83.609,6 8.348,7 0.524,8 3.677,9 3.79,10 3.392,11 3.326,12 4.765,13 3.244,14 4.194,15 4.364,16 3.785,17 3.689,18 5.246,19 3.585,20 4.418,21 4.611,22 3.726,23 3.781,24 5.463,25 3.651,26 4.531,27 4.759,28 3.727,29 3.767,30 5.625,31 3.63,32 4.464,33 4.667,34 3.615,35 3.696,36 5.637,37 3.584,38 4.475,39 4.725,40 3.667,41 3.729,42 5.437,43 3.536,44 4.294,45 4.512,46 3.628,47 3.609,48 5.395,49 3.406,50 3.99,51 4.188,52 3.019,53 3.346,54 4.923,55 3.112,56 0.009,57 0.511,58 7.14,59 3.576,60 4.949,61 4.529,62 0.137,63 0.834,64 16.073,65 6.224,66 18.847,67 8.064,68 0.16,69 0.962,70 21.442,71 7.687,72 31.19,73 9.597,74 0.237,75 1.048,76 27.961,77 9.322,78 39.585,79 11.404,80 0.296,81 1.004,82 20.807,83 7.211,84 53.207,85 8.556,86 0.19,87 0.989,88 25.827,89 9.058,90 35.862,91 11.174,92 0.363,93 0.848,94 29.664,95 8.32,96 47.105,97 8.974,98 0.149,99 0.564,100 21.342,101 6.034,102 19.924,103 7.313,104 27,105 29,106 0.309,107 0.657,108 0.782,109 0.802,110 0.802,111 0.802,112 3.058,113 1.102,114 -4.78,115 -4.69,116 -4.4,118 40.5,119 3,121 2,131 4,132 1,133 1,135 1,139 1,142 1,146 1,154 8,157 3,159 2,161 2,162 12,166 2,170 2,171 11,174 1,175 6,179 5,181 8,185 4,188 2,190 7,194 5,198 6,201 3,205 1,207 6,215 4,219 1,221 3,224 532,225 12.93,226 12.93,227 12.93,228 12.93,229 12.93,230 11.402,231 15.3,232 7.577,233 13.366,234 10.334,235 10.334,236 10.334,237 10.334,238 10.334,239 8.082,240 20.257,241 3.585,242 11.103,243 3.516,244 1.613,245 0.926,246 0.818,247 0.818,248 0.818,249 3.707,250 1,252 1,253 1,254 345,255 3.464,258 63.687,259 72.995,261 1.24,262 17.97,263 1,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.333,274 168,275 4.294,276 3.818,277 6.686,278 4.09,279 3.091,280 3.762,281 1.987,282 10.663,283 3.087,284 4.079,285 2.976,286 5.592,287 3.578,288 2.691,289 3.687,290 0.324,291 7.683,292 2.391,293 3.787,294 2.817,295 5.216,296 3.344,297 2.415,298 3.136,300 6.428,301 2.231,302 3.322,303 2.682,304 4.884,305 2.956,306 1.996,307 2.543,309 5.519,310 1.903,311 3.06,312 2.038,313 4.71,314 2.761,315 1.808,316 2.206,318 4.903,319 1.646,320 2.879,321 1.933,322 4.414,323 2.511,324 1.56,325 1.896,326 4.068,327 1.443,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.206,337 0.93,338 3.279,339 1.523,340 0.731,341 1.067,342 1.735,343 0.567,344 1.544,345 0.801,346 3.162,347 1.283,348 0.325,349 0.373,350 0.826,351 0.292,352 1.022,353 0.432,354 2.535,355 0.64,356 -0.29,357 -0.349,358 -0.723,359 -0.224,360 0.884,361 0.166,362 2,363 0.437,364 -0.484,365 -0.617,366 -1.135,367 -0.421,368 0.5,369 -0.406,370 1.936,371 0.095,372 -0.843,373 -1,374 -2,375 -0.754,376 0.413,377 -0.735,378 1.611,380 -1,381 -1.031,383 -2.006,384 -1,385 0.003,386 -1,387 1.586,389 -1,390 -1.5,392 -3,393 -1,395 -1,396 1.559,397 -0.421,398 -1.302,399 -1.558,401 -3.126,402 -1.037,403 10.181,404 0.509,405 0.617,406 0.031,407 24,408 1.2,409 12,410 0.6,411 12,412 0.6,413 18.062,414 0.903,415 21.619,416 0.584,417 14.759,418 0.738,419 4.323,420 0.216,421 5.146,422 0.257,423 0.25,425 0.344,429 0.638,430 1.163,431 0.652,432 0.867,433 0.599,434 0.903,435 0.454,436 1.12,437 0.687,438 0.953,439 0.499,440 0.886,441 1.162,442 1.082,443 0.954,444 0.974,445 1.179,446 1.053,447 0.919,448 1.094,449 0.867,450 1.055,451 1.008,452 0.961,453 1.85,454 0.96,455 0.843,456 0.825,457 2.192,458 0.991,459 0.931,460 0.952,461 0.813,462 0.861,463 1.011,464 0.895,465 1.174,466 0.952,467 1.573,468 1.332,469 1.032,470 1.025,471 1.23,472 1.107,473 1.981,474 1.522,475 0.77,476 1.51,477 5,478 0.049,479 2.222,480 2.069,481 0.942,482 0.761,483 0.507,484 0.254,485 0.128,486 0.057,487 3394,488 10695,489 1.938,490 45.9,491 7,492 4,493 1,495 1,496 4,499 1.621,500 1.765,501 3.033,502 -0.271,504 1,506 1,507 62.66,508 1.694,509 3.597,510 4.283,511 4.391,512 4.391,513 4.391,514 2.504,515 3.684,516 4.293,517 3.164,518 601.213,519 7.353,520 6146.86,521 1,522 1,523 1,524 1,525 192.75,526 1.559,527 4.219,528 0.238,529 0.016,530 0.077,531 0.077,532 0.035,533 0.032,534 0.023,535 0.013,536 0.012,537 0.009,538 0.532,539 0.33,540 1,541 0.932,542 88.119,543 -0.031,544 -0.042,545 0.033,546 0.04,547 -0.069,548 0.022,549 0.25,550 -0.059,551 0.129,552 0.006,553 0.135,554 0.071,555 -0.154,556 -0.076,557 -0.108,558 -0.084,559 -0.141,560 -0.123,561 0.101,562 -0.134,563 0.014,564 -0.097,565 0.153,566 0.004,567 -0.368,568 0.077,569 -0.15,570 0.008,571 -0.32,572 -0.128,573 -0.029,574 -0.005,575 0.103,576 0.122,577 -0.04,578 0.093,579 -0.004,580 0.126,581 -0.168,582 -0.073,583 0.053,584 -0.012,585 -0.292,586 -0.193,587 -0.556,588 -0.454,589 -0.202,590 -0.483,591 1.698,592 5.471,593 0.55,594 13.74,595 1,596 1.119,597 3.545,598 12.569,599 0.704,600 3.091,601 3.401,602 3.584,603 3.807,604 3.807,605 3.784,606 3.85,607 3.664,608 3.497,609 3.219,610 4.998,611 0.648,612 308.86,613 3.091,614 4.615,615 5.434,616 6.301,617 7.136,618 8.006,619 8.849,620 9.718,621 10.565,622 11.434,623 5.4,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 37,650 12,651 1,652 21,654 38,655 15,656 9,657 2,658 4,660 2,661 2,662 1,663 3,671 10,672 5,673 2,674 1,677 1,680 1,682 1,684 17,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 3,722 1,724 20,730 1,733 2,737 1,740 1,741 2.7,744 1,747 11.333,748 7.51,749 4.417,750 2.233,751 1.73,752 1.286,753 0.939,754 5.029,755 7.778,756 3.35,757 3.907,758 4.358,759 4.879,760 5.116,761 5.123,762 5.38,763 5.329,764 5.324,765 5.497,766 0.833,767 27,768 7.39,770 3.048,771 7.772,772 14.081,774 11.246,776 2.272,777 45.444,778 0.001,781 188.338,782 117.956,783 34.796,784 39.149,785 25.145,787 31.278,788 86.678,789 252.631,790 34.796,791 26.476,792 18.011,793 45.554,794 46.635,795 9.944,796 11.771,797 207.844,798 39.149,799 188.338,800 121.474,801 25.145,802 70.426,804 188.338,805 25.145,807 47.744,808 56.945,809 55.934,810 31.278,811 188.338,812 59.941,813 157.104,815 188.338,816 45.926,817 72.03,818 18.011,819 81.079,820 188.338,821 59.941,822 157.104,823 0.585,824 0.327,825 0.176,826 0.083,827 13,828 7,829 0.105,830 4,832 1,833 3.141,834 142.358,836 11,837 80.439,838 1,840 15.301,841 6.574,842 3.956,844 59.941,845 9.349,846 4.266,849 1.44,850 3.201,851 18.011,852 405.383,853 27.5,856 12.471,859 -0.031,860 37,861 41.392,862 0.325,863 0.69,864 0.822,865 0.843,866 0.843,867 0.843,868 4.572,869 0.731,870 5.434,871 2.275,872 4.078,873 4.59,874 2.076,875 6.217,876 3.957,877 5.775,878 0.325,879 6.984,880 1.735,881 3.761,882 4.369,883 1.593,884 7.106,885 3.602,886 7.067,887 -0.29,888 8.631,889 0.826,890 5.645,891 6.684,892 3.1,893 10.167,894 5.45,895 8.389,896 -0.484,897 10.336,898 -0.723,899 6.089,900 7.202,901 3.168,902 11.912,903 5.882,904 9.737,905 -0.843,906 12.079,907 -1.135,908 7.495,909 9.023,910 4.312,911 14.513,912 7.269,913 11.103,914 -1,915 13.852,916 -2,917 8.288,918 9.893,919 4.654,920 16.627,921 8.072,922 12.483,923 -1,924 15.648,925 -2.006,926 9.508,927 11.488,928 5.601,929 19.071,930 9.286,931 3.091,932 -1.302,933 17.463,934 -3,935 10.468,936 12.545,937 6.091,938 21.338,939 10.265,940 2.691,941 10.663,942 19.294,943 -3.126,944 11.615,945 14.021,946 6.927,947 23.729,948 11.416,949 2.415,950 7.683,951 21.138,952 3.762,953 12.655,954 15.182,955 7.5,956 26.056,957 12.475,958 1.996,959 6.428,960 22.993,961 3.687,962 13.776,963 16.593,964 8.273,965 28.43,966 13.605,967 1.808,968 5.519,969 24.856,970 3.136,971 14.854,972 17.814,973 8.894,974 30.78,975 14.7,976 1.56,977 4.903,978 26.727,979 2.543,980 15.968,981 19.187,982 9.631,983 33.148,984 15.825,985 1,986 4.068,987 28.603,988 2.206,989 17.066,990 20.444,991 10.279,992 35.508,993 16.936,994 3490,995 6303,996 13.235,997 26.063,998 31.769,999 32.38,1000 33,1001 31.294,1002 31.236,1003 40.34,1004 4.622,1005 88.2,1006 29.12,1007 5.182,1008 5.818,1009 6.1,1010 5.189,1011 5.091,1012 6.762,1013 3.497,1014 17.402,1015 5.087,1016 11.931,1017 1.513,1018 1.542,1019 1.571,1020 1.49,1021 1.487,1022 1.921,1023 0.22,1024 4.2,1025 1.387,1026 3.976,1027 4.003,1028 4.218,1029 3.917,1030 7.428,1031 3.905,1032 3.833,1033 3.859,1034 4.006,1035 3.813,1036 4.94,1037 3.744,1038 3.639,1039 3.689,1040 3.649,1041 3.534,1042 4.84,1043 3.519,1044 3.312,1045 3.371,1046 3.223,1047 3.083,1048 4.354,1049 3.096,1050 2.999,1051 3.071,1052 3.166,1053 2.891,1054 4.125,1055 2.83,1056 2.874,1057 3.009,1058 2.983,1059 2.735,1060 3.874,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.685,1066 3.674,1067 2.661,1068 2.816,1069 2.855,1070 2.499,1071 2.618,1072 3.478,1073 2.57,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.294,1080 0.179,1081 3.818,1082 0.095,1083 6.686,1084 0.508,1085 4.09,1086 0.147,1087 3.091,1088 3.762,1089 1.987,1090 10.663,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.801,1102 0.999,1103 1.829,1104 1.53,1105 1.483,1106 1.745,1107 1.709,1108 0.831,1109 1.722,1110 1.368,1111 1.336,1112 1.445,1113 1.574,1114 0.566,1115 1.576,1116 1.054,1117 1.032,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.161,1126 0.404,1127 1.211,1128 0.886,1129 0.804,1130 1.102,1131 1.062,1132 0.218,1133 1.107,1134 0.773,1135 0.717,1136 1.072,1137 0.998,1138 0.111,1139 1.056,1140 3.761,1142 5.069,1143 2.398,1144 6.547,1145 4.595,1146 8.105,1147 6.529,1148 9.708,1150 5.975,1151 5.899,1156 2.893,1159 -0.02,1164 23.987,1165 62.66,1166 133.086,1167 158.485,1168 162.485,1169 162.485,1170 162.485,1171 38.944,1172 6.047,1173 41.99,1174 70.23,1175 11,1176 11.982,1177 3.7,1178 2.907,1179 36.263,1180 57,1181 60,1182 0.307,1183 159.353,1184 270.21,1185 380.581,1186 2528,1187 2.7,1188 14.698,1189 0.735,1190 0.663,1191 15.552,1192 13.256,1193 9.469,1194 0.451,1195 0.367,1196 6.517,1197 8.514,1198 6.101,1199 5.156,1200 10.212,1201 7.713,1202 8.839,1203 0.305,1204 0.219,1205 9.824,1206 6.351,1207 6.54,1208 0.187,1209 0.119,1210 7.529,1211 4.155,1212 5.559,1213 0.126,1214 0.066,1215 6.436,1216 2.921,1217 3.581,1218 0.081,1219 0.037,1220 4.237,1221 1.637,1222 0.468,1223 65.926,1224 0.275,1225 19.795,1226 0.88,1227 100,1228 286.777,1229 145.292,1230 332.59,1231 436.9,1232 308,1233 114,1234 276.97,1235 148.233,1236 307.452,1237 443.54,1238 287,1239 5.854}
{0 CHEMBL596151,1 1.909,2 7.65,3 3.679,4 13.536,5 84.351,6 9.454,7 0.524,8 3.647,9 3.73,10 3.637,11 3.338,12 4.7,13 3.235,14 4.185,15 4.315,16 3.946,17 3.709,18 5.518,19 3.589,20 4.427,21 4.594,22 4.007,23 3.832,24 5.535,25 3.664,26 4.55,27 4.731,28 4.059,29 3.85,30 5.849,31 3.709,32 4.596,33 4.773,34 3.792,35 3.774,36 5.943,37 3.67,38 4.484,39 4.72,40 3.771,41 3.716,42 5.527,43 3.519,44 4.222,45 4.445,46 3.666,47 3.536,48 5.408,49 3.329,50 3.816,51 4.013,52 2.785,53 3.134,54 4.79,55 2.864,56 0.089,57 0.52,58 7.532,59 3.762,60 15.328,61 3.98,62 0.335,63 0.846,64 16.331,65 6.659,66 54.428,67 7.328,68 0.322,69 0.997,70 27.037,71 9.361,72 51.913,73 9.432,74 0.469,75 1.119,76 35.2,77 11.119,78 60.557,79 10.86,80 0.614,81 1.104,82 26.903,83 9.366,84 98.42,85 8.77,86 0.433,87 0.979,88 29.363,89 9.415,90 66.703,91 10.52,92 0.449,93 0.791,94 29.873,95 8.174,96 50.455,97 8.532,98 0.203,99 0.462,100 19.537,101 5.176,102 20.665,103 6.028,104 27,105 30,106 0.351,107 0.672,108 0.777,109 0.798,110 0.798,111 0.798,112 3.058,113 1.267,114 -3.79,115 -3.75,116 -3.56,118 37.1,119 2,121 1,125 1,131 4,132 1,133 1,134 1,139 1,146 1,154 6,156 1,157 1,159 3,161 1,162 8,166 4,170 2,171 8,174 2,175 10,179 4,181 7,185 6,188 2,190 6,194 4,198 5,201 4,205 1,207 4,219 1,221 1,224 524,225 12.8,226 12.8,227 12.8,228 12.8,229 12.8,230 11.112,231 11.219,232 7.497,233 13.38,234 10.354,235 10.354,236 10.354,237 10.354,238 10.354,239 7.857,240 10.722,241 3.54,242 11.39,243 3.22,244 1.472,245 0.9,246 0.786,247 0.786,248 0.786,249 3.703,250 1,252 1,253 1,254 314,255 3.808,258 64.196,259 72.909,261 1.215,262 27.667,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 43.333,274 153,275 4.856,276 4.77,277 7.504,278 4.402,279 3.48,280 4.602,281 1.416,282 13.331,283 3.184,284 4.024,285 2.947,286 5.901,287 3.588,288 2.638,289 3.616,291 8.17,292 2.523,293 3.858,294 2.69,295 5.288,296 3.298,297 2.427,298 3.43,300 6.7,301 2.114,302 3.511,303 2.446,304 5.073,305 3.111,306 2.185,307 2.776,309 6.025,310 1.97,311 2.999,312 1.912,313 4.726,314 2.761,315 1.806,316 2.052,318 4.794,319 1.645,320 2.595,321 1.321,322 3.716,323 2.086,324 1.175,325 1.626,326 2.585,327 1.057,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.895,338 3.302,339 1.416,340 0.618,341 0.927,342 1.372,343 0.486,344 1.571,345 0.618,346 3,347 1.3,348 0.37,349 0.423,350 0.97,351 0.323,352 1,353 0.422,354 2.806,355 0.59,356 -0.316,357 -0.381,358 -0.835,359 -0.239,360 0.967,361 -0.259,362 2.473,363 0.416,364 -0.439,365 -0.555,366 -1.166,367 -0.357,368 0.879,369 -0.498,370 2,372 -1,373 -1,374 -2,375 -1,376 0.5,377 -1,378 2,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.806,389 -1,390 -1.556,392 -3,393 -1,394 -0.027,395 -1,396 1.595,397 -0.497,398 -1.309,399 -1.793,401 -3.153,402 -1.005,403 10.348,404 0.517,405 0.687,406 0.034,407 25.5,408 1.275,409 13.5,410 0.675,411 12,412 0.6,413 17.262,414 0.863,415 22.052,416 0.63,417 16.67,418 0.833,419 4.409,420 0.22,421 4.99,422 0.249,423 0.23,424 0.081,425 0.242,429 0.475,430 1.25,431 0.709,432 1.067,433 0.666,434 0.894,435 0.475,436 1.091,437 0.84,438 1.016,439 0.523,440 0.921,441 1.098,442 1.105,443 0.959,444 1.006,445 1.158,446 1.048,447 1.034,448 1.111,449 1.081,450 1.215,451 1.078,452 0.955,453 1.907,454 0.94,455 0.929,456 0.864,457 2.135,458 0.992,459 1.016,460 0.878,461 0.684,462 0.705,463 1.112,464 0.901,465 0.596,466 0.913,467 1.314,468 1.192,469 0.301,470 1.013,471 1.037,472 1.14,473 1.871,474 1.445,475 0.581,476 1.68,477 5.5,478 0.02,479 2.667,480 2.472,481 1.217,482 0.788,483 0.558,484 0.129,485 0.079,486 0.047,487 3210,488 11966,489 1.927,490 42.9,491 6,492 5,493 1,494 1,495 1,497 1,499 1.625,500 1.752,501 2.888,502 -0.173,504 1,506 1,507 66.816,508 1.909,509 3.658,510 4.229,511 4.343,512 4.343,513 4.343,514 2.388,515 3.584,516 4.293,517 3.047,518 578.89,519 7.369,520 5835.87,521 1,522 1,523 1,524 1,525 179.525,526 1.734,527 4.207,528 0.262,529 0.01,530 0.089,531 0.088,532 0.038,533 0.029,534 0.027,535 0.007,536 0.011,537 0.012,538 0.573,539 0.33,540 1,541 0.932,542 87.028,543 0.103,544 -0.101,545 0.132,546 -0.048,547 -0.152,548 0.03,549 0.343,550 -0.006,551 0.035,552 -0.022,553 0.296,554 0.01,555 -0.134,556 -0.117,557 -0.013,558 -0.021,559 -0.139,560 -0.089,561 0.056,562 -0.094,563 -0.039,564 -0.119,565 0.137,566 0.029,567 -0.445,568 0.026,569 -0.206,570 -0.011,571 -0.333,572 -0.131,573 -0.099,574 0.016,575 0.13,576 0.163,577 -0.157,578 0.078,579 0.195,580 0.106,581 -0.08,582 -0.095,583 0.223,584 0.025,585 -0.26,586 -0.29,587 -0.59,588 -0.516,589 -0.192,590 -0.654,591 4.472,592 5.548,593 0.55,594 13.4,595 1.015,596 1.117,597 2.558,598 6.544,599 0.726,600 3.091,601 3.434,602 3.611,603 3.871,604 3.807,605 3.807,606 3.892,607 3.555,608 3.296,609 3.045,610 4.696,611 0.667,612 330.89,613 3.091,614 4.635,615 5.46,616 6.354,617 7.198,618 8.1,619 8.952,620 9.855,621 10.713,622 11.617,623 5.7,626 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 35,650 13,651 1,652 21,654 36,655 13,656 9,657 2,658 4,660 2,661 2,662 1,663 2,669 1,671 9,672 4,673 1,674 2,676 1,677 2,681 1,682 1,684 15,685 4,686 1,687 7,688 3,691 2,692 1,693 2,703 1,704 1,717 2,719 2,721 2,722 1,724 20,727 1,730 1,733 2,737 1,740 1,741 5.7,744 2,747 11.417,748 6.676,749 4.347,750 1.993,751 1.703,752 1.284,753 0.949,754 4.917,755 7.701,756 3.384,757 4.003,758 4.377,759 4.93,760 5.13,761 5.219,762 5.547,763 5.388,764 5.183,765 5.364,766 1,767 28,768 7.623,770 3.451,771 8.001,772 13.955,774 11.513,776 2.501,777 50.028,781 164.795,782 116.524,783 33.191,784 39.149,785 44.313,787 37.085,788 79.439,789 248.257,790 33.191,791 17.65,793 51.362,794 89.275,795 16.234,796 11.771,797 172.531,798 39.149,799 164.795,800 112.629,801 44.313,802 76.234,804 153.024,805 56.084,807 27.199,808 52.24,809 78.147,810 31.278,811 164.795,812 77.503,813 155.673,814 5.807,815 164.795,816 38.465,817 72.252,818 16.405,819 100.247,820 164.795,821 77.503,822 155.673,823 0.591,824 0.329,825 0.182,826 0.079,827 14,828 7,829 0.139,830 5,832 1,833 3.072,834 146.13,836 11,837 78.439,838 1,839 1,840 15.581,841 6.311,842 3.866,844 77.503,845 10.179,846 3.958,849 1.254,850 1.68,851 16.405,852 397.971,853 28.5,855 -3.556,856 25.095,860 35.52,861 39.106,862 0.372,863 0.713,864 0.824,865 0.847,866 0.847,867 0.847,868 4.623,869 0.618,870 5.509,871 2.275,872 4.111,873 4.687,874 1.612,875 6.385,876 3.938,877 5.875,878 0.37,879 7.12,880 1.372,881 4.007,882 4.832,884 7.727,885 3.728,886 7.235,887 -0.316,888 8.855,889 0.97,890 5.82,891 6.991,892 2.203,893 10.783,894 5.485,895 8.64,896 -0.439,897 10.669,898 -0.835,899 6.509,900 7.931,902 12.964,903 6.057,904 10.082,905 -1,906 12.535,907 -1.166,908 7.899,909 9.647,910 2.842,911 15.678,912 7.396,913 11.551,914 -1,915 14.44,916 -2,917 8.916,918 10.911,920 18.139,921 8.298,922 13.04,923 -1,924 16.373,925 -3,926 10.185,927 12.486,928 3.508,929 20.766,930 9.504,931 3.48,932 -1.309,933 18.327,934 -3,935 11.337,936 13.89,938 23.315,939 10.549,940 2.638,941 13.331,942 20.296,943 -3.153,944 12.577,945 15.421,946 4.189,947 25.916,948 11.712,949 2.427,950 8.17,951 22.276,952 4.602,953 13.783,954 16.888,956 28.493,957 12.819,958 2.185,959 6.7,960 24.266,961 3.616,962 15.02,963 18.409,964 4.878,965 31.086,966 13.972,967 1.806,968 6.025,969 26.262,970 3.43,971 16.249,972 19.905,974 33.672,975 15.105,976 1.175,977 4.794,978 28.262,979 2.776,980 17.488,981 21.424,982 5.57,983 36.263,984 16.256,985 1,986 2.585,987 30.267,988 2.052,989 18.727,990 22.934,992 38.852,993 17.402,994 3313,995 6534,996 13.118,997 25.404,998 31.634,999 32.717,1000 32.422,1001 31.469,1002 31.4,1003 41.905,1004 2.833,1005 92.445,1006 28.602,1007 5.744,1008 6.77,1009 7.113,1010 5.519,1011 5.48,1012 7.602,1013 2.833,1014 21.235,1015 5.184,1016 11.481,1017 1.506,1018 1.558,1019 1.544,1020 1.499,1021 1.495,1022 1.995,1023 0.135,1024 4.402,1025 1.362,1026 4.084,1027 4.07,1028 4.74,1029 4.068,1030 7.716,1031 3.982,1032 3.829,1033 3.845,1034 4.162,1035 3.797,1036 6.999,1037 3.737,1038 3.694,1039 3.71,1040 3.976,1041 3.681,1042 4.939,1043 3.595,1044 3.49,1045 3.519,1046 3.448,1047 3.359,1048 4.857,1049 3.302,1050 2.884,1051 3.009,1052 3.222,1053 2.805,1054 4.344,1055 2.778,1056 2.874,1057 2.925,1058 2.687,1059 2.735,1060 4.122,1061 2.715,1062 2.854,1063 2.918,1064 2.604,1065 2.618,1066 3.697,1067 2.57,1068 2.564,1069 2.63,1070 2.499,1071 2.38,1072 3.674,1073 2.35,1074 0.231,1075 0.227,1076 0.357,1077 0.21,1078 0.166,1079 4.856,1080 0.219,1081 4.77,1082 0.067,1083 7.504,1084 0.635,1085 4.402,1086 0.152,1087 3.48,1088 4.602,1089 1.416,1090 13.331,1091 3.184,1092 1.975,1093 1.974,1094 2.041,1095 2.045,1096 1.384,1097 2.086,1098 1.704,1099 1.702,1100 1.866,1101 1.816,1102 1,1103 1.851,1104 1.473,1105 1.443,1106 1.497,1107 1.675,1108 0.751,1109 1.714,1110 1.356,1111 1.328,1112 1.417,1113 1.492,1114 0.563,1115 1.518,1116 1.101,1117 1.093,1118 1.322,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.192,1126 0.301,1127 1.253,1128 0.886,1129 0.804,1130 1.101,1131 1.062,1132 0.218,1133 1.107,1134 0.789,1135 0.783,1136 0.766,1137 0.924,1139 0.958,1140 3.761,1142 5.094,1143 2.398,1144 6.605,1145 4.443,1146 8.207,1147 6.26,1148 9.861,1150 3.751,1151 5.852,1156 2.539,1159 -0.725,1164 23.362,1165 66.816,1166 128.015,1167 148.015,1168 152.015,1169 152.015,1170 152.015,1171 48.428,1172 5.999,1173 59.06,1174 95.68,1175 11,1176 12.146,1177 3.807,1178 3.087,1179 36.119,1180 53,1181 60,1182 0.331,1183 158.223,1184 265.55,1185 377.824,1186 2275,1187 2.9,1188 14.751,1189 0.738,1190 0.673,1191 15.854,1192 13.466,1193 9.399,1194 0.448,1195 0.422,1196 6.249,1197 7.665,1198 5.769,1199 4.847,1200 10.963,1201 8.869,1202 9.133,1203 0.304,1204 0.261,1205 11.414,1206 7.834,1207 6.479,1208 0.18,1209 0.162,1210 8.552,1211 5.833,1212 5.824,1213 0.124,1214 0.101,1215 8.175,1216 4.728,1217 3.407,1218 0.077,1219 0.056,1220 4.868,1221 2.445,1222 0.495,1223 74.155,1224 0.276,1225 19.575,1226 0.984,1227 102,1228 329.373,1229 185.599,1230 390.553,1231 507.55,1232 356,1233 117,1234 299.488,1235 202.875,1236 362.763,1237 523.36,1238 337,1239 4}
{0 CHEMBL596152,1 1.545,2 5.714,3 2.702,4 7.3,5 57.717,6 7.561,7 0.429,8 3.376,9 3.504,10 2.926,11 2.963,12 4.497,13 2.897,14 3.881,15 4.063,16 3.29,17 3.34,18 4.986,19 3.238,20 4.174,21 4.374,22 3.347,23 3.498,24 5.223,25 3.367,26 4.288,27 4.541,28 3.271,29 3.446,30 5.38,31 3.307,32 4.224,33 4.459,34 2.96,35 3.283,36 5.426,37 3.129,38 4.099,39 4.435,40 2.643,41 3.005,42 4.913,43 2.73,44 3.388,45 3.703,46 2.729,47 2.366,48 4.566,49 2.115,50 2.355,51 2.495,52 1.094,53 1.563,54 3.523,55 1.194,56 0.021,57 0.361,58 5.839,59 2.67,60 7.267,61 3.621,62 0.08,63 0.548,64 11.006,65 4.703,66 24.81,67 6.384,68 0.13,69 0.681,70 17.138,71 6.112,72 33.439,73 8.136,74 0.132,75 0.74,76 19.451,77 6.499,78 33.383,79 8.972,80 0.252,81 0.69,82 16.655,83 5.211,84 59.923,85 7.123,86 0.169,87 0.521,88 18.242,89 5.44,90 35.069,91 7.665,92 0.199,93 0.2,94 12.242,95 2.755,96 30.043,97 3.72,98 0.12,99 0.016,100 10.133,101 1.307,102 14.064,103 1.34,104 31,105 19,106 0.309,107 0.647,108 0.736,109 0.765,110 0.765,111 0.765,112 2.733,113 1.06,114 -4.05,115 -4,116 -3.79,118 39.3,119 2,121 2,131 4,132 1,133 1,142 1,147 1,148 1,149 1,154 8,157 1,158 1,159 1,161 1,162 12,164 1,166 2,170 2,171 10,173 2,175 4,179 4,181 7,183 4,185 2,188 2,190 5,192 2,198 1,201 1,205 1,207 2,209 1,224 180,225 8.759,226 8.759,227 8.759,228 8.759,229 8.759,230 7.825,231 8.165,232 5.125,233 8.875,234 6.858,235 6.858,236 6.858,237 6.858,238 6.858,239 5.516,240 8.572,241 2.364,242 7.101,243 3.263,244 1.571,245 1.125,246 0.982,247 0.982,248 0.982,249 3.335,250 1,253 1,254 152,255 3.162,259 48.229,261 1.041,262 14.399,265 1,266 1,267 1,268 1,269 1,270 1,271 1,272 1,273 29.833,274 80,275 4.261,276 3.772,277 6.648,278 4.064,279 3.06,280 3.726,281 1.969,282 10.477,283 3.068,284 3.781,285 2.957,286 5.196,287 3.343,288 2.414,289 3.117,290 0.219,291 6.366,292 2.23,293 3.23,294 2.703,295 4.787,296 2.778,297 1.828,298 2.435,300 5.085,301 1.761,302 2.919,303 1.935,304 4.414,305 2.75,306 1.732,307 1.925,309 4,310 1.637,311 2.5,312 1,313 3.414,314 2,315 1,316 1.5,318 2.275,319 1,320 1.536,321 0.923,322 2.955,323 1.261,324 0.292,325 0.339,326 0.693,327 0.262,328 0.887,329 0.368,330 2,331 0.447,332 -0.414,333 -0.493,334 -0.957,335 -0.289,336 0.5,337 -0.087,338 2,339 0.042,340 -1,341 -1,342 -2,343 -1,344 0.399,345 -0.847,346 1.586,348 -1,349 -1.333,350 -2,351 -1,353 -1,354 1.557,356 -1,357 -1.5,358 -3,359 -1.011,360 -0.076,361 -1,362 1,363 -0.562,364 -1.31,365 -1.563,366 -3.137,367 -1.055,368 -0.5,369 -1.369,370 1,371 -0.73,372 -1.732,373 -1.893,374 -5.275,375 -1.746,376 -0.697,377 -1.635,378 0.857,379 -0.894,380 -1.869,381 -2.259,382 -0.684,383 -6,384 -1.858,385 -0.74,386 -2,387 0.586,388 -1,389 -2,390 -3,391 -1.504,392 -6.528,393 -2,403 6.948,404 0.496,405 0.48,406 0.034,407 15.25,408 1.089,409 7.5,410 0.536,411 7.75,412 0.554,413 11.279,414 0.806,415 15.852,416 0.566,417 9.179,418 0.656,419 2.877,420 0.206,421 3.642,422 0.26,423 0.352,425 0.36,429 0.653,430 1.087,431 0.666,432 0.918,433 0.717,434 0.953,435 0.422,436 1.05,437 0.623,438 0.925,439 0.421,440 0.94,441 1.02,442 1.122,443 0.985,444 1.081,445 1.075,446 1.096,447 0.819,448 1.126,449 0.76,450 1.002,451 0.803,452 0.954,453 1.642,454 1.13,455 0.896,456 0.996,457 1.981,458 1.17,459 0.732,460 0.789,461 0.718,462 0.752,463 0.781,464 0.79,465 0.535,466 0.641,467 1.114,468 0.834,469 0.303,470 0.681,471 5.647,472 0.14,473 9.369,474 3.625,475 2.791,476 2.555,477 3.5,479 1.778,480 1.5,481 0.702,482 0.347,483 0.323,487 1040,488 3586,489 1.805,490 50,491 7,492 4,495 2,496 1,499 1.514,500 1.615,501 2.532,502 0.477,504 1,506 1,507 43.249,508 1.545,509 3.236,510 3.682,511 3.825,512 3.825,513 3.825,514 1.959,515 2.664,516 3.779,517 2.647,518 240.863,519 6.323,520 1896.93,522 1,525 134.606,526 1.577,527 3.673,528 0.25,530 0.094,531 0.079,532 0.039,533 0.032,534 0.054,538 0.547,539 1,540 1,541 1.475,542 52.334,543 -0.072,544 0.155,545 -0.015,546 0.078,547 -0.114,548 0.047,549 0.175,550 0.043,551 0.104,552 0.073,553 0.192,554 0.069,555 -0.116,556 -0.102,557 -0.108,558 -0.095,559 -0.131,560 -0.117,561 0.015,562 -0.165,563 0.029,564 -0.076,565 0.092,566 0.001,567 -0.332,568 -0.106,569 -0.24,570 -0.16,571 -0.373,572 -0.308,573 0.043,574 0.024,575 0.172,576 0.155,577 -0.018,578 0.163,579 0.644,580 0.076,581 0.528,582 0.216,583 0.547,584 0.325,585 -1.675,586 0.183,587 -2.993,588 -1.669,589 -1.051,590 -1.296,591 1.956,592 4.216,593 0.429,594 7.265,595 0.998,596 1.127,597 2.821,598 7.956,599 0.666,600 2.708,601 2.996,602 3.135,603 3.296,604 3.219,605 3.045,606 3.045,607 2.197,610 3.685,611 0.616,612 211.71,613 2.708,614 4.205,615 5.004,616 5.861,617 6.681,618 7.541,619 8.368,620 9.227,621 10.059,622 10.915,623 3.6,628 1,633 4,638 2,639 6,648 1,649 28,650 7,651 1,652 14,654 28,655 11,656 6,657 2,658 4,660 1,661 1,662 1,663 2,671 7,672 4,673 2,674 1,677 1,680 1,682 1,684 14,685 2,686 2,687 3,688 1,691 1,692 1,693 1,704 1,708 1,717 1,721 2,722 1,724 14,725 1,733 2,740 1,741 3.6,744 1,747 8.667,748 5.393,749 3.167,750 1.661,751 1.239,752 1.242,753 0.902,754 3.671,755 6.363,756 2.944,757 3.45,758 3.834,759 4.316,760 4.696,761 4.594,762 4.751,763 4.343,766 0.75,767 19,768 5.147,769 0.002,770 2.075,771 7.984,772 9.67,773 0.001,774 7.569,775 0.001,776 2.484,777 34.778,778 0.004,781 141.253,782 66.946,783 32.897,784 39.149,785 25.145,788 66.946,789 205.547,790 32.897,791 17.65,792 32.897,793 37.905,794 29.85,795 6.686,797 141.253,798 39.149,799 141.253,800 99.843,801 25.145,802 39.149,804 141.253,805 25.145,807 50.548,808 49.296,809 39.149,811 141.253,812 58.042,813 106.095,815 141.253,816 11.391,817 55.555,819 97.191,820 141.253,821 58.042,822 106.095,823 0.584,824 0.325,825 0.171,826 0.072,827 8,828 5,829 0.107,830 3,832 1,833 2.45,834 81.016,836 6,837 47.303,840 11.219,841 4.58,842 2.817,844 58.042,845 7.236,850 1.595,851 32.897,852 305.39,853 18,856 11.216,859 -0.29,860 27.938,861 31.558,862 0.321,863 0.673,864 0.766,865 0.796,866 0.796,867 0.796,868 4.151,869 -1,870 5.017,871 -0.957,872 3.664,873 4.127,874 2.035,875 5.808,876 3.61,877 5.348,878 -1,879 6.583,880 -2,881 3.434,882 3.951,883 1.593,884 6.804,885 3.328,886 6.636,887 -1,888 8.255,889 -2,890 5.231,891 6.168,892 3.061,893 9.838,894 5.157,895 7.954,896 -1.31,897 9.987,898 -3,899 5.74,900 6.665,901 3.123,902 11.669,903 5.646,904 9.298,905 -1.732,906 11.759,907 -3.137,908 7.112,909 8.478,910 4.261,911 14.259,912 7.045,913 10.661,914 -1.869,915 13.56,916 -5.275,917 7.953,918 9.29,919 4.586,920 16.417,921 7.887,922 12.038,923 -2,924 15.382,925 -6,926 9.164,927 10.915,928 5.532,929 18.852,930 9.117,931 3.06,933 17.222,934 -6.528,935 10.156,936 11.905,937 6.005,938 21.133,939 10.119,940 2.414,941 10.477,942 19.075,944 11.304,945 13.421,946 6.84,947 23.513,948 11.28,949 1.828,950 6.366,951 20.938,952 3.726,953 12.364,954 14.521,955 7.398,956 25.837,957 12.351,958 1.732,959 5.085,960 22.808,961 3.117,962 13.49,963 15.968,964 8.167,965 28.198,966 13.487,967 1,968 4,969 24.684,970 2.435,971 14.58,972 17.14,973 8.774,974 30.538,975 14.586,976 0.292,977 2.275,978 26.565,979 1.925,980 15.698,981 18.541,982 9.505,983 32.891,984 15.712,985 -0.414,986 0.693,987 28.449,988 1.5,989 16.803,990 19.761,991 10.141,992 35.237,993 16.824,994 1198,995 2275,996 8.266,997 18.648,998 21.026,999 21.677,1000 22.257,1001 20.821,1002 20.652,1003 26.083,1004 4.376,1005 57.793,1006 19.919,1007 5.001,1008 5.772,1009 6.062,1010 5.064,1011 5.06,1012 6.726,1013 3.473,1014 17.005,1015 5.068,1016 9.071,1017 1.502,1018 1.548,1019 1.59,1020 1.487,1021 1.475,1022 1.863,1023 0.313,1024 4.128,1025 1.423,1026 3.962,1027 3.988,1028 4.01,1029 3.904,1030 7.436,1031 3.897,1032 3.655,1033 3.702,1034 3.66,1035 3.54,1036 4.945,1037 3.529,1038 3.33,1039 3.399,1040 3.223,1041 3.071,1042 4.875,1043 3.087,1044 2.874,1045 3.009,1046 3.168,1047 2.735,1048 4.34,1049 2.724,1050 2.87,1051 2.925,1052 2.687,1053 2.724,1054 4.12,1055 2.715,1056 2.854,1057 2.925,1058 2.499,1059 2.618,1060 3.674,1061 2.57,1062 2.406,1063 2.514,1064 2.353,1065 2.075,1066 3.467,1067 2.051,1068 2.094,1069 2.166,1070 2.028,1071 1.611,1072 3.259,1073 1.655,1074 0.304,1075 0.269,1076 0.475,1077 0.29,1078 0.219,1079 4.261,1080 0.266,1081 3.772,1082 0.141,1083 6.648,1084 0.748,1085 4.064,1086 0.219,1087 3.06,1088 3.726,1089 1.969,1090 10.477,1091 3.068,1092 1.941,1093 1.917,1094 2.059,1095 2.027,1096 1.314,1097 2.041,1098 1.653,1099 1.604,1100 1.868,1101 1.799,1102 0.999,1103 1.828,1104 1.236,1105 1.177,1106 1.459,1107 1.559,1108 0.5,1109 1.536,1110 0.934,1111 0.821,1112 1.417,1113 1.239,1114 0.469,1115 1.308,1116 0.886,1117 0.804,1118 1.181,1119 1.062,1120 0.218,1121 1.107,1122 0.811,1123 0.762,1124 1.073,1125 1.038,1127 1.069,1128 0.367,1129 0.237,1130 0.754,1131 0.691,1133 0.719,1136 0.461,1137 0.433,1139 0.423,1140 3.367,1142 4.654,1144 6.133,1146 7.704,1148 9.319,1150 3.952,1151 5.759,1153 5.336,1159 -0.027,1164 17.251,1165 43.249,1166 90.606,1167 103.096,1168 107.096,1169 107.096,1170 107.096,1171 29.518,1172 5.124,1173 43.09,1174 43.09,1175 6,1176 11.473,1177 3,1178 2.322,1179 27.704,1180 30,1181 30,1182 0.488,1183 116.307,1184 200.04,1185 275.548,1186 666,1187 3.6,1188 10.715,1189 0.765,1190 0.649,1191 11.215,1192 9.084,1193 6.52,1194 0.466,1195 0.353,1196 4.575,1197 6.101,1198 4.328,1199 3.674,1200 6.808,1201 4.946,1202 6.085,1203 0.32,1204 0.216,1205 6.494,1206 4.112,1207 4.144,1208 0.188,1209 0.112,1210 4.433,1211 2.454,1212 3.529,1213 0.136,1214 0.064,1215 3.696,1216 1.674,1217 2.056,1218 0.086,1219 0.036,1220 2.27,1221 0.861,1222 0.711,1223 43.16,1224 0.348,1225 13.954,1226 1.498,1227 66,1228 189.251,1229 84.761,1230 217.066,1231 273.62,1232 198,1233 74,1234 166.344,1235 86.252,1236 181.338,1237 257.9,1238 169,1239 4}
{0 CHEMBL596153,1 1.502,2 6.267,3 2.908,4 8.455,5 62.613,6 7.282,7 0.4,8 3.47,9 3.6,10 2.995,11 3.039,12 4.53,13 2.969,14 3.999,15 4.201,16 3.338,17 3.409,18 4.99,19 3.304,20 4.257,21 4.465,22 3.428,23 3.571,24 5.277,25 3.442,26 4.377,27 4.617,28 3.361,29 3.541,30 5.449,31 3.412,32 4.342,33 4.574,34 3.16,35 3.468,36 5.439,37 3.325,38 4.315,39 4.613,40 2.864,41 3.344,42 5.134,43 3.078,44 4.038,45 4.408,46 2.837,47 2.862,48 4.865,49 2.539,50 2.932,51 3.189,52 1.789,53 2.022,54 3.892,55 1.669,56 0.019,57 0.401,58 6.731,59 3.007,60 4.905,61 4.141,62 0.119,63 0.616,64 12.939,65 5.044,66 17.872,67 7.014,68 0.126,69 0.74,70 18.666,71 6.668,72 27.459,73 8.992,74 0.185,75 0.803,76 20.945,77 6.942,78 39.577,79 9.51,80 0.255,81 0.794,82 18.576,83 6.051,84 49.015,85 8.428,86 0.153,87 0.698,88 20.377,89 6.864,90 30.155,91 9.646,92 0.262,93 0.422,94 19.69,95 5.165,96 36.651,97 7.309,98 0.119,99 0.084,100 11.75,101 2.073,102 14.692,103 2.462,104 32,105 20,106 0.293,107 0.613,108 0.75,109 0.776,110 0.776,111 0.776,112 2.794,113 1.082,114 -4.32,115 -4.26,116 -4.02,118 38.7,119 2,121 2,123 1,131 4,132 1,133 1,142 1,154 8,157 1,159 1,161 1,162 12,166 2,170 2,171 10,175 4,179 4,181 7,185 2,188 2,190 5,198 1,201 1,205 1,207 2,224 233,225 9.629,226 9.629,227 9.629,228 9.629,229 9.629,230 8.748,231 9.712,232 5.63,233 9.823,234 7.278,235 7.278,236 7.278,237 7.278,238 7.278,239 5.927,240 9.369,241 2.526,242 7.57,243 3.452,244 1.808,245 1.105,246 0.976,247 0.976,248 0.976,249 3.403,250 1,253 1,254 179,255 3.317,259 52.84,261 0.951,262 13.305,265 1,266 1,267 1,268 1,269 1,270 1,271 1,272 1,273 31.833,274 94,275 4.274,276 3.807,277 6.679,278 4.08,279 3.077,280 3.73,281 1.987,282 10.624,283 3.082,284 3.798,285 2.963,286 5.226,287 3.356,288 2.424,289 3.143,290 0.324,291 6.433,292 2.248,293 3.28,294 2.718,295 4.844,296 2.886,297 1.906,298 2.491,300 5.267,301 1.855,302 2.948,303 1.935,304 4.611,305 2.76,306 1.796,307 1.967,309 4.426,310 1.643,311 2.5,312 1.105,313 3.414,314 2,315 1,316 1.5,318 2.275,319 1,320 1.612,321 1,322 3.169,323 1.47,324 0.531,325 0.56,326 1.035,327 0.487,328 1.424,329 0.889,330 2.377,331 1.044,332 0.055,333 0.068,334 0.088,335 0.049,336 0.885,337 0.279,338 2,339 0.441,340 -0.444,341 -0.546,342 -1.009,343 -0.33,344 0.5,345 -0.541,346 1.828,348 -1,349 -1,350 -2,351 -1,353 -0.98,354 1.561,356 -1,357 -1.5,358 -2.909,359 -1,360 -0.035,361 -1,362 1.39,363 -0.352,364 -1.295,365 -1.555,366 -3,367 -1.037,368 -0.154,369 -1,370 1,371 -0.573,372 -1.387,373 -1.703,374 -3.175,375 -1.368,376 -0.5,377 -1.419,378 0.857,379 -0.802,380 -1.78,381 -1.895,383 -5.275,384 -1.765,385 -0.739,386 -1.636,387 0.586,388 -0.91,389 -1.883,390 -2.259,391 -0.801,392 -6.177,393 -1.865,394 -0.793,395 -2,396 0.457,397 -1,398 -2,399 -3,400 -1.51,401 -6.605,402 -2,403 7.448,404 0.497,405 0.442,406 0.029,407 16,408 1.067,409 7.5,410 0.5,411 8.5,412 0.567,413 12.545,414 0.836,415 17.152,416 0.553,417 9.933,418 0.662,419 3.075,420 0.205,421 3.983,422 0.266,423 0.342,425 0.336,429 0.618,430 1.297,431 0.683,432 1.035,433 0.587,434 1.036,435 0.562,436 0.963,437 0.658,438 0.848,439 0.533,440 0.888,441 0.983,442 1.124,443 0.948,444 1.074,445 1.051,446 1.056,447 1.156,448 1.104,449 0.832,450 0.985,451 1.278,452 0.964,453 1.576,454 1.086,455 0.867,456 0.962,457 1.807,458 1.113,459 0.686,460 1.1,461 0.84,462 1.059,463 0.756,464 1.112,465 0.309,466 0.551,467 0.693,468 0.641,469 0.24,470 0.576,471 2.802,472 0.464,473 4.486,474 1.862,475 1.501,476 1.414,477 3.5,479 2,480 1.5,481 0.862,482 0.347,483 0.344,484 0.059,487 1265,488 3991,489 1.817,490 51.6,491 7,492 7,495 1,496 1,499 1.537,500 1.636,501 2.643,502 -0.265,504 1,505 1,506 1,507 46.561,508 1.502,509 3.146,510 3.849,511 3.978,512 3.978,513 3.978,514 2.149,515 3.323,516 3.877,517 2.734,518 287.064,519 6.529,520 2376.5,522 1,524 1,525 153.58,526 1.585,527 3.781,528 0.233,530 0.1,531 0.071,532 0.043,533 0.023,534 0.043,535 0.012,538 0.526,539 0.83,540 1,541 1.697,542 57.921,543 -0.029,544 -0.043,545 -0.002,546 -0.008,547 -0.059,548 -0.003,549 0.12,550 0.163,551 0.098,552 0.135,553 0.085,554 0.109,555 -0.065,556 -0.093,557 -0.053,558 -0.075,559 -0.058,560 -0.062,561 -0.074,562 -0.124,563 -0.023,564 -0.055,565 -0.008,566 -0.019,567 -0.297,568 -0.037,569 -0.202,570 -0.099,571 -0.267,572 -0.225,573 -0.005,574 -0.207,575 -0.025,576 -0.136,577 -0.075,578 -0.158,579 0.46,580 0.166,581 0.463,582 0.3,583 0.361,584 0.384,585 -0.586,586 0.095,587 -0.962,588 -0.455,589 -0.332,590 -0.306,591 1.618,592 4.695,593 0.4,594 8.169,595 0.994,596 1.128,597 3.092,598 9.563,599 0.658,600 2.773,601 3.045,602 3.219,603 3.367,604 3.367,605 3.135,606 3.135,607 2.565,608 1.099,610 3.874,611 0.606,612 225.74,613 2.773,614 4.263,615 5.069,616 5.922,617 6.751,618 7.608,619 8.446,620 9.303,621 10.144,622 11,623 3.2,628 1,633 4,638 2,639 6,648 1,649 31,650 7,651 1,652 15,654 31,655 12,656 6,657 2,658 4,660 1,661 1,662 1,663 2,671 7,672 5,673 2,674 1,677 1,680 1,682 1,684 16,685 2,686 1,687 3,688 1,691 1,692 1,693 1,704 1,709 1,717 1,721 3,722 1,724 15,730 1,733 2,740 1,741 3.2,744 1,747 9.167,748 6.31,749 3.5,750 1.89,751 1.214,752 1.232,753 0.894,754 4.306,755 6.455,756 2.996,757 3.481,758 3.897,759 4.342,760 4.741,761 4.638,762 4.808,763 4.541,764 2.784,766 1,767 21,768 5.53,769 -0.001,770 2.192,771 7.852,772 10.509,774 8.119,775 -0.001,776 2.352,777 35.278,778 0.004,781 176.567,782 75.343,783 18.011,784 39.149,785 25.145,788 75.343,789 240.86,790 18.011,791 26.047,792 18.011,793 37.905,794 29.85,795 6.686,797 176.567,798 39.149,799 176.567,800 93.353,801 25.145,802 39.149,804 176.567,805 25.145,807 35.661,808 57.692,809 39.149,811 176.567,812 43.156,813 114.491,815 176.567,816 11.391,817 63.952,818 18.011,819 64.294,820 176.567,821 43.156,822 114.491,823 0.574,824 0.336,825 0.174,826 0.084,827 8,828 5,829 0.097,830 3,832 1,833 2.551,834 89.602,836 6,837 52.603,840 12.214,841 5.288,842 3.047,844 43.156,845 7.439,850 1.701,851 18.011,852 334.213,853 19,856 11.695,859 0.048,860 30.822,861 34.973,862 0.303,863 0.635,864 0.777,865 0.803,866 0.803,867 0.803,868 4.197,869 -0.444,870 5.069,871 0.088,872 3.714,873 4.159,874 2.076,875 5.861,876 3.653,877 5.381,878 -1,879 6.635,880 -1.009,881 3.434,882 3.951,883 1.593,884 6.855,885 3.328,886 6.666,887 -1,888 8.306,889 -2,890 5.283,891 6.197,892 3.1,893 9.905,894 5.201,895 7.984,896 -1.295,897 10.038,898 -2.909,899 5.771,900 6.691,901 3.168,902 11.742,903 5.676,904 9.33,905 -1.387,906 11.81,907 -3,908 7.162,909 8.503,910 4.312,911 14.346,912 7.086,913 10.695,914 -1.78,915 13.612,916 -3.175,917 7.996,918 9.319,919 4.654,920 16.515,921 7.927,922 12.074,923 -1.883,924 15.436,925 -5.275,926 9.215,927 10.938,928 5.601,929 18.965,930 9.16,931 3.077,932 -2,933 17.277,934 -6.177,935 10.207,936 11.933,937 6.091,938 21.258,939 10.164,940 2.424,941 10.624,942 19.132,943 -6.605,944 11.361,945 13.444,946 6.927,947 23.653,948 11.329,949 1.906,950 6.433,951 20.997,952 3.73,953 12.425,954 14.548,955 7.5,956 25.991,957 12.403,958 1.796,959 5.267,960 22.87,961 3.143,962 13.556,963 15.991,964 8.273,965 28.365,966 13.542,967 1,968 4.426,969 24.749,970 2.491,971 14.651,972 17.166,973 8.894,974 30.719,975 14.646,976 0.531,977 2.275,978 26.633,979 1.967,980 15.774,981 18.565,982 9.631,983 33.087,984 15.776,985 0.055,986 1.035,987 28.521,988 1.5,989 16.884,990 19.787,991 10.279,992 35.446,993 16.892,994 1444,995 2624,996 8.959,997 20.409,998 21.938,999 23.123,1000 23.889,1001 21.751,1002 21.579,1003 26.918,1004 4.622,1005 60.297,1006 20.729,1007 5.067,1008 5.807,1009 6.222,1010 5.08,1011 5.077,1012 6.73,1013 3.497,1014 17.229,1015 5.082,1016 9.608,1017 1.463,1018 1.542,1019 1.593,1020 1.45,1021 1.439,1022 1.795,1023 0.308,1024 4.02,1025 1.382,1026 3.965,1027 3.992,1028 4.011,1029 3.906,1030 7.428,1031 3.898,1032 3.666,1033 3.713,1034 3.675,1035 3.546,1036 4.938,1037 3.537,1038 3.436,1039 3.525,1040 3.268,1041 3.175,1042 4.366,1043 3.188,1044 3.041,1045 3.107,1046 3.222,1047 2.883,1048 4.178,1049 2.859,1050 2.874,1051 3.009,1052 2.735,1053 2.735,1054 4.109,1055 2.715,1056 2.854,1057 2.925,1058 2.687,1059 2.618,1060 3.674,1061 2.57,1062 2.747,1063 2.77,1064 2.499,1065 2.555,1066 3.467,1067 2.556,1068 2.207,1069 2.327,1070 2.272,1071 1.907,1072 3.289,1073 1.889,1074 0.285,1075 0.254,1076 0.445,1077 0.272,1078 0.205,1079 4.274,1080 0.249,1081 3.807,1082 0.132,1083 6.679,1084 0.708,1085 4.08,1086 0.205,1087 3.077,1088 3.73,1089 1.987,1090 10.624,1091 3.082,1092 1.942,1093 1.918,1094 2.061,1095 2.031,1096 1.319,1097 2.044,1098 1.657,1099 1.609,1100 1.869,1101 1.807,1102 0.999,1103 1.832,1104 1.382,1105 1.296,1106 1.689,1107 1.682,1108 0.696,1109 1.692,1110 1.03,1111 0.963,1112 1.417,1113 1.258,1114 0.472,1115 1.308,1116 0.934,1117 0.821,1118 1.297,1119 1.239,1120 0.469,1121 1.278,1122 0.886,1123 0.804,1124 1.181,1125 1.062,1126 0.218,1127 1.107,1128 0.66,1129 0.632,1130 0.852,1131 0.878,1133 0.886,1134 0.194,1135 0.076,1136 0.674,1137 0.551,1139 0.61,1140 3.434,1142 4.71,1144 6.188,1146 7.759,1148 9.377,1150 5.733,1151 5.809,1156 2.688,1159 0.165,1164 18.778,1165 46.561,1166 97.526,1167 119.315,1168 123.315,1169 123.315,1170 123.315,1171 31.836,1172 5.242,1173 29.1,1174 29.1,1175 6,1176 11.556,1177 3,1178 2.322,1179 30.862,1180 33,1181 35,1182 0.479,1183 125.899,1184 217.34,1185 298.953,1186 779,1187 3.2,1188 11.422,1189 0.761,1190 0.667,1191 11.922,1192 10.006,1193 7.058,1194 0.471,1195 0.361,1196 5.021,1197 6.599,1198 4.724,1199 4.036,1200 7.346,1201 5.408,1202 6.227,1203 0.311,1204 0.216,1205 6.635,1206 4.324,1207 4.676,1208 0.195,1209 0.112,1210 4.964,1211 2.677,1212 3.609,1213 0.129,1214 0.064,1215 3.776,1216 1.791,1217 2.465,1218 0.088,1219 0.039,1220 2.679,1221 1.104,1222 0.701,1223 46.657,1224 0.334,1225 14.94,1226 1.464,1227 70,1228 198.272,1229 89.121,1230 223.933,1231 285.32,1232 206,1233 79,1234 174.908,1235 92.084,1236 189.831,1237 271.42,1238 177,1239 4.959}
{0 CHEMBL596154,1 1.404,2 7.111,3 3.839,4 14.739,5 76.417,6 6.696,7 0.333,8 3.708,9 3.847,10 3.156,11 3.265,12 4.704,13 3.18,14 4.27,15 4.484,16 3.56,17 3.656,18 5.203,19 3.546,20 4.582,21 4.798,22 3.589,23 3.852,24 5.545,25 3.703,26 4.791,27 5.095,28 3.59,29 3.826,30 5.722,31 3.663,32 4.576,33 4.779,34 3.436,35 3.725,36 5.738,37 3.607,38 4.611,39 4.886,40 3.412,41 3.798,42 5.41,43 3.598,44 4.608,45 4.879,46 3.314,47 3.735,48 5.497,49 3.461,50 4.606,51 5.003,52 2.417,53 3.336,54 5.105,55 2.913,56 0.035,57 0.517,58 9.37,59 4.053,60 7.952,61 5.69,62 0.132,63 0.82,64 17.391,65 6.752,66 21.272,67 9.58,68 0.21,69 1.063,70 25.389,71 8.566,72 34.576,73 12.232,74 0.231,75 1.134,76 30.711,77 10.254,78 48.421,79 14.55,80 0.381,81 0.984,82 23.906,83 7.501,84 74.356,85 10.447,86 0.167,87 1.015,88 25.31,89 9.424,90 30.935,91 13.263,92 0.252,93 0.963,94 27.544,95 9.632,96 43.894,97 13.516,98 0.252,99 0.735,100 30.745,101 8.864,102 39.72,103 12.467,104 57,105 26,106 0.257,107 0.53,108 0.621,109 0.706,110 0.706,111 0.706,112 2.96,113 1.11,114 -5.09,115 -4.99,116 -4.67,118 37.5,119 5,121 2,126 1,131 4,132 1,133 1,142 1,154 8,157 1,159 1,161 4,162 15,166 2,170 2,171 10,175 7,179 4,181 10,185 2,188 2,190 11,198 13,201 1,205 1,207 8,221 3,224 404,225 10.861,226 10.861,227 10.861,228 10.861,229 10.861,230 9.98,231 14.456,232 6.229,233 11.037,234 8.856,235 8.856,236 8.856,237 8.856,238 8.856,239 7.543,240 24.369,241 2.932,242 9.186,243 3.918,244 2.427,245 1.934,246 1.47,247 1.47,248 1.47,249 3.574,250 1,252 1,253 1,254 245,255 4.123,259 67.106,261 1.037,262 15.536,263 1,264 1,265 1,266 1,267 1,268 1,269 1,270 1,271 1,272 1,273 37.833,274 128,275 4.319,276 3.842,277 6.72,278 4.18,279 3.197,280 3.735,281 1.987,282 10.831,283 3.147,284 4.08,285 3.172,286 6.386,287 3.965,288 2.974,289 3.258,290 0.324,291 9.9,292 2.936,293 3.756,294 2.941,295 5.214,296 3.34,297 2.411,298 2.982,300 6.415,301 2.227,302 3.222,303 2.688,304 4.826,305 2.787,306 1.83,307 2.411,309 5.232,310 1.773,311 2.921,312 1.935,313 4.587,314 2.755,315 1.746,316 1.927,318 4.389,319 1.639,320 2.5,321 1,322 3.414,323 2,324 1,325 1.5,326 2.275,327 1,328 1.542,329 0.928,330 3.284,331 1.299,332 0.338,333 0.38,334 0.868,335 0.305,336 0.901,337 0.492,338 2.736,339 0.584,340 -0.333,341 -0.382,342 -0.831,343 -0.242,344 0.859,345 0.168,346 2,347 0.43,348 -0.54,349 -0.695,350 -1.339,351 -0.516,352 0.5,353 -0.727,354 2,356 -1,357 -1,358 -2,359 -1,361 -1,362 2,364 -1,365 -1,366 -3,367 -1,369 -1,370 2,372 -1,373 -1,374 -3,375 -1,377 -1,378 1.635,380 -1,381 -1.5,383 -3,384 -1,385 -0.065,386 -1,387 1.56,388 -0.51,389 -1.305,390 -1.559,392 -3.13,393 -1.038,394 -0.396,395 -1.177,396 1.195,397 -0.597,398 -1.565,399 -1.874,401 -5.056,402 -1.566,403 8.948,404 0.497,405 0.796,406 0.044,407 17.5,408 0.972,409 7.5,410 0.417,411 10,412 0.556,413 19.389,414 1.077,415 21.052,416 0.526,417 10.998,418 0.611,419 2.985,420 0.166,421 5.219,422 0.29,423 0.396,424 0.056,425 0.279,429 0.626,430 1.337,431 0.762,432 1.118,433 0.653,434 1.119,435 0.484,436 1.146,437 0.63,438 0.915,439 0.453,440 0.9,441 1.237,442 1.238,443 1.121,444 1.188,445 1.139,446 1.236,447 0.846,448 0.871,449 0.602,450 0.775,451 0.897,452 0.708,453 2.616,454 1.031,455 1.058,456 0.926,457 3.291,458 1.114,459 0.646,460 1.012,461 0.794,462 0.974,463 0.643,464 1.009,465 0.342,466 1.364,467 1.023,468 1.391,469 0.38,470 1.395,471 0.596,472 0.47,473 1.019,474 0.688,475 0.398,476 0.629,477 6,479 2.222,480 2,481 1.022,482 0.903,483 0.507,484 0.113,485 0.135,487 2132,488 5518,489 1.777,490 55,491 7,492 4,495 1,496 1,497 9,499 1.593,500 1.577,501 2.791,502 -0.334,504 1,506 1,507 56.166,508 1.404,509 2.895,510 3.388,511 3.852,512 3.852,513 3.852,514 2.197,515 3.35,516 4.141,517 2.95,518 451.374,519 7.061,520 4286.18,522 1,523 1,524 1,525 212.877,526 1.788,527 4.01,528 0.333,530 0.085,531 0.083,532 0.039,533 0.043,534 0.025,535 0.01,536 0.034,538 0.654,539 0.67,540 1,541 1.809,542 75.44,543 -0.019,544 -0.037,546 -0.009,547 -0.095,548 -0.004,549 0.195,550 -0.004,551 0.168,552 0.112,553 0.165,554 0.141,555 -0.178,556 -0.098,557 -0.207,558 -0.199,559 -0.171,560 -0.243,561 0.106,562 0.04,563 0.198,564 0.129,565 0.195,566 0.223,567 -0.496,568 0.05,569 -0.293,570 -0.031,571 -0.504,572 -0.212,573 -0.011,574 -0.022,575 0.008,576 -0.002,577 0.004,578 -0.019,579 0.206,580 -0.402,581 -0.096,582 -0.387,583 0.089,584 -0.388,585 0.066,586 0.22,587 0.124,588 0.214,589 0.051,590 0.275,591 1.597,592 5.342,593 0.333,594 11.111,595 0.987,596 1.13,597 3.862,598 14.911,599 0.642,600 2.944,601 3.296,602 3.332,603 3.555,604 3.555,605 3.555,606 3.367,607 2.944,608 2.708,609 1.946,610 4.455,611 0.584,612 267.83,613 2.944,614 4.489,615 5.273,616 6.163,617 6.971,618 7.862,619 8.68,620 9.57,621 10.394,622 11.281,623 2.5,628 1,633 4,638 2,639 6,648 1,649 40,650 7,651 1,652 18,654 40,655 15,656 6,657 2,658 4,660 1,661 1,662 1,663 5,671 7,672 8,673 3,674 1,677 1,680 1,682 1,684 22,685 2,686 1,687 3,688 1,691 1,692 1,693 1,704 1,709 1,717 1,721 5,722 1,724 18,730 1,733 2,735 1,740 1,741 2.5,744 1,747 11.417,748 8.56,749 3.875,750 2.452,751 1.145,752 1.206,753 0.873,754 4.945,755 6.698,756 3.135,757 3.651,758 3.956,759 4.453,760 4.792,761 4.774,762 4.913,763 4.737,764 4.202,765 3.841,766 0.8,767 24,768 6.673,770 2.681,771 7.752,772 12.818,774 10.135,776 2.252,777 40.528,778 0.002,781 247.193,782 93.422,783 18.011,784 39.149,785 25.145,788 93.422,789 311.487,790 18.011,791 44.126,792 18.011,793 37.905,794 29.85,795 6.686,797 247.193,798 39.149,799 247.193,800 111.433,801 25.145,802 39.149,804 141.253,805 131.085,807 62.137,808 49.296,809 39.149,811 247.193,812 43.156,813 132.57,815 247.193,816 11.391,817 82.031,818 18.011,819 64.294,820 247.193,821 43.156,822 132.57,823 0.598,824 0.294,825 0.157,826 0.076,827 11,828 7,829 0.1,830 4,832 1,833 2.777,834 118.239,836 6,837 64.304,840 15.201,841 5.856,842 4.745,844 43.156,845 7.512,850 1.702,851 18.011,852 422.919,853 22,856 12.342,859 0.069,860 39.472,861 45.219,862 0.264,863 0.544,864 0.637,865 0.724,866 0.724,867 0.724,868 4.401,869 -0.333,870 5.361,871 0.868,872 3.97,873 4.331,874 2.076,875 6.205,876 3.912,877 5.636,878 -0.54,879 6.961,880 -0.831,881 4.007,882 4.331,883 1.593,884 7.473,885 3.914,886 6.959,887 -1,888 8.669,889 -1.339,890 5.68,891 6.375,892 3.1,893 10.371,894 5.583,895 8.306,896 -1,897 10.434,898 -2,899 6.382,900 6.98,901 3.168,902 12.328,903 6.263,904 9.674,905 -1,906 12.233,907 -3,908 7.697,909 8.675,910 4.312,911 14.87,912 7.574,913 11.058,914 -1,915 14.056,916 -3,917 8.655,918 9.547,919 4.654,920 17.074,921 8.517,922 12.452,923 -1.305,924 15.895,925 -3,926 9.853,927 11.094,928 5.601,929 19.5,930 9.708,931 3.197,932 -1.565,933 17.745,934 -3.13,935 10.917,936 12.115,937 6.091,938 21.797,939 10.759,940 2.974,941 10.831,942 19.605,943 -5.056,944 12.075,945 13.579,946 6.927,947 24.182,948 11.907,949 2.411,950 9.9,951 21.472,952 3.735,953 13.183,954 14.694,955 7.5,956 26.517,957 13.001,958 1.83,959 6.415,960 23.343,961 3.258,962 14.328,963 16.107,964 8.273,965 28.888,966 14.135,967 1.746,968 5.232,969 25.22,970 2.982,971 15.456,972 17.284,973 8.894,974 31.239,975 15.249,976 1,977 4.389,978 27.099,979 2.411,980 16.599,981 18.663,982 9.631,983 33.606,984 16.379,985 0.338,986 2.275,987 28.981,988 1.927,989 17.736,990 19.885,991 10.279,992 35.966,993 17.501,994 2383,995 3929,996 10.345,997 25.694,998 27.567,999 28.557,1000 28.418,1001 27.118,1002 26.994,1003 32.385,1004 4.622,1005 79.818,1006 26.054,1007 5.216,1008 5.842,1009 6.134,1010 5.18,1011 5.197,1012 6.735,1013 3.497,1014 17.742,1015 5.147,1016 12.947,1017 1.531,1018 1.587,1019 1.579,1020 1.507,1021 1.5,1022 1.799,1023 0.257,1024 4.434,1025 1.447,1026 3.973,1027 4.002,1028 4.013,1029 3.909,1030 7.428,1031 3.902,1032 3.753,1033 3.81,1034 3.719,1035 3.614,1036 4.938,1037 3.61,1038 3.614,1039 3.674,1040 3.515,1041 3.499,1042 4.411,1043 3.48,1044 3.233,1045 3.279,1046 3.222,1047 3.023,1048 4.327,1049 3.027,1050 2.874,1051 3.009,1052 3.058,1053 2.735,1054 4.122,1055 2.715,1056 2.874,1057 3.009,1058 2.687,1059 2.678,1060 3.674,1061 2.684,1062 2.874,1063 3.009,1064 2.499,1065 2.618,1066 3.517,1067 2.57,1068 2.854,1069 2.925,1070 2.499,1071 2.618,1072 3.467,1073 2.57,1074 0.24,1075 0.213,1076 0.373,1077 0.232,1078 0.178,1079 4.319,1080 0.207,1081 3.842,1082 0.11,1083 6.72,1084 0.602,1085 4.18,1086 0.175,1087 3.197,1088 3.735,1089 1.987,1090 10.831,1091 3.147,1092 1.944,1093 1.92,1094 2.065,1095 2.039,1096 1.322,1097 2.05,1098 1.734,1099 1.677,1100 1.963,1101 1.906,1102 1.15,1103 1.929,1104 1.634,1105 1.576,1106 1.867,1107 1.785,1108 0.999,1109 1.821,1110 1.161,1111 1.114,1112 1.417,1113 1.422,1114 0.509,1115 1.408,1116 0.934,1117 0.821,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.804,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.804,1130 1.367,1131 1.239,1132 0.469,1133 1.308,1134 0.886,1135 0.804,1136 1.181,1137 1.062,1138 0.218,1139 1.107,1140 3.611,1142 4.949,1144 6.447,1146 8.021,1148 9.635,1150 10.085,1151 5.881,1156 3.042,1159 0.106,1161 -0.212,1164 23.359,1165 56.166,1166 115.781,1167 135.519,1168 154.083,1169 154.083,1170 154.083,1171 49.256,1172 5.553,1173 29.1,1174 29.1,1175 6,1176 11.825,1177 3,1178 2.322,1179 41.411,1180 45,1181 50,1182 0.453,1183 154.676,1184 269.24,1185 369.169,1186 1187,1187 2.5,1188 13.922,1189 0.773,1190 0.695,1191 14.422,1192 12.506,1193 8.204,1194 0.456,1195 0.37,1196 6.279,1197 7.76,1198 5.813,1199 5.011,1200 8.493,1201 6.658,1202 8.583,1203 0.33,1204 0.248,1205 8.992,1206 6.449,1207 4.966,1208 0.184,1209 0.108,1210 5.255,1211 2.928,1212 4.439,1213 0.131,1214 0.061,1215 4.605,1216 2.082,1217 2.64,1218 0.078,1219 0.036,1220 2.855,1221 1.212,1222 0.675,1223 53.359,1224 0.311,1225 17.777,1226 1.348,1227 88,1228 216.272,1229 108.121,1230 244.841,1231 314.12,1232 224,1233 97,1234 199.753,1235 110.584,1236 218.107,1237 309.01,1238 201,1239 4}
{0 CHEMBL596580,1 1.827,2 7.684,3 3.154,4 9.946,5 79.393,6 8.964,7 0.55,8 3.586,9 3.695,10 3.371,11 3.212,12 4.743,13 3.151,14 4.075,15 4.233,16 3.728,17 3.581,18 5.165,19 3.493,20 4.318,21 4.508,22 3.629,23 3.676,24 5.382,25 3.552,26 4.433,27 4.661,28 3.674,29 3.662,30 5.548,31 3.554,32 4.41,33 4.604,34 3.592,35 3.638,36 5.666,37 3.526,38 4.391,39 4.645,40 3.598,41 3.658,42 5.304,43 3.457,44 4.185,45 4.406,46 3.585,47 3.473,48 5.305,49 3.258,50 3.865,51 4.137,52 2.8,53 2.914,54 4.903,55 2.691,56 0.064,57 0.494,58 5.734,59 2.913,60 6.712,61 3.614,62 0.14,63 0.752,64 11.888,65 5.076,66 18.253,67 6.513,68 0.246,69 0.861,70 19.65,71 7.178,72 33.133,73 8.671,74 0.257,75 0.922,76 22.722,77 7.879,78 35.466,79 9.857,80 0.448,81 0.926,82 18.623,83 6.924,84 68.798,85 7.856,86 0.254,87 0.909,88 24.017,89 8.413,90 35.266,91 10.371,92 0.297,93 0.769,94 27.675,95 7.852,96 33.179,97 8.45,98 0.345,99 0.503,100 22.943,101 4.185,102 34.985,103 4.596,104 18,105 27,106 0.342,107 0.686,108 0.777,109 0.8,110 0.8,111 0.8,112 3.01,113 1.06,114 -3.46,115 -3.44,116 -3.29,118 39.4,119 2,121 2,131 4,132 1,133 1,134 1,141 1,142 1,150 1,154 8,157 1,159 1,161 1,162 12,166 2,168 2,170 2,171 10,175 4,179 4,181 7,184 2,185 4,188 2,190 5,194 4,198 1,201 9,205 1,207 2,211 4,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.808,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.418,243 3.217,244 1.382,245 0.894,246 0.773,247 0.773,248 0.773,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 17.81,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.833,274 146,275 4.289,276 3.818,277 6.685,278 4.089,279 3.09,280 3.739,281 1.987,282 10.662,283 3.088,284 3.945,285 2.972,286 5.452,287 3.472,288 2.559,289 3.501,290 0.324,291 7.244,292 2.329,293 3.753,294 2.755,295 5.182,296 3.309,297 2.39,298 3.109,300 6.354,301 2.17,302 3.253,303 2.524,304 4.809,305 2.803,306 1.839,307 2.472,309 5.186,310 1.777,311 2.947,312 1.935,313 4.565,314 2.758,315 1.772,316 1.976,318 4.38,319 1.641,320 2.558,321 1.318,322 3.449,323 2.099,324 1.131,325 1.56,326 2.496,327 1.086,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.54,340 0.618,341 0.927,342 1.372,343 0.562,344 1.542,345 0.618,346 3,347 1.275,348 0.314,349 0.364,350 0.787,351 0.282,352 0.971,353 0.402,354 2.441,355 0.567,356 -0.337,357 -0.404,358 -0.819,359 -0.246,360 0.882,361 0.114,362 2,363 0.431,364 -0.525,365 -0.705,366 -1.237,367 -0.484,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.385,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.567,398 -1.398,399 -1.802,401 -3.177,402 -1.362,403 9.581,404 0.504,405 0.511,406 0.027,407 23.25,408 1.224,409 12,410 0.632,411 11.25,412 0.592,413 15.888,414 0.836,415 20.419,416 0.619,417 14.258,418 0.75,419 4.301,420 0.226,421 4.774,422 0.251,423 0.214,425 0.313,429 0.555,430 1.127,431 0.606,432 0.889,433 0.552,434 0.872,435 0.507,436 1.172,437 0.61,438 0.912,439 0.534,440 0.904,441 0.941,442 0.935,443 0.967,444 1.028,445 1.075,446 1.091,447 0.907,448 0.966,449 0.655,450 0.869,451 1.042,452 0.9,453 1.546,454 0.908,455 0.813,456 0.838,457 2.097,458 1.045,459 0.722,460 0.892,461 0.805,462 0.865,463 0.742,464 0.928,465 0.648,466 1.359,467 1.537,468 1.609,469 0.369,470 1.203,471 2.06,472 0.707,473 2.21,474 1.121,475 1.177,476 1.114,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 10718,489 1.965,490 42.4,491 7,492 4,494 1,495 1,496 1,499 1.607,500 1.81,501 2.928,502 -0.198,504 1,506 1,507 60.301,508 1.827,509 3.662,510 4.15,511 4.271,512 4.271,513 4.271,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 166.465,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.5,540 1,541 0.92,542 81.822,543 0.068,544 0.008,545 0.048,546 -0.008,547 -0.019,548 0.01,549 0.164,550 -0.141,551 0.127,552 -0.006,553 0.095,554 0.035,555 -0.041,556 0.008,557 -0.126,558 -0.121,559 -0.089,560 -0.132,561 0.033,562 -0.091,563 0.106,564 -0.007,565 0.092,566 0.079,567 -0.206,568 0.052,569 -0.14,570 0.009,571 -0.245,572 -0.16,573 0.005,574 0.009,575 0.116,576 0.139,577 -0.038,578 0.113,579 0.189,580 -0.344,581 -0.119,582 -0.3,583 0.238,584 -0.128,585 -0.651,586 0.312,587 -0.587,588 -0.091,589 -0.381,590 -0.162,591 1.719,592 5.344,593 0.579,594 12.648,595 1.01,596 1.123,597 2.232,598 4.982,599 0.714,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.665,612 295.82,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 9.1,628 1,631 2,633 5,634 2,637 1,638 3,639 11,648 1,649 33,650 12,651 1,652 20,654 34,655 13,656 8,657 2,658 4,660 2,661 2,662 1,663 2,671 9,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 14,685 4,686 1,687 6,688 2,691 3,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,724 19,730 1,733 2,740 1,741 3,744 1,747 10.5,748 6.46,749 4.25,750 1.967,751 1.704,752 1.288,753 0.935,754 4.751,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 6.991,770 2.884,771 7.857,772 13.177,774 10.45,776 2.357,777 44.778,778 0.001,781 153.024,782 107.975,783 49.527,784 39.149,785 25.145,787 31.052,788 76.923,789 217.318,790 49.527,791 17.65,792 18.011,793 37.905,794 73.137,795 16.663,797 172.305,798 39.149,799 153.024,800 126.45,801 25.145,802 70.201,804 153.024,805 25.145,807 45.638,808 49.296,809 70.665,810 31.052,811 153.024,812 74.672,813 147.124,815 153.024,816 43.372,817 64.603,818 18.011,819 95.81,820 153.024,821 74.672,822 147.124,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.118,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,838 1,840 14.257,841 6.331,842 3.66,844 74.672,845 8.915,846 7.423,849 1.164,850 2.275,851 18.011,852 374.82,853 26.5,856 12.344,859 -0.052,860 33.334,861 37.06,862 0.362,863 0.726,864 0.823,865 0.847,866 0.847,867 0.847,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.913,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.455,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.401,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.791,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.224,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 8.015,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.251,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.229,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.391,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.452,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.589,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.687,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.815,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.929,994 3028,995 5896,996 12.83,997 23.546,998 29.962,999 30.402,1000 30.632,1001 29.59,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 27.872,1007 5.177,1008 5.818,1009 6.3,1010 5.149,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.088,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.48,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.394,1026 3.972,1027 3.998,1028 4.187,1029 3.91,1030 7.428,1031 3.902,1032 3.77,1033 3.806,1034 4.005,1035 3.693,1036 5.027,1037 3.64,1038 3.624,1039 3.678,1040 3.647,1041 3.522,1042 4.937,1043 3.497,1044 3.257,1045 3.304,1046 3.223,1047 3.035,1048 4.356,1049 3.043,1050 2.874,1051 3.009,1052 3.145,1053 2.735,1054 4.126,1055 2.715,1056 2.854,1057 2.925,1058 2.687,1059 2.692,1060 3.88,1061 2.699,1062 2.842,1063 2.883,1064 2.601,1065 2.618,1066 3.674,1067 2.57,1068 2.382,1069 2.482,1070 2.499,1071 2.192,1072 3.467,1073 2.076,1074 0.214,1075 0.191,1076 0.334,1077 0.204,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.089,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.088,1092 1.942,1093 1.919,1094 2.059,1095 2.028,1096 1.319,1097 2.042,1098 1.658,1099 1.612,1100 1.868,1101 1.801,1102 0.999,1103 1.829,1104 1.435,1105 1.398,1106 1.529,1107 1.64,1108 0.63,1109 1.63,1110 1.107,1111 1.064,1112 1.417,1113 1.375,1114 0.469,1115 1.34,1116 0.934,1117 0.874,1118 1.292,1119 1.239,1120 0.455,1121 1.308,1122 0.921,1123 0.821,1124 1.181,1125 1.108,1126 0.218,1127 1.141,1128 0.886,1129 0.804,1130 0.944,1131 1.062,1133 1.107,1134 0.687,1135 0.678,1136 0.738,1137 0.851,1139 0.871,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.035,1151 5.875,1156 2.838,1159 -0.04,1164 21.954,1165 60.301,1166 120.855,1167 136.955,1168 140.955,1169 140.955,1170 140.955,1171 35.59,1172 5.922,1173 54.88,1174 83.12,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 146.963,1184 246.61,1185 350.349,1186 2133,1187 3,1188 13.828,1189 0.728,1190 0.642,1191 14.682,1192 12.203,1193 9.075,1194 0.454,1195 0.353,1196 5.952,1197 8.039,1198 5.631,1199 4.747,1200 9.818,1201 7.065,1202 8.205,1203 0.304,1204 0.214,1205 9.223,1206 5.766,1207 6.212,1208 0.188,1209 0.11,1210 7.117,1211 3.618,1212 5.266,1213 0.128,1214 0.06,1215 6.056,1216 2.479,1217 3.233,1218 0.081,1219 0.033,1220 3.739,1221 1.334,1222 0.476,1223 64.155,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 298.422,1229 139.958,1230 342.831,1231 447.91,1232 316,1233 107,1234 285.069,1235 141.702,1236 316.515,1237 449.48,1238 295,1239 4.244}
{0 CHEMBL604059,1 1.694,2 10.769,3 3.662,4 13.412,5 106.249,6 7.88,7 0.393,8 3.994,9 4.111,10 3.65,11 3.563,12 5.02,13 3.502,14 4.567,15 4.746,16 4.083,17 3.969,18 5.543,19 3.891,20 4.818,21 5.008,22 4.059,23 4.157,24 5.78,25 4.02,26 4.99,27 5.247,28 4.112,29 4.194,30 5.95,31 4.032,32 4.904,33 5.118,34 4.006,35 4.092,36 6.005,37 3.966,38 4.835,39 5.091,40 3.976,41 4.019,42 5.78,43 3.848,44 4.64,45 4.876,46 3.958,47 3.912,48 5.673,49 3.735,50 4.443,51 4.62,52 3.539,53 3.713,54 5.488,55 3.551,56 0.016,57 0.723,58 10.692,59 4.932,60 7.222,61 6.303,62 0.291,63 1.191,64 23.733,65 8.096,66 27.98,67 10.793,68 0.346,69 1.444,70 32.198,71 11.58,72 38.018,73 14.66,74 0.346,75 1.62,76 43.865,77 14.755,78 51.338,79 18.964,80 0.493,81 1.539,82 37.682,83 11.52,84 74.129,85 14.153,86 0.419,87 1.397,88 34.704,89 11.268,90 48.879,91 14.823,92 0.475,93 1.19,94 39.222,95 10.619,96 47.39,97 12.421,98 0.305,99 0.865,100 30.955,101 8.343,102 41.211,103 10.071,104 27,105 40,106 0.289,107 0.609,108 0.739,109 0.753,110 0.753,111 0.753,112 3.304,113 1.059,114 -4.39,115 -4.32,116 -4.07,118 38,119 3,121 1,122 1,124 4,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,157 3,159 2,161 2,162 15,165 2,166 2,170 2,171 11,174 1,175 7,178 1,179 5,181 10,185 5,188 2,190 9,193 2,194 6,198 6,201 5,204 1,205 1,207 5,211 5,218 1,219 4,221 1,224 1022,225 16.971,226 16.971,227 16.971,228 16.971,229 16.971,230 15.521,231 23.329,232 9.959,233 17.663,234 13.837,235 13.837,236 13.837,237 13.837,238 13.837,239 11.638,240 34.231,241 4.756,242 15.029,243 3.95,244 2.068,245 1.306,246 1.226,247 1.226,248 1.226,249 3.978,250 1,253 1,254 593,255 3.937,258 80.857,259 192.943,261 1.497,262 24.18,265 1,266 1,267 1,268 1,269 1,270 1,271 1,272 1,273 55.833,274 280,275 4.512,276 3.904,277 7.378,278 4.432,279 3.431,280 3.833,281 1.987,282 12.793,283 3.433,284 4.208,285 3.169,286 6.183,287 3.797,288 2.921,289 3.759,290 0.86,291 9.233,292 2.56,293 3.906,294 3.09,295 5.729,296 3.53,297 2.561,298 3.313,299 0.8,300 7.73,301 2.487,302 3.643,303 2.917,304 5.41,305 3.359,306 2.443,307 2.782,308 0.324,309 7.058,310 2.242,311 3.416,312 2.533,313 5.072,314 3.074,315 2.159,316 2.606,318 6.053,319 1.918,320 3.227,321 2.398,322 4.805,323 2.803,324 1.866,325 2.387,326 5.168,327 1.674,328 2.814,329 2.196,330 4.31,331 2.509,332 1.612,333 1.853,334 4.05,335 1.422,336 2.5,337 1.431,338 3.628,339 2,340 1.073,341 1.5,342 2.61,343 1,344 2.285,345 1.256,346 3.456,347 1.956,348 1,349 1.236,350 2.275,351 0.946,352 2.078,353 1.054,354 3.414,355 1.952,356 1,357 1,358 2.136,359 0.938,360 2,361 1,362 3.263,363 1.506,364 0.677,365 0.95,366 1.664,367 0.553,368 1.645,369 0.727,370 3.247,371 1.349,372 0.392,373 0.459,374 1.105,375 0.353,376 0.997,377 0.423,378 2.652,379 0.585,380 -0.306,381 -0.366,383 -0.771,384 -0.225,385 0.904,386 0.164,387 2.502,388 0.44,389 -0.486,390 -0.61,392 -1.182,393 -0.42,394 0.5,395 -0.36,396 2.231,397 0.228,398 -0.711,399 -0.795,401 -1.63,402 -0.667,403 12.914,404 0.497,405 0.83,406 0.032,407 29.25,408 1.125,409 12.5,410 0.481,411 16.75,412 0.644,413 27.51,414 1.058,415 29.086,416 0.582,417 19.855,418 0.764,419 5.279,420 0.203,421 7.064,422 0.272,423 0.197,424 0.039,425 0.263,429 0.744,430 1.38,431 0.678,432 1.007,433 0.614,434 0.989,435 0.93,436 1.052,437 0.696,438 0.846,439 0.615,440 0.822,441 1.048,442 1.129,443 1.063,444 1.104,445 1.064,446 1.172,447 0.563,448 1.014,449 0.807,450 1.024,451 0.752,452 0.9,453 1.512,454 1.122,455 1.073,456 1.086,457 2.21,458 1.067,459 0.875,460 0.978,461 0.806,462 0.831,463 1.01,464 0.911,465 0.872,466 0.978,467 1.519,468 1.311,469 0.738,470 0.942,471 1.753,472 1.247,473 2.06,474 1.504,475 2.04,476 1.452,477 6.5,478 0.099,479 3.111,480 2.535,481 1.383,482 1.018,483 0.716,484 0.369,485 0.33,486 0.197,487 7685,488 21660,489 2.005,490 48,491 9,492 12,494 1,495 1,496 1,499 1.692,500 1.846,501 3.341,502 -0.294,504 1,507 84.688,508 1.694,509 3.575,510 4.338,511 4.418,512 4.418,513 4.418,514 2.844,515 4.056,516 4.672,517 3.519,518 1143.79,519 8.101,520 14250.1,522 1,524 1,525 282.193,526 1.648,527 4.606,528 0.232,529 0.005,530 0.078,531 0.067,532 0.035,533 0.029,534 0.023,535 0.013,536 0.016,537 0.009,538 0.506,539 0.17,540 1,541 0.819,542 127.087,543 -0.024,544 -0.174,545 0.048,546 -0.023,547 -0.045,548 -0.005,549 0.039,550 0.062,551 0.141,552 0.125,553 0.07,554 0.138,555 -0.101,556 -0.065,557 -0.165,558 -0.12,559 -0.124,560 -0.198,561 0.162,562 -0.055,563 0.126,564 0.006,565 0.216,566 0.115,567 -0.269,568 -0.044,569 -0.182,570 -0.099,571 -0.304,572 -0.145,573 0.029,574 0.017,575 0.096,576 0.113,577 -0.049,578 0.05,579 0.073,580 0.154,581 -0.078,582 -0.023,583 0.161,584 0.076,585 -0.37,586 -0.287,587 -0.57,588 -0.434,589 -0.395,590 -0.449,591 1.72,592 6.019,593 0.654,594 22.331,595 1.002,596 1.127,597 3.158,598 9.976,599 0.676,600 3.367,601 3.714,602 3.912,603 4.174,604 4.248,605 4.277,606 4.394,607 4.331,608 4.357,609 4.317,610 6.233,611 0.626,612 393.98,613 3.367,614 4.92,615 5.753,616 6.642,617 7.492,618 8.385,619 9.242,620 10.136,621 10.996,622 11.891,623 6,627 1,628 1,631 1,633 5,634 1,637 1,638 4,639 11,646 1,648 1,649 50,650 12,651 1,652 28,654 52,655 19,656 9,657 2,658 4,660 3,661 3,662 1,663 3,664 1,671 10,672 9,673 1,674 1,677 1,680 1,682 1,684 24,685 5,686 1,687 7,688 2,691 3,692 1,693 2,703 1,704 2,709 1,716 1,717 3,719 1,721 3,722 1,724 26,729 4,730 1,731 1,733 1,734 1,735 1,737 1,740 1,741 4,744 1,745 1,747 14.083,748 9.793,749 5.583,750 2.958,751 1.78,752 1.258,753 0.937,754 6.207,755 8.688,756 3.57,757 4.107,758 4.545,759 5.078,760 5.362,761 5.498,762 5.778,763 5.825,764 5.881,765 6.055,766 1,767 38,768 9.652,770 4.067,771 7.687,772 18.617,774 15.315,776 2.187,777 56.861,779 1,780 1,781 270.735,782 130.923,783 37.921,784 39.149,785 36.145,787 31.278,788 99.645,789 346.029,790 37.921,791 26.476,792 31.407,793 37.905,794 69.406,795 20.288,797 290.242,798 39.149,799 270.735,800 137.566,801 36.145,802 70.426,804 270.735,805 25.145,806 11,807 68.36,808 52.42,809 55.934,810 31.278,811 270.735,812 74.065,813 170.072,815 270.735,816 57.495,817 76.552,818 18.011,819 92.079,820 270.735,821 74.065,822 170.072,823 0.591,824 0.327,825 0.178,826 0.088,827 19,828 9,829 0.096,830 5,832 1,833 3.715,834 214.375,836 17,837 109.457,838 1,840 19.589,841 8.238,842 4.974,844 74.065,845 9.295,846 4.387,849 1.5,850 3.295,851 18.011,852 514.872,853 34.5,856 13.019,859 -0.053,860 50.08,861 56.345,862 0.3,863 0.634,864 0.769,865 0.783,866 0.783,867 0.783,868 4.834,869 1.073,870 5.784,871 4.05,872 4.394,873 4.792,874 2.343,875 6.632,876 4.256,877 6.038,878 1,879 7.373,880 2.61,881 4.205,882 4.635,883 1.668,884 7.83,885 4.051,886 7.351,887 1,888 9.079,889 2.275,890 6.071,891 6.864,892 3.168,893 10.868,894 5.859,895 8.695,896 0.677,897 10.856,898 2.136,899 6.673,900 7.454,901 3.181,902 12.911,903 6.484,904 10.071,905 0.392,906 12.683,907 1.664,908 8.086,909 9.211,910 4.326,911 15.578,912 7.865,913 11.467,914 -0.306,915 14.546,916 1.105,917 9.029,918 10.14,919 4.656,920 17.941,921 8.844,922 12.88,923 -0.486,924 16.437,925 -0.771,926 10.293,927 11.695,928 5.604,929 20.514,930 10.099,931 3.431,932 -0.711,933 18.349,934 -1.182,935 11.387,936 12.798,937 6.091,938 22.993,939 11.226,940 2.921,941 12.793,942 20.278,943 -1.63,944 12.606,945 14.253,946 6.928,947 25.544,948 12.451,949 2.561,950 9.233,951 22.22,952 3.833,953 13.768,954 15.452,955 7.501,956 28.066,957 13.639,958 2.443,959 7.73,960 24.174,961 3.759,962 14.979,963 16.853,964 8.273,965 30.612,966 14.861,967 2.159,968 7.058,969 26.136,970 3.313,971 16.172,972 18.106,973 8.894,974 33.15,975 16.075,976 1.866,977 6.053,978 28.106,979 2.782,980 17.385,981 19.478,982 9.631,983 35.696,984 17.3,985 1.612,986 5.168,987 30.081,988 2.606,989 18.594,990 20.764,991 10.279,992 38.241,993 18.524,994 7521,995 12758,996 18.087,997 33.807,998 42.897,999 43.801,1000 43.218,1001 42.337,1002 42.272,1003 51.355,1004 7.942,1005 123.75,1006 39.049,1007 5.512,1008 5.904,1009 7.18,1010 5.571,1011 5.431,1012 6.833,1013 3.497,1014 20.42,1015 5.433,1016 14.168,1017 1.532,1018 1.564,1019 1.543,1020 1.512,1021 1.51,1022 1.834,1023 0.284,1024 4.42,1025 1.395,1026 3.995,1027 4.023,1028 4.238,1029 3.93,1030 7.428,1031 3.919,1032 3.881,1033 3.917,1034 4.009,1035 3.821,1036 4.941,1037 3.767,1038 3.704,1039 3.749,1040 3.696,1041 3.603,1042 4.853,1043 3.589,1044 3.627,1045 3.674,1046 3.579,1047 3.45,1048 4.598,1049 3.445,1050 3.298,1051 3.333,1052 3.283,1053 3.087,1054 4.387,1055 3.102,1056 3.111,1057 3.206,1058 3.164,1059 2.941,1060 4.199,1061 2.91,1062 2.879,1063 3.009,1064 2.866,1065 2.735,1066 3.86,1067 2.735,1068 2.874,1069 3.009,1070 2.687,1071 2.732,1072 3.674,1073 2.715,1074 0.161,1075 0.139,1076 0.264,1077 0.158,1078 0.123,1079 4.512,1080 0.137,1081 3.904,1082 0.071,1083 7.378,1084 0.457,1085 4.432,1086 0.123,1087 3.431,1088 3.833,1089 1.987,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.72,1099 1.671,1100 1.916,1101 1.953,1102 1.205,1103 1.948,1104 1.708,1105 1.662,1106 1.898,1107 1.834,1108 1.021,1109 1.863,1110 1.378,1111 1.341,1112 1.513,1113 1.638,1114 0.825,1115 1.607,1116 1.263,1117 1.233,1118 1.48,1119 1.431,1120 0.589,1121 1.434,1122 1.153,1123 1.064,1124 1.417,1125 1.376,1126 0.521,1127 1.429,1128 1.041,1129 1.018,1130 1.417,1131 1.239,1132 0.469,1133 1.308,1134 0.934,1135 0.821,1136 1.365,1137 1.239,1138 0.469,1139 1.308,1140 4.043,1142 5.38,1143 2.398,1144 6.895,1145 4.595,1146 8.49,1147 6.581,1148 10.129,1150 6.187,1151 5.994,1155 3.153,1156 2.999,1157 5.382,1159 -0.296,1160 2.233,1161 -0.234,1164 31.303,1165 84.688,1166 178.77,1167 216.909,1168 220.909,1169 220.909,1170 220.909,1171 52.419,1172 6.908,1173 54.46,1174 82.7,1175 17,1176 12.423,1177 3.7,1178 2.907,1179 44.314,1180 96,1181 98,1182 0.224,1183 201.12,1184 346.84,1185 482.492,1186 8445,1187 2,1188 18.734,1189 0.721,1190 0.649,1191 19.587,1192 16.862,1193 12.342,1194 0.441,1195 0.353,1196 8.679,1197 11.167,1198 8.234,1199 6.849,1200 13.039,1201 9.887,1202 11.962,1203 0.299,1204 0.222,1205 13.039,1206 8.888,1207 8.785,1208 0.179,1209 0.114,1210 9.846,1211 5.603,1212 7.704,1213 0.12,1214 0.065,1215 8.714,1216 4.129,1217 5.346,1218 0.077,1219 0.036,1220 6.189,1221 2.471,1222 0.35,1223 84.327,1224 0.235,1225 25.088,1226 0.618,1227 136,1228 386.158,1229 190.149,1230 420.093,1231 556.6,1232 392,1233 157,1234 359.414,1235 200.201,1236 391.266,1237 571.68,1238 365,1239 5.796}
{0 CHEMBL606629,1 2.064,2 10.533,3 5.274,4 27.819,5 100.646,6 10.104,7 0.355,8 3.969,9 4.06,10 3.775,11 3.496,12 5.267,13 3.501,14 4.562,15 4.696,16 4.379,17 3.907,18 6.499,19 3.92,20 4.825,21 4.945,22 4.464,23 4.094,24 6.562,25 4.082,26 5.115,27 5.33,28 4.713,29 4.088,30 7.061,31 4.106,32 4.871,33 5.059,34 4.196,35 3.947,36 6.427,37 3.94,38 4.76,39 4.998,40 4.078,41 3.953,42 5.978,43 3.817,44 4.681,45 4.891,46 4.111,47 3.884,48 6.057,49 3.777,50 4.47,51 4.592,52 3.941,53 3.674,54 6.373,55 3.619,56 0.457,57 1.121,58 4.806,59 4.996,60 87.548,61 4.451,62 1.648,63 2.34,64 16.012,65 8.553,66 319.715,67 8.216,68 1.688,69 2.044,70 21.247,71 11.647,72 306.674,73 10.816,74 3.149,75 3.441,76 53.612,77 15.34,78 559.875,79 15.241,80 1.77,81 1.794,82 24.176,83 9.52,84 251.877,85 9.372,86 1.356,87 1.324,88 29.91,89 10.569,90 175.728,91 13.452,92 1.354,93 1.357,94 40.813,95 11.189,96 229.339,97 11.149,98 1.452,99 1.161,100 27.638,101 8.46,102 281.15,103 8.077,104 155,105 50,106 0.358,107 0.686,108 0.731,109 0.746,110 0.746,111 0.746,112 3.441,113 0.925,114 -5.35,115 -5.23,116 -4.89,118 38.3,119 3,121 1,122 1,126 1,127 2,131 4,132 1,133 1,134 1,140 1,142 1,146 1,154 9,157 2,159 2,161 2,162 15,166 2,170 3,171 11,174 1,175 7,178 1,179 5,181 10,185 4,187 1,188 2,190 9,194 5,198 6,201 3,204 1,205 2,207 5,214 2,219 1,220 5,221 1,224 1326,225 17.793,226 17.793,227 17.793,228 17.793,229 17.793,230 16.356,231 21.855,232 9.687,233 18.71,234 15.224,235 15.224,236 15.224,237 15.224,238 15.224,239 13.054,240 29.593,241 4.532,242 16.969,243 3.491,244 1.598,245 1.336,246 1.251,247 1.251,248 1.251,249 4.083,250 1,253 1,254 633,255 5.745,258 101.427,259 119.68,261 1.636,262 82.908,265 1,266 0.83,267 1,268 1,269 1,270 1,271 1,272 0.98,273 72.333,274 316,275 5.045,276 4.796,277 8.922,278 4.904,279 4.016,280 4.195,281 3.02,282 17.953,283 3.557,284 4.511,285 4.098,286 7.378,287 4.432,288 3.431,289 3.804,290 3.02,291 12.793,292 3.433,293 4.022,294 3.904,295 6.732,296 3.566,297 2.791,298 3.509,299 1.987,300 9.487,301 2.497,302 3.905,303 3.133,304 5.975,305 3.546,306 2.683,307 3.3,308 0.765,309 8.161,310 2.3,311 3.791,312 3.029,313 5.722,314 3.491,315 2.55,316 2.791,317 0.324,318 7.63,319 2.081,320 3.52,321 2.917,322 5.366,323 3.19,324 2.253,325 2.66,326 6.637,327 2.047,328 3.299,329 2.447,330 5.053,331 2.891,332 1.997,333 2.527,334 5.944,335 1.719,336 3.048,337 2.381,338 4.786,339 2.628,340 1.712,341 2.159,342 5.009,343 1.507,344 2.5,345 1.443,346 4.227,347 2,348 1.022,349 1.5,350 3.048,351 1,352 2.292,353 1.054,354 3.62,355 1.889,356 1,357 1.232,358 2.275,359 0.868,360 2.035,361 1,362 3.414,363 1.459,364 0.649,365 0.9,366 1.643,367 0.517,368 1.644,369 0.719,370 3.284,371 1.349,372 0.39,373 0.457,374 1.1,375 0.351,376 0.987,377 0.51,378 3.268,379 0.572,380 -0.318,381 -0.381,383 -0.8,384 -0.23,385 0.903,386 0.51,387 2.949,388 0.438,389 -0.503,390 -0.668,392 -1.241,393 -0.449,394 0.5,395 0.51,396 2.586,398 -1,399 -1,401 -3,402 -0.7,403 13.729,404 0.458,405 1.605,406 0.053,407 30.75,408 1.025,409 12,410 0.4,411 18.75,412 0.625,413 35.043,414 1.168,415 36.071,416 0.767,417 31.198,418 1.04,419 5.945,420 0.198,421 7.536,422 0.251,423 0.335,424 0.146,425 0.219,426 6,429 0.627,430 0.934,431 0.59,432 0.929,433 0.676,434 0.898,435 0.388,436 0.646,437 0.518,438 0.826,439 0.429,440 0.78,441 0.601,442 1.022,443 0.927,444 1.271,445 0.628,446 1.288,447 0.571,448 0.805,449 0.634,450 1.021,451 0.59,452 0.829,453 0.885,454 0.714,455 0.872,456 0.828,457 0.945,458 1.091,459 0.304,460 0.402,461 0.706,462 0.798,463 0.353,464 1.006,465 0.671,466 0.704,467 1.45,468 1.273,469 0.607,470 1.014,471 0.679,472 0.849,473 1.865,474 1.448,475 0.579,476 1.547,477 11.5,478 0.214,479 6,480 4.875,481 2.017,482 1.657,483 0.9,484 0.607,485 0.498,486 0.657,487 9512,488 47955,489 1.803,490 36.2,491 9,492 4,494 1,495 2,496 1,499 1.731,500 1.579,501 3.238,502 0.375,507 97.01,508 2.064,509 3.957,510 4.219,511 4.304,512 4.304,513 4.304,514 2.68,515 3.831,516 4.884,517 3.525,518 1533.34,519 8.529,520 21007.9,525 261.066,526 1.889,527 4.72,528 0.371,529 0.005,530 0.12,531 0.092,532 0.035,533 0.039,534 0.026,535 0.018,536 0.017,537 0.02,538 0.743,539 0.17,540 0.88,541 1.188,542 152.549,543 -0.055,544 -0.024,545 -0.002,546 0.061,547 -0.107,548 0.042,549 0.429,550 0.373,551 0.248,552 0.181,553 0.401,554 0.172,555 0.157,556 -0.139,557 -0.09,558 -0.25,559 0.131,560 -0.323,561 0.383,562 0.115,563 0.395,564 -0.01,565 0.368,566 0.218,567 -0.103,568 0.058,569 -0.162,570 -0.018,571 -0.138,572 -0.185,573 0.214,574 0.132,575 0.23,576 0.123,577 0.124,578 0.117,579 -0.007,580 0.01,581 -0.121,582 -0.02,583 0.029,584 0.122,585 0.156,586 -0.052,587 -0.55,588 -0.38,589 0.246,590 -0.538,591 7.281,592 5.813,593 0.367,594 24.72,595 1.065,596 1.168,597 4.12,598 16.974,599 0.669,600 3.466,601 3.932,602 4.127,603 4.331,604 4.234,605 4.357,606 4.454,607 4.304,608 4.394,609 4.477,610 6.489,611 0.672,612 474.89,613 3.466,614 5.094,615 5.953,616 6.897,617 7.78,618 8.724,619 9.616,620 10.559,621 11.457,622 12.4,623 4.3,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 47,650 12,651 1,652 31,654 48,655 18,656 9,657 2,658 4,660 2,661 2,662 1,663 5,664 1,668 2,671 10,672 8,673 2,674 1,677 1,680 1,683 6,684 17,685 10,686 2,687 12,688 2,691 2,692 1,693 2,694 1,703 1,704 1,709 1,715 1,717 2,719 1,721 3,722 1,723 6,724 30,728 1,730 1,733 1,735 4,737 1,740 7,741 4.3,742 1,744 1,747 19,748 9.233,749 6.097,750 2.493,751 1.757,752 1.255,753 0.883,754 6.763,755 8.632,756 3.651,757 4.259,758 4.674,759 5.181,760 5.421,761 5.631,762 5.895,763 5.815,764 5.906,765 6.124,766 0.857,767 53,768 11.057,770 3.178,771 8.937,772 19.323,774 15.962,776 3.437,777 103.111,781 176.567,782 133.475,783 34.796,784 39.149,785 67.828,786 89.761,787 31.278,788 102.197,789 283.543,790 124.557,791 26.476,792 18.011,793 80.588,794 58.406,795 105.995,796 1.358,797 196.073,798 54.668,799 176.567,800 136.993,801 157.589,802 70.426,804 176.567,805 114.906,806 42.683,807 69.554,808 50.654,809 55.934,810 31.278,811 266.327,812 102.625,813 172.623,815 192.086,816 44.528,817 73.428,818 18.011,819 213.523,820 176.567,821 192.385,822 172.623,823 0.631,824 0.352,825 0.172,826 0.068,827 24,828 14,829 0.104,830 5,832 1,833 3.642,834 267.306,836 11,837 120.942,838 1,840 24.747,841 8.199,842 5.05,844 192.385,845 6.54,846 3.427,849 -0.107,850 -1.042,851 60.694,852 541.575,853 37.5,856 12.813,859 -0.687,860 50.054,861 54.885,862 0.372,863 0.712,864 0.759,865 0.775,866 0.775,867 0.775,868 5.002,869 1.712,870 6.12,871 5.944,872 4.615,873 4.945,874 3.597,875 7.151,876 4.419,877 6.307,878 1.022,879 7.857,880 5.009,881 4.89,882 5.13,883 3.834,884 8.913,885 4.561,886 7.704,887 1,888 9.734,889 3.048,890 6.558,891 7.117,892 5.347,893 12.058,894 6.206,895 9.136,896 0.649,897 11.697,898 2.275,899 7.534,900 7.951,901 6.204,902 14.602,903 7.069,904 10.6,905 0.39,906 13.717,907 1.643,908 8.921,909 9.582,910 7.402,911 17.522,912 8.409,913 12.089,914 -0.318,915 15.777,916 1.1,917 10.141,918 10.691,919 8.437,920 20.302,921 9.527,922 13.597,923 -0.503,924 17.868,925 -0.8,926 11.484,927 12.192,928 9.562,929 23.185,930 10.795,931 4.016,932 -1,933 19.98,934 -1.241,935 12.793,936 13.438,937 10.647,938 26.036,939 12.002,940 3.431,941 17.953,942 22.11,943 -3,944 14.142,945 14.884,946 11.756,947 28.916,948 13.255,949 2.791,950 12.793,951 24.253,952 4.195,953 15.488,954 16.204,955 12.855,956 31.789,957 14.492,958 2.683,959 9.487,960 26.405,961 3.804,962 16.848,963 17.627,964 13.96,965 34.672,966 15.745,967 2.55,968 8.161,969 28.566,970 3.509,971 18.211,972 18.988,973 15.063,974 37.553,975 16.993,976 2.253,977 7.63,978 30.732,979 3.3,980 19.58,981 20.403,982 16.168,983 40.438,984 18.247,985 1.997,986 6.637,987 32.903,988 2.791,989 20.953,990 21.788,991 17.273,992 43.323,993 19.5,994 9896,995 22642,996 17.682,997 31.426,998 50.194,999 48.896,1000 51.623,1001 49.322,1002 48.988,1003 58.071,1004 18.231,1005 163.359,1006 43.756,1007 5.94,1008 6.796,1009 8.337,1010 6.039,1011 6.016,1012 7.195,1013 4.53,1014 27.44,1015 5.557,1016 24.219,1017 1.619,1018 1.577,1019 1.665,1020 1.591,1021 1.58,1022 1.873,1023 0.588,1024 5.27,1025 1.411,1026 3.998,1027 4.023,1028 4.254,1029 3.935,1030 8.527,1031 3.921,1032 3.899,1033 3.914,1034 4.009,1035 3.852,1036 8.499,1037 3.805,1038 3.701,1039 3.745,1040 3.711,1041 3.604,1042 7.999,1043 3.59,1044 3.567,1045 3.607,1046 3.661,1047 3.302,1048 7.999,1049 3.346,1050 3.276,1051 3.31,1052 3.283,1053 3.066,1054 7.999,1055 3.08,1056 3.143,1057 3.196,1058 3.216,1059 2.735,1060 7.999,1061 2.734,1062 2.874,1063 3.009,1064 3.159,1065 2.715,1066 7.428,1067 2.72,1068 2.874,1069 3.009,1070 2.687,1071 2.618,1072 6.437,1073 2.715,1074 0.163,1075 0.155,1076 0.288,1077 0.158,1078 0.13,1079 5.045,1080 0.135,1081 4.796,1082 0.097,1083 8.922,1084 0.579,1085 4.904,1086 0.115,1087 4.016,1088 4.195,1089 3.02,1090 17.953,1091 3.557,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.709,1099 1.666,1100 1.898,1101 1.863,1102 1.021,1103 1.863,1104 1.638,1105 1.636,1106 1.627,1107 1.834,1108 0.91,1109 1.791,1110 1.378,1111 1.333,1112 1.461,1113 1.636,1114 0.555,1115 1.606,1116 1.09,1117 1.042,1118 1.417,1119 1.35,1120 0.469,1121 1.317,1122 0.992,1123 0.99,1124 1.417,1125 1.276,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.222,1131 1.239,1132 0.298,1133 1.308,1134 0.934,1135 0.804,1136 1.181,1137 1.239,1138 0.218,1139 1.137,1140 4.143,1142 5.572,1143 2.398,1144 7.174,1145 4.595,1146 8.864,1147 6.605,1148 10.605,1150 5.224,1151 5.843,1152 78.042,1154 9.441,1156 2.247,1159 -0.814,1161 -17.816,1164 31.582,1165 97.01,1166 185.972,1167 198.272,1168 202.272,1169 202.272,1170 202.272,1171 133.802,1172 6.875,1173 62.22,1174 90.46,1175 11,1176 12.902,1177 3.7,1178 2.907,1179 69.141,1180 120,1181 118,1182 0.293,1183 199.315,1184 367.32,1185 478.09,1186 7289,1187 14.9,1188 23.121,1189 0.771,1190 0.58,1191 18.975,1192 17.393,1193 13.481,1194 0.435,1195 0.308,1196 8.254,1197 11.922,1198 7.926,1199 6.525,1200 11.678,1201 9.561,1202 15.203,1203 0.304,1204 0.181,1205 12.928,1206 9.043,1207 10.36,1208 0.17,1209 0.09,1210 8.844,1211 5.518,1212 8.506,1213 0.113,1214 0.052,1215 7.378,1216 3.893,1217 4.775,1218 0.07,1219 0.03,1220 5.03,1221 2.067,1222 0.454,1223 94.585,1224 0.238,1225 27.848,1226 0.82,1227 162,1228 897.594,1229 247.102,1230 748.705,1231 925.38,1232 682,1233 192,1234 575.991,1235 261.39,1236 570.246,1237 880.7,1238 529,1239 5.921}
{0 CHEMBL607315,1 1.587,2 10.769,3 5.498,4 30.224,5 108.506,6 8.191,7 0.607,8 3.918,9 4.027,10 3.613,11 3.593,12 5.014,13 3.517,14 4.429,15 4.586,16 4.043,17 3.995,18 5.476,19 3.896,20 4.699,21 4.868,22 4.027,23 4.145,24 5.721,25 4.004,26 4.9,27 5.153,28 4.085,29 4.136,30 5.921,31 3.99,32 4.785,33 4.979,34 3.962,35 4.057,36 5.95,37 3.938,38 4.774,39 5.023,40 3.949,41 4.031,42 5.72,43 3.85,44 4.603,45 4.834,46 3.94,47 3.921,48 5.677,49 3.741,50 4.34,51 4.505,52 3.49,53 3.73,54 5.426,55 3.556,56 0.022,57 0.616,58 8.925,59 4.424,60 6.826,61 5.696,62 0.159,63 1.034,64 18.414,65 7.696,66 21.618,67 10.103,68 0.137,69 1.287,70 26.744,71 10.737,72 30.977,73 13.362,74 0.286,75 1.56,76 38.884,77 13.848,78 49.697,79 17.507,80 0.384,81 1.453,82 29.891,83 10.407,84 69.735,85 11.835,86 0.24,87 1.414,88 32.998,89 11.834,90 41.894,91 14.786,92 0.389,93 1.242,94 38.115,95 11.202,96 47.638,97 12.28,98 0.235,99 0.795,100 28.314,101 7.992,102 35.814,103 9.426,104 27,105 40,106 0.27,107 0.585,108 0.683,109 0.758,110 0.768,111 0.768,112 3.304,113 1.03,114 -6.19,115 -6.03,116 -5.61,118 44.7,119 3,121 1,122 1,131 9,132 2,133 1,134 1,140 1,142 1,146 1,154 15,157 2,159 2,161 2,162 22,166 3,170 2,171 16,174 1,175 9,179 6,181 12,185 6,188 4,190 10,194 7,197 2,198 7,201 5,205 2,207 9,211 2,215 11,219 2,221 18,224 1022,225 16.971,226 16.971,227 16.971,228 16.971,229 16.971,230 14.808,231 12.875,232 9.959,233 17.388,234 13.837,235 13.837,236 13.837,237 13.837,238 13.837,239 10.668,240 16.869,241 4.756,242 14.606,243 3.968,244 2.122,245 1.544,246 1.107,247 1.049,248 1.049,249 3.978,250 1,253 1,254 593,255 3.937,258 80.857,259 192.943,261 1.497,262 19.985,265 0.75,266 0.83,267 1,268 0.8,269 0.5,270 1,271 1,272 0.84,273 54.333,274 280,275 4.512,276 3.904,277 7.378,278 4.432,279 3.431,280 3.96,281 1.987,282 12.793,283 3.433,284 4.291,285 3.124,286 6.183,287 3.847,288 2.921,289 3.797,290 0.324,291 9.233,292 2.725,293 3.906,294 2.92,295 5.729,296 3.532,297 2.561,298 3.343,300 7.73,301 2.494,302 3.786,303 2.905,304 5.41,305 3.376,306 2.443,307 3.236,309 7.058,310 2.26,311 3.481,312 2.422,313 5.072,314 3.089,315 2.159,316 2.654,318 6.053,319 1.961,320 3.277,321 2.363,322 4.805,323 2.821,324 1.866,325 2.524,326 5.168,327 1.704,328 3.052,329 1.73,330 4.31,331 2.581,332 1.612,333 2.242,334 4.05,335 1.535,336 2.535,337 1.147,338 3.628,339 2.036,340 1.073,341 1.545,342 2.61,343 1.023,344 2.5,345 1.05,346 3.456,347 2,348 1,349 1.5,350 2.275,351 1,352 2.5,353 1,354 3.414,355 2,356 1,357 1.5,358 2.136,359 1,360 2.169,361 1,362 3.263,363 1.522,364 0.677,365 1.007,366 1.664,367 0.561,368 1.645,369 0.684,370 3.247,371 1.349,372 0.392,373 0.46,374 1.105,375 0.353,376 1.011,377 0.419,378 2.652,379 0.59,380 -0.306,381 -0.37,383 -0.771,384 -0.225,385 0.904,386 0.156,387 2.502,388 0.441,389 -0.486,390 -0.639,392 -1.182,393 -0.425,394 0.724,395 -0.63,396 2.231,397 0.278,398 -0.711,399 -0.982,401 -1.63,402 -0.7,403 13.181,404 0.507,405 0.83,406 0.032,407 33.5,408 1.288,409 18,410 0.692,411 15.5,412 0.596,413 24.473,414 0.941,415 27.019,416 0.575,417 22.892,418 0.88,419 6.162,420 0.237,421 6.18,422 0.238,423 0.193,424 0.038,425 0.266,429 0.627,430 1.065,431 0.659,432 0.843,433 0.613,434 0.868,435 0.466,436 0.969,437 0.66,438 0.859,439 0.53,440 0.838,441 1.015,442 1.245,443 1.071,444 1.19,445 1.094,446 1.209,447 0.774,448 0.976,449 0.727,450 0.894,451 0.82,452 0.804,453 2.116,454 1.09,455 1.045,456 0.978,457 2.469,458 1.044,459 1.031,460 1.035,461 0.859,462 0.894,463 1.019,464 0.916,465 1.127,466 0.958,467 1.553,468 1.297,469 0.725,470 0.919,471 1.995,472 1.033,473 2.179,474 1.472,475 1.725,476 1.42,477 6.5,478 0.099,479 3.111,480 2.535,481 1.383,482 1.018,483 0.716,484 0.369,485 0.33,486 0.197,487 7685,488 21441,489 2.005,490 44.7,491 9,492 9,494 1,495 1,496 1,499 1.692,500 1.846,501 3.341,502 -0.37,507 74.588,508 1.587,509 3.433,510 4.011,511 4.447,512 4.506,513 4.506,514 2.844,515 4.056,516 4.672,517 3.519,518 1143.79,519 8.101,520 14250.1,525 261.066,526 1.648,527 4.606,528 0.232,529 0.005,530 0.078,531 0.067,532 0.035,533 0.029,534 0.023,535 0.013,536 0.016,537 0.009,538 0.506,539 0.33,540 0.88,541 0.819,542 127.087,543 -0.02,544 -0.005,545 0.036,546 0.047,547 -0.073,548 0.035,549 0.231,550 0.069,551 0.152,552 0.088,553 0.109,554 0.103,555 -0.105,556 -0.253,557 -0.172,558 -0.231,559 -0.133,560 -0.261,561 0.192,562 -0.009,563 0.187,564 0.095,565 0.239,566 0.195,567 -0.403,568 0.003,569 -0.214,570 -0.051,571 -0.374,572 -0.169,573 -0.043,574 -0.021,575 0.093,576 0.1,577 -0.058,578 0.065,579 0.059,580 0.184,581 -0.092,582 -0.026,583 0.202,584 0.093,585 -0.441,586 -0.112,587 -0.641,588 -0.431,589 -0.336,590 -0.441,591 1.728,592 6.013,593 0.654,594 22.331,595 0.995,596 1.111,597 4.963,598 24.629,599 0.715,600 3.367,601 3.714,602 3.912,603 4.174,604 4.248,605 4.277,606 4.394,607 4.331,608 4.357,609 4.317,610 6.233,611 0.66,612 384.96,613 3.367,614 4.92,615 5.753,616 6.642,617 7.492,618 8.385,619 9.242,620 10.136,621 10.996,622 11.891,623 4.3,628 1,631 1,633 10,634 1,637 1,638 5,639 17,648 1,649 47,650 18,651 2,652 28,654 49,655 21,656 15,657 3,658 9,660 3,661 3,662 1,663 3,664 1,671 16,672 5,673 1,674 1,677 1,680 1,684 21,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 2,709 1,717 3,719 1,721 3,722 1,724 26,730 1,733 1,735 1,737 1,740 1,741 2.1,744 1,747 14.083,748 9.343,749 5.583,750 2.715,751 2.781,752 1.403,753 0.957,754 5.666,755 9.689,756 3.651,757 4.238,758 4.735,759 5.306,760 5.688,761 5.833,762 6.197,763 6.373,764 6.565,765 6.765,766 1,767 38,768 9.614,770 4.054,771 7.693,772 18.42,774 15.102,776 2.193,777 57.028,781 235.422,782 168.523,783 34.796,784 39.149,785 25.145,787 31.278,788 137.245,789 299.716,790 34.796,791 26.476,792 18.011,793 85.286,794 58.406,795 19.42,796 1.358,797 254.929,798 39.149,799 235.422,800 172.041,801 25.145,802 70.426,804 235.422,805 25.145,807 54.035,808 101.221,809 55.934,810 31.278,811 235.422,812 59.941,813 207.671,815 235.422,816 47.713,817 120.809,818 18.011,819 81.079,820 235.422,821 59.941,822 207.671,823 0.591,824 0.327,825 0.178,826 0.088,827 19,828 9,829 0.102,830 5,832 1,833 3.715,834 214.375,836 17,837 109.457,838 1,840 18.907,841 7.791,842 4.659,844 59.941,845 19.281,846 4.37,849 1.476,850 4.334,851 18.011,852 503.034,853 37.5,856 13.013,859 -0.061,860 46.767,861 52.222,862 0.286,863 0.618,864 0.722,865 0.801,866 0.811,867 0.811,868 4.892,869 1.073,870 5.784,871 4.05,872 4.394,873 4.924,874 2.076,875 6.632,876 4.303,877 6.119,878 1,879 7.373,880 2.61,881 4.205,882 4.705,883 1.593,884 7.83,885 4.086,886 7.435,887 1,888 9.079,889 2.275,890 6.071,891 7.059,892 3.1,893 10.868,894 5.93,895 8.784,896 0.677,897 10.856,898 2.136,899 6.673,900 7.579,901 3.168,902 12.911,903 6.532,904 10.162,905 0.392,906 12.683,907 1.664,908 8.086,909 9.442,910 4.312,911 15.578,912 7.937,913 11.56,914 -0.306,915 14.546,916 1.105,917 9.029,918 10.317,919 4.654,920 17.941,921 8.895,922 12.974,923 -0.486,924 16.437,925 -0.771,926 10.293,927 11.952,928 5.601,929 20.514,930 10.16,931 3.431,932 -0.711,933 18.349,934 -1.182,935 11.387,936 13.024,937 6.091,938 22.993,939 11.271,940 2.921,941 12.793,942 20.278,943 -1.63,944 12.606,945 14.537,946 6.927,947 25.544,948 12.497,949 2.561,950 9.233,951 22.22,952 3.96,953 13.768,954 15.725,955 7.5,956 28.066,957 13.675,958 2.443,959 7.73,960 24.174,961 3.797,962 14.979,963 17.17,964 8.273,965 30.612,966 14.895,967 2.159,968 7.058,969 26.136,970 3.343,971 16.172,972 18.426,973 8.894,974 33.15,975 16.101,976 1.866,977 6.053,978 28.106,979 3.236,980 17.385,981 19.834,982 9.631,983 35.696,984 17.323,985 1.612,986 5.168,987 30.081,988 2.654,989 18.594,990 21.132,991 10.279,992 38.241,993 18.543,994 7521,995 12702,996 18.087,997 33.586,998 43.167,999 43.656,1000 43.218,1001 42.368,1002 42.272,1003 55.537,1004 4.622,1005 123.75,1006 40.096,1007 5.407,1008 5.904,1009 7.18,1010 5.557,1011 5.431,1012 6.96,1013 3.497,1014 20.42,1015 5.433,1016 14.168,1017 1.542,1018 1.559,1019 1.543,1020 1.513,1021 1.51,1022 1.983,1023 0.165,1024 4.42,1025 1.432,1026 4.009,1027 4.033,1028 4.251,1029 3.971,1030 7.428,1031 3.942,1032 3.934,1033 3.957,1034 4.009,1035 3.899,1036 4.943,1037 3.881,1038 3.72,1039 3.758,1040 3.743,1041 3.645,1042 4.89,1043 3.616,1044 3.658,1045 3.701,1046 3.686,1047 3.592,1048 4.664,1049 3.557,1050 3.3,1051 3.335,1052 3.284,1053 3.094,1054 4.387,1055 3.11,1056 2.883,1057 3.009,1058 3.166,1059 2.774,1060 4.199,1061 2.767,1062 2.874,1063 3.009,1064 2.71,1065 2.735,1066 3.787,1067 2.715,1068 2.874,1069 2.928,1070 2.687,1071 2.735,1072 3.674,1073 2.715,1074 0.161,1075 0.139,1076 0.264,1077 0.158,1078 0.123,1079 4.512,1080 0.141,1081 3.904,1082 0.071,1083 7.378,1084 0.457,1085 4.432,1086 0.123,1087 3.431,1088 3.96,1089 1.987,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.907,1099 1.885,1100 2.015,1101 1.971,1102 1.106,1103 1.992,1104 1.708,1105 1.664,1106 1.898,1107 1.834,1108 1.021,1109 1.863,1110 1.379,1111 1.349,1112 1.483,1113 1.638,1114 0.589,1115 1.607,1116 1.311,1117 1.28,1118 1.417,1119 1.418,1120 0.526,1121 1.433,1122 1.045,1123 1.02,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.386,1131 1.239,1132 0.469,1133 1.308,1134 0.934,1135 0.821,1136 1.181,1137 1.159,1138 0.295,1139 1.197,1140 4.043,1142 5.38,1143 2.398,1144 6.895,1145 4.595,1146 8.49,1147 6.581,1148 10.129,1150 6.176,1151 5.992,1156 2.987,1159 -0.302,1161 -0.239,1164 31.04,1165 74.588,1166 161.343,1167 188.497,1168 209.027,1169 211.781,1170 211.781,1171 50.91,1172 6.908,1173 41.99,1174 70.23,1175 17,1176 12.423,1177 4.248,1178 3.392,1179 44.314,1180 96,1181 98,1182 0.224,1183 200.731,1184 342.83,1185 481.545,1186 8445,1187 2.1,1188 18.734,1189 0.721,1190 0.637,1191 19.587,1192 16.565,1193 12.342,1194 0.441,1195 0.343,1196 8.475,1197 11.399,1198 7.993,1199 6.732,1200 13.039,1201 9.614,1202 11.962,1203 0.299,1204 0.218,1205 13.039,1206 8.703,1207 8.785,1208 0.179,1209 0.109,1210 9.846,1211 5.34,1212 7.704,1213 0.12,1214 0.061,1215 8.714,1216 3.896,1217 5.346,1218 0.077,1219 0.034,1220 6.189,1221 2.335,1222 0.35,1223 82.752,1224 0.235,1225 25.088,1226 0.618,1227 136,1228 354.777,1229 184.299,1230 404.898,1231 541.93,1232 376,1233 157,1234 356.96,1235 194.574,1236 394.998,1237 573.07,1238 369,1239 6.155}
{0 CHEMBL607691,1 1.844,2 9.227,3 2.775,4 7.702,5 87.475,6 8.891,7 0.478,8 3.723,9 3.834,10 3.471,11 3.34,12 4.923,13 3.285,14 4.213,15 4.364,16 3.899,17 3.722,18 5.437,19 3.637,20 4.459,21 4.628,22 3.895,23 3.814,24 5.633,25 3.712,26 4.564,27 4.776,28 3.847,29 3.783,30 5.808,31 3.687,32 4.525,33 4.731,34 3.693,35 3.733,36 5.74,37 3.627,38 4.492,39 4.731,40 3.732,41 3.738,42 5.535,43 3.572,44 4.332,45 4.543,46 3.763,47 3.634,48 5.674,49 3.465,50 4.05,51 4.214,52 3.24,53 3.38,54 5.21,55 3.215,56 0.073,57 0.553,58 6.369,59 3.439,60 11.255,61 4.033,62 0.232,63 0.862,64 13.89,65 6.013,66 34.526,67 7.457,68 0.311,69 1.002,70 23.063,71 8.108,72 47.837,73 9.339,74 0.438,75 1.079,76 26.611,77 8.835,78 59.201,79 10.708,80 0.49,81 1.053,82 21.154,83 7.611,84 66.691,85 8.884,86 0.363,87 1.001,88 25.421,89 8.711,90 54.346,91 10.505,92 0.526,93 0.866,94 30.1,95 8.369,96 82.084,97 9.094,98 0.287,99 0.595,100 21.3,101 5.8,102 43.092,103 6.408,104 41,105 32,106 0.333,107 0.699,108 0.798,109 0.817,110 0.817,111 0.817,112 3.146,113 1.03,114 -3.77,115 -3.74,116 -3.55,118 39.5,119 2,121 2,131 4,132 1,133 1,134 1,140 1,142 2,146 1,147 1,148 1,149 1,154 8,157 2,158 1,159 3,161 2,162 12,166 3,170 3,171 10,173 1,174 2,175 6,177 1,178 1,179 4,181 8,185 4,186 1,187 1,188 2,189 1,190 7,194 4,198 5,200 1,201 4,203 1,204 1,205 2,207 4,209 1,211 2,214 2,217 2,219 5,220 4,221 1,223 4,224 662,225 14.137,226 14.137,227 14.137,228 14.137,229 14.137,230 12.518,231 15.699,232 8.219,233 14.533,234 11.302,235 11.302,236 11.302,237 11.302,238 11.302,239 8.845,240 19.22,241 3.858,242 12.039,243 3.404,244 1.378,245 0.829,246 0.724,247 0.724,248 0.724,249 3.797,250 1,252 1,253 1,254 414,255 3.873,258 70.887,259 82.255,261 1.36,262 27.541,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 47.833,274 203,275 4.307,276 3.819,277 6.686,278 4.09,279 3.093,280 3.858,281 1.987,282 10.664,283 3.087,284 4.205,285 3.505,286 6.001,287 3.757,288 2.841,289 3.724,290 0.98,291 8.575,292 2.607,293 3.811,294 2.971,295 5.35,296 3.374,297 2.437,298 3.161,299 0.324,300 6.773,301 2.27,302 3.554,303 2.756,304 5.153,305 3.164,306 2.239,307 2.815,309 6.256,310 2.038,311 3.221,312 2.551,313 4.799,314 2.764,315 1.82,316 2.426,318 5.134,319 1.689,320 2.936,321 1.935,322 4.55,323 2.716,324 1.717,325 1.953,326 4.312,327 1.631,328 2.578,329 1.687,330 3.671,331 2.058,332 1.088,333 1.515,334 2.629,335 1.033,336 2.5,337 1,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 2.164,345 0.925,346 3.253,347 1.499,348 0.66,349 0.981,350 1.608,351 0.541,352 1.543,353 0.748,354 3.145,355 1.276,356 0.319,357 0.368,358 0.809,359 0.286,360 0.997,361 0.426,362 2.521,363 0.575,364 -0.321,365 -0.385,366 -0.8,367 -0.236,368 0.883,369 0.173,370 2,371 0.431,372 -0.51,373 -0.674,374 -1.226,375 -0.455,376 0.5,377 0.061,378 1.938,379 0.052,380 -1,381 -1,383 -2,384 -1,385 0.484,386 -0.69,387 1.775,389 -1,390 -1.275,392 -2,393 -1,394 0.085,395 -1,396 1.59,398 -1,399 -1.5,401 -3,402 -1.016,403 10.914,404 0.496,405 0.706,406 0.032,407 27,408 1.227,409 13.5,410 0.614,411 13.5,412 0.614,413 19.182,414 0.872,415 23.886,416 0.629,417 18.646,418 0.848,419 5.054,420 0.23,421 5.326,422 0.242,423 0.255,425 0.366,429 0.701,430 1.107,431 0.645,432 0.811,433 0.652,434 0.831,435 0.444,436 1.045,437 0.645,438 0.91,439 0.473,440 0.875,441 1.008,442 1.223,443 1.019,444 1.173,445 1.037,446 1.102,447 0.821,448 1.051,449 0.821,450 1.014,451 0.857,452 0.972,453 1.26,454 0.912,455 0.815,456 0.842,457 1.325,458 1.026,459 0.886,460 0.928,461 0.859,462 0.867,463 0.849,464 0.923,465 0.652,466 0.942,467 1.48,468 1.347,469 0.413,470 1,471 1.493,472 1.114,473 2.031,474 1.501,475 1.301,476 1.494,477 5.5,478 0.065,479 2.667,480 2.097,481 1.272,482 0.761,483 0.589,484 0.254,485 0.276,486 0.097,487 4444,488 16480,489 1.919,490 42.1,491 7,492 4,494 1,495 3,496 1,499 1.647,500 1.737,501 3.167,502 1.114,503 1,504 1,506 1,507 70.063,508 1.844,509 3.87,510 4.419,511 4.524,512 4.524,513 4.524,514 2.652,515 3.823,516 4.43,517 3.324,518 767.947,519 7.621,520 8474.65,521 1,522 1,523 1,524 1,525 199.421,526 1.573,527 4.349,528 0.239,529 0.009,530 0.083,531 0.068,532 0.041,533 0.029,534 0.025,535 0.011,536 0.018,537 0.007,538 0.531,539 0.33,540 1,541 1.028,542 101.106,543 -0.095,544 0.054,545 0.014,546 0.095,547 -0.097,548 0.062,549 0.229,550 0.032,551 0.158,552 0.067,553 0.154,554 0.08,555 -0.094,556 -0.231,557 -0.085,558 -0.177,559 -0.1,560 -0.134,561 0.109,562 -0.095,563 0.029,564 -0.088,565 0.096,566 -0.001,567 -0.186,568 0.086,569 -0.113,570 0.01,571 -0.18,572 -0.12,573 -0.068,574 0.016,575 0.08,576 0.129,577 -0.068,578 0.095,579 0.262,580 0.107,581 -0.088,582 -0.068,583 0.364,584 0.053,585 -0.383,586 -0.183,587 -0.631,588 -0.438,589 -0.324,590 -0.499,591 2.226,592 5.525,593 0.5,594 16.727,595 1.014,596 1.123,597 2.544,598 6.472,599 0.704,600 3.178,601 3.497,602 3.689,603 3.892,604 3.932,605 3.951,606 3.97,607 3.85,608 3.807,609 3.611,610 5.51,611 0.663,612 337.86,613 3.178,614 4.71,615 5.533,616 6.402,617 7.245,618 8.115,619 8.965,620 9.836,621 10.689,622 11.559,623 7.9,628 2,631 1,633 5,634 1,637 1,638 4,639 11,641 1,648 1,649 38,650 13,651 1,652 23,654 39,655 15,656 9,657 2,658 4,659 1,660 2,661 2,662 1,663 2,671 11,672 4,673 2,674 2,677 2,680 2,681 1,682 1,684 16,685 5,686 3,687 7,688 2,691 3,692 1,693 2,703 1,704 1,709 1,717 2,719 1,721 2,722 1,724 22,725 1,730 1,733 2,737 1,740 1,741 5.3,744 2,747 12.667,748 7.26,749 4.861,750 2.173,751 1.867,752 1.298,753 0.943,754 5.537,755 8.132,756 3.45,757 4.003,758 4.467,759 4.976,760 5.266,761 5.371,762 5.511,763 5.522,764 5.558,765 5.784,766 1,767 31,768 8.116,770 3.418,771 8.051,772 15.027,774 11.989,776 2.551,777 56.111,781 153.024,782 113.835,783 67.693,784 39.149,785 50.29,787 31.278,788 82.557,789 242.463,790 67.693,791 17.65,792 50.908,793 37.905,794 88.256,795 16.234,796 1.358,797 172.531,798 39.149,799 153.024,800 150.251,801 50.29,802 70.426,804 153.024,805 50.29,807 78.107,808 55.359,809 55.934,810 31.278,811 153.024,812 117.983,813 152.984,815 153.024,816 49.232,817 64.603,818 18.011,819 139.121,820 153.024,821 117.983,822 152.984,823 0.588,824 0.332,825 0.171,826 0.083,827 14,828 8,829 0.128,830 5,832 1,833 3.3,834 162.549,836 11,837 92.107,838 1,840 16.908,841 7.205,842 4.281,844 117.983,845 8.546,846 3.992,849 1.057,850 2.169,851 50.908,852 423.991,853 30.5,856 23.588,859 -0.737,860 38.545,861 42.684,862 0.351,863 0.737,864 0.842,865 0.862,866 0.862,867 0.862,868 4.68,869 1,870 5.541,871 2.629,872 4.174,873 4.687,874 2.292,875 6.337,876 4.065,877 5.889,878 0.66,879 7.104,880 2.275,881 3.892,882 4.511,883 1.593,884 7.261,885 3.737,886 7.188,887 0.319,888 8.765,889 1.608,890 5.759,891 6.786,892 3.18,893 10.31,894 5.572,895 8.517,896 -0.321,897 10.482,898 0.809,899 6.236,900 7.358,901 3.168,902 12.059,903 6.025,904 9.873,905 -0.51,906 12.235,907 -0.8,908 7.629,909 9.146,910 4.335,911 14.646,912 7.399,913 11.247,914 -1,915 14.015,916 -1.226,917 8.441,918 10.064,919 4.654,920 16.746,921 8.204,922 12.635,923 -1,924 15.815,925 -2,926 9.655,927 11.639,928 5.607,929 19.177,930 9.408,931 3.093,932 -1,933 17.631,934 -2,935 10.623,936 12.737,937 6.091,938 21.428,939 10.379,940 2.841,941 10.664,942 19.46,943 -3,944 11.767,945 14.204,946 6.929,947 23.807,948 11.52,949 2.437,950 8.575,951 21.299,952 3.858,953 12.808,954 15.402,955 7.5,956 26.121,957 12.569,958 2.239,959 6.773,960 23.148,961 3.724,962 13.927,963 16.813,964 8.274,965 28.485,966 13.689,967 1.82,968 6.256,969 25.004,970 3.161,971 15.004,972 18.067,973 8.894,974 30.825,975 14.775,976 1.717,977 5.134,978 26.866,979 2.815,980 16.114,981 19.446,982 9.631,983 33.186,984 15.891,985 1.088,986 4.312,987 28.733,988 2.426,989 17.209,990 20.735,991 10.279,992 35.54,993 16.994,994 4582,995 8949,996 14.334,997 26.762,998 35.114,999 36.115,1000 36.394,1001 34.527,1002 34.43,1003 44.606,1004 6.581,1005 98.068,1006 32.365,1007 5.195,1008 5.819,1009 6.1,1010 5.207,1011 5.093,1012 6.858,1013 3.497,1014 17.405,1015 5.087,1016 14.167,1017 1.527,1018 1.57,1019 1.582,1020 1.501,1021 1.497,1022 1.939,1023 0.286,1024 4.264,1025 1.407,1026 3.978,1027 4.003,1028 4.24,1029 3.918,1030 7.438,1031 3.906,1032 3.847,1033 3.864,1034 4.006,1035 3.824,1036 7.428,1037 3.76,1038 3.643,1039 3.69,1040 3.652,1041 3.535,1042 4.943,1043 3.521,1044 3.359,1045 3.416,1046 3.277,1047 3.092,1048 4.915,1049 3.121,1050 3.167,1051 3.223,1052 3.222,1053 2.902,1054 4.768,1055 2.927,1056 2.874,1057 3.009,1058 3.095,1059 2.735,1060 4.354,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.683,1066 4.124,1067 2.695,1068 2.844,1069 2.887,1070 2.596,1071 2.618,1072 3.742,1073 2.57,1074 0.187,1075 0.166,1076 0.291,1077 0.178,1078 0.134,1079 4.307,1080 0.168,1081 3.819,1082 0.086,1083 6.686,1084 0.464,1085 4.09,1086 0.134,1087 3.093,1088 3.858,1089 1.987,1090 10.664,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.61,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.516,1105 1.513,1106 1.568,1107 1.71,1108 0.648,1109 1.681,1110 1.362,1111 1.31,1112 1.454,1113 1.616,1114 0.536,1115 1.597,1116 1.051,1117 1.012,1118 1.417,1119 1.303,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.225,1125 1.239,1126 0.298,1127 1.286,1128 0.886,1129 0.804,1130 1.181,1131 1.081,1132 0.218,1133 1.131,1134 0.855,1135 0.783,1136 1.045,1137 1.062,1139 1.107,1140 3.85,1142 5.165,1143 2.398,1144 6.65,1145 4.595,1146 8.215,1147 6.581,1148 9.822,1150 3.936,1151 5.885,1153 5.177,1156 2.739,1159 -0.241,1164 25.196,1165 70.063,1166 147.057,1167 167.911,1168 171.911,1169 171.911,1170 171.911,1171 54.188,1172 6.265,1173 85.08,1174 113.32,1175 11,1176 12.106,1177 3.807,1178 3.087,1179 42.151,1180 71,1181 70,1182 0.291,1183 167.216,1184 287.36,1185 399.767,1186 3420,1187 2.6,1188 16.276,1189 0.74,1190 0.625,1191 17.129,1192 13.741,1193 10.38,1194 0.451,1195 0.343,1196 6.733,1197 9.331,1198 6.392,1199 5.362,1200 11.077,1201 7.896,1202 9.737,1203 0.304,1204 0.207,1205 10.814,1206 6.623,1207 7.261,1208 0.186,1209 0.111,1210 8.391,1211 4.336,1212 5.953,1213 0.124,1214 0.061,1215 6.885,1216 2.935,1217 3.968,1218 0.079,1219 0.033,1220 4.719,1221 1.664,1222 0.45,1223 71.843,1224 0.264,1225 21.629,1226 0.818,1227 110,1228 359.825,1229 161.541,1230 400.014,1231 519.04,1232 368,1233 126,1234 328.442,1235 166.901,1236 359.261,1237 520.83,1238 336,1239 4.149}
{0 CHEMBL608129,1 1.909,2 7.75,3 3.401,4 11.568,5 82.57,6 9.454,7 0.524,8 3.647,9 3.73,10 3.637,11 3.338,12 4.695,13 3.235,14 4.186,15 4.32,16 3.996,17 3.706,18 5.532,19 3.585,20 4.415,21 4.59,22 3.984,23 3.779,24 5.595,25 3.633,26 4.513,27 4.727,28 3.858,29 3.78,30 5.631,31 3.637,32 4.507,33 4.689,34 3.812,35 3.81,36 5.723,37 3.653,38 4.571,39 4.774,40 3.789,41 3.76,42 5.812,43 3.593,44 4.261,45 4.472,46 3.662,47 3.58,48 5.351,49 3.363,50 3.863,51 4.038,52 3.171,53 3.162,54 5.158,55 2.934,56 0.089,57 0.52,58 7.532,59 3.762,60 15.228,61 3.98,62 0.326,63 0.847,64 18.036,65 6.765,66 51.263,67 7.131,68 0.396,69 0.992,70 24.074,71 8.547,72 50.998,73 9.313,74 0.386,75 1.073,76 29.038,77 9.5,78 52.346,79 10.182,80 0.387,81 1.073,82 30.091,83 10.384,84 59.039,85 10.231,86 0.61,87 1.03,88 29.713,89 10.113,90 99.824,91 10.224,92 0.379,93 0.817,94 32.917,95 8.684,96 47.867,97 8.492,98 0.341,99 0.465,100 20.375,101 5.277,102 41.904,103 5.897,104 27,105 30,106 0.351,107 0.672,108 0.777,109 0.798,110 0.798,111 0.798,112 3.058,113 1.259,114 -2.98,115 -2.98,116 -2.87,118 37.1,119 2,121 1,125 1,131 4,132 1,133 1,134 1,139 1,146 1,154 6,156 1,157 1,159 2,161 2,162 8,165 2,166 2,168 1,170 5,171 8,175 4,179 2,181 7,185 10,190 6,194 8,197 1,198 5,201 2,207 4,211 2,219 1,221 1,224 508,225 12.8,226 12.8,227 12.8,228 12.8,229 12.8,230 11.165,231 10.658,232 7.453,233 13.384,234 10.334,235 10.334,236 10.334,237 10.334,238 10.334,239 7.896,240 12.529,241 3.506,242 11.377,243 3.22,244 1.472,245 0.9,246 0.786,247 0.786,248 0.786,249 3.704,250 1,252 1,253 1,254 318,255 3.808,258 63.777,259 73.274,261 1.175,262 26.667,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 43.333,274 155,275 4.857,276 4.687,277 7.316,278 4.307,279 3.407,280 4.703,281 0.522,282 12.556,283 3.086,284 4.15,285 3.21,286 6.386,287 3.871,288 2.901,289 3.681,291 9.642,292 2.783,293 3.676,294 2.868,295 5.151,296 3.288,297 2.373,298 3.076,300 6.267,301 2.153,302 3.539,303 2.045,304 4.916,305 2.894,306 2.017,307 2.9,309 5.409,310 1.745,311 3.04,312 1.941,313 4.731,314 2.761,315 1.809,316 2.128,318 4.869,319 1.647,320 2.5,321 1.268,322 3.691,323 2,324 1,325 1.5,326 2.314,327 1,328 2.38,329 1,330 3.414,331 1.869,332 0.958,333 1.307,334 2.275,335 0.854,336 2.118,337 0.915,338 3.303,339 1.656,340 0.723,341 0.927,342 1.796,343 0.66,344 1.933,345 0.618,346 3,347 1.415,348 0.618,349 0.854,350 1.372,351 0.485,352 1.101,353 0.372,354 2.806,355 0.678,356 -0.186,357 -0.225,358 -0.428,359 -0.131,360 1,361 -0.137,362 2.368,363 0.145,364 -0.791,365 -0.897,366 -2,367 -0.68,368 0.5,369 -0.511,370 2,372 -1,373 -1,374 -2.458,375 -1,376 0.429,377 -1,378 2,380 -1,381 -1.5,383 -2.977,384 -1,385 0.115,386 -1,387 2,389 -1,390 -1.566,392 -3,393 -1,395 -1,396 1.562,397 -0.412,398 -1.259,399 -1.656,401 -3,402 -1.041,403 10.348,404 0.517,405 0.687,406 0.034,407 25,408 1.25,409 13,410 0.65,411 12,412 0.6,413 17.364,414 0.868,415 22.052,416 0.63,417 16.303,418 0.815,419 4.35,420 0.218,421 5.048,422 0.252,423 0.23,424 0.081,425 0.242,429 0.475,430 1.25,431 0.709,432 1.067,433 0.673,434 0.894,435 0.523,436 1.139,437 0.694,438 0.898,439 0.521,440 0.888,441 0.78,442 1.12,443 0.907,444 1.055,445 0.84,446 1.048,447 1.073,448 0.937,449 0.888,450 0.888,451 0.978,452 0.877,453 1.205,454 1.091,455 1.07,456 1.169,457 1.268,458 1.065,459 1.574,460 0.864,461 0.904,462 0.811,463 1.861,464 0.954,465 1.172,466 0.927,467 1.341,468 1.133,469 0.986,470 1.023,471 0.92,472 1.118,473 1.775,474 1.451,475 0.605,476 1.609,477 5.5,478 0.02,479 3.111,480 1.528,481 1.557,482 0.795,483 0.439,484 0.247,485 0.079,486 0.047,487 3258,488 12162,489 1.927,490 42.9,491 6,492 5,493 1,494 1,495 1,497 1,499 1.623,500 1.752,501 2.949,502 -0.173,504 1,506 1,507 66.816,508 1.909,509 3.658,510 4.229,511 4.343,512 4.343,513 4.343,514 2.448,515 3.622,516 4.295,517 3.072,518 583.603,519 7.365,520 5921.84,521 1,522 1,523 1,524 1,525 179.525,526 1.734,527 4.207,528 0.262,529 0.01,530 0.104,531 0.055,532 0.056,533 0.029,534 0.019,535 0.014,536 0.009,537 0.012,538 0.568,539 0.33,540 1,541 0.932,542 87.364,543 0.103,544 -0.101,545 0.132,546 -0.048,547 -0.159,548 0.03,549 0.306,550 -0.061,551 0.139,552 0.051,553 0.296,554 0.028,555 0.128,556 -0.116,557 0.011,558 -0.108,559 0.04,560 -0.099,561 -0.12,562 0.052,563 -0.017,564 0.035,565 -0.027,566 0.078,567 -0.181,568 -0.089,569 -0.171,570 -0.133,571 -0.061,572 -0.098,573 -0.269,574 0.025,575 -0.056,576 0.097,577 -0.287,578 -0.01,579 -0.216,580 0.091,581 -0.146,582 -0.018,583 -0.139,584 -0.006,585 0.094,586 -0.278,587 -0.43,588 -0.52,589 0.082,590 -0.604,591 4.512,592 5.259,593 0.55,594 12.6,595 1.015,596 1.117,597 1.746,598 3.049,599 0.726,600 3.091,601 3.434,602 3.611,603 3.784,604 3.892,605 3.807,606 3.714,607 3.664,608 3.434,609 3.045,610 4.772,611 0.667,612 330.89,613 3.091,614 4.635,615 5.46,616 6.34,617 7.192,618 8.072,619 8.934,620 9.814,621 10.68,622 11.559,623 5.7,624 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 35,650 13,651 1,652 21,654 36,655 13,656 9,657 2,658 4,660 2,661 2,662 1,663 2,669 1,671 9,672 4,673 1,674 2,676 1,677 2,681 1,682 1,684 15,685 4,686 1,687 7,688 3,691 2,692 1,693 2,703 1,704 1,717 2,719 2,721 2,722 1,724 20,727 1,730 1,733 2,737 1,740 1,741 5.7,744 2,747 11.417,748 6.676,749 4.347,750 2,751 1.703,752 1.284,753 0.951,754 4.917,755 7.701,756 3.384,757 4.003,758 4.426,759 4.886,760 5.193,761 5.243,762 5.167,763 5.418,764 5.476,765 5.364,766 1,767 28,768 7.612,770 3.427,771 8.001,772 13.955,774 11.475,776 2.501,777 50.028,781 164.795,782 116.023,783 33.191,784 39.149,785 44.313,787 37.085,788 78.938,789 248.257,790 33.191,791 17.65,793 67.766,794 72.87,795 15.734,796 11.771,797 172.531,798 39.149,799 164.795,800 112.129,801 44.313,802 76.234,804 153.024,805 56.084,807 43.103,808 52.24,809 61.742,810 31.278,811 164.795,812 77.503,813 155.172,814 5.807,815 164.795,816 37.964,817 72.252,818 16.405,819 100.247,820 164.795,821 77.503,822 155.172,823 0.593,824 0.332,825 0.165,826 0.089,827 14,828 7,829 0.139,830 5,832 1,833 3.086,834 145.129,836 11,837 78.439,838 1,839 1,840 15.581,841 6.311,842 3.866,844 77.503,845 10.287,846 3.855,849 1.099,850 1.584,851 16.405,852 397.471,853 28.5,855 -3.595,856 24.518,860 35.52,861 39.106,862 0.372,863 0.713,864 0.824,865 0.847,866 0.847,867 0.847,868 4.623,869 0.723,870 5.509,871 2.275,872 4.111,873 4.687,874 0.434,875 6.372,876 3.942,877 5.875,878 0.618,879 7.12,880 1.796,881 4.007,882 4.832,884 7.689,885 3.739,886 7.235,887 -0.186,888 8.853,889 1.372,890 5.82,891 7.006,892 0.138,893 10.692,894 5.497,895 8.642,896 -0.791,897 10.66,898 -0.428,899 6.509,900 7.977,902 12.808,903 6.072,904 10.087,905 -1,906 12.514,907 -2,908 7.89,909 9.706,910 0.039,911 15.451,912 7.403,913 11.559,914 -1,915 14.402,916 -2.458,917 8.889,918 11.009,920 17.831,921 8.285,922 13.052,923 -1,924 16.312,925 -2.977,926 10.141,927 12.604,928 0.011,929 20.381,930 9.471,931 3.407,932 -1.259,933 18.239,934 -3,935 11.264,936 14.045,938 22.851,939 10.481,940 2.901,941 12.556,942 20.179,943 -3,944 12.479,945 15.599,946 0.003,947 25.378,948 11.615,949 2.373,950 9.642,951 22.128,952 4.703,953 13.653,954 17.099,956 27.882,957 12.68,958 2.017,959 6.267,960 24.084,961 3.681,962 14.862,963 18.643,964 0.001,965 30.406,966 13.796,967 1.809,968 5.409,969 26.046,970 3.076,971 16.058,972 20.168,974 32.923,975 14.886,976 1,977 4.869,978 28.012,979 2.9,980 17.268,981 21.711,983 35.448,984 15.997,985 0.958,986 2.314,987 29.982,988 2.128,989 18.476,990 23.248,992 37.971,993 17.099,994 3361,995 6648,996 13.118,997 25.404,998 31.956,999 32.523,1000 32.389,1001 31.665,1002 31.612,1003 42.153,1004 1.043,1005 93.001,1006 28.827,1007 5.749,1008 6.687,1009 6.902,1010 5.464,1011 5.407,1012 7.703,1013 1.043,1014 19.975,1015 5.086,1016 11.627,1017 1.522,1018 1.549,1019 1.542,1020 1.508,1021 1.505,1022 2.007,1023 0.05,1024 4.429,1025 1.373,1026 4.065,1027 4.051,1028 4.782,1029 4.067,1030 7.717,1031 3.952,1032 3.896,1033 3.898,1034 4.015,1035 3.867,1036 6.999,1037 3.826,1038 3.625,1039 3.681,1040 3.982,1041 3.534,1042 4.941,1043 3.497,1044 3.482,1045 3.484,1046 3.554,1047 3.409,1048 4.803,1049 3.315,1050 2.984,1051 3.022,1052 3.222,1053 2.882,1054 4.393,1055 2.855,1056 2.874,1057 3.009,1058 2.687,1059 2.735,1060 4.134,1061 2.715,1062 2.854,1063 2.925,1064 2.6,1065 2.618,1066 3.708,1067 2.57,1068 2.508,1069 2.581,1070 2.585,1071 2.298,1072 3.674,1073 2.271,1074 0.231,1075 0.223,1076 0.348,1077 0.205,1078 0.162,1079 4.857,1080 0.224,1081 4.687,1082 0.025,1083 7.316,1084 0.598,1085 4.307,1086 0.147,1087 3.407,1088 4.703,1089 0.522,1090 12.556,1091 3.086,1092 1.942,1093 1.923,1094 2.049,1095 2.033,1096 1.315,1097 2.057,1098 1.704,1099 1.741,1100 1.867,1101 1.816,1102 0.999,1103 1.856,1104 1.58,1105 1.548,1106 1.492,1107 1.717,1108 0.835,1109 1.776,1110 1.356,1111 1.324,1112 1.417,1113 1.482,1114 0.542,1115 1.514,1116 1.004,1117 0.954,1118 1.34,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.168,1126 0.401,1127 1.209,1128 0.886,1129 0.804,1130 1.036,1131 1.062,1132 0.218,1133 1.107,1134 0.725,1135 0.733,1136 0.791,1137 0.87,1139 0.917,1140 3.761,1142 5.094,1143 2.398,1144 6.605,1145 4.443,1146 8.198,1147 6.326,1148 9.835,1150 3.924,1151 5.863,1156 2.708,1159 -0.216,1164 23.362,1165 66.816,1166 128.015,1167 148.015,1168 152.015,1169 152.015,1170 152.015,1171 47.287,1172 5.999,1173 59.06,1174 95.68,1175 11,1176 12.098,1177 3.807,1178 3.087,1179 36.175,1180 55,1181 60,1182 0.322,1183 158.223,1184 265.55,1185 377.824,1186 2291,1187 2.9,1188 14.751,1189 0.738,1190 0.673,1191 15.854,1192 13.466,1193 9.399,1194 0.448,1195 0.42,1196 6.249,1197 7.73,1198 5.777,1199 4.86,1200 10.963,1201 8.813,1202 9.102,1203 0.303,1204 0.264,1205 11.429,1206 7.911,1207 6.744,1208 0.187,1209 0.159,1210 9.065,1211 5.711,1212 5.142,1213 0.12,1214 0.097,1215 7.183,1216 4.166,1217 3.858,1218 0.08,1219 0.059,1220 5.585,1221 2.852,1222 0.485,1223 74.155,1224 0.276,1225 19.617,1226 0.944,1227 102,1228 329.373,1229 191.123,1230 390.574,1231 508.71,1232 356,1233 117,1234 299.549,1235 202,1236 365.184,1237 529.4,1238 339,1239 4}
{0 CHEMBL608130,1 1.419,2 9.19,3 4.491,4 20.172,5 87.226,6 7.362,7 0.545,8 3.759,9 3.88,10 3.307,11 3.381,12 4.818,13 3.315,14 4.279,15 4.455,16 3.644,17 3.759,18 5.282,19 3.658,20 4.571,21 4.781,22 3.702,23 3.898,24 5.541,25 3.766,26 4.669,27 4.918,28 3.628,29 3.834,30 5.681,31 3.701,32 4.612,33 4.846,34 3.531,35 3.77,36 5.701,37 3.649,38 4.59,39 4.851,40 3.462,41 3.756,42 5.525,43 3.583,44 4.467,45 4.74,46 3.556,47 3.665,48 5.446,49 3.493,50 4.217,51 4.425,52 3.173,53 3.572,54 5.169,55 3.379,56 0.029,57 0.52,58 8.49,59 3.952,60 6.395,61 5.384,62 0.121,63 0.84,64 15.863,65 6.736,66 19.033,67 9.273,68 0.15,69 1.066,70 24.046,71 9.117,72 30.839,73 12.336,74 0.218,75 1.16,76 27.16,77 9.506,78 43.201,79 12.968,80 0.294,81 1.114,82 23.971,83 8.228,84 56.849,85 11.057,86 0.207,87 1.035,88 25.377,89 9.254,90 41.104,91 12.566,92 0.288,93 0.876,94 25.24,95 8.561,96 45.266,97 11.668,98 0.149,99 0.687,100 21.797,101 7.114,102 26.459,103 9.396,104 18,105 29,106 0.253,107 0.545,108 0.681,109 0.771,110 0.8,111 0.8,112 3.102,113 1.026,114 -5.56,115 -5.43,116 -5.07,118 43.9,119 2,121 2,124 1,131 9,132 2,133 1,142 1,154 14,157 1,159 1,161 2,162 18,166 2,170 4,171 13,175 5,179 6,181 8,185 4,188 3,190 9,194 2,198 11,201 2,205 1,207 17,215 14,221 9,224 614,225 13.897,226 13.897,227 13.897,228 13.897,229 13.897,230 12.264,231 13.1,232 8.392,233 14.064,234 10.834,235 10.834,236 10.834,237 10.834,238 10.834,239 8.461,240 15.864,241 3.969,242 11.137,243 3.939,244 2.299,245 1.532,246 1.031,247 0.866,248 0.866,249 3.76,250 1,253 1,254 398,255 3.536,259 158.212,261 1.361,262 15.907,264 1,265 0.75,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.86,273 43.833,274 193,275 4.277,276 3.812,277 6.681,278 4.083,279 3.081,280 3.731,281 1.988,282 10.638,283 3.085,284 3.904,285 2.968,286 5.357,287 3.52,288 2.529,289 3.447,290 0.586,291 6.998,292 2.508,293 3.789,294 2.77,295 5.22,296 3.349,297 2.414,298 3.141,299 0.198,300 6.436,301 2.243,302 3.287,303 2.672,304 4.85,305 2.895,306 1.914,307 2.5,309 5.328,310 1.864,311 2.973,312 1.935,313 4.626,314 2.76,315 1.799,316 2.097,318 4.529,319 1.644,320 2.888,321 1.646,322 3.638,323 2.473,324 1.472,325 1.948,326 3.117,327 1.471,328 2.5,329 1.07,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.268,339 2,340 1,341 1.5,342 2.136,343 1,344 1.806,345 1,346 3.247,347 1.594,348 0.639,349 0.714,350 1.516,351 0.603,352 1.514,353 0.895,354 2.779,355 1.173,356 0.186,357 0.228,358 0.43,359 0.169,360 0.887,361 0.306,362 2.191,363 0.457,364 -0.414,365 -0.495,366 -0.968,367 -0.297,368 0.784,369 -0.112,370 2,371 0.394,372 -0.619,373 -0.817,374 -1.352,375 -0.619,376 0.5,377 -0.669,378 1.81,380 -1,381 -1,383 -2,384 -1,385 0.5,386 -0.985,387 1.561,389 -1,390 -1.5,392 -2.347,393 -1,394 0.141,395 -1,396 1.555,398 -1,399 -1.5,401 -2.959,402 -1,403 10.448,404 0.498,405 0.511,406 0.024,407 25.5,408 1.214,409 13.5,410 0.643,411 12,412 0.571,413 17.382,414 0.828,415 22.552,416 0.55,417 16.9,418 0.805,419 4.973,420 0.237,421 5.102,422 0.243,423 0.196,425 0.287,429 0.608,430 1.122,431 0.688,432 0.95,433 0.586,434 0.951,435 0.56,436 1.076,437 0.737,438 0.964,439 0.557,440 0.987,441 0.99,442 1.189,443 0.976,444 1.109,445 1.051,446 1.093,447 1.196,448 1.109,449 0.847,450 0.978,451 1.229,452 0.949,453 1.799,454 1.007,455 0.86,456 0.891,457 2.011,458 0.986,459 1.106,460 0.95,461 0.851,462 0.929,463 1.276,464 0.961,465 0.651,466 0.746,467 0.797,468 0.81,469 0.719,470 0.784,471 1.184,472 1.042,473 1.878,474 1.398,475 0.915,476 1.339,477 4,478 0.049,479 2.222,480 1.563,481 1.013,482 0.549,483 0.589,484 0.231,485 0.078,486 0.094,487 4130,488 11147,489 1.968,490 48.8,491 7,492 11,495 1,496 1,499 1.633,500 1.826,501 3.159,502 -0.385,504 1,507 58.162,508 1.419,509 3.058,510 3.826,511 4.327,512 4.491,513 4.491,514 2.684,515 3.785,516 4.363,517 3.309,518 694.904,519 7.483,520 7482.56,522 1,524 1,525 219.66,526 1.461,527 4.311,528 0.182,529 0.008,530 0.077,531 0.054,532 0.038,533 0.023,534 0.028,535 0.011,536 0.005,537 0.009,538 0.433,539 0.5,540 0.88,541 0.874,542 95.261,543 -0.022,544 0.013,545 0.008,546 0.023,547 -0.053,548 0.025,549 0.118,550 0.001,551 0.03,552 0.001,553 0.062,554 -0.015,555 -0.049,556 -0.183,557 -0.077,558 -0.14,559 -0.08,560 -0.124,561 -0.036,562 -0.113,563 0.004,564 -0.051,565 0.031,566 -0.008,567 -0.262,568 0.046,569 -0.123,570 -0.013,571 -0.205,572 -0.095,573 -0.061,574 0.002,575 0.014,576 0.022,577 -0.075,578 0.002,579 0.286,580 0.164,581 0.257,582 0.188,583 0.237,584 0.216,585 -0.234,586 -0.112,587 -0.456,588 -0.321,589 -0.209,590 -0.313,591 1.615,592 5.499,593 0.571,594 16.036,595 0.99,596 1.117,597 4.326,598 18.718,599 0.681,600 3.135,601 3.401,602 3.584,603 3.761,604 3.85,605 3.714,606 3.807,607 3.611,608 3.434,609 3.434,610 5.45,611 0.63,612 301.84,613 3.135,614 4.635,615 5.442,616 6.286,617 7.111,618 7.959,619 8.791,620 9.641,621 10.478,622 11.329,623 2.4,628 1,633 9,638 3,639 12,648 1,649 41,650 13,651 2,652 22,654 42,655 18,656 12,657 3,658 9,660 2,661 2,662 1,663 2,671 13,672 5,673 2,674 1,677 1,680 1,682 1,684 20,685 2,686 1,687 3,688 1,691 1,692 1,693 1,704 2,709 1,717 2,721 2,722 1,724 21,729 1,730 1,733 2,740 1,741 2.4,744 1,747 11.5,748 7.726,749 4.75,750 2.501,751 1.899,752 1.31,753 0.94,754 5.545,755 8.021,756 3.401,757 3.912,758 4.357,759 4.824,760 5.26,761 5.075,762 5.281,763 5.276,764 5.154,765 5.34,766 1,767 29,768 7.767,770 3.175,771 7.712,772 14.929,774 11.916,776 2.212,777 46.444,778 0.001,780 1,781 223.651,782 119.619,783 18.011,784 39.149,785 25.145,788 119.619,789 287.945,790 18.011,791 17.65,792 20.116,793 85.286,794 29.85,795 9.872,797 223.651,798 39.149,799 223.651,800 137.629,801 25.145,802 39.149,804 223.651,805 25.145,807 37.767,808 99.863,809 39.149,811 223.651,812 43.156,813 158.767,815 223.651,816 16.682,817 102.937,818 18.011,819 64.294,820 223.651,821 43.156,822 158.767,823 0.572,824 0.323,825 0.17,826 0.086,827 12,828 6,829 0.119,830 5,832 1,833 3.308,834 148.572,836 12,837 82.239,840 15.747,841 7.394,842 4.417,844 43.156,845 17.439,850 2.787,851 18.011,852 425.574,853 29,856 12.499,859 0.052,860 40.589,861 45.804,862 0.265,863 0.571,864 0.714,865 0.808,866 0.838,867 0.838,868 4.595,869 1,870 5.407,871 2.275,872 4.078,873 4.595,874 2.142,875 6.155,876 4.032,877 5.767,878 0.639,879 6.932,880 2.136,881 3.611,882 4.182,883 1.593,884 7.013,885 3.523,886 7.034,887 0.186,888 8.563,889 1.516,890 5.602,891 6.638,892 3.114,893 10.079,894 5.534,895 8.333,896 -0.414,897 10.259,898 0.43,899 5.943,900 6.953,901 3.168,902 11.839,903 5.86,904 9.661,905 -0.619,906 11.999,907 -0.968,908 7.419,909 8.928,910 4.318,911 14.437,912 7.349,913 11.009,914 -1,915 13.773,916 -1.352,917 8.149,918 9.599,919 4.657,920 16.569,921 8.084,922 12.372,923 -1,924 15.572,925 -2,926 9.408,927 11.335,928 5.607,929 19.013,930 9.351,931 3.081,932 -1,933 17.392,934 -2.347,935 10.335,936 12.213,937 6.097,938 21.291,939 10.289,940 2.529,941 10.638,942 19.228,943 -2.959,944 11.503,945 13.806,946 6.934,947 23.682,948 11.463,949 2.414,950 6.998,951 21.078,952 3.731,953 12.527,954 14.818,955 7.508,956 26.014,957 12.498,958 1.914,959 6.436,960 22.937,961 3.447,962 13.659,963 16.316,964 8.282,965 28.388,966 13.636,967 1.799,968 5.328,969 24.805,970 3.141,971 14.732,972 17.419,973 8.903,974 30.741,975 14.718,976 1.472,977 4.529,978 26.68,979 2.5,980 15.852,981 18.853,982 9.64,983 33.108,984 15.844,985 1,986 3.117,987 28.56,988 2.097,989 16.949,990 20.019,991 10.289,992 35.468,993 16.947,994 4185,995 6964,996 14.216,997 27.932,998 32.511,999 33.356,1000 33.431,1001 32.241,1002 32.068,1003 41.615,1004 5.545,1005 86.805,1006 31.173,1007 5.185,1008 5.812,1009 6.483,1010 5.083,1011 5.081,1012 6.731,1013 3.499,1014 17.284,1015 5.085,1016 10.995,1017 1.478,1018 1.516,1019 1.52,1020 1.465,1021 1.458,1022 1.892,1023 0.252,1024 3.946,1025 1.417,1026 3.982,1027 4.011,1028 4.014,1029 3.916,1030 7.428,1031 3.91,1032 3.894,1033 3.924,1034 3.841,1035 3.839,1036 4.939,1037 3.831,1038 3.655,1039 3.702,1040 3.656,1041 3.542,1042 4.755,1043 3.531,1044 3.402,1045 3.474,1046 3.259,1047 3.178,1048 4.358,1049 3.188,1050 3.065,1051 3.115,1052 3.222,1053 2.936,1054 4.13,1055 2.92,1056 2.874,1057 3.009,1058 2.873,1059 2.735,1060 4.029,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.735,1066 3.674,1067 2.715,1068 2.854,1069 2.925,1070 2.687,1071 2.662,1072 3.674,1073 2.666,1074 0.194,1075 0.173,1076 0.304,1077 0.186,1078 0.14,1079 4.277,1080 0.17,1081 3.812,1082 0.09,1083 6.681,1084 0.484,1085 4.083,1086 0.14,1087 3.081,1088 3.731,1089 1.988,1090 10.638,1091 3.085,1092 1.948,1093 1.923,1094 2.067,1095 2.043,1096 1.321,1097 2.053,1098 1.903,1099 1.874,1100 2.031,1101 1.983,1102 1.147,1103 2.002,1104 1.654,1105 1.605,1106 1.868,1107 1.797,1108 0.999,1109 1.827,1110 1.344,1111 1.277,1112 1.576,1113 1.609,1114 0.694,1115 1.604,1116 1.054,1117 1.005,1118 1.417,1119 1.242,1120 0.481,1121 1.308,1122 0.934,1123 0.821,1124 1.286,1125 1.239,1126 0.469,1127 1.263,1128 0.886,1129 0.821,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.886,1135 0.804,1136 1.181,1137 1.062,1138 0.218,1139 1.107,1140 3.807,1142 5.081,1144 6.55,1146 8.103,1148 9.699,1150 4.114,1151 5.916,1155 0.552,1156 3.022,1159 0.063,1164 25.832,1165 58.162,1166 125.382,1167 156.866,1168 177.395,1169 184.15,1170 184.15,1171 41.478,1172 6.122,1173 29.1,1174 29.1,1175 12,1176 11.889,1177 3.807,1178 3,1179 39.216,1180 66,1181 67,1182 0.284,1183 167.277,1184 289.96,1185 399.917,1186 2973,1187 2.4,1188 15.242,1189 0.726,1190 0.624,1191 15.742,1192 13.1,1193 10.075,1194 0.458,1195 0.342,1196 7.144,1197 9.633,1198 6.835,1199 5.765,1200 10.364,1201 7.526,1202 8.9,1203 0.307,1204 0.204,1205 9.308,1206 5.913,1207 6.787,1208 0.194,1209 0.107,1210 7.075,1211 3.74,1212 5.504,1213 0.131,1214 0.06,1215 5.67,1216 2.53,1217 3.999,1218 0.087,1219 0.034,1220 4.213,1221 1.584,1222 0.441,1223 64.659,1224 0.265,1225 20.94,1226 0.791,1227 102,1228 262.272,1229 121.455,1230 291.221,1231 381.41,1232 270,1233 115,1234 247.189,1235 128.584,1236 265.28,1237 380.05,1238 249,1239 4}
{0 CHEMBL608384,1 1.678,2 7.684,3 3.478,4 12.094,5 74.147,6 8.199,7 0.55,8 3.617,9 3.725,10 3.256,11 3.173,12 4.785,13 3.145,14 4.113,15 4.273,16 3.604,17 3.543,18 5.223,19 3.486,20 4.361,21 4.56,22 3.587,23 3.651,24 5.424,25 3.552,26 4.448,27 4.676,28 3.584,29 3.637,30 5.59,31 3.546,32 4.435,33 4.634,34 3.505,35 3.595,36 5.677,37 3.518,38 4.423,39 4.677,40 3.42,41 3.566,42 5.384,43 3.427,44 4.238,45 4.48,46 3.473,47 3.363,48 5.37,49 3.245,50 3.964,51 4.187,52 2.71,53 2.962,54 4.956,55 2.775,56 0.084,57 0.463,58 6.165,59 3.079,60 7.716,61 3.892,62 0.163,63 0.719,64 12.119,65 5.3,66 20.296,67 6.854,68 0.294,69 0.851,70 19.299,71 6.677,72 36.614,73 8.723,74 0.303,75 0.895,76 21.833,77 7.393,78 42.111,79 9.89,80 0.475,81 0.898,82 18.75,83 6.359,84 68.142,85 8.03,86 0.294,87 0.855,88 21.934,89 7.294,90 40.759,91 9.946,92 0.358,93 0.68,94 20.203,95 5.65,96 41.185,97 7.581,98 0.385,99 0.415,100 21.048,101 4.726,102 34.815,103 5.594,104 18,105 27,106 0.312,107 0.656,108 0.765,109 0.807,110 0.807,111 0.807,112 3.01,113 0.963,114 -4.53,115 -4.46,116 -4.2,118 41.2,119 2,121 2,131 5,132 1,133 1,136 1,139 1,142 1,150 1,154 8,157 3,159 2,161 2,162 12,166 2,168 1,170 2,171 10,174 1,175 6,179 4,181 8,184 1,185 5,188 2,190 7,194 6,198 5,201 7,205 1,207 4,211 2,219 1,221 1,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.691,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.231,243 3.409,244 1.562,245 0.974,246 0.75,247 0.75,248 0.75,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 18.367,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 41.333,274 146,275 4.289,276 3.818,277 6.685,278 4.09,279 3.09,280 3.739,281 1.987,282 10.662,283 3.09,284 3.945,285 2.972,286 5.452,287 3.512,288 2.559,289 3.501,290 0.324,291 7.244,292 2.434,293 3.753,294 2.755,295 5.182,296 3.32,297 2.39,298 3.109,300 6.354,301 2.209,302 3.253,303 2.524,304 4.809,305 2.81,306 1.839,307 2.472,309 5.186,310 1.795,311 2.947,312 1.935,313 4.565,314 2.758,315 1.772,316 1.976,318 4.38,319 1.641,320 2.558,321 1.318,322 3.449,323 2.118,324 1.131,325 1.56,326 2.496,327 1.111,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.604,340 0.618,341 0.927,342 1.372,343 0.609,344 1.542,345 0.618,346 3,347 1.279,348 0.314,349 0.364,350 0.787,351 0.284,352 0.971,353 0.402,354 2.441,355 0.582,356 -0.337,357 -0.404,358 -0.819,359 -0.247,360 0.882,361 0.114,362 2,363 0.432,364 -0.525,365 -0.705,366 -1.237,367 -0.494,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.377,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.565,398 -1.398,399 -1.802,401 -3.177,402 -1.386,403 9.181,404 0.483,405 0.511,406 0.027,407 23.75,408 1.25,409 12,410 0.632,411 11.75,412 0.618,413 14.732,414 0.775,415 20.819,416 0.612,417 15.414,418 0.811,419 4.614,420 0.243,421 4.462,422 0.235,423 0.223,425 0.327,429 0.597,430 1.183,431 0.607,432 0.963,433 0.557,434 0.923,435 0.603,436 1.144,437 0.646,438 0.979,439 0.543,440 0.954,441 0.902,442 1.055,443 1.001,444 1.037,445 1.089,446 1.065,447 0.809,448 1.041,449 0.779,450 0.987,451 0.987,452 0.933,453 1.332,454 1.021,455 0.855,456 0.922,457 2.07,458 1.056,459 0.8,460 1.019,461 0.794,462 0.928,463 0.889,464 0.958,465 0.869,466 0.949,467 0.989,468 1.001,469 0.498,470 0.976,471 2.096,472 0.793,473 2.284,474 1.29,475 1.09,476 1.274,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 10062,489 1.965,490 44.1,491 7,492 5,493 1,495 1,496 1,499 1.607,500 1.81,501 2.928,502 -0.249,504 1,506 1,507 57.067,508 1.678,509 3.525,510 4.113,511 4.337,512 4.337,513 4.337,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 172.974,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.5,540 1,541 0.92,542 81.822,543 0.087,544 0.003,545 0.02,546 0.001,547 -0.01,548 0.003,549 0.112,550 -0.056,551 0.08,552 -0.011,553 0.099,554 0.004,555 -0.064,556 -0.035,557 -0.106,558 -0.07,559 -0.112,560 -0.1,561 0.043,562 -0.087,563 0.058,564 -0.032,565 0.136,566 0.052,567 -0.166,568 0.002,569 -0.168,570 -0.039,571 -0.263,572 -0.163,573 -0.027,574 -0.093,575 0.068,576 0.029,577 -0.062,578 0.046,579 0.092,580 0.006,581 0.113,582 -0.038,583 0.162,584 0.001,585 -0.497,586 -0.008,587 -0.598,588 -0.217,589 -0.324,590 -0.284,591 1.772,592 5.312,593 0.579,594 12.648,595 1.011,596 1.125,597 3.3,598 10.891,599 0.68,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.647,612 278.76,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 5.9,628 1,631 1,633 6,634 1,636 1,638 3,639 11,648 1,649 34,650 12,651 1,652 20,654 35,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 15,685 4,686 1,687 5,688 1,690 1,691 2,692 1,693 2,703 1,704 1,709 1,717 2,721 2,722 1,724 19,730 1,733 2,740 1,741 5.9,744 1,746 1,747 10.5,748 6.593,749 4.25,750 2.036,751 1.704,752 1.288,753 0.926,754 4.482,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 6.984,770 2.882,771 7.892,772 13.103,774 10.343,776 2.392,777 45.444,778 0.001,781 164.795,782 90.49,783 37.607,784 39.149,785 34.879,788 90.49,789 238.823,790 37.607,791 17.65,792 18.011,793 59.121,794 49.446,795 16.42,796 14.099,797 153.024,798 39.149,799 164.795,800 128.097,801 34.879,802 39.149,804 164.795,805 34.879,807 35.661,808 72.839,809 58.745,811 164.795,812 72.486,813 129.639,815 164.795,816 13.719,817 76.771,818 18.011,819 93.624,820 164.795,821 72.486,822 129.639,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.114,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,840 13.94,841 6.11,842 3.505,844 72.486,845 10.343,846 3.678,848 4.695,850 2.008,851 18.011,852 366.92,853 26.5,856 12.312,859 -0.105,860 34.367,861 38.266,862 0.33,863 0.693,864 0.809,865 0.853,866 0.853,867 0.853,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.944,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.489,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.452,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.841,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.28,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 8.065,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.301,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.272,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.432,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.488,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.622,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.715,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.841,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.953,994 3028,995 5697,996 12.83,997 23.108,998 29.962,999 30.402,1000 30.632,1001 29.614,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 28.346,1007 5.177,1008 5.818,1009 6.3,1010 5.127,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.09,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.481,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.417,1026 3.977,1027 4.004,1028 4.014,1029 3.908,1030 7.428,1031 3.902,1032 3.832,1033 3.859,1034 3.822,1035 3.623,1036 5.246,1037 3.656,1038 3.636,1039 3.685,1040 3.621,1041 3.512,1042 4.938,1043 3.505,1044 3.278,1045 3.319,1046 3.222,1047 3.043,1048 4.357,1049 3.057,1050 2.874,1051 3.009,1052 3.137,1053 2.735,1054 4.126,1055 2.716,1056 2.855,1057 2.925,1058 2.687,1059 2.711,1060 3.916,1061 2.715,1062 2.854,1063 2.894,1064 2.499,1065 2.618,1066 3.674,1067 2.57,1068 2.465,1069 2.529,1070 2.426,1071 2.211,1072 3.49,1073 2.219,1074 0.214,1075 0.191,1076 0.334,1077 0.205,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.09,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.09,1092 1.942,1093 1.918,1094 2.059,1095 2.029,1096 1.319,1097 2.042,1098 1.659,1099 1.612,1100 1.868,1101 1.805,1102 0.999,1103 1.83,1104 1.481,1105 1.433,1106 1.631,1107 1.679,1108 0.669,1109 1.668,1110 1.199,1111 1.163,1112 1.417,1113 1.543,1114 0.493,1115 1.476,1116 0.987,1117 0.955,1118 1.383,1119 1.285,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.239,1126 0.218,1127 1.249,1128 0.886,1129 0.804,1130 1.13,1131 1.062,1132 0.054,1133 1.107,1134 0.679,1135 0.664,1136 0.82,1137 0.908,1139 0.902,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.003,1151 5.868,1156 2.74,1159 -0.095,1164 21.988,1165 57.067,1166 119.854,1167 139.854,1168 147.464,1169 147.464,1170 147.464,1171 35.486,1172 5.922,1173 55.13,1174 55.13,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 142.626,1184 243.19,1185 339.767,1186 2133,1187 2.9,1188 13.828,1189 0.728,1190 0.606,1191 14.328,1192 11.516,1193 9.075,1194 0.454,1195 0.321,1196 6.001,1197 8.43,1198 5.761,1199 4.852,1200 9.364,1201 6.422,1202 8.205,1203 0.304,1204 0.188,1205 8.613,1206 5.084,1207 6.212,1208 0.188,1209 0.095,1210 6.5,1211 3.119,1212 5.266,1213 0.128,1214 0.052,1215 5.432,1216 2.116,1217 3.233,1218 0.081,1219 0.03,1220 3.447,1221 1.183,1222 0.476,1223 60.067,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 307.652,1229 118.442,1230 324.568,1231 424.33,1232 300,1233 107,1234 287.867,1235 125.627,1236 297.199,1237 423.86,1238 278,1239 4.444}
{0 CHEMBL608696,1 1.694,2 7.75,3 3.938,4 15.506,5 83.618,6 8.348,7 0.524,8 3.677,9 3.79,10 3.392,11 3.326,12 4.761,13 3.244,14 4.195,15 4.361,16 3.764,17 3.691,18 5.237,19 3.58,20 4.442,21 4.65,22 3.639,23 3.757,24 5.437,25 3.614,26 4.525,27 4.773,28 3.671,29 3.731,30 5.548,31 3.601,32 4.473,33 4.688,34 3.715,35 3.735,36 5.608,37 3.628,38 4.516,39 4.72,40 3.678,41 3.786,42 5.614,43 3.627,44 4.447,45 4.698,46 3.693,47 3.729,48 5.415,49 3.503,50 4.181,51 4.429,52 3.273,53 3.467,54 5.075,55 3.209,56 0.009,57 0.511,58 7.14,59 3.576,60 5.211,61 4.529,62 0.14,63 0.834,64 15.844,65 6.208,66 19.419,67 8.043,68 0.15,69 0.959,70 23.142,71 8.255,72 28.915,73 10.364,74 0.275,75 1.01,76 25.944,77 8.724,78 45.576,79 11.225,80 0.16,81 1.004,82 21.337,83 8.034,84 38.036,85 9.966,86 0.338,87 1.045,88 25.234,89 8.406,90 57.442,91 9.73,92 0.283,93 0.969,94 29.546,95 9.437,96 40.474,97 11.507,98 0.195,99 0.754,100 27.596,101 7.868,102 23.918,103 8.829,104 19,105 28,106 0.309,107 0.661,108 0.796,109 0.816,110 0.816,111 0.816,112 3.058,113 1.111,114 -4.78,115 -4.69,116 -4.4,118 40.5,119 2,120 1,121 2,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 9,157 2,159 2,161 2,162 13,166 2,170 2,171 11,174 1,175 5,179 3,181 8,185 6,188 4,190 9,194 3,198 8,201 5,205 1,207 5,215 2,219 1,221 1,224 568,225 13.137,226 13.137,227 13.137,228 13.137,229 13.137,230 11.635,231 12.875,232 7.933,233 13.604,234 10.371,235 10.371,236 10.371,237 10.371,238 10.371,239 8.183,240 16.869,241 3.798,242 11.174,243 3.516,244 1.587,245 0.852,246 0.744,247 0.744,248 0.744,249 3.71,250 1,252 1,253 1,254 318,255 3.536,258 64.659,259 73.274,261 1.175,262 17.878,263 1,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.333,274 155,275 4.244,276 3.794,277 6.468,278 4.012,279 3.015,280 3.723,281 1.987,282 10.03,283 3.008,284 3.945,285 2.964,286 5.45,287 3.443,288 2.558,289 3.501,290 0.324,291 7.236,292 2.291,293 3.727,294 2.717,295 5.138,296 3.282,297 2.372,298 3.071,300 6.29,301 2.16,302 3.253,303 2.519,304 4.802,305 3.049,306 2.069,307 2.471,309 5.217,310 1.963,311 3.134,312 2.125,313 4.631,314 2.787,315 1.836,316 2.148,318 4.964,319 1.664,320 2.582,321 1.319,322 3.675,323 2.106,324 1.184,325 1.605,326 2.701,327 1.075,328 2.5,329 1.287,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 1,338 3.259,339 1.723,340 0.735,341 0.927,342 1.842,343 0.705,344 2.013,345 0.618,346 3,347 1.416,348 0.618,349 0.876,350 1.372,351 0.486,352 1.063,353 0.411,354 2.445,355 0.682,356 -0.193,357 -0.227,358 -0.431,359 -0.136,360 0.971,361 0.252,362 2.394,363 0.545,364 -0.417,365 -0.515,366 -1.068,367 -0.392,368 0.5,369 -0.411,370 2,371 0.165,372 -0.81,373 -0.951,374 -2,375 -0.718,376 0.354,377 -0.712,378 1.725,380 -1,381 -1,383 -2.126,384 -1,385 0.006,386 -1,387 1.542,389 -1,390 -1.5,392 -3,393 -1,395 -1,396 1.132,397 -0.423,398 -1.31,399 -1.607,401 -3.067,402 -1.112,403 10.181,404 0.509,405 0.527,406 0.026,407 24,408 1.2,409 12,410 0.6,411 12,412 0.6,413 17.635,414 0.882,415 21.619,416 0.584,417 14.529,418 0.726,419 4.274,420 0.214,421 5.284,422 0.264,423 0.201,425 0.295,429 0.638,430 1.163,431 0.652,432 0.867,433 0.574,434 0.903,435 0.481,436 1.125,437 0.732,438 0.997,439 0.52,440 0.958,441 1.032,442 1.131,443 0.955,444 1.046,445 1.073,446 1.091,447 0.933,448 0.845,449 0.658,450 0.766,451 1.102,452 0.813,453 1.176,454 1.059,455 0.632,456 0.851,457 1.385,458 0.887,459 1.808,460 0.95,461 1.079,462 0.918,463 2.117,464 1.055,465 0.525,466 0.992,467 1.065,468 1.099,469 0.382,470 1.017,471 0.985,472 1.013,473 1.711,474 1.43,475 0.525,476 1.135,477 4.5,478 0.02,479 2,480 1.222,481 1.137,482 0.653,483 0.467,484 0.249,485 0.141,486 0.047,487 3402,488 10777,489 1.966,490 45.9,491 9,492 4,493 1,494 1,495 1,496 1,499 1.624,500 1.818,501 2.955,502 -0.271,504 1,507 62.66,508 1.694,509 3.622,510 4.358,511 4.466,512 4.466,513 4.466,514 2.448,515 3.622,516 4.292,517 3.105,518 589.928,519 7.365,520 6142.8,522 1,523 1,524 1,525 192.75,526 1.485,527 4.237,528 0.214,529 0.01,530 0.071,531 0.049,532 0.044,533 0.023,534 0.02,535 0.012,536 0.011,537 0.012,538 0.467,539 0.33,540 1,541 1.113,542 88.053,543 -0.031,544 -0.042,545 0.033,546 0.04,547 -0.041,548 0.022,549 0.219,550 -0.06,551 0.078,552 -0.04,553 0.111,554 -0.004,555 -0.093,556 -0.171,557 -0.107,558 -0.144,559 -0.078,560 -0.137,561 0.086,562 0.075,563 0.115,564 0.092,565 0.068,566 0.141,567 -0.056,568 -0.084,569 0.058,570 0.013,571 0.04,572 0.035,573 -0.399,574 0.072,575 -0.196,576 0.018,577 -0.409,578 -0.149,579 0.204,580 -0.025,581 0.059,582 -0.013,583 0.16,584 0.011,585 -0.169,586 0.035,587 -0.277,588 -0.157,589 -0.04,590 -0.084,591 1.684,592 5.454,593 0.55,594 14.4,595 1,596 1.119,597 3.545,598 12.569,599 0.704,600 3.091,601 3.367,602 3.526,603 3.738,604 3.829,605 3.761,606 3.807,607 3.714,608 3.497,609 3.219,610 4.941,611 0.648,612 308.86,613 3.091,614 4.595,615 5.398,616 6.248,617 7.076,618 7.928,619 8.767,620 9.62,621 10.464,622 11.317,623 5.4,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 37,650 12,651 1,652 21,654 38,655 15,656 9,657 2,658 4,660 2,661 2,662 1,663 2,669 1,671 10,672 5,673 2,674 1,677 1,680 1,682 1,684 17,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,724 20,729 1,730 1,733 2,737 1,740 1,741 2.7,744 1,747 11,748 7.093,749 4.472,750 2.25,751 1.665,752 1.278,753 0.939,754 5.41,755 7.664,756 3.35,757 3.866,758 4.299,759 4.791,760 5.059,761 5.069,762 5.301,763 5.343,764 5.356,765 5.455,766 1,767 25,768 7.391,770 3.037,771 7.764,772 14.123,774 11.276,776 2.264,777 45.278,778 0.001,781 188.338,782 117.956,783 34.796,784 39.149,785 25.145,787 31.278,788 86.678,789 252.631,790 34.796,791 17.65,792 20.545,793 45.554,794 58.406,795 16.234,796 11.771,797 196.073,798 39.149,799 188.338,800 121.474,801 25.145,802 70.426,804 188.338,805 25.145,807 47.744,808 56.945,809 55.934,810 31.278,811 188.338,812 59.941,813 157.104,815 188.338,816 45.704,817 72.252,818 18.011,819 81.079,820 188.338,821 59.941,822 157.104,823 0.572,824 0.309,825 0.167,826 0.092,827 12,828 6,829 0.132,830 5,832 1,833 3.188,834 140.606,836 11,837 80.439,838 1,840 15.301,841 7.072,842 4.467,844 59.941,845 10.991,846 4.091,849 1.421,850 2.298,851 18.011,852 405.383,853 27.5,856 12.454,859 -0.018,860 37,861 41.392,862 0.325,863 0.695,864 0.837,865 0.857,866 0.857,867 0.857,868 4.551,869 0.735,870 5.371,871 2.275,872 4.043,873 4.549,874 2.076,875 6.111,876 3.922,877 5.727,878 0.618,879 6.889,880 1.842,881 3.611,882 4.182,883 1.593,884 6.899,885 3.443,886 6.996,887 -0.193,888 8.505,889 1.372,890 5.565,891 6.592,892 3.1,893 9.955,894 5.371,895 8.296,896 -0.417,897 10.18,898 -0.431,899 5.916,900 7.005,901 3.168,902 11.596,903 5.702,904 9.625,905 -0.81,906 11.894,907 -1.068,908 7.354,909 8.88,910 4.312,911 14.177,912 7.134,913 10.972,914 -1,915 13.638,916 -2,917 8.073,918 9.666,919 4.654,920 16.191,921 7.858,922 12.334,923 -1,924 15.404,925 -2.126,926 9.301,927 11.292,928 5.601,929 18.602,930 9.088,931 3.015,932 -1.31,933 17.188,934 -3,935 10.204,936 12.279,937 6.091,938 20.782,939 10.009,940 2.558,941 10.03,942 18.986,943 -3.067,944 11.345,945 13.773,946 6.927,947 23.129,948 11.157,949 2.372,950 7.236,951 20.797,952 3.723,953 12.342,954 14.876,955 7.5,956 25.38,957 12.173,958 2.069,959 6.29,960 22.617,961 3.501,962 13.448,963 16.295,964 8.273,965 27.701,966 13.289,967 1.836,968 5.217,969 24.446,970 3.071,971 14.493,972 17.468,973 8.894,974 29.983,975 14.351,976 1.184,977 4.964,978 26.282,979 2.471,980 15.588,981 18.843,982 9.631,983 32.295,984 15.456,985 1,986 2.701,987 28.123,988 2.148,989 16.658,990 20.061,991 10.279,992 34.59,993 16.538,994 3486,995 6331,996 13.523,997 26.063,998 31.462,999 31.68,1000 31.673,1001 30.839,1002 30.772,1003 39.643,1004 4.622,1005 83.854,1006 28.701,1007 5.145,1008 5.794,1009 6.083,1010 5.108,1011 5.015,1012 6.723,1013 3.497,1014 16.76,1015 5.008,1016 10.702,1017 1.498,1018 1.509,1019 1.508,1020 1.469,1021 1.465,1022 1.888,1023 0.22,1024 3.993,1025 1.367,1026 3.973,1027 4,1028 4.205,1029 3.912,1030 7.428,1031 3.902,1032 3.798,1033 3.824,1034 4.005,1035 3.78,1036 4.94,1037 3.701,1038 3.682,1039 3.738,1040 3.655,1041 3.581,1042 4.861,1043 3.56,1044 3.394,1045 3.432,1046 3.36,1047 3.222,1048 4.348,1049 3.226,1050 2.938,1051 3.009,1052 3.173,1053 2.739,1054 4.19,1055 2.751,1056 2.874,1057 3.009,1058 2.687,1059 2.735,1060 3.8,1061 2.715,1062 2.854,1063 2.925,1064 2.636,1065 2.618,1066 3.674,1067 2.57,1068 2.692,1069 2.757,1070 2.595,1071 2.531,1072 3.467,1073 2.501,1074 0.202,1075 0.181,1076 0.308,1077 0.191,1078 0.144,1079 4.244,1080 0.177,1081 3.794,1082 0.095,1083 6.468,1084 0.478,1085 4.012,1086 0.143,1087 3.015,1088 3.723,1089 1.987,1090 10.03,1091 3.008,1092 1.941,1093 1.917,1094 2.065,1095 2.029,1096 1.356,1097 2.044,1098 1.707,1099 1.655,1100 1.923,1101 1.847,1102 1.077,1103 1.88,1104 1.433,1105 1.403,1106 1.577,1107 1.672,1108 0.744,1109 1.647,1110 1.356,1111 1.32,1112 1.486,1113 1.492,1114 0.576,1115 1.515,1116 1.163,1117 1.124,1118 1.417,1119 1.294,1120 0.469,1121 1.349,1122 0.934,1123 0.821,1124 1.246,1125 1.239,1126 0.358,1127 1.308,1128 0.886,1129 0.804,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.693,1135 0.669,1136 0.962,1137 0.951,1138 0.165,1139 0.978,1140 3.761,1142 5.043,1143 2.398,1144 6.494,1145 4.443,1146 8.026,1147 6.26,1148 9.606,1150 4.221,1151 5.908,1155 0.791,1156 2.876,1159 0.244,1164 23.987,1165 62.66,1166 134.021,1167 161.24,1168 165.24,1169 165.24,1170 165.24,1171 38.604,1172 5.999,1173 41.99,1174 70.23,1175 11,1176 11.874,1177 3.7,1178 2.907,1179 36.119,1180 55,1181 60,1182 0.308,1183 159.353,1184 270.21,1185 380.581,1186 2345,1187 2.7,1188 14.535,1189 0.727,1190 0.652,1191 15.389,1192 13.04,1193 9.559,1194 0.455,1195 0.37,1196 6.578,1197 8.58,1198 6.218,1199 5.241,1200 10.301,1201 7.776,1202 8.677,1203 0.31,1204 0.228,1205 9.695,1206 6.391,1207 6.32,1208 0.192,1209 0.118,1210 7.226,1211 3.899,1212 5.094,1213 0.124,1214 0.066,1215 5.884,1216 2.697,1217 3.782,1218 0.084,1219 0.038,1220 4.295,1221 1.705,1222 0.467,1223 66.508,1224 0.272,1225 19.805,1226 0.895,1227 98,1228 282.777,1229 142.959,1230 327.9,1231 428.69,1232 304,1233 110,1234 267.617,1235 142.396,1236 297.044,1237 427.53,1238 278,1239 6.222}
{0 CHEMBL608697,1 1.94,2 9.261,3 3.56,4 12.674,5 78.555,6 9.839,7 0.44,8 3.699,9 3.79,10 3.517,11 3.294,12 4.955,13 3.289,14 4.238,15 4.367,16 4.003,17 3.617,18 6.033,19 3.607,20 4.384,21 4.564,22 3.818,23 3.65,24 5.761,25 3.632,26 4.472,27 4.655,28 3.89,29 3.649,30 5.943,31 3.65,32 4.481,33 4.68,34 3.697,35 3.631,36 5.822,37 3.584,38 4.33,39 4.544,40 3.698,41 3.591,42 5.585,43 3.48,44 4.245,45 4.446,46 3.648,47 3.466,48 5.529,49 3.408,50 4.159,51 4.316,52 3.7,53 3.129,54 6.131,55 3.202,56 0.239,57 0.837,58 3.739,59 3.616,60 46.704,61 3.277,62 0.884,63 1.622,64 11.093,65 6.118,66 158.954,67 5.781,68 0.718,69 1.321,70 16.361,71 7.233,72 110.909,73 7.612,74 0.934,75 1.354,76 16.667,77 7.441,78 137.925,79 7.383,80 1.028,81 1.199,82 19.249,83 7.526,84 166.623,85 7.092,86 0.743,87 1.055,88 18.242,89 7.378,90 135.655,91 8.293,92 0.704,93 1.223,94 21.891,95 7.275,96 126.193,97 6.653,98 1.035,99 1.308,100 12.715,101 5.492,102 183.287,103 4.316,104 27,105 37,106 0.356,107 0.712,108 0.781,109 0.802,110 0.823,111 0.823,112 3.188,113 0.93,114 -5.29,115 -5.17,116 -4.84,118 42.9,120 2,121 2,127 1,131 4,132 2,134 1,141 1,142 1,146 1,154 11,157 2,159 2,161 2,162 11,166 2,170 2,171 9,174 1,175 6,179 4,181 8,185 4,188 2,190 7,194 5,197 1,198 6,201 2,207 2,211 1,215 1,224 779,225 14.85,226 14.85,227 14.85,228 14.85,229 14.85,230 13.413,231 17.356,232 8.445,233 15.498,234 12.329,235 12.329,236 12.329,237 12.329,238 12.329,239 10.14,240 22.331,241 4,242 13.507,243 3.189,244 1.254,245 0.879,246 0.764,247 0.65,248 0.65,249 3.846,252 1,253 1,254 449,255 3.937,256 49.416,258 75.813,259 84.202,261 1.599,262 49.866,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 54,274 213,275 4.458,276 4.46,277 7.112,278 4.208,279 3.319,280 3.877,281 3.825,282 11.663,283 3.172,284 4.281,285 3.83,286 6.768,287 4.118,288 3.152,289 3.723,290 1.987,291 11.052,292 2.846,293 4.071,294 3.009,295 5.599,296 3.544,297 2.698,298 3.439,299 0.324,300 7.708,301 2.337,302 3.571,303 2.871,304 5.346,305 3.317,306 2.331,307 2.818,309 6.721,310 2.242,311 3.406,312 2.423,313 5.048,314 3.076,315 2.121,316 2.491,318 5.872,319 1.986,320 3.033,321 2.231,322 4.638,323 2.613,324 1.725,325 2.158,326 4.873,327 1.496,328 2.878,329 1.97,330 4.504,331 2.428,332 1.495,333 1.971,334 4.35,335 1.35,336 2.5,337 1.042,338 3.602,339 2,340 1,341 1.5,342 2.275,343 1,344 2.208,345 1,346 3.414,347 1.613,348 0.741,349 1.071,350 1.796,351 0.633,352 1.78,353 0.861,354 3.268,355 1.503,356 0.537,357 0.627,358 1.486,359 0.512,360 1.022,361 0.51,362 2.799,363 0.584,364 -0.342,365 -0.417,366 -0.882,367 -0.299,368 0.839,369 0.51,370 2.599,371 0.551,372 -0.436,373 -0.51,374 -1.065,375 -0.429,376 0.5,377 0.385,378 2.306,379 0.127,380 -0.838,381 -0.976,383 -2.006,384 -0.679,385 0.423,386 -0.071,387 2,389 -0.9,390 -1,392 -2.232,393 -0.7,394 0.289,395 -0.209,396 2,398 -1,399 -1,401 -3,402 -0.7,403 10.61,404 0.461,405 0.83,406 0.036,407 26.75,408 1.163,409 12,410 0.522,411 14.75,412 0.641,413 18.954,414 0.824,415 25.99,416 0.743,417 20.292,418 0.882,419 5.105,420 0.222,421 5.737,422 0.249,423 0.139,424 0.047,425 0.33,426 3,428 1,429 0.557,430 0.863,431 0.61,432 0.873,433 0.56,434 0.838,435 0.384,436 0.789,437 0.667,438 1.09,439 0.411,440 1.072,441 0.67,442 0.832,443 0.805,444 0.985,445 0.653,446 1.004,447 0.887,448 0.869,449 0.788,450 0.923,451 0.897,452 1.035,453 1.019,454 0.711,455 1.085,456 0.821,457 1.011,458 1.053,459 0.447,460 0.63,461 0.857,462 0.901,463 0.452,464 1.005,465 0.948,466 1.016,467 1.499,468 1.281,469 0.895,470 1.025,471 1.257,472 1.503,473 1.193,474 1.318,475 1.292,476 1.284,477 6.5,478 0.092,479 2.722,480 2.125,481 1.082,482 0.861,483 0.481,484 0.475,485 0.278,486 0.137,487 5443,488 24620,489 2.006,490 34.3,491 5,492 4,494 1,495 1,496 1,499 1.659,500 1.828,501 3.147,502 -0.198,504 1,506 1,507 67.902,508 1.94,509 3.876,510 4.251,511 4.365,512 4.479,513 4.479,514 2.674,515 4.056,516 4.493,517 3.366,518 851.616,519 7.746,520 9698.53,521 1,522 1,523 1,524 1,525 179.525,526 1.72,527 4.418,528 0.26,529 0.01,530 0.08,531 0.064,532 0.033,533 0.032,534 0.019,535 0.019,536 0.012,537 0.015,538 0.545,539 0.33,540 1,541 0.872,542 107.392,543 -0.033,544 -0.012,545 0.022,546 0.063,547 -0.044,548 0.049,549 0.385,550 0.159,551 0.168,552 -0.109,553 0.348,554 -0.151,555 0.004,556 -0.099,557 0.031,558 -0.092,559 0.023,560 0.008,561 -0.065,562 -0.062,563 0.015,564 -0.079,565 -0.062,566 -0.066,567 -0.216,568 0.016,569 -0.198,570 0.049,571 -0.18,572 -0.064,573 0.112,574 -0.041,575 0.184,576 0.083,577 0.101,578 0.113,579 -0.136,580 -0.118,581 -0.214,582 -0.093,583 -0.115,584 0.052,585 0.13,586 -0.205,587 -0.19,588 -0.331,589 0.104,590 -0.424,591 5.658,592 5.397,593 0.609,594 19.168,595 1.053,596 1.154,597 4.057,598 16.456,599 0.691,600 3.258,601 3.638,602 3.784,603 4.007,604 4.078,605 4.127,606 4.29,607 4.317,608 4.111,609 3.761,610 5.681,611 0.69,612 344.36,613 3.258,614 4.828,615 5.673,616 6.572,617 7.434,618 8.333,619 9.202,620 10.1,621 10.975,622 11.873,623 5.7,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 35,650 12,651 1,652 25,654 37,655 15,656 9,657 2,658 4,660 3,661 3,663 1,666 2,667 1,668 1,669 2,671 10,672 5,673 2,674 1,677 1,680 1,681 1,682 1,683 4,684 12,685 7,686 1,687 8,688 1,691 2,692 1,693 1,701 1,703 1,704 1,709 1,717 3,719 1,723 4,724 23,729 2,730 1,733 2,735 1,737 1,740 4,741 2.9,744 1,747 12.583,748 6.188,749 4.833,750 2.072,751 1.698,752 1.262,753 0.985,754 4.308,755 8.165,756 3.481,757 4.056,758 4.49,759 5.004,760 5.293,761 5.436,762 5.776,763 5.859,764 5.75,765 5.804,766 1,767 33,768 9.002,770 4.458,771 8.612,772 15.409,774 13.099,776 3.112,777 71.583,781 129.482,782 109.929,783 34.796,785 25.145,786 59.84,787 31.278,788 78.651,789 154.627,790 94.637,792 23.08,793 37.905,794 58.406,795 83.054,797 148.989,798 7.76,799 129.482,800 113.448,801 84.985,802 31.278,804 129.482,805 70.025,806 14.96,807 47.681,808 48.981,809 16.786,810 31.278,811 189.323,812 59.941,813 109.929,815 137.242,816 55.217,817 46.952,818 18.011,819 101.771,820 129.482,821 119.782,822 109.929,823 0.604,824 0.316,825 0.159,826 0.074,827 19,828 9,829 0.108,830 4,832 1,833 3.487,834 181.519,836 14,837 93.287,838 1,840 16.229,841 6.105,842 4.014,844 119.782,845 5.605,846 3.721,849 0.708,850 -0.601,851 18.011,852 359.193,853 31.5,856 12.397,859 -0.374,860 36.843,861 40.391,862 0.378,863 0.756,864 0.829,865 0.851,866 0.873,867 0.873,868 4.76,869 1,870 5.727,871 4.35,872 4.317,873 4.741,874 3.326,875 6.594,876 4.166,877 6.002,878 0.741,879 7.339,880 2.275,881 4.29,882 4.691,883 3.979,884 7.856,885 4.002,886 7.335,887 0.537,888 9.062,889 1.796,890 6.047,891 6.858,892 5.51,893 10.826,894 5.76,895 8.696,896 -0.342,897 10.849,898 1.486,899 6.735,900 7.501,901 6.718,902 12.838,903 6.32,904 10.083,905 -0.436,906 12.678,907 -0.882,908 8.095,909 9.235,910 8.081,911 15.438,912 7.672,913 11.487,914 -0.838,915 14.536,916 -1.065,917 9.067,918 10.196,919 9.397,920 17.721,921 8.544,922 12.906,923 -0.9,924 16.414,925 -2.006,926 10.299,927 11.74,928 10.74,929 20.211,930 9.751,931 3.319,932 -1,933 18.309,934 -2.232,935 11.389,936 12.865,937 12.077,938 22.592,939 10.765,940 3.152,941 11.663,942 20.215,943 -3,944 12.579,945 14.314,946 13.418,947 25.047,948 11.919,949 2.698,950 11.052,951 22.13,952 3.877,953 13.718,954 15.527,955 14.759,956 27.464,957 12.998,958 2.331,959 7.708,960 24.052,961 3.723,962 14.897,963 16.926,964 16.1,965 29.907,966 14.137,967 2.121,968 6.721,969 25.98,970 3.439,971 16.059,972 18.189,973 17.441,974 32.338,975 15.247,976 1.725,977 5.872,978 27.913,979 2.818,980 17.236,981 19.561,982 18.783,983 34.779,984 16.382,985 1.495,986 4.873,987 29.848,988 2.491,989 18.409,990 20.853,991 20.125,992 37.216,993 17.508,994 5378,995 11575,996 16.008,997 24.193,998 39.166,999 38.604,1000 39.397,1001 38.44,1002 38.238,1003 47.351,1004 12.272,1005 115.589,1006 35.149,1007 5.42,1008 6.46,1009 6.526,1010 5.32,1011 5.319,1012 6.877,1013 5.335,1014 18.645,1015 5.172,1016 13.43,1017 1.567,1018 1.544,1019 1.576,1020 1.538,1021 1.53,1022 1.894,1023 0.491,1024 4.624,1025 1.406,1026 4.034,1027 4.065,1028 4.233,1029 3.96,1030 8.513,1031 3.955,1032 3.83,1033 3.863,1034 3.954,1035 3.78,1036 8.201,1037 3.728,1038 3.797,1039 3.828,1040 3.734,1041 3.72,1042 7.999,1043 3.691,1044 3.403,1045 3.438,1046 3.375,1047 3.184,1048 7.999,1049 3.213,1050 3.226,1051 3.266,1052 3.221,1053 2.894,1054 7.428,1055 2.962,1056 2.854,1057 2.925,1058 2.687,1059 2.735,1060 4.77,1061 2.715,1062 2.694,1063 2.773,1064 2.638,1065 2.427,1066 4.684,1067 2.454,1068 2.439,1069 2.474,1070 2.576,1071 2.209,1072 4.235,1073 2.206,1074 0.178,1075 0.178,1076 0.284,1077 0.168,1078 0.133,1079 4.458,1080 0.155,1081 4.46,1082 0.153,1083 7.112,1084 0.467,1085 4.208,1086 0.127,1087 3.319,1088 3.877,1089 3.825,1090 11.663,1091 3.172,1092 1.938,1093 1.917,1094 2.035,1095 2.026,1096 1.255,1097 2.027,1098 1.534,1099 1.506,1100 1.653,1101 1.744,1102 0.93,1103 1.711,1104 1.323,1105 1.314,1106 1.513,1107 1.527,1108 0.825,1109 1.499,1110 1.243,1111 1.203,1112 1.422,1113 1.415,1114 0.494,1115 1.429,1116 1.153,1117 1.064,1118 1.243,1119 1.376,1120 0.4,1121 1.404,1122 0.987,1123 0.945,1124 1.181,1125 1.294,1126 0.289,1127 1.248,1128 0.886,1129 0.821,1130 1.114,1131 1.062,1132 0.218,1133 1.107,1134 0.761,1135 0.733,1136 0.838,1137 0.997,1139 0.999,1140 3.932,1141 1.946,1142 5.293,1143 3.932,1144 6.825,1145 5.82,1146 8.432,1147 7.656,1148 10.079,1152 50.782,1155 1.677,1156 2.534,1159 -0.458,1161 -4.408,1164 24.166,1165 67.902,1166 135.651,1167 148.77,1168 152.77,1169 156.77,1170 156.77,1171 63.591,1172 6.468,1173 41.99,1174 70.23,1175 14,1176 12.401,1177 3.7,1178 2.907,1179 36.775,1180 75,1181 78,1182 0.235,1183 148.42,1184 266.92,1185 353.904,1186 4274,1187 11.4,1188 16.613,1189 0.722,1190 0.546,1191 13.596,1192 12.548,1193 10.842,1194 0.434,1195 0.31,1196 6.861,1197 9.8,1198 6.742,1199 5.485,1200 9.691,1201 7.754,1202 10.89,1203 0.294,1204 0.172,1205 8.908,1206 6.374,1207 7.584,1208 0.176,1209 0.095,1210 6.936,1211 4.093,1212 6.291,1213 0.117,1214 0.054,1215 5.922,1216 2.893,1217 4.308,1218 0.074,1219 0.029,1220 3.967,1221 1.683,1222 0.364,1223 73.692,1224 0.25,1225 22.485,1226 0.659,1227 124,1228 629.018,1229 179.572,1230 517.695,1231 655.7,1232 476,1233 145,1234 426.431,1235 182.958,1236 420.994,1237 637.28,1238 394,1239 5.959}
{0 CHEMBL608991,1 2.002,2 9.348,3 4.852,4 23.546,5 84.619,6 9.806,7 0.458,8 3.716,9 3.812,10 3.533,11 3.319,12 4.942,13 3.288,14 4.27,15 4.411,16 4.025,17 3.681,18 6.016,19 3.644,20 4.457,21 4.634,22 3.937,23 3.774,24 5.821,25 3.703,26 4.58,27 4.786,28 4.068,29 3.754,30 5.913,31 3.702,32 4.484,33 4.679,34 3.747,35 3.693,36 5.802,37 3.608,38 4.508,39 4.745,40 3.784,41 3.722,42 5.633,43 3.578,44 4.342,45 4.537,46 3.874,47 3.601,48 5.972,49 3.469,50 4.07,51 4.236,52 3.396,53 3.331,54 5.369,55 3.221,56 0.183,57 0.74,58 4.286,59 3.684,60 31.649,61 3.704,62 0.856,63 1.489,64 13.464,65 6.436,66 148.512,67 6.805,68 0.665,69 1.233,70 18.803,71 7.768,72 85.762,73 8.704,74 0.797,75 1.397,76 28.343,77 9.563,78 115.305,79 9.988,80 0.79,81 1.064,82 17.959,83 7.202,84 93.732,85 7.957,86 0.754,87 1.105,88 25.718,89 9.132,90 114.464,91 10.394,92 0.898,93 0.963,94 29.821,95 8.372,96 158.461,97 8.438,98 0.54,99 0.892,100 21.124,101 6.213,102 80.754,103 5.906,104 54,105 35,106 0.366,107 0.703,108 0.782,109 0.802,110 0.802,111 0.802,112 3.188,113 1.004,114 -5.41,115 -5.29,116 -4.94,118 40.5,119 2,121 2,127 1,131 4,132 1,133 1,135 1,139 1,142 1,146 1,154 8,157 2,159 2,161 2,162 12,166 2,170 2,171 10,174 1,175 6,179 4,181 8,185 4,188 2,190 7,194 4,198 5,201 3,205 1,207 4,219 1,221 1,224 735,225 14.403,226 14.403,227 14.403,228 14.403,229 14.403,230 12.965,231 17.329,232 8.217,233 15.077,234 11.809,235 11.809,236 11.809,237 11.809,238 11.809,239 9.62,240 22.94,241 3.871,242 13.049,243 3.207,244 1.361,245 0.926,246 0.818,247 0.818,248 0.818,249 3.836,250 1,253 1,254 437,255 4.243,258 74.487,259 86.884,261 1.437,262 42.434,264 1,265 0.75,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.86,273 52.833,274 215,275 4.473,276 4.461,277 7.118,278 4.173,279 3.328,280 3.92,281 3.825,282 11.699,283 3.088,284 4.28,285 3.818,286 6.685,287 4.083,288 3.086,289 3.728,290 1.987,291 10.661,292 2.797,293 3.859,294 2.972,295 5.483,296 3.41,297 2.521,298 3.191,299 0.324,300 7.36,301 2.274,302 3.701,303 2.762,304 5.194,305 3.261,306 2.38,307 2.973,309 6.381,310 2.051,311 3.246,312 2.576,313 4.829,314 2.784,315 1.844,316 2.455,318 5.271,319 1.707,320 2.948,321 1.935,322 4.633,323 2.756,324 1.779,325 1.977,326 4.603,327 1.635,328 2.65,329 1.726,330 4.33,331 2.197,332 1.3,333 1.672,334 3.745,335 1.134,336 2.5,337 1,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 2.167,345 0.925,346 3.293,347 1.473,348 0.688,349 1.01,350 1.682,351 0.531,352 1.543,353 0.749,354 3.171,355 1.28,356 0.321,357 0.369,358 0.815,359 0.288,360 0.992,361 0.51,362 2.697,363 0.588,364 -0.319,365 -0.382,366 -0.799,367 -0.236,368 0.883,369 0.51,370 2.428,371 0.432,372 -0.509,373 -0.671,374 -1.228,375 -0.458,376 0.5,377 0.425,378 2,380 -1,381 -1,383 -2,384 -0.7,385 0.094,386 0.148,387 2,389 -1,390 -1,392 -3,393 -0.7,395 -0.643,396 2,397 -0.3,398 -1,399 -1,401 -3,402 -1,403 11.038,404 0.48,405 0.905,406 0.039,407 26.25,408 1.141,409 12,410 0.522,411 14.25,412 0.62,413 21.239,414 0.923,415 26.162,416 0.707,417 20.034,418 0.871,419 4.954,420 0.215,421 5.726,422 0.249,423 0.263,424 0.045,425 0.317,426 3,429 0.567,430 0.936,431 0.588,432 0.868,433 0.594,434 0.867,435 0.36,436 0.757,437 0.639,438 0.94,439 0.37,440 0.904,441 0.598,442 0.736,443 0.863,444 0.963,445 0.596,446 1.07,447 0.734,448 0.941,449 0.714,450 1.056,451 0.787,452 0.955,453 0.676,454 0.497,455 0.775,456 0.806,457 0.772,458 1.064,459 0.666,460 0.692,461 0.841,462 0.848,463 0.668,464 0.955,465 0.474,466 0.749,467 1.43,468 1.309,469 0.352,470 1.03,471 1.243,472 1.199,473 1.975,474 1.515,475 1.12,476 1.516,477 7,478 0.082,479 3.111,480 2.25,481 1.477,482 0.816,483 0.67,484 0.316,485 0.375,486 0.137,487 4975,488 22740,489 1.888,490 37.8,491 7,492 4,493 1,495 1,496 1,499 1.659,500 1.693,501 3.173,502 -0.198,507 74.089,508 2.002,509 3.848,510 4.283,511 4.391,512 4.391,513 4.391,514 2.653,515 3.969,516 4.496,517 3.363,518 850.799,519 7.749,520 9709.66,522 1,525 192.75,526 1.771,527 4.392,528 0.292,529 0.009,530 0.089,531 0.068,532 0.045,533 0.03,534 0.027,535 0.013,536 0.022,537 0.008,538 0.602,539 0.33,540 1,541 1.025,542 107.453,543 -0.036,544 -0.035,545 0.015,546 0.039,547 -0.083,548 0.024,549 0.443,550 0.249,551 0.142,552 0.022,553 0.43,554 0.024,555 0.064,556 0.013,557 -0.039,558 -0.083,559 0.051,560 -0.104,561 0.037,562 -0.175,563 0.189,564 -0.112,565 -0.002,566 0.065,567 -0.023,568 0.119,569 -0.085,570 0.008,571 -0.075,572 -0.132,573 -0.018,574 -0.029,575 0.107,576 0.116,577 -0.036,578 0.122,579 0.276,580 0.027,581 -0.083,582 -0.071,583 0.358,584 0.046,585 -0.265,586 -0.211,587 -0.62,588 -0.444,589 -0.238,590 -0.506,591 5.771,592 5.44,593 0.478,594 17.781,595 1.042,596 1.146,597 4.176,598 17.439,599 0.699,600 3.219,601 3.584,602 3.738,603 3.932,604 3.989,605 4.025,606 4.025,607 3.932,608 3.932,609 3.761,610 5.676,611 0.679,612 362.83,613 3.219,614 4.779,615 5.602,616 6.491,617 7.335,618 8.221,619 9.074,620 9.958,621 10.815,622 11.697,623 5.4,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 37,650 12,651 1,652 24,654 38,655 15,656 9,657 2,658 4,660 2,661 2,662 1,663 3,668 1,671 10,672 5,673 2,674 1,677 1,680 1,683 3,684 14,685 6,686 1,687 8,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,723 3,724 23,730 1,733 2,735 1,737 1,740 4,741 2.7,744 1,747 13.583,748 7.188,749 4.917,750 2.153,751 1.772,752 1.279,753 0.941,754 5.561,755 8.133,756 3.45,757 4.021,758 4.467,759 4.976,760 5.266,761 5.371,762 5.511,763 5.522,764 5.558,765 5.784,766 1,767 33,768 8.989,770 4.307,771 8.487,772 15.329,774 12.34,776 2.987,777 68.694,781 153.024,782 116.89,783 34.796,784 39.149,785 25.145,786 44.88,787 31.278,788 85.612,789 217.318,790 79.677,791 17.65,792 18.011,793 45.554,794 46.635,795 54.824,796 11.771,797 172.531,798 46.908,799 153.024,800 120.409,801 70.025,802 70.426,804 153.024,805 70.025,807 46.678,808 56.945,809 55.934,810 31.278,811 197.905,812 59.941,813 156.039,815 160.784,816 45.926,817 63.204,818 18.011,819 125.959,820 153.024,821 104.822,822 156.039,823 0.602,824 0.327,825 0.163,826 0.08,827 16,828 9,829 0.105,830 4,832 1,833 3.334,834 174.776,836 11,837 93.287,838 1,840 18.059,841 7.083,842 4.6,844 104.822,845 7.683,846 3.411,849 0.747,850 0.216,851 18.011,852 413.885,853 30.5,856 12.44,859 -0.398,860 38.538,861 42.411,862 0.384,863 0.739,864 0.822,865 0.843,866 0.843,867 0.843,868 4.716,869 1,870 5.666,871 3.745,872 4.263,873 4.705,874 3.326,875 6.524,876 4.085,877 5.954,878 0.688,879 7.276,880 2.275,881 4.205,882 4.635,883 3.979,884 7.763,885 3.862,886 7.28,887 0.321,888 8.997,889 1.682,890 5.969,891 6.823,892 5.51,893 10.739,894 5.629,895 8.639,896 -0.319,897 10.783,898 0.815,899 6.648,900 7.461,901 6.718,902 12.749,903 6.153,904 10.024,905 -0.509,906 12.612,907 -0.799,908 8.006,909 9.208,910 8.081,911 15.346,912 7.496,913 11.428,914 -1,915 14.47,916 -1.228,917 8.978,918 10.168,919 9.397,920 17.629,921 8.344,922 12.847,923 -1,924 16.35,925 -2,926 10.208,927 11.722,928 10.74,929 20.115,930 9.534,931 3.328,932 -1,933 18.246,934 -3,935 11.299,936 12.851,937 12.077,938 22.495,939 10.525,940 3.086,941 11.699,942 20.153,943 -3,944 12.49,945 14.309,946 13.418,947 24.946,948 11.659,949 2.521,950 10.661,951 22.07,952 3.92,953 13.632,954 15.531,955 14.759,956 27.363,957 12.714,958 2.38,959 7.36,960 23.994,961 3.728,962 14.812,963 16.94,964 16.1,965 29.805,966 13.829,967 1.844,968 6.381,969 25.923,970 3.191,971 15.976,972 18.215,973 17.441,974 32.236,975 14.914,976 1.779,977 5.271,978 27.857,979 2.973,980 17.156,981 19.597,982 18.783,983 34.677,984 16.024,985 1.3,986 4.603,987 29.794,988 2.455,989 18.332,990 20.903,991 20.125,992 37.115,993 17.124,994 5140,995 11208,996 14.622,997 25.875,998 37.317,999 36.561,1000 37.969,1001 36.748,1002 36.495,1003 45.59,1004 12.272,1005 108.987,1006 33.009,1007 5.362,1008 6.461,1009 6.533,1010 5.283,1011 5.328,1012 6.92,1013 5.335,1014 18.733,1015 5.088,1016 15.738,1017 1.555,1018 1.523,1019 1.582,1020 1.531,1021 1.521,1022 1.9,1023 0.511,1024 4.541,1025 1.375,1026 3.978,1027 4.004,1028 4.229,1029 3.917,1030 8.513,1031 3.905,1032 3.853,1033 3.876,1034 4.006,1035 3.812,1036 7.999,1037 3.753,1038 3.643,1039 3.692,1040 3.651,1041 3.534,1042 7.999,1043 3.52,1044 3.35,1045 3.403,1046 3.422,1047 3.081,1048 7.428,1049 3.109,1050 3.128,1051 3.158,1052 3.222,1053 2.881,1054 4.939,1055 2.892,1056 2.874,1057 3.009,1058 3.141,1059 2.735,1060 4.785,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.682,1066 4.353,1067 2.686,1068 2.836,1069 2.871,1070 2.499,1071 2.618,1072 4.124,1073 2.57,1074 0.186,1075 0.186,1076 0.297,1077 0.174,1078 0.139,1079 4.473,1080 0.163,1081 4.461,1082 0.159,1083 7.118,1084 0.487,1085 4.173,1086 0.129,1087 3.328,1088 3.92,1089 3.825,1090 11.699,1091 3.088,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.802,1102 0.999,1103 1.828,1104 1.471,1105 1.451,1106 1.508,1107 1.721,1108 0.642,1109 1.651,1110 1.368,1111 1.334,1112 1.426,1113 1.577,1114 0.547,1115 1.567,1116 1.048,1117 1.028,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.161,1126 0.324,1127 1.207,1128 0.886,1129 0.804,1130 1.101,1131 1.062,1132 0.218,1133 1.107,1134 0.715,1135 0.697,1136 0.797,1137 1.015,1139 0.967,1140 3.892,1142 5.242,1143 2.398,1144 6.756,1145 4.595,1146 8.344,1147 6.605,1148 9.971,1150 3.726,1151 5.835,1152 37.642,1156 2.464,1159 -0.552,1161 -4.521,1164 25.137,1165 74.089,1166 142.385,1167 158.485,1168 162.485,1169 162.485,1170 162.485,1171 68.019,1172 6.361,1173 41.99,1174 70.23,1175 11,1176 12.236,1177 3.7,1178 2.907,1179 45.232,1180 77,1181 76,1182 0.289,1183 162.948,1184 288.42,1185 389.352,1186 3869,1187 10.8,1188 17.198,1189 0.748,1190 0.604,1191 15.552,1192 13.889,1193 10.681,1194 0.445,1195 0.335,1196 6.758,1197 9.438,1198 6.463,1199 5.366,1200 10.212,1201 8.03,1202 10.796,1203 0.308,1204 0.188,1205 9.824,1206 6.593,1207 7.503,1208 0.183,1209 0.103,1210 7.529,1211 4.213,1212 6.095,1213 0.122,1214 0.06,1215 6.436,1216 3,1217 4.106,1218 0.077,1219 0.032,1220 4.237,1221 1.71,1222 0.448,1223 75.444,1224 0.262,1225 22.455,1226 0.807,1227 118,1228 563.111,1229 180.309,1230 512.389,1231 644.5,1232 470,1233 135,1234 400.97,1235 180.5,1236 410.852,1237 617.72,1238 383,1239 4.77}
{0 CHEMBL609291,1 1.927,2 8.35,3 3.447,4 11.884,5 77.338,6 9.713,7 0.5,8 3.592,9 3.683,10 3.431,11 3.267,12 4.761,13 3.217,14 4.096,15 4.224,16 3.876,17 3.633,18 5.291,19 3.567,20 4.324,21 4.502,22 3.758,23 3.671,24 5.527,25 3.589,26 4.332,27 4.508,28 3.693,29 3.63,30 5.584,31 3.547,32 4.363,33 4.579,34 3.641,35 3.612,36 5.499,37 3.499,38 4.262,39 4.478,40 3.687,41 3.565,42 5.505,43 3.411,44 4.004,45 4.181,46 3.539,47 3.346,48 5.274,49 3.193,50 3.69,51 3.894,52 2.966,53 2.883,54 5.029,55 2.755,56 0.077,57 0.52,58 3.904,59 2.917,60 9.403,61 3.171,62 0.218,63 0.877,64 10.329,65 5.227,66 22.371,67 5.793,68 0.371,69 0.973,70 18.781,71 7.108,72 51.491,73 7.938,74 0.454,75 0.909,76 16.381,77 6.457,78 52.617,79 7.093,80 0.401,81 0.95,82 17.607,83 7.322,84 53.946,85 8.267,86 0.483,87 0.874,88 22.401,89 7.597,90 78.633,91 7.998,92 0.366,93 0.71,94 21.86,95 6.112,96 42.567,97 6.04,98 0.321,99 0.625,100 15.166,101 4.398,102 41.191,103 3.974,104 10,105 32,106 0.361,107 0.703,108 0.764,109 0.819,110 0.819,111 0.819,112 3.059,113 1.021,114 -4.92,115 -4.82,116 -4.53,118 43.8,120 3,122 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,157 2,159 2,161 2,162 12,166 3,170 3,171 11,174 1,175 5,179 3,181 8,185 5,188 2,190 6,194 3,198 5,201 3,205 1,207 3,219 1,221 1,224 518,225 13.325,226 13.325,227 13.325,228 13.325,229 13.325,230 11.825,231 15.36,232 7.633,233 13.859,234 10.8,235 10.8,236 10.8,237 10.8,238 10.8,239 8.582,240 21.053,241 3.554,242 11.77,243 3.073,244 1.246,245 0.922,246 0.625,247 0.625,248 0.625,249 3.724,250 1,252 1,253 1,254 358,255 3,257 50.663,258 61.639,259 70.138,261 1.285,262 26.505,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 43.833,274 167,275 4.73,276 4.171,277 7.953,278 4.628,279 3.626,280 4.015,281 1.987,282 15.014,283 3.632,284 4.089,285 3.077,286 5.652,287 3.542,288 2.7,289 3.708,290 0.324,291 7.72,292 2.313,293 3.846,294 2.952,295 5.419,296 3.364,297 2.442,298 3.322,300 6.581,301 2.193,302 3.329,303 2.844,304 4.997,305 2.913,306 1.996,307 2.544,309 5.601,310 1.8,311 3.071,312 2.227,313 4.743,314 2.676,315 1.745,316 2.239,318 4.975,319 1.567,320 2.815,321 1.893,322 4.462,323 2.432,324 1.482,325 1.82,326 3.87,327 1.361,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.206,337 0.963,338 3.414,339 1.632,340 0.741,341 1.066,342 1.747,343 0.641,344 1.758,345 0.862,346 3.308,347 1.534,348 0.596,349 0.668,350 1.413,351 0.549,352 1.022,353 0.443,354 3.257,355 1,360 1.018,361 0.287,362 2.894,363 0.6,364 -0.254,365 -0.306,366 -0.577,367 -0.173,368 1,370 2.346,371 0.546,372 -0.376,373 -0.475,374 -0.935,375 -0.322,376 0.5,377 -0.099,378 2,380 -0.843,381 -1.022,383 -2.006,384 -0.689,385 0.415,386 -0.714,387 1.857,388 -0.039,389 -1,390 -1.486,392 -3,393 -0.978,394 0.014,395 -0.935,396 1.652,397 -0.387,398 -1.277,399 -1.5,401 -3.099,402 -1,403 9.967,404 0.498,405 0.573,406 0.029,407 24.75,408 1.238,409 12,410 0.6,411 12.75,412 0.638,413 16.243,414 0.812,415 21.233,416 0.664,417 15.306,418 0.765,419 4.468,420 0.223,421 5.131,422 0.257,423 0.134,424 0.05,425 0.251,428 1,429 0.572,430 0.936,431 0.58,432 0.769,433 0.501,434 0.778,435 0.481,436 1.043,437 0.631,438 1.013,439 0.53,440 0.948,441 0.841,442 0.928,443 0.917,444 0.997,445 0.856,446 1.017,447 0.843,448 0.718,449 0.833,450 0.916,451 0.959,452 1.085,453 0.875,454 0.8,455 0.634,456 0.777,457 0.965,458 0.93,459 0.747,460 0.777,461 1.042,462 0.952,463 0.685,464 0.883,465 0.984,466 1.139,467 1.786,468 1.523,469 0.798,470 1.281,471 2.091,472 1.577,473 1.782,474 1.317,475 1.95,476 1.231,477 5.5,478 0.049,479 2.889,480 1.819,481 1.067,482 0.708,483 0.434,484 0.184,485 0.148,486 0.057,487 3657,488 13804,489 2.065,490 37.5,491 6,492 4,494 1,495 1,499 1.62,500 1.92,501 3.041,502 -0.222,504 1,506 1,507 61.677,508 1.927,509 3.754,510 4.078,511 4.375,512 4.375,513 4.375,514 2.504,515 3.546,516 4.292,517 3.151,518 598.748,519 7.347,520 6017.35,521 1,522 1,523 1,524 1,525 160,526 1.601,527 4.237,528 0.25,529 0.016,530 0.096,531 0.063,532 0.041,533 0.03,534 0.02,535 0.011,536 0.015,537 0.009,538 0.551,539 0.5,540 1,541 0.627,542 87.696,543 -0.043,544 -0.01,545 0.02,546 0.06,547 -0.012,548 0.047,549 0.15,550 -0.128,551 0.121,552 -0.108,553 0.066,554 -0.054,555 -0.007,556 -0.069,557 -0.068,558 -0.109,559 -0.007,560 -0.06,561 -0.015,562 0.024,563 -0.097,564 -0.103,565 -0.054,566 -0.173,567 -0.076,568 -0.026,569 0.095,570 0.104,571 -0.071,572 0.065,573 0.066,574 0.056,575 0.044,576 0.149,577 0.124,578 0.172,579 -0.006,580 -0.176,581 -0.308,582 -0.338,583 0.01,584 -0.244,585 -0.423,586 -0.051,587 -0.451,588 -0.173,589 -0.322,590 -0.222,591 2.075,592 5.511,593 0.75,594 13.9,595 1.023,596 1.122,597 3.689,598 13.612,599 0.734,600 3.135,601 3.497,602 3.784,603 3.951,604 4.043,605 4.025,606 4.094,607 3.989,608 3.761,609 3.434,610 4.916,611 0.697,612 310.8,613 3.135,614 4.691,615 5.557,616 6.457,617 7.344,618 8.25,619 9.148,620 10.058,621 10.963,622 11.875,623 6.3,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 32,650 12,651 1,652 22,654 34,655 14,656 9,657 2,658 4,660 3,661 3,662 1,664 1,665 1,666 3,669 3,671 10,672 4,674 1,677 1,680 1,681 1,682 1,683 1,684 12,685 4,686 1,687 6,688 2,691 2,692 1,693 1,702 1,703 1,704 1,709 1,717 3,719 1,722 1,723 1,724 20,729 3,730 1,735 1,737 1,740 2,741 3.1,744 1,747 10.417,748 5.736,749 4.333,750 1.952,751 1.644,752 1.264,753 0.981,754 3.675,755 7.878,756 3.384,757 3.966,758 4.479,759 4.948,760 5.239,761 5.3,762 5.563,763 5.57,764 5.536,765 5.602,766 0.833,767 29,768 7.431,770 3.3,771 8.026,772 13.926,774 11.846,776 2.526,777 50.528,781 129.482,782 105.019,783 34.796,784 39.149,785 25.145,786 14.96,787 31.278,788 73.741,789 193.776,790 49.756,792 25.614,793 37.905,794 58.406,795 38.488,797 148.989,798 39.149,799 129.482,800 108.538,801 40.105,802 70.426,804 129.482,805 25.145,806 14.96,807 42.456,808 49.296,809 55.934,810 31.278,811 144.442,812 59.941,813 144.168,815 129.482,816 58.067,817 46.952,818 18.011,819 96.039,820 129.482,821 74.901,822 144.168,823 0.593,824 0.352,825 0.174,826 0.086,827 17,828 7,829 0.088,830 3,832 1,833 3.236,834 151.905,836 15,837 80.439,838 1,840 13.81,841 5.322,842 2.567,844 74.901,845 8.434,846 3.826,849 0.834,850 1.482,851 18.011,852 348.551,853 28.5,856 12.511,859 -0.125,860 32.745,861 35.901,862 0.385,863 0.751,864 0.816,865 0.875,866 0.875,867 0.875,868 4.642,869 0.741,870 5.595,871 2.275,872 4.174,873 4.649,874 2.076,875 6.506,876 4.041,877 5.867,878 0.596,879 7.229,880 1.747,881 4.007,882 4.511,883 1.593,884 8.003,885 3.833,886 7.209,888 8.995,889 1.413,890 5.932,891 6.804,892 3.1,893 11.122,894 5.759,895 8.59,896 -0.254,897 10.851,899 6.635,900 7.453,901 3.168,902 13.527,903 6.49,904 10.008,905 -0.376,906 12.772,907 -0.577,908 8.09,909 9.229,910 4.312,911 16.319,912 7.954,913 11.45,914 -0.843,915 14.741,916 -0.935,917 9.154,918 10.229,919 4.654,920 18.959,921 9.058,922 12.913,923 -1,924 16.742,925 -2.006,926 10.473,927 11.793,928 5.601,929 21.687,930 10.392,931 3.626,932 -1.277,933 18.766,934 -3,935 11.676,936 12.965,937 6.091,938 24.38,939 11.623,940 2.7,941 15.014,942 20.806,943 -3.099,944 12.962,945 14.43,946 6.927,947 27.093,948 12.923,949 2.442,950 7.72,951 22.857,952 4.015,953 14.216,954 15.691,955 7.5,956 29.799,957 14.194,958 1.996,959 6.581,960 24.915,961 3.708,962 15.498,963 17.109,964 8.273,965 32.509,966 15.486,967 1.745,968 5.601,969 26.978,970 3.322,971 16.771,972 18.418,973 8.894,974 35.217,975 16.77,976 1.482,977 4.975,978 29.045,979 2.544,980 18.054,981 19.813,982 9.631,983 37.926,984 18.059,985 1,986 3.87,987 31.113,988 2.239,989 19.335,990 21.15,991 10.279,992 40.635,993 19.347,994 3597,995 7102,996 14.504,997 23.477,998 33.368,999 33.927,1000 35.056,1001 32.99,1002 32.655,1003 41.764,1004 4.622,1005 98.39,1006 30.11,1007 5.73,1008 6.171,1009 7.367,1010 5.736,1011 5.626,1012 7.015,1013 3.497,1014 22.89,1015 5.632,1016 9.343,1017 1.517,1018 1.542,1019 1.593,1020 1.5,1021 1.484,1022 1.898,1023 0.21,1024 4.472,1025 1.369,1026 4.035,1027 4.063,1028 4.234,1029 3.971,1030 8.201,1031 3.964,1032 3.811,1033 3.833,1034 4.028,1035 3.779,1036 7.428,1037 3.71,1038 3.71,1039 3.746,1040 3.766,1041 3.635,1042 4.94,1043 3.616,1044 3.21,1045 3.251,1046 3.212,1047 2.942,1048 4.765,1049 2.977,1050 2.854,1051 2.925,1052 3.14,1053 2.735,1054 4.38,1055 2.715,1056 2.816,1057 2.847,1058 2.687,1059 2.722,1060 4.073,1061 2.713,1062 2.524,1063 2.66,1064 2.613,1065 2.295,1066 3.69,1067 2.271,1068 2.498,1069 2.533,1070 2.498,1071 2.274,1072 3.674,1073 2.228,1074 0.215,1075 0.19,1076 0.361,1077 0.21,1078 0.165,1079 4.73,1080 0.183,1081 4.171,1082 0.09,1083 7.953,1084 0.682,1085 4.628,1086 0.165,1087 3.626,1088 4.015,1089 1.987,1090 15.014,1091 3.632,1092 2.007,1093 1.982,1094 2.134,1095 2.099,1096 1.515,1097 2.113,1098 1.725,1099 1.69,1100 1.875,1101 1.83,1102 1.015,1103 1.854,1104 1.336,1105 1.338,1106 1.446,1107 1.605,1108 0.502,1109 1.568,1110 1.323,1111 1.269,1112 1.294,1113 1.458,1114 0.396,1115 1.462,1116 0.901,1117 0.884,1118 1.181,1119 1.062,1120 0.325,1121 1.107,1122 0.886,1123 0.821,1124 1.079,1125 1.05,1126 0.228,1127 1.059,1128 0.678,1129 0.668,1130 0.974,1131 0.895,1132 0.218,1133 0.967,1134 0.585,1135 0.455,1136 0.769,1137 0.848,1139 0.861,1140 3.807,1142 5.198,1143 2.398,1144 6.779,1145 4.595,1146 8.45,1147 6.529,1148 10.174,1151 5.885,1152 12.927,1155 2.574,1156 2.714,1161 -0.535,1164 22.316,1165 61.677,1166 120.126,1167 130.49,1168 140,1169 140,1170 140,1171 40.227,1172 6.234,1173 41.99,1174 70.23,1175 15,1176 12.391,1177 3.7,1178 2.907,1179 29.866,1180 56,1181 60,1182 0.259,1183 143.565,1184 246.62,1185 342.06,1186 3080,1187 6.3,1188 14.165,1189 0.708,1190 0.605,1191 14.148,1192 12.1,1193 9.599,1194 0.436,1195 0.34,1196 6.319,1197 8.547,1198 6.105,1199 4.993,1200 9.948,1201 7.484,1202 8.965,1203 0.28,1204 0.196,1205 9.349,1206 6.283,1207 7.585,1208 0.176,1209 0.109,1210 8.162,1211 4.69,1212 5.82,1213 0.114,1214 0.058,1215 6.311,1216 2.964,1217 4.182,1218 0.075,1219 0.033,1220 4.349,1221 1.823,1222 0.393,1223 67.158,1224 0.263,1225 19.714,1226 0.749,1227 108,1228 380.888,1229 162.074,1230 393.562,1231 512.4,1232 364,1233 129,1234 326.294,1235 166.739,1236 350.208,1237 515.64,1238 329,1239 5.824}
{0 CHEMBL609584,1 1.696,2 9.095,3 4.078,4 16.633,5 80.764,6 8.292,7 0.545,8 3.687,9 3.801,10 3.328,11 3.276,12 4.869,13 3.244,14 4.192,15 4.356,16 3.699,17 3.641,18 5.38,19 3.585,20 4.482,21 4.68,22 3.755,23 3.77,24 5.679,25 3.689,26 4.541,27 4.775,28 3.661,29 3.718,30 5.703,31 3.627,32 4.499,33 4.707,34 3.57,35 3.675,36 5.729,37 3.593,38 4.496,39 4.746,40 3.53,41 3.666,42 5.543,43 3.538,44 4.341,45 4.581,46 3.606,47 3.556,48 5.63,49 3.429,50 4.15,51 4.38,52 3.085,53 3.363,54 5.193,55 3.18,56 0.044,57 0.568,58 6.307,59 3.381,60 7.286,61 4.188,62 0.161,63 0.889,64 12.657,65 5.791,66 22.681,67 7.375,68 0.362,69 1.114,70 21.213,71 7.559,72 57.182,73 9.437,74 0.352,75 1.05,76 23.797,77 8.059,78 52.661,79 10.639,80 0.461,81 1.009,82 19.917,83 6.937,84 67.922,85 8.746,86 0.338,87 0.982,88 23.228,89 8,90 57.217,91 10.577,92 0.481,93 0.846,94 21.503,95 6.611,96 76.369,97 8.88,98 0.265,99 0.706,100 22.097,101 6.351,102 37.576,103 7.993,104 27,105 30,106 0.309,107 0.648,108 0.766,109 0.823,110 0.823,111 0.823,112 3.103,113 0.958,114 -5.33,115 -5.21,116 -4.87,118 43.2,119 2,121 2,131 6,132 1,133 2,134 1,136 1,142 1,154 9,157 2,159 2,161 2,162 12,166 3,170 3,171 10,174 1,175 6,179 4,181 8,185 5,188 2,190 8,194 4,198 7,201 3,205 1,207 8,215 2,219 1,221 1,224 600,225 13.637,226 13.637,227 13.637,228 13.637,229 13.637,230 11.98,231 14.502,232 8.03,233 13.93,234 10.817,235 10.817,236 10.817,237 10.817,238 10.817,239 8.409,240 17.531,241 3.799,242 11.365,243 3.514,244 1.653,245 1.001,246 0.689,247 0.689,248 0.689,249 3.757,250 1,252 1,253 1,254 392,255 3.464,259 155.335,261 1.261,262 26.178,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 45.833,274 191,275 4.289,276 3.818,277 6.685,278 4.09,279 3.09,280 3.742,281 1.987,282 10.662,283 3.09,284 4.014,285 2.978,286 5.485,287 3.563,288 2.621,289 3.617,290 0.324,291 7.34,292 2.463,293 3.788,294 2.915,295 5.201,296 3.344,297 2.414,298 3.145,300 6.401,301 2.232,302 3.445,303 2.733,304 4.95,305 3.063,306 2.132,307 2.724,309 5.812,310 1.968,311 3.183,312 2.376,313 4.779,314 2.763,315 1.816,316 2.389,318 5.1,319 1.671,320 2.917,321 1.935,322 4.524,323 2.674,324 1.673,325 1.929,326 4.265,327 1.62,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.414,339 1.959,340 1,341 1.5,342 2.275,343 0.956,344 1.561,345 0.936,346 3.204,347 1.328,348 0.382,349 0.429,350 0.968,351 0.344,352 1.388,353 0.75,354 2.61,355 0.962,356 0.029,357 0.036,358 0.063,359 0.025,360 0.887,361 0.329,362 2,363 0.447,364 -0.414,365 -0.496,366 -0.965,367 -0.295,368 0.692,369 0.05,370 2,371 0.272,372 -0.682,373 -0.882,374 -1.621,375 -0.624,376 0.5,377 -0.665,378 2,380 -1,381 -1,383 -2,384 -0.973,385 0.5,386 -0.957,387 1.744,389 -1,390 -1.5,392 -3,393 -1,395 -1,396 1.561,397 -0.025,398 -1,399 -1.5,401 -3,402 -1,403 10.133,404 0.483,405 0.617,406 0.029,407 26.75,408 1.274,409 14,410 0.667,411 12.75,412 0.607,413 16.557,414 0.788,415 22.867,416 0.618,417 18.51,418 0.881,419 5.195,420 0.247,421 4.774,422 0.227,423 0.23,425 0.345,427 1,429 0.572,430 1.073,431 0.605,432 0.954,433 0.544,434 0.915,435 0.54,436 1.034,437 0.642,438 0.973,439 0.533,440 0.952,441 0.984,442 0.998,443 0.996,444 1.042,445 0.989,446 1.055,447 0.776,448 0.872,449 0.805,450 0.967,451 0.769,452 0.943,453 1.109,454 0.729,455 0.838,456 0.888,457 1.295,458 1.031,459 0.797,460 0.83,461 0.813,462 0.898,463 0.856,464 0.948,465 0.501,466 0.767,467 0.93,468 0.929,469 0.369,470 0.963,471 1.018,472 1.021,473 1.862,474 1.425,475 0.854,476 1.364,477 5,478 0.033,479 2.444,480 1.75,481 1.204,482 0.743,483 0.628,484 0.146,485 0.221,486 0.102,487 3950,488 14039,489 1.941,490 43.2,491 7,492 6,494 1,495 1,496 1,499 1.634,500 1.775,501 3.136,502 -0.291,504 1,507 62.75,508 1.696,509 3.556,510 4.209,511 4.52,512 4.52,513 4.52,514 2.629,515 3.785,516 4.363,517 3.265,518 685.553,519 7.488,520 7278.11,522 1,523 1,524 1,525 192.75,526 1.545,527 4.294,528 0.227,529 0.007,530 0.081,531 0.058,532 0.043,533 0.03,534 0.027,535 0.007,536 0.017,537 0.01,538 0.508,539 0.5,540 1,541 0.911,542 94.658,543 -0.03,544 -0.059,545 0.007,546 -0.006,547 -0.046,548 0.01,549 0.102,550 -0.069,551 0.079,552 -0.023,553 0.079,554 -0.002,555 -0.063,556 -0.018,557 -0.106,558 -0.088,559 -0.064,560 -0.108,561 0.014,562 -0.069,563 0.039,564 -0.036,565 0.056,566 0.034,567 -0.154,568 0.063,569 -0.142,570 -0.015,571 -0.173,572 -0.126,573 -0.046,574 -0.051,575 0.053,576 0.051,577 -0.067,578 0.055,579 0.255,580 0.064,581 0.126,582 0.038,583 0.277,584 0.034,585 -0.144,586 -0.143,587 -0.43,588 -0.346,589 -0.154,590 -0.314,591 2.105,592 5.447,593 0.571,594 15.265,595 1.012,596 1.13,597 4.096,598 16.779,599 0.685,600 3.135,601 3.434,602 3.611,603 3.807,604 3.932,605 3.85,606 3.892,607 3.714,608 3.664,609 3.497,610 5.287,611 0.654,612 306.79,613 3.135,614 4.654,615 5.468,616 6.326,617 7.159,618 8.019,619 8.86,620 9.721,621 10.565,622 11.426,623 5.4,628 1,631 1,633 7,634 1,638 4,639 12,648 2,649 37,650 13,651 1,652 22,654 38,655 16,656 11,657 2,658 4,660 2,661 2,662 1,663 2,671 12,672 4,673 2,674 1,677 1,680 1,682 1,683 1,684 16,685 4,686 1,687 5,688 1,691 2,692 1,693 1,699 1,704 2,709 1,717 2,721 2,722 1,723 1,724 21,730 1,733 2,740 2,741 2.7,744 1,747 11.833,748 7.152,749 4.667,750 2.216,751 1.955,752 1.317,753 0.939,754 5.053,755 8.121,756 3.401,757 3.951,758 4.401,759 4.9,760 5.363,761 5.272,762 5.471,763 5.511,764 5.49,765 5.768,766 1,767 30,768 7.763,770 3.258,771 8.053,772 14.404,774 11.434,776 2.553,777 53.611,781 176.567,782 106.395,783 34.796,784 39.149,785 25.145,786 14.96,788 106.395,789 240.86,790 49.756,791 17.65,792 18.011,793 56.857,794 58.406,795 24.855,796 17.288,797 164.795,798 39.149,799 176.567,800 141.191,801 40.105,802 39.149,804 191.527,805 25.145,807 44.709,808 79.697,809 55.934,811 191.527,812 59.941,813 145.544,815 176.567,816 22.84,817 83.555,818 18.011,819 96.039,820 176.567,821 74.901,822 145.544,823 0.583,824 0.325,825 0.169,826 0.09,827 13,828 7,829 0.105,830 4,832 1,833 3.239,834 151.521,836 12,837 86.239,840 15.619,841 6.794,842 4.1,844 74.901,845 10.963,846 3.84,850 1.406,851 18.011,852 397.012,853 29,856 12.447,859 -0.175,860 37.436,861 41.811,862 0.326,863 0.683,864 0.808,865 0.868,866 0.868,867 0.868,868 4.615,869 1,870 5.46,871 2.275,872 4.111,873 4.635,874 2.076,875 6.229,876 4.026,877 5.813,878 0.382,879 7.002,880 2.275,881 3.761,882 4.369,883 1.593,884 7.106,885 3.609,886 7.099,887 0.029,888 8.643,889 0.968,890 5.666,891 6.721,892 3.1,893 10.157,894 5.528,895 8.414,896 -0.414,897 10.342,898 0.063,899 6.066,900 7.144,901 3.168,902 11.892,903 5.898,904 9.753,905 -0.682,906 12.08,907 -0.965,908 7.496,909 9.042,910 4.312,911 14.494,912 7.338,913 11.11,914 -1,915 13.848,916 -1.621,917 8.252,918 9.796,919 4.654,920 16.606,921 8.096,922 12.48,923 -1,924 15.641,925 -2,926 9.489,927 11.476,928 5.601,929 19.054,930 9.34,931 3.09,932 -1,933 17.453,934 -3,935 10.426,936 12.422,937 6.091,938 21.322,939 10.292,940 2.621,941 10.662,942 19.282,943 -3,944 11.583,945 13.974,946 6.927,947 23.716,948 11.457,949 2.414,950 7.34,951 21.125,952 3.742,953 12.61,954 15.041,955 7.5,956 26.045,957 12.501,958 2.132,959 6.401,960 22.979,961 3.617,962 13.737,963 16.51,964 8.273,965 28.421,966 13.637,967 1.816,968 5.812,969 24.842,970 3.145,971 14.81,972 17.657,973 8.894,974 30.773,975 14.724,976 1.673,977 5.1,978 26.713,979 2.724,980 15.928,981 19.071,982 9.631,983 33.143,984 15.851,985 1,986 4.265,987 28.59,988 2.389,989 17.025,990 20.271,991 10.279,992 35.504,993 16.959,994 4044,995 7734,996 13.929,997 25.353,998 32.807,999 33.944,1000 34.22,1001 32.492,1002 32.311,1003 42.022,1004 4.622,1005 90.322,1006 30.738,1007 5.17,1008 5.818,1009 6.1,1010 5.133,1011 5.09,1012 6.742,1013 3.497,1014 17.391,1015 5.09,1016 12.426,1017 1.491,1018 1.543,1019 1.555,1020 1.477,1021 1.469,1022 1.91,1023 0.21,1024 4.106,1025 1.397,1026 3.98,1027 4.01,1028 4.015,1029 3.911,1030 8.202,1031 3.905,1032 3.858,1033 3.896,1034 3.844,1035 3.734,1036 7.428,1037 3.749,1038 3.642,1039 3.692,1040 3.636,1041 3.533,1042 4.939,1043 3.52,1044 3.318,1045 3.37,1046 3.223,1047 3.083,1048 4.817,1049 3.102,1050 2.934,1051 3.009,1052 3.197,1053 2.803,1054 4.353,1055 2.8,1056 2.874,1057 2.982,1058 2.779,1059 2.735,1060 4.124,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.624,1066 3.804,1067 2.625,1068 2.787,1069 2.858,1070 2.616,1071 2.618,1072 3.778,1073 2.57,1074 0.195,1075 0.174,1076 0.304,1077 0.186,1078 0.14,1079 4.289,1080 0.17,1081 3.818,1082 0.09,1083 6.685,1084 0.485,1085 4.09,1086 0.14,1087 3.09,1088 3.742,1089 1.987,1090 10.662,1091 3.09,1092 1.944,1093 1.92,1094 2.061,1095 2.041,1096 1.319,1097 2.048,1098 1.805,1099 1.768,1100 1.898,1101 1.951,1102 0.999,1103 1.94,1104 1.647,1105 1.597,1106 1.866,1107 1.791,1108 0.912,1109 1.823,1110 1.222,1111 1.175,1112 1.417,1113 1.496,1114 0.518,1115 1.467,1116 0.934,1117 0.839,1118 1.399,1119 1.239,1120 0.469,1121 1.308,1122 0.886,1123 0.821,1124 1.181,1125 1.074,1126 0.218,1127 1.107,1128 0.884,1129 0.804,1130 1.097,1131 1.062,1132 0.158,1133 1.086,1134 0.758,1135 0.696,1136 1.006,1137 0.989,1138 0.002,1139 1.011,1140 3.807,1142 5.106,1144 6.592,1146 8.161,1148 9.771,1150 3.938,1151 5.874,1152 12.826,1156 2.714,1159 -0.222,1164 24.183,1165 62.75,1166 131.589,1167 155.73,1168 167.24,1169 167.24,1170 167.24,1171 49.277,1172 6.165,1173 41.99,1174 41.99,1175 12,1176 11.979,1177 3.807,1178 3,1179 39.165,1180 64,1181 71,1182 0.296,1183 156.085,1184 272.43,1185 372.608,1186 3026,1187 5.4,1188 15.405,1189 0.734,1190 0.598,1191 15.035,1192 12.563,1193 9.969,1194 0.453,1195 0.319,1196 6.608,1197 9.347,1198 6.352,1199 5.33,1200 9.864,1201 7.028,1202 9.18,1203 0.306,1204 0.185,1205 8.967,1206 5.561,1207 6.872,1208 0.191,1209 0.095,1210 6.75,1211 3.409,1212 5.585,1213 0.127,1214 0.052,1215 5.609,1216 2.289,1217 4.136,1218 0.083,1219 0.028,1220 4.059,1221 1.396,1222 0.455,1223 65.297,1224 0.268,1225 20.768,1226 0.837,1227 104,1228 372.028,1229 129.395,1230 366.632,1231 471.12,1232 338,1233 118,1234 307.551,1235 136.589,1236 316.87,1237 455.97,1238 297,1239 5.886}
{0 CHEMBL609586,1 1.857,2 9.333,3 3.338,4 11.144,5 96.5,6 8.999,7 0.44,8 3.838,9 3.926,10 3.746,11 3.508,12 4.922,13 3.409,14 4.387,15 4.531,16 4.144,17 3.903,18 5.693,19 3.796,20 4.644,21 4.784,22 4.109,23 4.029,24 5.856,25 3.905,26 4.838,27 5.082,28 4.034,29 3.994,30 6.009,31 3.875,32 4.698,33 4.894,34 3.864,35 3.913,36 5.929,37 3.799,38 4.697,39 4.939,40 3.959,41 3.943,42 5.693,43 3.758,44 4.56,45 4.772,46 4.01,47 3.866,48 5.901,49 3.674,50 4.287,51 4.428,52 3.657,53 3.681,54 5.432,55 3.461,56 0.091,57 0.618,58 9.379,59 4.772,60 16.243,61 5.145,62 0.337,63 1.014,64 23.634,65 8.641,66 59.423,67 9.38,68 0.406,69 1.21,70 27.056,71 10.329,72 65.318,73 11.186,74 0.581,75 1.39,76 38.908,77 12.411,78 79.856,79 15.339,80 0.627,81 1.276,82 25.394,83 9.131,84 84.877,85 10.416,86 0.439,87 1.24,88 31.269,89 11.149,90 68.108,91 13.376,92 0.659,93 1.117,94 39.708,95 11.327,96 108.36,97 11.747,98 0.388,99 0.755,100 29.378,101 8.425,102 60.214,103 8.606,104 69,105 38,106 0.325,107 0.647,108 0.738,109 0.754,110 0.754,111 0.754,112 3.228,113 1.235,114 -4.35,115 -4.28,116 -4.04,118 37.2,119 3,121 1,122 1,123 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,156 1,157 2,159 2,161 2,162 15,166 4,170 2,171 11,174 3,175 7,179 5,181 10,185 4,186 2,188 2,190 9,194 5,198 6,200 2,201 5,205 1,207 5,211 4,219 11,221 1,224 822,225 14.668,226 14.668,227 14.668,228 14.668,229 14.668,230 12.891,231 16.027,232 8.24,233 15.338,234 12.323,235 12.323,236 12.323,237 12.323,238 12.323,239 9.587,240 20.274,241 3.913,242 13.547,243 3.569,244 1.732,245 1.21,246 1.117,247 1.117,248 1.117,249 3.874,250 1,252 1,253 1,254 454,255 4.583,258 78.57,259 91.313,261 1.389,262 35.678,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 52.333,274 224,275 4.811,276 5.181,277 7.378,278 4.432,279 3.431,280 4.673,281 2.95,282 12.793,283 3.433,284 4.51,285 3.904,286 7.118,287 4.161,288 3.326,289 3.805,290 1.987,291 11.699,292 2.745,293 3.928,294 3.119,295 5.736,296 3.539,297 2.581,298 3.474,299 0.324,300 7.788,301 2.495,302 3.899,303 2.917,304 5.472,305 3.417,306 2.518,307 3.292,309 7.273,310 2.266,311 3.485,312 2.762,313 5.096,314 3.097,315 2.175,316 2.643,318 6.105,319 1.938,320 3.262,321 2.406,322 4.827,323 2.791,324 1.842,325 2.481,326 5.251,327 1.663,328 2.777,329 2.247,330 4.391,331 2.229,332 1.319,333 1.839,334 3.942,335 1.177,336 2.5,337 1.065,338 3.61,339 2,340 1,341 1.5,342 2.275,343 1,344 2.181,345 1,346 3.414,347 1.519,348 0.689,349 1.021,350 1.693,351 0.562,352 1.645,353 0.97,354 3.275,355 1.349,356 0.392,357 0.46,358 1.106,359 0.353,360 1,361 0.518,362 2.756,363 0.574,364 -0.315,365 -0.379,366 -0.794,367 -0.228,368 0.997,369 0.385,370 2.539,371 0.438,372 -0.501,373 -0.666,374 -1.235,375 -0.443,376 0.904,377 0.147,378 2.428,380 -1,381 -1,383 -3,384 -0.775,385 0.5,386 -0.244,387 2,389 -1,390 -1,392 -3,393 -1,394 0.346,395 -0.717,396 2,398 -1,399 -1.187,401 -3,402 -1,403 12.181,404 0.508,405 1.105,406 0.046,407 29.5,408 1.229,409 15,410 0.625,411 14.5,412 0.604,413 24.005,414 1,415 26.819,416 0.624,417 21.217,418 0.884,419 5.083,420 0.212,421 5.898,422 0.246,423 0.305,424 0.109,425 0.246,429 0.503,430 1.221,431 0.727,432 1.047,433 0.638,434 0.93,435 0.514,436 0.998,437 0.698,438 0.894,439 0.512,440 0.791,441 1.107,442 1.3,443 1.044,444 1.198,445 1.169,446 1.249,447 0.626,448 0.969,449 0.622,450 0.815,451 0.642,452 0.814,453 1.272,454 0.958,455 0.814,456 0.786,457 1.246,458 1.043,459 0.732,460 0.933,461 0.694,462 0.769,463 0.715,464 0.901,465 0.636,466 0.939,467 1.351,468 1.23,469 0.394,470 0.934,471 1.566,472 1.069,473 2.05,474 1.448,475 1.351,476 1.514,477 8.5,478 0.082,479 3.556,480 2.75,481 1.717,482 0.955,483 0.818,484 0.357,485 0.449,486 0.137,487 5402,488 20323,489 1.861,490 44.2,491 9,492 7,494 1,495 1,496 1,499 1.672,500 1.655,501 3.141,502 -0.219,503 1,504 1,507 79.864,508 1.857,509 3.694,510 4.216,511 4.309,512 4.309,513 4.309,514 2.62,515 3.855,516 4.557,517 3.352,518 925.16,519 7.881,520 10804.6,522 1,524 1,525 233.329,526 1.855,527 4.433,528 0.34,529 0.009,530 0.094,531 0.079,532 0.046,533 0.032,534 0.029,535 0.013,536 0.025,537 0.007,538 0.673,539 0.17,540 1,541 1.018,542 113.258,543 0.057,544 -0.045,545 0.12,546 0.007,547 -0.127,548 0.035,549 0.239,550 0.087,551 0.188,552 0.124,553 0.24,554 0.183,555 -0.157,556 -0.283,557 -0.179,558 -0.252,559 -0.174,560 -0.309,561 0.181,562 -0.054,563 0.153,564 0.026,565 0.14,566 0.165,567 -0.224,568 0.082,569 -0.166,570 -0.014,571 -0.194,572 -0.179,573 -0.005,574 0.012,575 0.137,576 0.123,577 -0.053,578 0.092,579 0.234,580 0.146,581 -0.056,582 -0.015,583 0.343,584 0.105,585 -0.398,586 -0.119,587 -0.56,588 -0.317,589 -0.326,590 -0.498,591 4.25,592 5.777,593 0.458,594 18.25,595 1.014,596 1.12,597 3.116,598 9.708,599 0.707,600 3.258,601 3.664,602 3.784,603 4.007,604 4.043,605 4.094,606 4.127,607 4.025,608 4.043,609 3.829,610 5.673,611 0.654,612 386.96,613 3.258,614 4.844,615 5.666,616 6.578,617 7.422,618 8.331,619 9.185,620 10.09,621 10.95,622 11.853,623 4.7,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 43,650 14,651 1,652 25,654 44,655 16,656 9,657 2,658 4,660 2,661 2,662 1,663 3,664 1,671 10,672 6,673 1,674 3,676 1,677 3,680 1,681 1,682 1,684 19,685 5,686 1,687 8,688 3,691 2,692 1,693 3,703 1,704 1,709 1,717 2,719 2,721 4,722 1,724 24,726 1,730 1,733 1,735 1,737 1,740 1,741 7,744 3,747 14.5,748 8.926,749 4.972,750 2.305,751 1.918,752 1.299,753 0.929,754 5.605,755 8.343,756 3.541,757 4.186,758 4.555,759 5.075,760 5.381,761 5.547,762 5.666,763 5.716,764 5.768,765 5.981,766 1,767 35,768 9.076,770 4.07,771 8.095,772 16.617,774 13.744,776 2.595,777 62.278,780 1,781 211.88,782 129.834,783 34.796,784 39.149,785 69.458,787 37.324,788 92.51,789 320.486,790 34.796,791 33.666,792 18.011,793 43.951,794 102.719,795 16.234,797 231.386,798 39.149,799 211.88,800 127.306,801 69.458,802 76.472,804 211.88,805 69.458,807 54.035,808 56.486,809 61.98,810 31.278,811 211.88,812 104.254,813 168.982,814 6.046,815 211.88,816 43.169,817 80.618,818 18.011,819 125.392,820 211.88,821 104.254,822 168.982,823 0.614,824 0.321,825 0.159,826 0.078,827 18,828 10,829 0.114,830 5,832 1,833 3.351,834 188.786,836 11,837 99.284,838 1,839 1,840 19.198,841 7.007,842 4.937,844 104.254,845 8.384,846 3.981,849 0.942,850 1.828,851 18.011,852 485.116,853 33.5,855 -3.333,856 35.824,859 -0.237,860 43.614,861 48.146,862 0.342,863 0.681,864 0.777,865 0.794,866 0.794,867 0.794,868 4.826,869 1,870 5.778,871 3.942,872 4.344,873 4.871,874 3.234,875 6.686,876 4.182,877 6.118,878 0.689,879 7.422,880 2.275,881 4.443,882 5.13,883 1.593,884 8.109,885 4.197,886 7.503,887 0.392,888 9.186,889 1.693,890 6.142,891 7.185,892 5.157,893 11.08,894 5.853,895 8.921,896 -0.315,897 11.018,898 1.106,899 6.938,900 8.165,901 3.168,902 13.228,903 6.589,904 10.368,905 -0.501,906 12.893,907 -0.794,908 8.282,909 9.842,910 7.239,911 15.877,912 7.905,913 11.835,914 -1,915 14.797,916 -1.235,917 9.335,918 11.121,919 4.654,920 18.271,921 8.923,922 13.318,923 -1,924 16.723,925 -3,926 10.581,927 12.684,928 9.371,929 20.832,930 10.151,931 3.431,932 -1,933 18.663,934 -3,935 11.732,936 14.097,937 6.091,938 23.311,939 11.286,940 3.326,941 12.793,942 20.614,943 -3,944 12.952,945 15.629,946 11.521,947 25.847,948 12.498,949 2.581,950 11.699,951 22.574,952 4.673,953 14.142,954 17.105,955 7.5,956 28.356,957 13.684,958 2.518,959 7.788,960 24.54,961 3.805,962 15.358,963 18.631,964 13.679,965 30.886,966 14.898,967 2.175,968 7.273,969 26.511,970 3.474,971 16.565,972 20.137,973 8.894,974 33.408,975 16.107,976 1.842,977 6.105,978 28.486,979 3.292,980 17.781,981 21.665,982 15.84,983 35.938,984 17.327,985 1.319,986 5.251,987 30.463,988 2.643,989 18.995,990 23.187,991 10.279,992 38.466,993 18.547,994 5600,995 11046,996 14.909,997 30.381,998 39.196,999 41.597,1000 39.834,1001 38.67,1002 38.548,1003 50.378,1004 10.522,1005 119.848,1006 35.263,1007 5.705,1008 7.181,1009 6.792,1010 5.597,1011 5.431,1012 7.673,1013 5.9,1014 20.421,1015 5.433,1016 17.133,1017 1.568,1018 1.664,1019 1.593,1020 1.547,1021 1.542,1022 2.015,1023 0.421,1024 4.794,1025 1.411,1026 4.061,1027 4.04,1028 4.784,1029 4.105,1030 7.716,1031 3.964,1032 3.962,1033 3.963,1034 4.05,1035 3.913,1036 7.428,1037 3.893,1038 3.706,1039 3.747,1040 3.995,1041 3.612,1042 6.999,1043 3.596,1044 3.57,1045 3.591,1046 3.688,1047 3.488,1048 4.939,1049 3.401,1050 3.261,1051 3.293,1052 3.282,1053 3.072,1054 4.809,1055 3.076,1056 2.874,1057 3.009,1058 3.153,1059 2.735,1060 4.386,1061 2.716,1062 2.874,1063 3.009,1064 2.687,1065 2.714,1066 4.199,1067 2.715,1068 2.854,1069 2.925,1070 2.598,1071 2.618,1072 3.757,1073 2.57,1074 0.192,1075 0.207,1076 0.295,1077 0.177,1078 0.137,1079 4.811,1080 0.187,1081 5.181,1082 0.118,1083 7.378,1084 0.512,1085 4.432,1086 0.137,1087 3.431,1088 4.673,1089 2.95,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.786,1099 1.847,1100 1.898,1101 1.838,1102 1.08,1103 1.935,1104 1.708,1105 1.664,1106 1.633,1107 1.834,1108 1.021,1109 1.863,1110 1.378,1111 1.334,1112 1.472,1113 1.635,1114 0.561,1115 1.606,1116 1.114,1117 1.057,1118 1.417,1119 1.338,1120 0.469,1121 1.343,1122 1.015,1123 1.002,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.329,1131 1.239,1132 0.437,1133 1.308,1134 0.934,1135 0.804,1136 1.181,1137 1.114,1138 0.294,1139 1.172,1140 3.932,1142 5.313,1143 2.398,1144 6.851,1145 4.595,1146 8.462,1147 6.605,1148 10.113,1150 7.013,1151 5.92,1156 2.725,1159 -0.43,1161 -0.338,1164 28.13,1165 79.864,1166 158.859,1167 181.29,1168 185.29,1169 185.29,1170 185.29,1171 75.391,1172 6.425,1173 76.13,1174 112.75,1175 11,1176 12.381,1177 3.907,1178 3.248,1179 48.287,1180 80,1181 80,1182 0.297,1183 188.069,1184 323.6,1185 450.648,1186 4103,1187 2.3,1188 18.121,1189 0.755,1190 0.676,1191 19.225,1192 16.219,1193 10.981,1194 0.439,1195 0.412,1196 7.399,1197 9.258,1198 6.73,1199 5.681,1200 12.572,1201 10.291,1202 11.867,1203 0.312,1204 0.271,1205 14.366,1206 10.306,1207 7.653,1208 0.178,1209 0.148,1210 9.77,1211 6.366,1212 6.418,1213 0.119,1214 0.077,1215 8.026,1216 4.131,1217 4.238,1218 0.076,1219 0.045,1220 5.684,1221 2.546,1222 0.457,1223 84.528,1224 0.259,1225 23.166,1226 0.84,1227 126,1228 409.109,1229 216.839,1230 466.643,1231 601.8,1232 424,1233 144,1234 362.685,1235 226.463,1236 429.058,1237 615.46,1238 395,1239 5.469}
{0 CHEMBL609852,1 1.658,2 9.304,3 5.11,4 26.111,5 94.973,6 8.622,7 0.64,8 3.774,9 3.876,10 3.519,11 3.46,12 4.879,13 3.389,14 4.283,15 4.428,16 3.947,17 3.853,18 5.362,19 3.756,20 4.538,21 4.723,22 3.927,23 3.956,24 5.581,25 3.827,26 4.608,27 4.826,28 3.885,29 3.887,30 5.717,31 3.762,32 4.533,33 4.732,34 3.711,35 3.783,36 5.694,37 3.673,38 4.523,39 4.763,40 3.774,41 3.812,42 5.521,43 3.643,44 4.376,45 4.58,46 3.789,47 3.733,48 5.528,49 3.568,50 4.124,51 4.286,52 3.353,53 3.586,54 5.142,55 3.416,56 0.009,57 0.531,58 6.909,59 3.649,60 5.333,61 4.565,62 0.123,63 0.898,64 14.747,65 6.441,66 18.489,67 8.258,68 0.146,69 1.103,70 24.204,71 9.093,72 31.553,73 10.891,74 0.239,75 1.183,76 28.107,77 9.885,78 41.453,79 11.904,80 0.3,81 1.126,82 22.234,83 7.949,84 53.434,85 8.765,86 0.186,87 1.084,88 25.965,89 9.398,90 35.1,91 11.444,92 0.347,93 0.954,94 30.365,95 9.018,96 46.989,97 9.469,98 0.181,99 0.657,100 21.765,101 6.449,102 25.747,103 7.561,104 18,105 35,106 0.292,107 0.612,108 0.729,109 0.817,110 0.826,111 0.826,112 3.188,113 1.039,114 -5.72,115 -5.59,116 -5.21,118 45,119 2,121 2,131 8,132 1,133 1,135 1,140 1,142 1,146 1,154 11,157 3,159 2,161 2,162 15,166 4,170 2,171 13,174 1,175 7,179 6,181 9,185 4,188 4,190 7,194 6,198 7,201 5,205 1,207 10,215 12,219 1,221 13,224 722,225 15.292,226 15.292,227 15.292,228 15.292,229 15.292,230 13.274,231 12.875,232 8.991,233 15.706,234 12.339,235 12.339,236 12.339,237 12.339,238 12.339,239 9.324,240 16.869,241 4.265,242 13.108,243 3.664,244 1.85,245 1.188,246 0.688,247 0.638,248 0.638,249 3.865,250 1,253 1,254 459,255 3.536,258 51.357,259 148.342,260 100.72,261 1.388,262 19.156,265 0.75,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.86,273 48.333,274 214,275 4.466,276 3.819,277 6.686,278 4.093,279 3.101,280 4.402,281 1.987,282 10.666,283 3.088,284 4.272,285 3.018,286 6.243,287 3.884,288 2.963,289 3.732,290 0.324,291 9.475,292 2.72,293 3.815,294 2.946,295 5.323,296 3.369,297 2.435,298 3.18,300 6.738,301 2.263,302 3.502,303 2.719,304 5.129,305 3.098,306 2.179,307 2.828,309 6.211,310 1.989,311 3.195,312 2.164,313 4.789,314 2.762,315 1.815,316 2.418,318 5.099,319 1.657,320 3.032,321 1.934,322 4.525,323 2.66,324 1.674,325 2.298,326 4.312,327 1.605,328 2.94,329 1.532,330 4.414,331 2.461,332 1.532,333 2.031,334 4.243,335 1.404,336 2.804,337 1.395,338 3.604,339 2.316,340 1.339,341 1.871,342 2.934,343 1.295,344 2.5,345 1,346 3.414,347 2,348 1,349 1.5,350 2.275,351 1,352 1.847,353 0.924,354 3.191,355 1.291,356 0.347,357 0.521,358 0.86,359 0.307,360 1.545,361 0.458,362 3,363 1.239,364 0.333,365 0.381,366 0.85,367 0.296,368 1.077,369 0.347,370 2.602,371 0.647,372 -0.274,373 -0.336,374 -0.694,375 -0.212,376 0.885,377 0.168,378 2,379 0.437,380 -0.479,381 -0.624,383 -1.131,384 -0.406,385 0.635,386 -0.63,387 2,388 0.128,389 -0.855,390 -1,392 -2,393 -0.819,394 0.5,395 -0.839,396 2,398 -1,399 -1.264,401 -2.071,402 -0.917,403 11.681,404 0.508,405 0.63,406 0.027,407 30,408 1.304,409 16,410 0.696,411 14,412 0.609,413 19.694,414 0.856,415 23.719,416 0.593,417 19.296,418 0.839,419 5.496,420 0.239,421 5.546,422 0.241,423 0.175,425 0.342,429 0.625,430 1.05,431 0.63,432 0.805,433 0.585,434 0.827,435 0.451,436 1.076,437 0.664,438 0.917,439 0.527,440 0.892,441 1.066,442 1.108,443 0.998,444 1.032,445 1.087,446 1.016,447 0.99,448 1.105,449 0.859,450 1.019,451 1.047,452 0.948,453 1.926,454 1.043,455 0.942,456 0.916,457 2.242,458 1.021,459 1.004,460 0.933,461 0.841,462 0.864,463 1.019,464 0.882,465 1.229,466 0.92,467 1.529,468 1.293,469 1.118,470 0.954,471 1.504,472 0.947,473 1.91,474 1.353,475 1.214,476 1.342,477 5,478 0.068,479 2.444,480 2.292,481 1.084,482 0.809,483 0.562,484 0.379,485 0.214,486 0.085,487 5498,488 16252,489 2.041,490 42.5,491 7,492 8,495 1,496 1,499 1.659,500 1.89,501 3.194,502 -0.326,507 66.332,508 1.658,509 3.472,510 4.134,511 4.634,512 4.684,513 4.684,514 2.674,515 3.915,516 4.497,517 3.343,518 845.702,519 7.75,520 9571.67,525 212.877,526 1.478,527 4.443,528 0.2,529 0.009,530 0.07,531 0.067,532 0.034,533 0.03,534 0.022,535 0.015,536 0.011,537 0.005,538 0.463,539 0.33,540 0.88,541 0.832,542 107.137,543 -0.03,544 -0.005,545 0.033,546 0.052,547 -0.064,548 0.039,549 0.237,550 -0.05,551 0.127,552 0.009,553 0.096,554 0.025,555 -0.097,556 -0.113,557 -0.071,558 -0.069,559 -0.089,560 -0.067,561 0.09,562 -0.114,563 0.04,564 -0.056,565 0.143,566 0.018,567 -0.378,568 0.026,569 -0.182,570 -0.03,571 -0.346,572 -0.148,573 -0.035,574 0.049,575 0.109,576 0.137,577 -0.009,578 0.12,579 0.035,580 0.159,581 -0.13,582 -0.05,583 0.122,584 0.059,585 -0.381,586 -0.033,587 -0.56,588 -0.331,589 -0.282,590 -0.362,591 1.707,592 5.739,593 0.652,594 17.138,595 1,596 1.11,597 4.493,598 20.188,599 0.727,600 3.258,601 3.584,602 3.829,603 4.094,604 4.205,605 4.22,606 4.331,607 4.331,608 4.234,609 4.205,610 5.589,611 0.675,612 344.89,613 3.258,614 4.796,615 5.638,616 6.518,617 7.376,618 8.259,619 9.123,620 10.006,621 10.874,622 11.757,623 5,628 1,631 1,632 2,633 8,634 1,637 1,638 3,639 16,648 1,649 40,650 17,651 2,652 25,654 42,655 18,656 13,657 4,658 8,660 3,661 4,662 1,663 2,671 14,672 4,673 2,674 1,677 1,680 1,684 17,685 3,686 1,687 5,688 2,691 2,692 0.667,693 1,703 1,704 2,705 1,709 1,717 2,719 1,721 2,722 1,724 23,730 1,733 2,737 1,740 1,741 2.5,744 1,747 12.167,748 7.76,749 5.028,750 2.448,751 2.861,752 1.422,753 0.98,754 4.859,755 9.638,756 3.555,757 4.171,758 4.737,759 5.348,760 5.799,761 5.99,762 6.354,763 6.619,764 6.441,765 6.745,766 1,767 34,768 8.504,770 3.608,771 7.722,772 16.27,774 13.396,776 2.222,777 51.111,780 1,781 188.338,782 139.52,783 34.796,784 39.149,785 25.145,787 31.278,788 108.242,789 252.631,790 34.796,791 17.65,792 18.011,793 75.81,794 46.635,795 9.331,796 0.746,797 219.615,798 39.149,799 188.338,800 143.038,801 25.145,802 70.426,804 188.338,805 25.145,807 38.306,808 87.947,809 55.934,810 31.278,811 188.338,812 59.941,813 178.668,815 188.338,816 46.059,817 93.46,818 18.011,819 81.079,820 188.338,821 59.941,822 178.668,823 0.585,824 0.337,825 0.187,826 0.094,827 17,828 8,829 0.095,830 4,831 1,832 1.133,833 3.49,834 181.47,835 0.133,836 15,837 98.042,838 1,840 16.255,841 6.876,842 3.663,843 1.968,844 59.941,845 15.307,846 4.468,849 1.488,850 2.265,851 18.011,852 426.947,853 34,856 12.739,859 -0.04,860 40,861 44.392,862 0.312,863 0.652,864 0.777,865 0.871,866 0.88,867 0.88,868 4.779,869 1.339,870 5.631,871 4.243,872 4.263,873 4.856,874 2.076,875 6.438,876 4.154,877 5.994,878 1,879 7.189,880 2.934,881 3.892,882 4.663,883 1.593,884 7.341,885 3.711,886 7.299,887 0.347,888 8.847,889 2.275,890 5.849,891 7.067,892 3.1,893 10.434,894 5.658,895 8.639,896 0.333,897 10.563,898 0.86,899 6.275,900 7.69,901 3.168,902 12.19,903 6.033,904 10.008,905 -0.274,906 12.318,907 0.85,908 7.729,909 9.583,910 4.312,911 14.795,912 7.48,913 11.4,914 -0.479,915 14.101,916 -0.694,917 8.525,918 10.618,919 4.654,920 16.903,921 8.246,922 12.81,923 -0.855,924 15.906,925 -1.131,926 9.776,927 12.282,928 5.601,929 19.339,930 9.489,931 3.101,932 -1,933 17.727,934 -2,935 10.746,936 13.533,937 6.091,938 21.59,939 10.44,940 2.963,941 10.666,942 19.561,943 -2.071,944 11.912,945 15.09,946 6.927,947 23.967,948 11.599,949 2.435,950 9.475,951 21.406,952 4.402,953 12.962,954 16.452,955 7.5,956 26.275,957 12.636,958 2.179,959 6.738,960 23.259,961 3.732,962 14.095,963 17.961,964 8.273,965 28.632,966 13.764,967 1.815,968 6.211,969 25.118,970 3.18,971 15.18,972 19.379,973 8.894,974 30.965,975 14.842,976 1.674,977 5.099,978 26.983,979 2.828,980 16.302,981 20.867,982 9.631,983 33.318,984 15.959,985 1.532,986 4.312,987 28.852,988 2.418,989 17.403,990 22.314,991 10.279,992 35.662,993 17.056,994 5361,995 9341,996 16.414,997 29.063,998 37.916,999 38.635,1000 39.039,1001 37.577,1002 37.437,1003 50.323,1004 4.622,1005 107.327,1006 35.248,1007 5.354,1008 5.819,1009 6.369,1010 5.215,1011 5.101,1012 7.402,1013 3.497,1014 17.431,1015 5.088,1016 11.7,1017 1.517,1018 1.545,1019 1.562,1020 1.503,1021 1.497,1022 2.013,1023 0.185,1024 4.293,1025 1.41,1026 4.059,1027 4.077,1028 4.318,1029 4.042,1030 7.428,1031 3.999,1032 3.947,1033 3.971,1034 4.007,1035 3.898,1036 4.978,1037 3.888,1038 3.655,1039 3.701,1040 3.661,1041 3.543,1042 4.933,1043 3.533,1044 3.424,1045 3.479,1046 3.466,1047 3.313,1048 4.369,1049 3.271,1050 3.168,1051 3.199,1052 3.222,1053 3.026,1054 4.32,1055 3.014,1056 2.884,1057 3.009,1058 3.131,1059 2.792,1060 4.123,1061 2.769,1062 2.874,1063 2.94,1064 2.849,1065 2.735,1066 3.743,1067 2.715,1068 2.854,1069 2.925,1070 2.687,1071 2.704,1072 3.674,1073 2.706,1074 0.179,1075 0.153,1076 0.267,1077 0.164,1078 0.124,1079 4.466,1080 0.176,1081 3.819,1082 0.079,1083 6.686,1084 0.427,1085 4.093,1086 0.124,1087 3.101,1088 4.402,1089 1.987,1090 10.666,1091 3.088,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.898,1099 1.88,1100 1.98,1101 1.963,1102 1.1,1103 1.979,1104 1.657,1105 1.61,1106 1.868,1107 1.8,1108 0.999,1109 1.828,1110 1.385,1111 1.351,1112 1.459,1113 1.612,1114 0.566,1115 1.598,1116 1.084,1117 1.057,1118 1.417,1119 1.246,1120 0.469,1121 1.308,1122 0.934,1123 0.884,1124 1.214,1125 1.239,1126 0.405,1127 1.257,1128 0.917,1129 0.821,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.886,1135 0.804,1136 1.054,1137 1.005,1138 0.183,1139 1.051,1140 3.932,1142 5.252,1143 2.398,1144 6.758,1145 4.727,1146 8.348,1147 6.823,1148 9.981,1150 4.078,1151 5.942,1156 2.961,1159 -0.065,1164 26.987,1165 66.332,1166 138.877,1167 165.367,1168 185.367,1169 187.367,1170 187.367,1171 39.873,1172 6.777,1173 41.99,1174 70.23,1175 17,1176 12.294,1177 4.17,1178 3.322,1179 36.781,1180 76,1181 76,1182 0.235,1183 174.882,1184 293.57,1185 418.472,1186 7083,1187 2.5,1188 16.397,1189 0.713,1190 0.63,1191 17.251,1192 14.488,1193 11.042,1194 0.442,1195 0.346,1196 7.519,1197 10.102,1198 7.151,1199 5.985,1200 11.739,1201 8.657,1202 10.196,1203 0.291,1204 0.206,1205 11.273,1206 7.216,1207 8.075,1208 0.179,1209 0.109,1210 9.118,1211 4.906,1212 7.07,1213 0.12,1214 0.061,1215 8.12,1216 3.613,1217 5.092,1218 0.077,1219 0.034,1220 6.031,1221 2.262,1222 0.364,1223 74.902,1224 0.247,1225 22.471,1226 0.66,1227 120,1228 328.777,1229 168.632,1230 376.133,1231 504.71,1232 350,1233 140,1234 332.312,1235 177.907,1236 365.208,1237 534.62,1238 344,1239 5.523}
{0 CHEMBL609861,1 2.002,2 9.348,3 4.715,4 22.234,5 84.868,6 9.806,7 0.458,8 3.716,9 3.812,10 3.533,11 3.319,12 4.945,13 3.288,14 4.27,15 4.412,16 4.05,17 3.697,18 6.015,19 3.653,20 4.453,21 4.616,22 4.043,23 3.782,24 5.735,25 3.715,26 4.584,27 4.8,28 3.938,29 3.73,30 5.986,31 3.682,32 4.484,33 4.679,34 3.747,35 3.693,36 5.802,37 3.608,38 4.508,39 4.745,40 3.784,41 3.722,42 5.633,43 3.578,44 4.342,45 4.537,46 3.874,47 3.601,48 5.972,49 3.469,50 4.07,51 4.236,52 3.396,53 3.331,54 5.369,55 3.221,56 0.183,57 0.74,58 4.286,59 3.684,60 31.528,61 3.704,62 0.86,63 1.496,64 12.639,65 6.421,66 148.724,67 6.764,68 0.556,69 1.324,70 23.082,71 8.784,72 79.387,73 8.787,74 0.9,75 1.298,76 24.89,77 8.564,78 121.589,79 9.946,80 0.79,81 1.064,82 17.959,83 7.202,84 93.732,85 7.957,86 0.754,87 1.105,88 25.718,89 9.132,90 114.464,91 10.394,92 0.898,93 0.963,94 29.821,95 8.372,96 158.461,97 8.438,98 0.54,99 0.892,100 21.124,101 6.213,102 80.754,103 5.906,104 54,105 35,106 0.366,107 0.703,108 0.782,109 0.802,110 0.802,111 0.802,112 3.188,113 0.996,114 -5.41,115 -5.29,116 -4.94,118 40.5,119 2,121 2,127 1,131 4,132 1,133 1,134 1,140 1,142 1,146 1,154 8,157 2,159 2,161 2,162 12,166 2,170 2,171 10,174 1,175 6,179 4,181 8,185 4,188 2,190 7,194 4,198 5,201 3,205 1,207 4,219 1,221 1,224 735,225 14.403,226 14.403,227 14.403,228 14.403,229 14.403,230 12.965,231 17.329,232 8.217,233 15.07,234 11.809,235 11.809,236 11.809,237 11.809,238 11.809,239 9.62,240 22.94,241 3.871,242 13.075,243 3.207,244 1.361,245 0.926,246 0.818,247 0.818,248 0.818,249 3.836,250 1,253 1,254 437,255 4.243,258 74.487,259 86.884,261 1.437,262 43.004,264 1,265 0.75,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.86,273 52.833,274 215,275 4.473,276 4.461,277 7.118,278 4.156,279 3.328,280 3.92,281 3.825,282 11.699,283 3.087,284 4.28,285 3.818,286 6.685,287 4.083,288 3.086,289 3.728,290 1.987,291 10.661,292 2.722,293 3.859,294 2.972,295 5.483,296 3.413,297 2.521,298 3.191,299 0.324,300 7.36,301 2.277,302 3.701,303 2.762,304 5.194,305 3.265,306 2.38,307 2.973,309 6.381,310 2.065,311 3.246,312 2.576,313 4.829,314 2.785,315 1.844,316 2.455,318 5.271,319 1.716,320 2.948,321 1.935,322 4.633,323 2.756,324 1.779,325 1.977,326 4.603,327 1.637,328 2.65,329 1.726,330 4.33,331 2.188,332 1.3,333 1.672,334 3.745,335 1.124,336 2.5,337 1,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 2.167,345 0.925,346 3.293,347 1.514,348 0.688,349 1.01,350 1.682,351 0.559,352 1.543,353 0.749,354 3.171,355 1.276,356 0.321,357 0.369,358 0.815,359 0.286,360 0.992,361 0.51,362 2.697,363 0.575,364 -0.319,365 -0.382,366 -0.799,367 -0.235,368 0.883,369 0.51,370 2.428,371 0.431,372 -0.509,373 -0.671,374 -1.228,375 -0.451,376 0.5,377 0.425,378 2,380 -1,381 -1,383 -2,384 -0.7,385 0.094,386 0.148,387 2,389 -1,390 -1,392 -3,393 -0.7,395 -0.643,396 2,397 -0.3,398 -1,399 -1,401 -3,402 -1,403 11.038,404 0.48,405 0.905,406 0.039,407 26.25,408 1.141,409 12,410 0.522,411 14.25,412 0.62,413 21.356,414 0.929,415 26.162,416 0.707,417 19.917,418 0.866,419 4.968,420 0.216,421 5.712,422 0.248,423 0.263,424 0.045,425 0.317,426 3,429 0.567,430 0.936,431 0.588,432 0.868,433 0.591,434 0.867,435 0.363,436 0.712,437 0.597,438 0.862,439 0.372,440 0.864,441 0.64,442 1.001,443 0.933,444 1.275,445 0.652,446 1.144,447 0.695,448 0.739,449 0.681,450 0.837,451 0.737,452 0.918,453 0.676,454 0.497,455 0.775,456 0.806,457 0.772,458 1.064,459 0.666,460 0.692,461 0.841,462 0.848,463 0.668,464 0.955,465 0.474,466 0.749,467 1.43,468 1.309,469 0.352,470 1.03,471 1.243,472 1.199,473 1.975,474 1.515,475 1.12,476 1.516,477 7,478 0.082,479 3.111,480 2.25,481 1.477,482 0.816,483 0.67,484 0.316,485 0.375,486 0.137,487 4975,488 22714,489 1.888,490 37.8,491 7,492 4,494 1,495 1,496 1,499 1.659,500 1.693,501 3.173,502 -0.198,507 74.089,508 2.002,509 3.848,510 4.283,511 4.391,512 4.391,513 4.391,514 2.653,515 3.969,516 4.496,517 3.363,518 850.799,519 7.749,520 9709.66,522 1,525 192.75,526 1.771,527 4.392,528 0.292,529 0.009,530 0.089,531 0.068,532 0.045,533 0.03,534 0.027,535 0.013,536 0.022,537 0.008,538 0.602,539 0.33,540 1,541 1.025,542 107.453,543 -0.036,544 -0.035,545 0.015,546 0.039,547 -0.08,548 0.024,549 0.44,550 0.295,551 0.185,552 0.103,553 0.427,554 0.065,555 0.01,556 -0.238,557 0.013,558 -0.267,559 -0.008,560 -0.141,561 0.087,562 0.014,563 0.113,564 -0.006,565 0.051,566 0.069,567 -0.023,568 0.119,569 -0.085,570 0.008,571 -0.075,572 -0.132,573 -0.018,574 -0.029,575 0.107,576 0.116,577 -0.036,578 0.122,579 0.276,580 0.027,581 -0.083,582 -0.071,583 0.358,584 0.046,585 -0.265,586 -0.211,587 -0.62,588 -0.444,589 -0.238,590 -0.506,591 5.714,592 5.44,593 0.478,594 17.781,595 1.042,596 1.146,597 4.176,598 17.439,599 0.699,600 3.219,601 3.584,602 3.738,603 3.932,604 3.989,605 4.025,606 4.025,607 3.932,608 3.932,609 3.761,610 5.676,611 0.679,612 362.83,613 3.219,614 4.779,615 5.602,616 6.491,617 7.335,618 8.221,619 9.074,620 9.958,621 10.815,622 11.697,623 5.4,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 37,650 12,651 1,652 24,654 38,655 15,656 9,657 2,658 4,660 2,661 2,662 1,663 3,668 1,671 10,672 5,673 2,674 1,677 1,680 1,683 3,684 14,685 6,686 1,687 8,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,723 3,724 23,730 1,733 2,735 1,737 1,740 4,741 2.7,744 1,747 13.583,748 7.188,749 4.917,750 2.155,751 1.772,752 1.279,753 0.941,754 5.561,755 8.133,756 3.45,757 4.021,758 4.467,759 4.976,760 5.266,761 5.371,762 5.511,763 5.522,764 5.558,765 5.784,766 1,767 33,768 8.965,770 4.275,771 8.487,772 15.329,774 12.351,776 2.987,777 68.694,781 153.024,782 116.89,783 34.796,784 39.149,785 25.145,786 44.88,787 31.278,788 85.612,789 217.318,790 79.677,791 17.65,792 18.011,793 37.905,794 58.406,795 61.115,796 1.358,797 172.531,798 46.908,799 153.024,800 120.409,801 70.025,802 70.426,804 153.024,805 70.025,807 52.969,808 50.654,809 55.934,810 31.278,811 197.905,812 59.941,813 156.039,815 160.784,816 44.528,817 64.603,818 18.011,819 125.959,820 153.024,821 104.822,822 156.039,823 0.602,824 0.327,825 0.163,826 0.08,827 16,828 9,829 0.105,830 4,832 1,833 3.334,834 174.776,836 11,837 93.287,838 1,840 18.059,841 7.083,842 4.6,844 104.822,845 7.521,846 3.618,849 0.406,850 0.378,851 18.011,852 413.885,853 30.5,856 12.44,859 -0.398,860 38.538,861 42.411,862 0.384,863 0.739,864 0.822,865 0.843,866 0.843,867 0.843,868 4.716,869 1,870 5.666,871 3.745,872 4.263,873 4.705,874 3.326,875 6.524,876 4.079,877 5.954,878 0.688,879 7.276,880 2.275,881 4.205,882 4.635,883 3.979,884 7.763,885 3.836,886 7.28,887 0.321,888 8.997,889 1.682,890 5.969,891 6.823,892 5.51,893 10.739,894 5.607,895 8.639,896 -0.319,897 10.783,898 0.815,899 6.648,900 7.461,901 6.718,902 12.749,903 6.11,904 10.024,905 -0.509,906 12.612,907 -0.799,908 8.006,909 9.208,910 8.081,911 15.346,912 7.458,913 11.428,914 -1,915 14.47,916 -1.228,917 8.978,918 10.168,919 9.397,920 17.629,921 8.289,922 12.847,923 -1,924 16.35,925 -2,926 10.208,927 11.722,928 10.74,929 20.115,930 9.481,931 3.328,932 -1,933 18.246,934 -3,935 11.299,936 12.851,937 12.077,938 22.495,939 10.463,940 3.086,941 11.699,942 20.153,943 -3,944 12.49,945 14.309,946 13.418,947 24.946,948 11.597,949 2.521,950 10.661,951 22.07,952 3.92,953 13.632,954 15.531,955 14.759,956 27.363,957 12.648,958 2.38,959 7.36,960 23.994,961 3.728,962 14.812,963 16.94,964 16.1,965 29.805,966 13.764,967 1.844,968 6.381,969 25.923,970 3.191,971 15.976,972 18.215,973 17.441,974 32.236,975 14.848,976 1.779,977 5.271,978 27.857,979 2.973,980 17.156,981 19.597,982 18.783,983 34.677,984 15.959,985 1.3,986 4.603,987 29.794,988 2.455,989 18.332,990 20.903,991 20.125,992 37.115,993 17.059,994 5140,995 11205,996 14.622,997 25.875,998 37.317,999 36.561,1000 37.969,1001 36.787,1002 36.495,1003 45.59,1004 12.272,1005 108.987,1006 32.947,1007 5.362,1008 6.461,1009 6.533,1010 5.281,1011 5.328,1012 6.92,1013 5.335,1014 18.733,1015 5.087,1016 15.738,1017 1.555,1018 1.523,1019 1.582,1020 1.533,1021 1.521,1022 1.9,1023 0.511,1024 4.541,1025 1.373,1026 3.978,1027 4.004,1028 4.248,1029 3.918,1030 8.513,1031 3.906,1032 3.852,1033 3.872,1034 4.006,1035 3.821,1036 7.999,1037 3.759,1038 3.643,1039 3.691,1040 3.653,1041 3.534,1042 7.999,1043 3.52,1044 3.351,1045 3.405,1046 3.342,1047 3.08,1048 7.428,1049 3.108,1050 3.133,1051 3.178,1052 3.222,1053 2.827,1054 4.939,1055 2.869,1056 2.874,1057 3.009,1058 3.109,1059 2.735,1060 4.812,1061 2.715,1062 2.854,1063 2.925,1064 2.687,1065 2.637,1066 4.354,1067 2.674,1068 2.837,1069 2.875,1070 2.596,1071 2.618,1072 4.124,1073 2.57,1074 0.186,1075 0.186,1076 0.297,1077 0.173,1078 0.139,1079 4.473,1080 0.163,1081 4.461,1082 0.159,1083 7.118,1084 0.487,1085 4.156,1086 0.129,1087 3.328,1088 3.92,1089 3.825,1090 11.699,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.61,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.477,1105 1.475,1106 1.509,1107 1.678,1108 0.676,1109 1.623,1110 1.362,1111 1.308,1112 1.427,1113 1.611,1114 0.539,1115 1.593,1116 1.045,1117 1.011,1118 1.417,1119 1.258,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.239,1126 0.299,1127 1.236,1128 0.886,1129 0.804,1130 1.112,1131 1.062,1132 0.218,1133 1.107,1134 0.711,1135 0.683,1136 0.828,1137 1.002,1139 0.98,1140 3.892,1142 5.242,1143 2.398,1144 6.756,1145 4.595,1146 8.344,1147 6.605,1148 9.971,1150 3.726,1151 5.835,1152 37.72,1156 2.464,1159 -0.552,1161 -4.464,1164 25.137,1165 74.089,1166 142.385,1167 158.485,1168 162.485,1169 162.485,1170 162.485,1171 69.978,1172 6.361,1173 41.99,1174 70.23,1175 11,1176 12.236,1177 3.7,1178 2.907,1179 45.232,1180 77,1181 76,1182 0.289,1183 162.948,1184 288.42,1185 389.352,1186 3869,1187 10.8,1188 17.198,1189 0.748,1190 0.604,1191 15.552,1192 13.889,1193 10.681,1194 0.445,1195 0.332,1196 6.754,1197 9.459,1198 6.468,1199 5.369,1200 10.166,1201 7.97,1202 10.796,1203 0.308,1204 0.193,1205 10.002,1206 6.757,1207 7.503,1208 0.183,1209 0.107,1210 7.484,1211 4.403,1212 6.095,1213 0.122,1214 0.059,1215 6.425,1216 2.968,1217 4.106,1218 0.077,1219 0.032,1220 4.209,1221 1.69,1222 0.448,1223 75.031,1224 0.262,1225 22.455,1226 0.807,1227 118,1228 563.111,1229 183.316,1230 512.309,1231 644.96,1232 470,1233 135,1234 399.96,1235 187.637,1236 411.467,1237 619.55,1238 384,1239 5.824}
{0 CHEMBL609863,1 1.754,2 9.091,3 3.858,4 14.885,5 89.107,6 8.786,7 0.478,8 3.708,9 3.814,10 3.46,11 3.369,12 4.9,13 3.3,14 4.214,15 4.373,16 3.898,17 3.764,18 5.315,19 3.672,20 4.48,21 4.638,22 3.85,23 3.899,24 5.609,25 3.777,26 4.723,27 4.989,28 3.871,29 3.877,30 5.837,31 3.759,32 4.584,33 4.773,34 3.746,35 3.83,36 5.823,37 3.727,38 4.618,39 4.871,40 3.818,41 3.874,42 5.62,43 3.685,44 4.431,45 4.661,46 3.82,47 3.756,48 5.636,49 3.559,50 4.069,51 4.239,52 3.203,53 3.457,54 5.194,55 3.249,56 0.024,57 0.532,58 6.279,59 3.442,60 8.581,61 4.205,62 0.159,63 0.863,64 14.446,65 6.085,66 23.934,67 7.712,68 0.154,69 1.058,70 20.468,71 8.123,72 34.212,73 9.82,74 0.348,75 1.254,76 32.261,77 10.881,78 61.634,79 14.179,80 0.42,81 1.143,82 21.356,83 8.017,84 73.343,85 8.89,86 0.256,87 1.159,88 28.213,89 10.378,90 54.209,91 12.949,92 0.431,93 1.019,94 34.992,95 9.906,96 67.54,97 10.511,98 0.219,99 0.611,100 24.538,101 6.247,102 32.648,103 7.232,104 41,105 33,106 0.315,107 0.67,108 0.728,109 0.747,110 0.747,111 0.747,112 3.147,113 1.034,114 -4.4,115 -4.33,116 -4.08,118 42.1,119 3,121 1,122 1,131 4,132 1,133 1,134 1,140 1,142 2,146 1,154 9,157 2,159 2,161 2,162 15,166 3,170 2,171 11,174 2,175 7,179 5,181 10,185 4,186 1,188 2,190 9,194 5,198 6,200 1,201 4,205 1,207 5,211 2,219 6,221 1,224 694,225 14.066,226 14.066,227 14.066,228 14.066,229 14.066,230 12.498,231 16.199,232 8.102,233 14.505,234 11.276,235 11.276,236 11.276,237 11.276,238 11.276,239 8.841,240 20.687,241 3.774,242 12.099,243 3.494,244 1.515,245 1.192,246 1.086,247 1.086,248 1.086,249 3.796,250 1,252 1,253 1,254 408,255 4,258 71.37,259 82.054,261 1.207,262 23.361,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 46.833,274 200,275 4.512,276 4.059,277 7.378,278 4.432,279 3.431,280 3.833,281 2.035,282 12.793,283 3.433,284 4.173,285 3.903,286 5.759,287 3.624,288 2.748,289 3.758,290 1.987,291 8.023,292 2.5,293 3.906,294 3.119,295 5.623,296 3.514,297 2.553,298 3.312,299 0.324,300 7.567,301 2.367,302 3.627,303 2.917,304 5.19,305 3.23,306 2.273,307 2.73,309 6.346,310 2.144,311 3.416,312 2.699,313 4.937,314 2.911,315 1.997,316 2.585,318 5.722,319 1.752,320 3.231,321 2.401,322 4.674,323 2.619,324 1.671,325 2.298,326 4.753,327 1.536,328 2.747,329 2.001,330 3.618,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1.057,338 3.414,339 1.678,340 0.782,341 1.181,342 1.811,343 0.692,344 2.189,345 1,346 3.277,347 1.35,348 0.417,349 0.683,350 1.131,351 0.363,352 1.645,353 0.812,354 2.736,355 1.189,356 0.311,357 0.445,358 0.473,359 0.271,360 1.006,361 0.434,362 2.53,363 0.567,364 -0.323,365 -0.393,366 -0.791,367 -0.234,368 0.904,369 0.189,370 2.409,371 0.438,372 -0.506,373 -0.688,374 -1.219,375 -0.455,376 0.5,377 -0.321,378 2,380 -1,381 -1,383 -2.86,384 -1,385 0.259,386 -0.727,387 2,389 -1,390 -1,392 -3,393 -1,395 -1,396 2,398 -1,399 -1.5,401 -3,402 -1,403 11.081,404 0.504,405 0.778,406 0.035,407 28.25,408 1.284,409 15,410 0.682,411 13.25,412 0.602,413 20.235,414 0.92,415 23.119,416 0.608,417 18.48,418 0.84,419 5.004,420 0.227,421 5.304,422 0.241,423 0.266,424 0.045,425 0.271,429 0.63,430 1.12,431 0.635,432 0.846,433 0.526,434 0.863,435 0.451,436 0.937,437 0.616,438 0.822,439 0.449,440 0.775,441 0.993,442 1.335,443 1.061,444 1.27,445 0.924,446 1.297,447 0.696,448 0.851,449 0.537,450 0.741,451 0.7,452 0.741,453 1.879,454 0.921,455 0.888,456 0.867,457 1.846,458 1.073,459 0.806,460 0.928,461 0.747,462 0.842,463 0.77,464 0.915,465 0.804,466 0.921,467 1.575,468 1.384,469 0.396,470 0.963,471 1.552,472 1.123,473 2.428,474 1.681,475 1.053,476 1.643,477 6.5,478 0.057,479 2.667,480 2.569,481 1.307,482 0.899,483 0.695,484 0.326,485 0.202,486 0.057,487 4280,488 15205,489 1.908,490 42.1,491 9,492 4,494 1,495 1,496 1,499 1.649,500 1.725,501 3.097,502 -0.265,504 1,506 1,507 66.666,508 1.754,509 3.733,510 4.056,511 4.162,512 4.162,513 4.162,514 2.588,515 3.845,516 4.429,517 3.253,518 751.379,519 7.633,520 8189.95,522 1,523 1,524 1,525 199.421,526 1.753,527 4.338,528 0.283,529 0.011,530 0.081,531 0.083,532 0.04,533 0.032,534 0.027,535 0.014,536 0.014,537 0.005,538 0.589,539 0.17,540 1,541 1.028,542 100.301,543 -0.039,544 -0.038,545 0.028,546 0.04,547 -0.012,548 0.022,549 0.226,550 0.094,551 0.194,552 0.141,553 0.109,554 0.174,555 -0.116,556 -0.361,557 -0.218,558 -0.346,559 -0.103,560 -0.363,561 0.221,562 0.025,563 0.254,564 0.145,565 0.212,566 0.274,567 -0.397,568 0.074,569 -0.21,570 -0.025,571 -0.331,572 -0.205,573 0.013,574 -0.024,575 0.158,576 0.151,577 -0.001,578 0.119,579 0.146,580 0.156,581 -0.107,582 -0.041,583 0.288,584 0.103,585 -0.431,586 -0.223,587 -0.788,588 -0.599,589 -0.302,590 -0.627,591 1.811,592 5.682,593 0.5,594 15.727,595 1.006,596 1.118,597 3.169,598 10.042,599 0.719,600 3.178,601 3.526,602 3.689,603 3.932,604 3.932,605 3.951,606 4.025,607 3.871,608 3.761,609 3.466,610 5.283,611 0.671,612 333.87,613 3.178,614 4.727,615 5.549,616 6.441,617 7.281,618 8.177,619 9.025,620 9.921,621 10.775,622 11.67,623 7.9,628 1,630 1,631 1,633 5,634 1,637 1,638 4,639 11,640 1,648 1,649 38,650 13,651 1,652 23,654 39,655 16,656 9,657 2,658 4,660 2,661 2,662 1,663 3,664 1,670 1,671 10,672 5,673 1,674 1,677 1,680 1,682 1,684 16,685 4,686 1,687 6,688 2,691 3,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 3,722 1,724 22,730 1,733 1,735 1,736 1,737 1,738 1,739 1,740 1,741 2.6,744 1,747 12.75,748 7.876,749 4.806,750 2.154,751 1.931,752 1.31,753 0.921,754 5.079,755 8.162,756 3.481,757 4.021,758 4.49,759 5.017,760 5.294,761 5.416,762 5.594,763 5.614,764 5.633,765 5.815,766 1,767 31,768 8.099,770 3.388,771 7.948,772 15.151,774 12.155,776 2.448,777 53.861,781 176.567,782 134.557,783 65.856,784 39.149,785 25.145,787 31.278,788 103.28,789 240.86,790 65.856,791 26.476,792 18.011,793 37.905,794 75.008,795 47.294,796 1.358,797 196.073,798 39.149,799 176.567,800 169.135,801 25.145,802 70.426,804 176.567,805 25.145,807 85.094,808 67.256,809 55.934,810 31.278,811 176.567,812 91.001,813 173.706,815 176.567,816 44.528,817 73.428,818 34.612,819 112.138,820 176.567,821 91.001,822 173.706,823 0.592,824 0.327,825 0.173,826 0.082,827 15,828 8,829 0.103,830 4,832 1,833 3.255,834 165.273,836 11,837 86.107,838 1,840 16.768,841 6.663,842 4.213,844 91.001,845 8.732,846 4.042,849 1.162,850 2.431,851 18.011,852 441.273,853 31.5,856 12.682,859 -0.145,860 38.218,861 42.475,862 0.334,863 0.711,864 0.773,865 0.793,866 0.793,867 0.793,868 4.743,869 0.782,870 5.602,871 2.275,872 4.205,873 4.705,874 2.788,875 6.46,876 4.09,877 5.987,878 0.417,879 7.204,880 1.811,881 4.111,882 4.575,883 1.593,884 7.716,885 3.979,886 7.312,887 0.311,888 8.92,889 1.131,890 5.905,891 6.832,892 4.034,893 10.731,894 5.737,895 8.667,896 -0.323,897 10.707,898 0.473,899 6.567,900 7.42,901 3.168,902 12.811,903 6.417,904 10.047,905 -0.506,906 12.543,907 -0.791,908 7.943,909 9.198,910 5.378,911 15.484,912 7.781,913 11.445,914 -1,915 14.414,916 -1.219,917 8.921,918 10.119,919 4.654,920 17.873,921 8.791,922 12.857,923 -1,924 16.314,925 -2.86,926 10.172,927 11.689,928 6.755,929 20.457,930 10.045,931 3.431,932 -1,933 18.236,934 -3,935 11.289,936 12.785,937 6.091,938 22.953,939 11.189,940 2.748,941 12.793,942 20.176,943 -3,944 12.507,945 14.249,946 8.147,947 25.512,948 12.419,949 2.553,950 8.023,951 22.129,952 3.833,953 13.684,954 15.443,955 7.5,956 28.043,957 13.616,958 2.273,959 7.567,960 24.093,961 3.758,962 14.899,963 16.85,964 9.546,965 30.595,966 14.842,967 1.997,968 6.346,969 26.065,970 3.312,971 16.103,972 18.1,973 8.894,974 33.137,975 16.06,976 1.671,977 5.722,978 28.043,979 2.73,980 17.322,981 19.476,982 10.949,983 35.687,984 17.289,985 1,986 4.753,987 30.027,988 2.585,989 18.54,990 20.759,991 10.279,992 38.234,993 18.515,994 4424,995 8474,996 14.216,997 27.307,998 36.499,999 38.485,1000 36.086,1001 34.397,1002 34.365,1003 44.653,1004 8.691,1005 101.788,1006 32.117,1007 5.406,1008 6.059,1009 6.934,1010 5.544,1011 5.431,1012 6.833,1013 4.069,1014 20.42,1015 5.433,1016 13.862,1017 1.587,1018 1.673,1019 1.569,1020 1.496,1021 1.494,1022 1.941,1023 0.378,1024 4.426,1025 1.396,1026 3.988,1027 4.014,1028 4.235,1029 3.928,1030 7.428,1031 3.917,1032 3.832,1033 3.852,1034 4.009,1035 3.822,1036 6.82,1037 3.755,1038 3.692,1039 3.738,1040 3.695,1041 3.602,1042 4.939,1043 3.586,1044 3.34,1045 3.382,1046 3.291,1047 3.115,1048 4.81,1049 3.14,1050 3.022,1051 3.078,1052 3.206,1053 2.848,1054 4.386,1055 2.864,1056 2.874,1057 3.009,1058 3.017,1059 2.735,1060 4.199,1061 2.715,1062 2.874,1063 3.009,1064 2.687,1065 2.652,1066 3.749,1067 2.67,1068 2.854,1069 2.925,1070 2.595,1071 2.618,1072 3.674,1073 2.57,1074 0.196,1075 0.176,1076 0.321,1077 0.193,1078 0.149,1079 4.512,1080 0.167,1081 4.059,1082 0.088,1083 7.378,1084 0.556,1085 4.432,1086 0.149,1087 3.431,1088 3.833,1089 2.035,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.708,1099 1.665,1100 1.898,1101 1.834,1102 1.021,1103 1.863,1104 1.485,1105 1.48,1106 1.516,1107 1.645,1108 0.593,1109 1.609,1110 1.377,1111 1.326,1112 1.433,1113 1.565,1114 0.518,1115 1.574,1116 1.051,1117 1.021,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.804,1130 1.181,1131 1.221,1132 0.294,1133 1.223,1134 0.886,1135 0.804,1136 1.108,1137 1.062,1138 0.218,1139 1.107,1140 3.85,1142 5.187,1143 2.398,1144 6.696,1145 4.595,1146 8.285,1147 6.555,1148 9.92,1150 6.025,1151 5.919,1156 2.801,1159 -0.348,1161 -0.271,1162 8.823,1163 2.008,1164 25.481,1165 66.666,1166 141.837,1167 154.137,1168 158.137,1169 158.137,1170 158.137,1171 52.584,1172 6.23,1173 65.78,1174 94.02,1175 11,1176 12.204,1177 3.807,1178 3.248,1179 42.025,1180 66,1181 80,1182 0.306,1183 169.885,1184 293.23,1185 406.279,1186 3169,1187 2.6,1188 16.328,1189 0.742,1190 0.642,1191 17.182,1192 14.125,1193 10.308,1194 0.448,1195 0.345,1196 6.78,1197 9.309,1198 6.343,1199 5.36,1200 11.005,1201 7.927,1202 10.078,1203 0.305,1204 0.226,1205 11.182,1206 7.448,1207 7.114,1208 0.182,1209 0.109,1210 8.168,1211 4.247,1212 6.106,1213 0.122,1214 0.06,1215 7.007,1216 3.003,1217 3.935,1218 0.079,1219 0.033,1220 4.629,1221 1.643,1222 0.467,1223 70.898,1224 0.265,1225 21.476,1226 0.879,1227 112,1228 338.422,1229 160.993,1230 387.295,1231 503.84,1232 356,1233 128,1234 318.369,1235 164.848,1236 354.784,1237 509.44,1238 329,1239 5.824}
{0 CHEMBL609870,1 1.786,2 7.722,3 3.23,4 10.432,5 74.468,6 9.058,7 0.579,8 3.52,9 3.622,10 3.31,11 3.19,12 4.656,13 3.117,14 4.008,15 4.154,16 3.678,17 3.538,18 5.125,19 3.437,20 4.219,21 4.415,22 3.552,23 3.562,24 5.293,25 3.444,26 4.215,27 4.404,28 3.551,29 3.51,30 5.429,31 3.41,32 4.255,33 4.469,34 3.458,35 3.486,36 5.418,37 3.366,38 4.181,39 4.411,40 3.444,41 3.463,42 5.202,43 3.278,44 3.948,45 4.16,46 3.38,47 3.302,48 5.082,49 3.096,50 3.586,51 3.794,52 2.695,53 2.934,54 4.543,55 2.688,56 0.027,57 0.43,58 4.947,59 2.817,60 4.813,61 3.387,62 0.146,63 0.699,64 11.77,65 4.918,66 16.377,67 6.045,68 0.192,69 0.772,70 19.053,71 6.568,72 29.803,73 7.715,74 0.249,75 0.766,76 16.717,77 6.02,78 34.97,79 7.11,80 0.251,81 0.811,82 17.219,83 6.433,84 41.803,85 7.318,86 0.238,87 0.752,88 20.353,89 6.859,90 36.018,91 7.774,92 0.284,93 0.605,94 21.827,95 6.06,96 31.7,97 6.446,98 0.126,99 0.387,100 14.796,101 4.126,102 15.006,103 4.743,104 11,105 25,106 0.339,107 0.702,108 0.826,109 0.85,110 0.85,111 0.85,112 2.96,113 1.093,114 -4.27,115 -4.21,116 -3.97,118 41.9,119 1,120 1,121 1,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 7,157 2,159 2,161 2,162 10,166 2,170 2,171 9,174 1,175 5,179 3,181 6,185 4,188 2,190 5,194 3,198 4,201 3,205 1,207 3,219 1,221 1,224 394,225 12.146,226 12.146,227 12.146,228 12.146,229 12.146,230 10.643,231 12.875,232 7.27,233 12.612,234 9.299,235 9.299,236 9.299,237 9.299,238 9.299,239 7.11,240 16.869,241 3.356,242 10.101,243 3.168,244 1.259,245 0.605,246 0.476,247 0.476,248 0.476,249 3.611,250 1,252 1,253 1,254 288,255 3.082,258 56.303,259 64.052,261 1.278,262 16.503,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 38.333,274 139,275 4.235,276 3.791,277 6.448,278 3.991,279 2.994,280 3.721,281 1.987,282 9.918,283 2.985,284 3.945,285 2.963,286 5.449,287 3.443,288 2.557,289 3.501,290 0.324,291 7.233,292 2.288,293 3.715,294 2.7,295 5.126,296 3.236,297 2.344,298 3.061,300 6.24,301 2.034,302 3.253,303 2.515,304 4.797,305 2.787,306 1.836,307 2.471,309 5.136,310 1.667,311 2.6,312 1.473,313 3.818,314 2.203,315 1.259,316 1.634,318 2.865,319 1.17,320 2.5,321 1.318,322 3.414,323 2,324 1,325 1.5,326 2.275,327 1,328 2.288,329 1,330 3.3,331 1.954,332 0.981,333 1.196,334 2.094,335 0.936,336 2.118,337 0.618,338 3,339 1.416,340 0.618,341 0.927,342 1.372,343 0.486,344 1.268,345 0.515,346 2.523,347 1.039,348 0.093,349 0.103,350 0.152,351 0.079,352 0.971,353 0.39,354 2.437,355 0.554,356 -0.355,357 -0.422,358 -0.796,359 -0.275,360 0.79,361 0.022,362 2,363 0.406,364 -0.55,365 -0.723,366 -1.189,367 -0.499,368 0.5,369 -0.707,370 1.706,372 -1,373 -1.5,374 -3,375 -1,376 0.015,377 -1,378 1.542,379 -0.403,380 -1.298,381 -1.534,383 -3.063,384 -1.036,385 -0.08,386 -1.083,387 1.112,388 -0.556,389 -1.392,390 -1.789,392 -3.109,393 -1.229,394 -0.118,395 -1.402,396 1,397 -0.686,398 -1.618,399 -1.869,401 -4.372,402 -1.347,403 9.181,404 0.51,405 0.383,406 0.021,407 23,408 1.278,409 12,410 0.667,411 11,412 0.611,413 13.576,414 0.754,415 19.019,416 0.614,417 13.546,418 0.753,419 4.274,420 0.237,421 4.429,422 0.246,423 0.169,425 0.272,429 0.643,430 1.122,431 0.619,432 0.806,433 0.557,434 0.832,435 0.498,436 1.14,437 0.742,438 1.011,439 0.558,440 0.96,441 1.116,442 1.034,443 0.959,444 0.963,445 1.14,446 0.976,447 1.15,448 1.048,449 0.814,450 0.956,451 1.314,452 1.04,453 1.387,454 0.958,455 0.72,456 0.818,457 1.673,458 0.931,459 1.155,460 0.922,461 0.984,462 0.91,463 1.24,464 0.932,465 0.795,466 0.98,467 1.571,468 1.393,469 0.474,470 1.11,471 1.094,472 1.084,473 1.863,474 1.496,475 0.712,476 1.46,477 3.5,478 0.02,479 2,480 1.222,481 0.737,482 0.542,483 0.344,484 0.088,485 0.079,486 0.047,487 2656,488 9327,489 1.994,490 41.9,491 5,492 4,493 1,494 1,495 1,496 1,499 1.588,500 1.862,501 2.962,502 -0.225,504 1,506 1,507 55.369,508 1.786,509 3.696,510 4.349,511 4.478,512 4.478,513 4.478,514 2.468,515 3.572,516 4.142,517 3.089,518 472.544,519 7.037,520 4489.61,521 1,522 1,523 1,524 1,525 153.58,526 1.415,527 4.096,528 0.184,529 0.01,530 0.08,531 0.053,532 0.034,533 0.027,534 0.02,535 0.006,536 0.011,537 0.012,538 0.437,539 0.5,540 1,541 0.894,542 76.345,543 -0.047,544 -0.043,545 0.027,546 0.046,547 -0.044,548 0.026,549 0.208,550 -0.092,551 0.052,552 -0.081,553 0.074,554 -0.048,555 -0.124,556 -0.089,557 -0.082,558 -0.062,559 -0.085,560 -0.027,561 -0.019,562 -0.098,563 -0.055,564 -0.123,565 0.009,566 -0.134,567 -0.202,568 0.007,569 -0.013,570 0.054,571 -0.158,572 -0.011,573 -0.152,574 0.04,575 0.001,576 0.115,577 -0.155,578 0.068,579 0.135,580 0.059,581 -0.168,582 -0.163,583 0.188,584 -0.067,585 -0.24,586 -0.169,587 -0.476,588 -0.391,589 -0.201,590 -0.415,591 1.699,592 5.15,593 0.611,594 11.889,595 1.008,596 1.115,597 3.04,598 9.24,599 0.727,600 2.996,601 3.258,602 3.466,603 3.638,604 3.638,605 3.611,606 3.611,607 3.367,608 3.219,609 3.045,610 4.747,611 0.675,612 280.8,613 2.996,614 4.489,615 5.303,616 6.146,617 6.976,618 7.824,619 8.659,620 9.507,621 10.346,622 11.194,623 6.5,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 31,650 12,651 1,652 19,654 32,655 13,656 9,657 2,658 4,660 2,661 2,662 1,663 1,669 1,671 10,672 3,673 1,674 1,677 1,680 1,681 1,682 1,684 13,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 1,722 1,724 18,729 1,730 1,733 1,737 1,740 1,741 3.2,744 1,747 9.667,748 5.76,749 4.139,750 1.916,751 1.744,752 1.299,753 0.955,754 4.586,755 7.585,756 3.277,757 3.801,758 4.271,759 4.757,760 4.98,761 4.997,762 5.198,763 5.114,764 5.124,765 5.364,766 1,767 23,768 6.631,770 2.728,771 7.83,772 12.55,774 9.921,776 2.33,777 41.944,778 0.001,781 141.253,782 109.13,783 34.796,784 39.149,785 25.145,787 31.278,788 77.853,789 205.547,790 34.796,791 8.825,792 20.545,793 45.554,794 58.406,795 16.234,796 11.771,797 148.989,798 39.149,799 141.253,800 112.649,801 25.145,802 70.426,804 141.253,805 25.145,807 38.919,808 56.945,809 55.934,810 31.278,811 141.253,812 59.941,813 148.279,815 141.253,816 45.704,817 63.427,818 18.011,819 81.079,820 141.253,821 59.941,822 148.279,823 0.566,824 0.333,825 0.176,826 0.079,827 11,828 5,829 0.125,830 4,832 1,833 3.043,834 120.364,836 11,837 71.059,838 1,840 13.343,841 6.186,842 3.456,844 59.941,845 10.88,846 4.046,849 1.413,850 2.275,851 18.011,852 349.474,853 25.5,856 12.15,859 -0.033,860 31.233,861 34.561,862 0.361,863 0.746,864 0.878,865 0.904,866 0.904,867 0.904,868 4.463,869 0.618,870 5.263,871 2.094,872 3.932,873 4.483,874 2.076,875 6.009,876 3.796,877 5.639,878 0.093,879 6.786,880 1.372,881 3.434,882 4.086,883 1.593,884 6.823,885 3.23,886 6.912,887 -0.355,888 8.409,889 0.152,890 5.46,891 6.556,892 3.1,893 9.873,894 5.242,895 8.221,896 -0.55,897 10.094,898 -0.796,899 5.802,900 6.968,901 3.168,902 11.54,903 5.559,904 9.558,905 -1,906 11.818,907 -1.189,908 7.262,909 8.861,910 4.312,911 14.099,912 7.017,913 10.913,914 -1.298,915 13.571,916 -3,917 7.987,918 9.649,919 4.654,920 16.119,921 7.749,922 12.282,923 -1.392,924 15.344,925 -3.063,926 9.219,927 11.281,928 5.601,929 18.513,930 8.985,931 2.994,932 -1.618,933 17.134,934 -3.109,935 10.126,936 12.268,937 6.091,938 20.686,939 9.912,940 2.557,941 9.918,942 18.936,943 -4.372,944 11.265,945 13.765,946 6.927,947 23.02,948 11.059,949 2.344,950 7.233,951 20.749,952 3.721,953 12.261,954 14.867,955 7.5,956 25.26,957 12.076,958 1.836,959 6.24,960 22.571,961 3.501,962 13.363,963 16.287,964 8.273,965 27.57,966 13.188,967 1.259,968 5.136,969 24.4,970 3.061,971 14.404,972 17.46,973 8.894,974 29.839,975 14.246,976 1,977 2.865,978 26.234,979 2.471,980 15.494,981 18.836,982 9.631,983 32.14,984 15.345,985 0.981,986 2.275,987 28.074,988 1.634,989 16.558,990 20.053,991 10.279,992 34.422,993 16.422,994 2708,995 5171,996 12.425,997 22.54,998 27.836,999 28.122,1000 28.601,1001 27.465,1002 27.364,1003 36.227,1004 4.622,1005 74.57,1006 25.29,1007 5.117,1008 5.791,1009 6.063,1010 5.085,1011 4.994,1012 6.721,1013 3.497,1014 16.648,1015 4.985,1016 8.564,1017 1.465,1018 1.48,1019 1.505,1020 1.446,1021 1.44,1022 1.907,1023 0.243,1024 3.925,1025 1.331,1026 3.963,1027 3.989,1028 4.205,1029 3.905,1030 7.428,1031 3.894,1032 3.797,1033 3.824,1034 4.003,1035 3.78,1036 4.94,1037 3.701,1038 3.572,1039 3.62,1040 3.611,1041 3.455,1042 4.861,1043 3.442,1044 3.225,1045 3.287,1046 3.184,1047 2.987,1048 4.338,1049 2.992,1050 2.862,1051 2.925,1052 3.067,1053 2.735,1054 4.015,1055 2.727,1056 2.854,1057 2.911,1058 2.687,1059 2.729,1060 3.766,1061 2.715,1062 2.516,1063 2.597,1064 2.602,1065 2.344,1066 3.674,1067 2.308,1068 2.33,1069 2.412,1070 2.429,1071 2.128,1072 3.301,1073 2.033,1074 0.223,1075 0.2,1076 0.339,1077 0.21,1078 0.158,1079 4.235,1080 0.196,1081 3.791,1082 0.105,1083 6.448,1084 0.522,1085 3.991,1086 0.157,1087 2.994,1088 3.721,1089 1.987,1090 9.918,1091 2.985,1092 1.933,1093 1.91,1094 2.043,1095 2.017,1096 1.278,1097 2.03,1098 1.595,1099 1.55,1100 1.818,1101 1.762,1102 0.958,1103 1.781,1104 1.358,1105 1.345,1106 1.508,1107 1.596,1108 0.592,1109 1.58,1110 1.331,1111 1.265,1112 1.424,1113 1.464,1114 0.516,1115 1.504,1116 1.025,1117 0.984,1118 1.181,1119 1.169,1120 0.309,1121 1.217,1122 0.886,1123 0.821,1124 1.14,1125 1.062,1126 0.218,1127 1.107,1128 0.681,1129 0.669,1130 0.869,1131 0.864,1132 0.023,1133 0.874,1134 0.419,1135 0.298,1136 0.738,1137 0.737,1139 0.801,1140 3.664,1142 4.934,1143 2.398,1144 6.392,1145 4.443,1146 7.933,1147 6.26,1148 9.517,1150 1.987,1151 5.845,1155 0.735,1156 2.822,1159 -0.175,1164 20.933,1165 55.369,1166 114.561,1167 134.825,1168 138.825,1169 138.825,1170 138.825,1171 30.405,1172 5.841,1173 41.99,1174 70.23,1175 11,1176 11.755,1177 3.7,1178 2.907,1179 30.921,1180 49,1181 50,1182 0.306,1183 140.168,1184 235.61,1185 333.771,1186 1975,1187 3.2,1188 12.958,1189 0.72,1190 0.637,1191 13.811,1192 11.463,1193 8.703,1194 0.458,1195 0.364,1196 5.722,1197 7.724,1198 5.453,1199 4.555,1200 9.446,1201 6.92,1202 7.456,1203 0.298,1204 0.207,1205 8.474,1206 5.17,1207 6.048,1208 0.195,1209 0.116,1210 6.953,1211 3.6,1212 4.861,1213 0.131,1214 0.065,1215 5.651,1216 2.403,1217 3.073,1218 0.083,1219 0.035,1220 3.585,1221 1.298,1222 0.467,1223 61.373,1224 0.284,1225 18.113,1226 0.873,1227 88,1228 272.777,1229 132.959,1230 316.701,1231 414.19,1232 294,1233 100,1234 257.617,1235 132.396,1236 285.219,1237 411.93,1238 268,1239 5.301}
{0 CHEMBL610060,1 1.58,2 9.304,3 4.542,4 20.626,5 90.775,6 7.996,7 0.64,8 3.802,9 3.923,10 3.428,11 3.402,12 4.914,13 3.366,14 4.313,15 4.476,16 3.816,17 3.797,18 5.405,19 3.733,20 4.585,21 4.788,22 3.836,23 3.905,24 5.634,25 3.815,26 4.657,27 4.893,28 3.777,29 3.848,30 5.768,31 3.751,32 4.588,33 4.803,34 3.636,35 3.746,36 5.745,37 3.667,38 4.567,39 4.823,40 3.627,41 3.733,42 5.564,43 3.612,44 4.443,45 4.684,46 3.702,47 3.646,48 5.594,49 3.55,50 4.263,51 4.478,52 3.298,53 3.589,54 5.223,55 3.43,56 0.02,57 0.584,58 7.583,59 3.543,60 5.932,61 4.664,62 0.151,63 0.94,64 14.494,65 6.362,66 20.151,67 8.533,68 0.18,69 1.145,70 23.108,71 8.102,72 34.571,73 10.772,74 0.288,75 1.186,76 26.071,77 8.815,78 47.78,79 12.039,80 0.342,81 1.121,82 22.117,83 7.151,84 59.772,85 9.1,86 0.203,87 1.067,88 24.497,89 8.214,90 37.596,91 11.285,92 0.393,93 0.938,94 23.586,95 6.478,96 52.446,97 8.655,98 0.221,99 0.74,100 22.961,101 6.804,102 31.031,103 8.852,104 18,105 35,106 0.277,107 0.615,108 0.737,109 0.822,110 0.831,111 0.831,112 3.188,113 0.952,114 -5.32,115 -5.21,116 -4.87,118 43.9,119 2,121 2,131 8,132 1,133 1,135 1,140 1,142 1,146 1,154 11,157 2,159 3,160 1,161 2,162 14,166 4,170 4,171 11,174 1,175 6,178 1,179 8,181 7,185 4,188 6,190 5,194 6,197 4,198 3,201 5,205 3,207 8,215 12,219 1,220 1,221 12,224 722,225 15.292,226 15.292,227 15.292,228 15.292,229 15.292,230 13.274,231 12.875,232 8.991,233 15.577,234 12.339,235 12.339,236 12.339,237 12.339,238 12.339,239 9.324,240 16.869,241 4.265,242 12.868,243 3.777,244 1.854,245 1.159,246 0.671,247 0.622,248 0.622,249 3.865,250 1,253 1,254 459,255 3.536,258 51.357,259 148.342,260 100.72,261 1.388,262 19.968,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 48.833,274 214,275 4.466,276 3.819,277 6.686,278 4.096,279 3.101,280 4.402,281 1.987,282 10.666,283 3.09,284 4.272,285 3.018,286 6.243,287 3.921,288 2.963,289 3.732,290 0.324,291 9.475,292 2.833,293 3.815,294 2.946,295 5.323,296 3.37,297 2.435,298 3.18,300 6.738,301 2.27,302 3.502,303 2.719,304 5.129,305 3.118,306 2.179,307 2.828,309 6.211,310 2.032,311 3.195,312 2.164,313 4.789,314 2.763,315 1.815,316 2.418,318 5.099,319 1.677,320 3.032,321 1.934,322 4.525,323 2.676,324 1.674,325 2.298,326 4.312,327 1.626,328 2.94,329 1.532,330 4.414,331 2.495,332 1.532,333 2.031,334 4.243,335 1.474,336 2.804,337 1.395,338 3.604,339 2.327,340 1.339,341 1.871,342 2.934,343 1.319,344 2.5,345 1,346 3.414,347 2,348 1,349 1.5,350 2.275,351 1,352 1.847,353 0.924,354 3.191,355 1.295,356 0.347,357 0.521,358 0.86,359 0.328,360 1.545,361 0.458,362 3,363 1.292,364 0.333,365 0.381,366 0.85,367 0.3,368 1.077,369 0.347,370 2.602,371 0.668,372 -0.274,373 -0.336,374 -0.694,375 -0.215,376 0.885,377 0.168,378 2,379 0.438,380 -0.479,381 -0.624,383 -1.131,384 -0.412,385 0.635,386 -0.63,387 2,388 0.139,389 -0.855,390 -1,392 -2,393 -0.845,394 0.5,395 -0.839,396 2,398 -1,399 -1.264,401 -2.071,402 -0.963,403 11.248,404 0.489,405 0.63,406 0.027,407 30.5,408 1.326,409 16,410 0.696,411 14.5,412 0.63,413 18.348,414 0.798,415 24.152,416 0.589,417 20.641,418 0.897,419 5.816,420 0.253,421 5.225,422 0.227,423 0.182,425 0.356,429 0.709,430 1.203,431 0.636,432 0.907,433 0.608,434 0.872,435 0.445,436 1.053,437 0.655,438 0.962,439 0.514,440 0.949,441 1.117,442 1.164,443 0.986,444 1.051,445 1.096,446 1.036,447 0.941,448 1.099,449 0.821,450 0.998,451 0.999,452 0.953,453 1.905,454 1.05,455 0.929,456 0.908,457 2.316,458 1.017,459 0.99,460 1.051,461 0.802,462 0.916,463 0.991,464 0.907,465 1.321,466 0.748,467 1.032,468 0.767,469 1.139,470 0.812,471 1.302,472 0.838,473 1.824,474 1.232,475 1.077,476 1.198,477 5,478 0.068,479 2.444,480 2.292,481 1.084,482 0.809,483 0.562,484 0.379,485 0.214,486 0.085,487 5498,488 15576,489 2.041,490 43.9,491 7,492 8,495 2,496 1,499 1.659,500 1.89,501 3.194,502 0.278,507 64.787,508 1.58,509 3.504,510 4.199,511 4.687,512 4.735,513 4.735,514 2.674,515 3.915,516 4.497,517 3.343,518 845.702,519 7.75,520 9571.67,522 1,525 219.66,526 1.478,527 4.443,528 0.2,529 0.009,530 0.07,531 0.067,532 0.034,533 0.03,534 0.022,535 0.015,536 0.011,537 0.005,538 0.463,539 0.33,540 1,541 0.832,542 107.137,543 -0.058,544 -0.05,545 0.013,546 0.019,547 -0.075,548 0.033,549 0.266,550 0.032,551 0.079,552 -0.019,553 0.113,554 -0.013,555 -0.128,556 -0.14,557 -0.088,558 -0.102,559 -0.106,560 -0.093,561 0.112,562 -0.124,563 0.041,564 -0.056,565 0.162,566 0.007,567 -0.374,568 -0.011,569 -0.187,570 -0.033,571 -0.363,572 -0.141,573 -0.028,574 -0.099,575 0.094,576 0.039,577 0.006,578 0.075,579 -0.027,580 0.28,581 0.065,582 0.172,583 0.075,584 0.121,585 -0.278,586 0.076,587 -0.42,588 -0.159,589 -0.21,590 -0.174,591 1.749,592 5.712,593 0.652,594 17.138,595 1.001,596 1.121,597 4.091,598 16.739,599 0.693,600 3.258,601 3.584,602 3.829,603 4.094,604 4.205,605 4.22,606 4.331,607 4.331,608 4.234,609 4.205,610 5.589,611 0.654,612 327.84,613 3.258,614 4.796,615 5.638,616 6.518,617 7.376,618 8.259,619 9.123,620 10.006,621 10.874,622 11.757,623 7.3,628 1,629 1,631 1,632 2,633 8,634 1,635 1,638 3,639 16,648 1,649 41,650 17,651 2,652 25,654 43,655 18,656 13,657 4,658 8,660 3,661 4,662 1,663 2,671 14,672 4,673 2,674 1,677 1,680 1,682 1,684 18,685 3,686 2,687 5,688 1,689 1,691 3,692 0.667,693 1,703 1,704 2,705 1,709 1,717 2,721 2,722 1,724 23,730 1,733 2,740 1,741 2.4,744 1,747 12.167,748 7.843,749 5.028,750 2.49,751 2.861,752 1.422,753 0.982,754 4.577,755 9.638,756 3.555,757 4.171,758 4.737,759 5.348,760 5.799,761 5.99,762 6.354,763 6.619,764 6.441,765 6.745,766 1,767 34,768 8.493,770 3.603,771 7.751,772 16.164,774 13.232,776 2.251,777 51.778,780 1,781 188.338,782 111.039,783 51.582,784 39.149,785 25.145,788 111.039,789 252.631,790 51.582,791 17.65,792 18.011,793 75.81,794 46.635,795 27.515,796 2.144,797 188.338,798 39.149,799 188.338,800 162.62,801 25.145,802 39.149,804 188.338,805 25.145,807 56.49,808 89.345,809 55.934,811 188.338,812 76.727,813 150.187,815 188.338,816 17.578,817 93.46,818 34.796,819 81.079,820 188.338,821 76.727,822 150.187,823 0.585,824 0.337,825 0.187,826 0.094,827 17,828 8,829 0.093,830 4,831 1,832 1.133,833 3.49,834 181.47,835 0.133,836 15,837 98.042,840 15.879,841 6.63,842 3.505,843 1.728,844 59.941,845 15.075,846 4.394,847 3.117,850 2.072,851 34.796,852 415.252,853 34,856 12.712,859 -0.082,860 41.025,861 45.97,862 0.295,863 0.654,864 0.784,865 0.875,866 0.884,867 0.884,868 4.779,869 1.339,870 5.631,871 4.243,872 4.263,873 4.856,874 2.076,875 6.438,876 4.188,877 5.994,878 1,879 7.189,880 2.934,881 3.892,882 4.663,883 1.593,884 7.341,885 3.762,886 7.299,887 0.347,888 8.847,889 2.275,890 5.849,891 7.067,892 3.1,893 10.434,894 5.718,895 8.639,896 0.333,897 10.563,898 0.86,899 6.275,900 7.69,901 3.168,902 12.19,903 6.112,904 10.008,905 -0.274,906 12.318,907 0.85,908 7.729,909 9.583,910 4.312,911 14.795,912 7.561,913 11.4,914 -0.479,915 14.101,916 -0.694,917 8.525,918 10.618,919 4.654,920 16.903,921 8.342,922 12.81,923 -0.855,924 15.906,925 -1.131,926 9.776,927 12.282,928 5.601,929 19.339,930 9.586,931 3.101,932 -1,933 17.727,934 -2,935 10.746,936 13.533,937 6.091,938 21.59,939 10.547,940 2.963,941 10.666,942 19.561,943 -2.071,944 11.912,945 15.09,946 6.927,947 23.967,948 11.706,949 2.435,950 9.475,951 21.406,952 4.402,953 12.962,954 16.452,955 7.5,956 26.275,957 12.75,958 2.179,959 6.738,960 23.259,961 3.732,962 14.095,963 17.961,964 8.273,965 28.632,966 13.877,967 1.815,968 6.211,969 25.118,970 3.18,971 15.18,972 19.379,973 8.894,974 30.965,975 14.957,976 1.674,977 5.099,978 26.983,979 2.828,980 16.302,981 20.867,982 9.631,983 33.318,984 16.073,985 1.532,986 4.312,987 28.852,988 2.418,989 17.403,990 22.314,991 10.279,992 35.662,993 17.17,994 5361,995 9133,996 16.414,997 28.421,998 37.916,999 38.635,1000 39.039,1001 37.587,1002 37.437,1003 50.323,1004 4.622,1005 107.327,1006 35.896,1007 5.354,1008 5.819,1009 6.369,1010 5.151,1011 5.101,1012 7.402,1013 3.497,1014 17.431,1015 5.09,1016 11.7,1017 1.517,1018 1.545,1019 1.562,1020 1.503,1021 1.497,1022 2.013,1023 0.185,1024 4.293,1025 1.436,1026 4.102,1027 4.147,1028 4.071,1029 3.976,1030 7.428,1031 3.99,1032 3.95,1033 3.976,1034 3.998,1035 3.894,1036 5.073,1037 3.887,1038 3.655,1039 3.702,1040 3.661,1041 3.542,1042 4.936,1043 3.533,1044 3.451,1045 3.517,1046 3.349,1047 3.248,1048 4.386,1049 3.269,1050 3.203,1051 3.252,1052 3.222,1053 3.008,1054 4.342,1055 3.015,1056 2.912,1057 3.009,1058 3.064,1059 2.777,1060 4.124,1061 2.771,1062 2.874,1063 2.979,1064 2.791,1065 2.735,1066 3.852,1067 2.715,1068 2.854,1069 2.925,1070 2.687,1071 2.702,1072 3.674,1073 2.706,1074 0.179,1075 0.153,1076 0.267,1077 0.164,1078 0.124,1079 4.466,1080 0.176,1081 3.819,1082 0.079,1083 6.686,1084 0.427,1085 4.096,1086 0.124,1087 3.101,1088 4.402,1089 1.987,1090 10.666,1091 3.09,1092 1.942,1093 1.918,1094 2.059,1095 2.033,1096 1.318,1097 2.043,1098 1.91,1099 1.881,1100 2.01,1101 2.005,1102 1.097,1103 2.01,1104 1.658,1105 1.61,1106 1.868,1107 1.811,1108 0.999,1109 1.831,1110 1.437,1111 1.364,1112 1.564,1113 1.725,1114 0.572,1115 1.696,1116 1.118,1117 1.069,1118 1.417,1119 1.37,1120 0.469,1121 1.351,1122 0.947,1123 0.893,1124 1.311,1125 1.239,1126 0.427,1127 1.308,1128 0.934,1129 0.821,1130 1.181,1131 1.133,1132 0.218,1133 1.136,1134 0.886,1135 0.804,1136 1.127,1137 1.062,1138 0.191,1139 1.107,1140 3.932,1142 5.252,1143 2.398,1144 6.758,1145 4.727,1146 8.348,1147 6.823,1148 9.981,1150 4.051,1151 5.935,1156 2.887,1159 -0.11,1164 26.821,1165 64.787,1166 143.66,1167 172.15,1168 192.15,1169 194.15,1170 194.15,1171 39.229,1172 6.777,1173 57.78,1174 57.78,1175 17,1176 12.294,1177 4.17,1178 3.322,1179 36.781,1180 76,1181 76,1182 0.235,1183 170.545,1184 286.06,1185 407.89,1186 7083,1187 2.4,1188 16.397,1189 0.713,1190 0.598,1191 16.897,1192 13.763,1193 11.042,1194 0.442,1195 0.317,1196 7.522,1197 10.483,1198 7.243,1199 6.07,1200 11.33,1201 7.932,1202 10.196,1203 0.291,1204 0.18,1205 10.605,1206 6.301,1207 8.075,1208 0.179,1209 0.09,1210 8.364,1211 4.061,1212 7.07,1213 0.12,1214 0.048,1215 7.236,1216 2.842,1217 5.092,1218 0.077,1219 0.026,1220 5.306,1221 1.728,1222 0.364,1223 71.228,1224 0.247,1225 22.471,1226 0.66,1227 120,1228 328.25,1229 144.062,1230 354.97,1231 477.27,1232 330,1233 140,1234 331.823,1235 158.108,1236 348.013,1237 507.2,1238 328,1239 5.284}
{0 CHEMBL610333,1 1.788,2 8.381,3 4.147,4 17.196,5 88.298,6 9.278,7 0.5,8 3.686,9 3.788,10 3.484,11 3.356,12 4.803,13 3.275,14 4.205,15 4.36,16 4.013,17 3.764,18 5.296,19 3.658,20 4.462,21 4.619,22 3.853,23 3.874,24 5.557,25 3.743,26 4.693,27 4.959,28 3.864,29 3.854,30 5.745,31 3.725,32 4.576,33 4.762,34 3.764,35 3.829,36 5.79,37 3.716,38 4.602,39 4.851,40 3.888,41 3.863,42 5.61,43 3.665,44 4.408,45 4.638,46 3.849,47 3.748,48 5.467,49 3.527,50 4.032,51 4.189,52 3.464,53 3.448,54 5.152,55 3.199,56 0.034,57 0.5,58 5.633,59 3.384,60 5.874,61 4.204,62 0.187,63 0.816,64 17.404,65 6.272,66 22.076,67 7.759,68 0.221,69 0.971,70 20.699,71 8.1,72 35.077,73 9.82,74 0.383,75 1.177,76 33.203,77 11.005,78 50.28,79 14.117,80 0.444,81 1.097,82 21.648,83 8.177,84 69.681,85 8.947,86 0.358,87 1.108,88 29.202,89 10.522,90 55.404,91 12.919,92 0.417,93 0.959,94 37.168,95 10.191,96 44.647,97 10.575,98 0.233,99 0.507,100 26.088,101 6.444,102 26.945,103 7.288,104 38,105 32,106 0.326,107 0.657,108 0.728,109 0.748,110 0.748,111 0.748,112 3.103,113 1.094,114 -5.29,115 -5.17,116 -4.84,118 40.5,119 3,121 1,122 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,157 2,159 2,161 2,162 16,166 3,170 2,171 11,174 1,175 7,179 6,181 10,185 4,188 2,190 9,194 6,198 7,201 3,205 1,207 7,215 5,219 1,221 3,224 615,225 13.195,226 13.195,227 13.195,228 13.195,229 13.195,230 11.668,231 14.476,232 7.599,233 13.821,234 10.849,235 10.849,236 10.849,237 10.849,238 10.849,239 8.602,240 18.776,241 3.627,242 12.013,243 3.422,244 1.61,245 1.224,246 1.116,247 1.116,248 1.116,249 3.749,250 1,251 1,253 1,254 360,255 3.873,258 67.77,259 77.424,261 1.197,262 21.297,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 44.667,274 176,275 4.512,276 3.904,277 7.378,278 4.432,279 3.431,280 3.816,281 1.987,282 12.793,283 3.433,284 4.092,285 3.132,286 5.747,287 3.574,288 2.718,289 3.701,290 0.324,291 7.899,292 2.497,293 3.905,294 2.976,295 5.565,296 3.496,297 2.552,298 3.309,300 7.476,301 2.291,302 3.529,303 2.916,304 5.142,305 3.178,306 2.25,307 2.671,309 6.211,310 1.998,311 3.299,312 2.407,313 4.877,314 2.854,315 1.956,316 2.538,318 5.502,319 1.682,320 2.998,321 2.236,322 4.538,323 2.475,324 1.608,325 2.128,326 4.506,327 1.291,328 2.5,329 1.059,330 3.602,331 2,332 1,333 1.5,334 2.275,335 1,336 2.207,337 1,338 3.414,339 1.572,340 0.735,341 1.069,342 1.753,343 0.595,344 1.646,345 0.866,346 3.269,347 1.349,348 0.396,349 0.464,350 1.116,351 0.354,352 1.022,353 0.444,354 2.633,355 0.586,356 -0.288,357 -0.346,358 -0.719,359 -0.204,360 0.904,361 0.221,362 2.493,363 0.44,364 -0.474,365 -0.608,366 -1.141,367 -0.339,368 0.5,369 -0.111,370 2,372 -0.843,373 -1,374 -2.006,375 -0.571,376 0.413,377 -0.718,378 2,380 -1,381 -1,383 -3,384 -1,385 0.003,386 -1,387 2,389 -1,390 -1.031,392 -3,393 -1,395 -1,396 1.754,397 -0.188,398 -1,399 -1.5,401 -3,402 -1,403 10.895,404 0.519,405 0.816,406 0.039,407 24.75,408 1.179,409 12,410 0.571,411 12.75,412 0.607,413 21.015,414 1.001,415 22.705,416 0.614,417 15.507,418 0.738,419 4.368,420 0.208,421 5.402,422 0.257,423 0.299,424 0.046,425 0.275,429 0.612,430 1.16,431 0.583,432 0.802,433 0.592,434 0.846,435 0.45,436 1.005,437 0.495,438 0.759,439 0.501,440 0.752,441 0.944,442 1.311,443 0.954,444 1.189,445 1.069,446 1.274,447 0.571,448 0.874,449 0.439,450 0.712,451 0.714,452 0.723,453 1.718,454 0.985,455 0.79,456 0.836,457 2.273,458 1.048,459 0.65,460 0.965,461 0.628,462 0.809,463 0.782,464 0.888,465 0.824,466 0.963,467 1.395,468 1.34,469 0.48,470 0.953,471 1.643,472 1.219,473 2.25,474 1.655,475 1.052,476 1.646,477 6.5,478 0.049,479 2.667,480 2.569,481 1.182,482 0.899,483 0.655,484 0.326,485 0.128,486 0.057,487 3725,488 13944,489 1.904,490 43.2,491 9,492 4,494 1,495 1,496 1,499 1.637,500 1.714,501 2.993,502 -0.244,504 1,507 66.146,508 1.788,509 3.599,510 3.986,511 4.094,512 4.094,513 4.094,514 2.475,515 3.844,516 4.363,517 3.15,518 661.552,519 7.504,520 6956.59,522 1,523 1,524 1,525 192.75,526 1.772,527 4.266,528 0.295,529 0.016,530 0.083,531 0.089,532 0.038,533 0.033,534 0.026,535 0.015,536 0.011,537 0.009,538 0.616,539 0.33,540 1,541 0.935,542 93.665,543 -0.039,544 -0.041,545 0.017,546 0.038,547 -0.073,548 0.022,549 0.226,550 0.065,551 0.249,552 0.163,553 0.135,554 0.176,555 -0.088,556 -0.321,557 -0.198,558 -0.331,559 -0.133,560 -0.364,561 0.231,562 0.029,563 0.239,564 0.149,565 0.247,566 0.272,567 -0.401,568 0.049,569 -0.181,570 -0.022,571 -0.418,572 -0.201,573 0.118,574 -0.025,575 0.172,576 0.152,577 0.066,578 0.12,579 0.039,580 0.154,581 -0.103,582 -0.034,583 0.146,584 0.1,585 -0.393,586 -0.353,587 -0.591,588 -0.548,589 -0.269,590 -0.619,591 1.768,592 5.633,593 0.524,594 14.245,595 1.009,596 1.117,597 4.057,598 16.456,599 0.728,600 3.135,601 3.497,602 3.638,603 3.892,604 3.871,605 3.871,606 3.97,607 3.784,608 3.584,609 3.219,610 4.993,611 0.671,612 343.3,613 3.135,614 4.691,615 5.509,616 6.405,617 7.242,618 8.14,619 8.986,620 9.884,621 10.735,622 11.632,623 5.4,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 37,650 12,651 1,652 22,654 38,655 15,656 9,657 2,658 4,660 2,661 2,662 2,663 3,664 1,671 10,672 5,673 1,674 1,677 1,680 1,682 1,684 16,685 3,686 1,687 6,688 3,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 3,722 2,724 21,730 1,733 1,735 1,737 1,740 2,741 2.7,744 1,747 12.25,748 7.569,749 4.472,750 2.077,751 1.693,752 1.277,753 0.926,754 5.15,755 7.814,756 3.384,757 3.966,758 4.384,759 4.923,760 5.149,761 5.18,762 5.474,763 5.44,764 5.388,765 5.497,766 0.833,767 29,768 7.748,770 3.244,771 7.856,772 14.603,774 11.788,776 2.356,777 49.472,781 176.567,782 118.271,783 34.796,784 78.297,785 25.145,787 31.278,788 86.993,789 280.009,790 34.796,791 26.476,792 18.011,793 37.905,794 58.406,795 17.908,796 39.149,797 196.073,798 39.149,799 176.567,800 121.789,801 25.145,802 109.575,804 176.567,805 25.145,807 55.708,808 49.296,809 55.934,810 70.426,811 176.567,812 59.941,813 196.568,815 176.567,816 44.843,817 73.428,818 18.011,819 120.228,820 176.567,821 59.941,822 196.568,823 0.599,824 0.32,825 0.171,826 0.08,827 15,828 8,829 0.105,830 4,832 1,833 3.156,834 155.653,836 11,837 83.484,838 1,840 16.563,841 6.53,842 4.332,844 59.941,845 8.877,846 4.062,849 1.243,850 2.628,851 18.011,852 433.076,853 28.5,856 12.633,859 -0.101,860 37.324,861 41.336,862 0.343,863 0.691,864 0.765,865 0.786,866 0.786,867 0.786,868 4.642,869 0.735,870 5.572,871 2.275,872 4.174,873 4.649,874 2.076,875 6.431,876 4.023,877 5.884,878 0.396,879 7.175,880 1.753,881 4.111,882 4.575,883 1.593,884 7.692,885 3.931,886 7.212,887 -0.288,888 8.893,889 1.116,890 5.878,891 6.772,892 3.1,893 10.709,894 5.676,895 8.57,896 -0.474,897 10.682,898 -0.719,899 6.553,900 7.379,901 3.168,902 12.796,903 6.376,904 9.952,905 -0.843,906 12.519,907 -1.141,908 7.92,909 9.134,910 4.312,911 15.473,912 7.74,913 11.353,914 -1,915 14.393,916 -2.006,917 8.906,918 10.057,919 4.654,920 17.865,921 8.764,922 12.769,923 -1,924 16.296,925 -3,926 10.155,927 11.615,928 5.601,929 20.452,930 10.022,931 3.431,932 -1,933 18.221,934 -3,935 11.276,936 12.706,937 6.091,938 22.949,939 11.174,940 2.718,941 12.793,942 20.163,943 -3,944 12.494,945 14.162,946 6.927,947 25.51,948 12.406,949 2.552,950 7.899,951 22.118,952 3.816,953 13.674,954 15.348,955 7.5,956 28.041,957 13.607,958 2.25,959 7.476,960 24.084,961 3.701,962 14.89,963 16.749,964 8.273,965 30.594,966 14.836,967 1.956,968 6.211,969 26.058,970 3.309,971 16.096,972 17.99,973 8.894,974 33.137,975 16.056,976 1.608,977 5.502,978 28.038,979 2.671,980 17.316,981 19.359,982 9.631,983 35.687,984 17.286,985 1,986 4.506,987 30.022,988 2.538,989 18.534,990 20.632,991 10.279,992 38.233,993 18.513,994 3848,995 7596,996 13.523,997 26.921,998 34.058,999 34.9,1000 34.701,1001 33.496,1002 33.289,1003 42.391,1004 4.622,1005 99.062,1006 30.282,1007 5.406,1008 5.904,1009 6.792,1010 5.547,1011 5.431,1012 6.816,1013 3.497,1014 20.42,1015 5.433,1016 13.308,1017 1.548,1018 1.586,1019 1.577,1020 1.523,1021 1.513,1022 1.927,1023 0.21,1024 4.503,1025 1.376,1026 3.986,1027 4.012,1028 4.319,1029 3.926,1030 7.428,1031 3.916,1032 3.805,1033 3.823,1034 4.011,1035 3.803,1036 4.999,1037 3.722,1038 3.688,1039 3.733,1040 3.7,1041 3.601,1042 4.936,1043 3.583,1044 3.31,1045 3.344,1046 3.345,1047 3.097,1048 4.408,1049 3.113,1050 2.874,1051 3.009,1052 3.261,1053 2.74,1054 4.36,1055 2.737,1056 2.874,1057 3.009,1058 3.071,1059 2.735,1060 4.199,1061 2.715,1062 2.864,1063 2.925,1064 2.687,1065 2.618,1066 3.695,1067 2.57,1068 2.854,1069 2.902,1070 2.593,1071 2.618,1072 3.674,1073 2.57,1074 0.205,1075 0.177,1076 0.335,1077 0.201,1078 0.156,1079 4.512,1080 0.173,1081 3.904,1082 0.09,1083 7.378,1084 0.581,1085 4.432,1086 0.156,1087 3.431,1088 3.816,1089 1.987,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.708,1099 1.665,1100 1.898,1101 1.834,1102 1.021,1103 1.863,1104 1.38,1105 1.371,1106 1.479,1107 1.639,1108 0.577,1109 1.607,1110 1.334,1111 1.302,1112 1.417,1113 1.428,1114 0.487,1115 1.448,1116 1.042,1117 1.019,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.346,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.804,1130 1.181,1131 1.132,1132 0.293,1133 1.183,1134 0.886,1135 0.804,1136 1.053,1137 1.062,1138 0.218,1139 1.107,1140 3.807,1142 5.153,1143 2.398,1144 6.663,1145 4.595,1146 8.252,1147 6.529,1148 9.888,1150 6.085,1151 11.757,1156 2.834,1159 -0.308,1161 -0.237,1164 24.814,1165 66.146,1166 133.166,1167 147.466,1168 151.466,1169 151.466,1170 151.466,1171 47.129,1172 6.12,1173 41.99,1174 70.23,1175 11,1176 12.165,1177 3.7,1178 2.907,1179 39.023,1180 59,1181 66,1182 0.316,1183 167.686,1184 285.42,1185 400.914,1186 2705,1187 5.4,1188 15.621,1189 0.744,1190 0.682,1191 16.975,1192 14.312,1193 9.77,1194 0.444,1195 0.365,1196 6.533,1197 8.601,1198 6.069,1199 5.114,1200 10.755,1201 8.021,1202 9.909,1203 0.31,1204 0.247,1205 11.583,1206 7.908,1207 6.69,1208 0.181,1209 0.117,1210 7.955,1211 4.321,1212 5.882,1213 0.123,1214 0.065,1215 7.081,1216 3.131,1217 3.713,1218 0.079,1219 0.037,1220 4.646,1221 1.733,1222 0.479,1223 70.492,1224 0.272,1225 20.53,1226 0.922,1227 108,1228 320.981,1229 178.338,1230 395.698,1231 508.7,1232 364,1233 123,1234 301.823,1235 167.317,1236 346.039,1237 501.66,1238 321,1239 6}
{0 CHEMBL610463,1 1.737,2 7.684,3 3.482,4 12.122,5 79.017,6 8.671,7 0.55,8 3.602,9 3.709,10 3.352,11 3.26,12 4.715,13 3.182,14 4.105,15 4.263,16 3.732,17 3.623,18 5.184,19 3.519,20 4.339,21 4.532,22 3.626,23 3.692,24 5.38,25 3.565,26 4.434,27 4.659,28 3.677,29 3.674,30 5.569,31 3.562,32 4.424,33 4.627,34 3.58,35 3.657,36 5.61,37 3.541,38 4.409,39 4.656,40 3.604,41 3.667,42 5.37,43 3.468,44 4.197,45 4.428,46 3.56,47 3.52,48 5.27,49 3.3,50 3.816,51 4.013,52 2.785,53 3.134,54 4.79,55 2.864,56 0.017,57 0.471,58 6.06,59 3.199,60 5.248,61 3.963,62 0.144,63 0.767,64 13.936,65 5.571,66 18.56,67 7.061,68 0.163,69 0.873,70 20.516,71 7.362,72 30.35,73 8.98,74 0.246,75 0.939,76 22.643,77 7.877,78 38.892,79 9.909,80 0.3,81 0.957,82 19.694,83 7.197,84 54.521,85 8.286,86 0.226,87 0.933,88 24.334,89 8.55,90 39.123,91 10.344,92 0.323,93 0.79,94 28.421,95 7.921,96 36.75,97 8.517,98 0.156,99 0.462,100 19.673,101 5.185,102 20.492,103 6.062,104 18,105 27,106 0.323,107 0.676,108 0.785,109 0.807,110 0.807,111 0.807,112 3.01,113 1.094,114 -4.53,115 -4.45,116 -4.19,118 41.2,119 2,121 2,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 8,157 2,159 2,161 2,162 12,166 2,170 2,171 10,174 1,175 6,179 4,181 8,185 4,188 2,190 7,194 4,198 5,201 3,205 1,207 4,219 1,221 1,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.949,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.654,243 3.35,244 1.456,245 0.868,246 0.75,247 0.75,248 0.75,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 17.221,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.333,274 146,275 4.289,276 3.818,277 6.685,278 4.089,279 3.09,280 3.739,281 1.987,282 10.662,283 3.087,284 3.945,285 2.972,286 5.452,287 3.443,288 2.559,289 3.501,290 0.324,291 7.244,292 2.292,293 3.753,294 2.755,295 5.182,296 3.293,297 2.39,298 3.109,300 6.354,301 2.111,302 3.253,303 2.524,304 4.809,305 2.789,306 1.839,307 2.472,309 5.186,310 1.742,311 2.947,312 1.935,313 4.565,314 2.756,315 1.772,316 1.976,318 4.38,319 1.639,320 2.558,321 1.318,322 3.449,323 2.057,324 1.131,325 1.56,326 2.496,327 1.031,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.416,340 0.618,341 0.927,342 1.372,343 0.486,344 1.542,345 0.618,346 3,347 1.274,348 0.314,349 0.364,350 0.787,351 0.282,352 0.971,353 0.402,354 2.441,355 0.556,356 -0.337,357 -0.404,358 -0.819,359 -0.245,360 0.882,361 0.114,362 2,363 0.429,364 -0.525,365 -0.705,366 -1.237,367 -0.481,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.409,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.57,398 -1.398,399 -1.802,401 -3.177,402 -1.229,403 9.681,404 0.51,405 0.511,406 0.027,407 23.5,408 1.237,409 12,410 0.632,411 11.5,412 0.605,413 15.92,414 0.838,415 20.319,416 0.598,417 14.225,418 0.749,419 4.274,420 0.225,421 4.801,422 0.253,423 0.212,425 0.31,429 0.64,430 1.144,431 0.635,432 0.838,433 0.578,434 0.87,435 0.485,436 1.103,437 0.721,438 0.976,439 0.537,440 0.924,441 1.07,442 1.109,443 0.965,444 1.028,445 1.118,446 1.066,447 0.927,448 0.976,449 0.672,450 0.854,451 1.044,452 0.891,453 1.7,454 0.967,455 0.799,456 0.834,457 2.083,458 0.998,459 0.963,460 0.941,461 0.839,462 0.858,463 1.064,464 0.921,465 0.802,466 0.969,467 1.56,468 1.384,469 0.434,470 1.027,471 1.379,472 1.194,473 2.244,474 1.698,475 0.917,476 1.69,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 9918,489 1.965,490 44.1,491 7,492 4,493 1,494 1,495 1,496 1,499 1.607,500 1.81,501 2.928,502 -0.249,504 1,506 1,507 59.067,508 1.737,509 3.631,510 4.22,511 4.337,512 4.337,513 4.337,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 172.974,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.5,540 1,541 0.92,542 81.822,543 -0.038,544 -0.043,545 0.031,546 0.043,547 -0.054,548 0.024,549 0.218,550 -0.045,551 0.082,552 -0.03,553 0.098,554 0.012,555 -0.117,556 -0.149,557 -0.119,558 -0.134,559 -0.102,560 -0.124,561 0.097,562 -0.051,563 0.085,564 -0.007,565 0.138,566 0.054,567 -0.325,568 0.029,569 -0.121,570 0.006,571 -0.289,572 -0.12,573 -0.067,574 -0.001,575 0.079,576 0.13,577 -0.101,578 0.076,579 0.105,580 0.109,581 -0.13,582 -0.096,583 0.193,584 0.019,585 -0.353,586 -0.304,587 -0.687,588 -0.6,589 -0.308,590 -0.657,591 1.702,592 5.36,593 0.579,594 12.648,595 1.003,596 1.117,597 3.296,598 10.863,599 0.715,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.661,612 294.83,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 5.9,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 34,650 12,651 1,652 20,654 35,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 15,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,724 19,730 1,733 2,737 1,740 1,741 2.9,744 1,747 10.5,748 6.593,749 4.25,750 2.027,751 1.704,752 1.288,753 0.942,754 4.805,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 7.01,770 2.895,771 7.804,772 13.307,774 10.612,776 2.304,777 43.778,778 0.001,781 164.795,782 115.421,783 34.796,784 39.149,785 25.145,787 31.278,788 84.143,789 229.089,790 34.796,791 17.65,792 18.011,793 45.554,794 58.406,795 16.234,796 11.771,797 172.531,798 39.149,799 164.795,800 118.94,801 25.145,802 70.426,804 164.795,805 25.145,807 45.209,808 56.945,809 55.934,810 31.278,811 164.795,812 59.941,813 154.57,815 164.795,816 43.169,817 72.252,818 18.011,819 81.079,820 164.795,821 59.941,822 154.57,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.114,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,838 1,840 14.321,841 6.375,842 3.691,844 59.941,845 10.921,846 4.071,849 1.414,850 2.268,851 18.011,852 379.306,853 26.5,856 12.36,859 -0.035,860 34.116,861 37.976,862 0.341,863 0.714,864 0.829,865 0.853,866 0.853,867 0.853,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.882,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.443,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.361,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.767,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.188,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 7.991,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.224,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.209,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.372,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.438,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.575,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.676,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.805,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.92,994 3028,995 5652,996 12.83,997 24.301,998 29.962,999 30.402,1000 30.632,1001 29.496,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 27.337,1007 5.177,1008 5.818,1009 6.3,1010 5.184,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.087,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.475,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.367,1026 3.973,1027 3.999,1028 4.205,1029 3.913,1030 7.428,1031 3.903,1032 3.798,1033 3.824,1034 4.005,1035 3.78,1036 4.94,1037 3.701,1038 3.633,1039 3.683,1040 3.648,1041 3.532,1042 4.861,1043 3.513,1044 3.28,1045 3.326,1046 3.223,1047 3.058,1048 4.354,1049 3.07,1050 2.874,1051 3.009,1052 3.153,1053 2.735,1054 4.125,1055 2.73,1056 2.861,1057 2.925,1058 2.687,1059 2.73,1060 3.775,1061 2.715,1062 2.854,1063 2.905,1064 2.602,1065 2.618,1066 3.674,1067 2.57,1068 2.491,1069 2.55,1070 2.499,1071 2.329,1072 3.467,1073 2.294,1074 0.214,1075 0.191,1076 0.334,1077 0.204,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.089,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.369,1105 1.359,1106 1.51,1107 1.627,1108 0.598,1109 1.599,1110 1.353,1111 1.291,1112 1.425,1113 1.471,1114 0.524,1115 1.507,1116 1.038,1117 1.009,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.16,1126 0.298,1127 1.203,1128 0.886,1129 0.804,1130 1.101,1131 1.062,1132 0.218,1133 1.107,1134 0.681,1135 0.669,1136 0.785,1137 0.857,1139 0.87,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.057,1151 5.882,1156 2.852,1159 -0.012,1164 22.46,1165 59.067,1166 123.464,1167 143.464,1168 147.464,1169 147.464,1170 147.464,1171 35.212,1172 5.922,1173 41.99,1174 70.23,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 149.761,1184 252.91,1185 357.176,1186 2133,1187 2.9,1188 13.828,1189 0.728,1190 0.649,1191 14.682,1192 12.333,1193 9.075,1194 0.454,1195 0.365,1196 6.095,1197 8.097,1198 5.75,1199 4.839,1200 9.818,1201 7.292,1202 8.205,1203 0.304,1204 0.22,1205 9.223,1206 5.931,1207 6.212,1208 0.188,1209 0.115,1210 7.117,1211 3.781,1212 5.266,1213 0.128,1214 0.064,1215 6.056,1216 2.635,1217 3.233,1218 0.081,1219 0.035,1220 3.739,1221 1.389,1222 0.476,1223 63.609,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 278.777,1229 138.959,1230 323.635,1231 423.43,1232 300,1233 107,1234 264.617,1235 139.396,1236 293.718,1237 423.92,1238 275,1239 6.097}
{0 CHEMBL610740,1 1.695,2 10,3 5.216,4 27.208,5 93.334,6 9.081,7 0.615,8 3.793,9 3.887,10 3.524,11 3.411,12 4.945,13 3.385,14 4.307,15 4.443,16 3.946,17 3.806,18 5.476,19 3.756,20 4.565,21 4.735,22 3.965,23 3.914,24 5.683,25 3.837,26 4.631,27 4.838,28 3.921,29 3.842,30 5.83,31 3.765,32 4.552,33 4.742,34 3.799,35 3.735,36 5.77,37 3.679,38 4.541,39 4.775,40 3.724,41 3.702,42 5.605,43 3.606,44 4.414,45 4.613,46 3.778,47 3.61,48 5.625,49 3.543,50 4.148,51 4.298,52 3.518,53 3.562,54 5.307,55 3.438,56 0.059,57 0.525,58 5.637,59 3.43,60 6.693,61 4.11,62 0.258,63 0.846,64 12.407,65 6.144,66 23.737,67 7.714,68 0.344,69 1.03,70 23.345,71 8.346,72 43.461,73 9.892,74 0.526,75 1.096,76 26.599,77 8.956,78 59.396,79 11.15,80 0.534,81 1.054,82 20.098,83 7.184,84 64.567,85 7.901,86 0.378,87 1,88 24.157,89 8.387,90 43.251,91 10.637,92 0.595,93 0.825,94 23.851,95 6.89,96 61.457,97 7.518,98 0.349,99 0.621,100 20.569,101 5.967,102 41.587,103 6.883,104 27,105 37,106 0.299,107 0.633,108 0.727,109 0.805,110 0.826,111 0.826,112 3.228,113 0.96,114 -5.82,115 -5.68,116 -5.29,118 45,119 2,121 2,131 7,132 1,133 2,135 1,140 1,142 1,146 1,154 9,156 1,157 3,159 3,161 1,162 15,166 5,170 2,171 12,174 2,175 8,179 6,181 7,185 7,188 3,190 5,194 10,197 1,198 3,201 6,205 1,207 7,211 1,215 11,219 2,221 10,224 804,225 15.74,226 15.74,227 15.74,228 15.74,229 15.74,230 13.696,231 14.476,232 9.127,233 16.102,234 12.822,235 12.822,236 12.822,237 12.822,238 12.822,239 9.737,240 17.51,241 4.344,242 13.509,243 3.626,244 1.733,245 1.198,246 0.757,247 0.638,248 0.638,249 3.903,250 2,253 1,254 511,255 3.606,258 54.214,259 155.5,260 105.397,261 1.333,262 25.847,265 0.75,266 0.83,267 1,268 0.8,269 0.5,270 1,271 1,272 0.84,273 51.667,274 240,275 4.491,276 3.819,277 6.686,278 4.1,279 3.104,280 4.433,281 1.987,282 10.667,283 3.093,284 4.275,285 3.107,286 6.268,287 3.964,288 2.99,289 3.732,290 0.324,291 9.567,292 2.906,293 3.825,294 2.966,295 5.341,296 3.38,297 2.445,298 3.218,300 6.84,301 2.278,302 3.665,303 2.772,304 5.153,305 3.219,306 2.31,307 3.061,309 6.306,310 2.084,311 3.353,312 2.679,313 4.934,314 2.928,315 2.003,316 2.612,318 5.681,319 1.792,320 3.131,321 2.072,322 4.78,323 2.762,324 1.81,325 2.354,326 5.06,327 1.647,328 3.011,329 1.934,330 4.518,331 2.594,332 1.605,333 2.235,334 4.31,335 1.547,336 2.893,337 1.522,338 4.394,339 2.483,340 1.503,341 1.908,342 4.154,343 1.459,344 2.5,345 1,346 3.414,347 2,348 1,349 1.5,350 2.275,351 1,352 1.947,353 0.926,354 3.2,355 1.425,356 0.474,357 0.69,358 1.19,359 0.433,360 1.546,361 0.674,362 3.158,363 1.293,364 0.333,365 0.382,366 0.853,367 0.301,368 1.121,369 0.45,370 2.617,371 0.697,372 -0.24,373 -0.3,374 -0.617,375 -0.187,376 0.888,377 0.181,378 2.359,379 0.442,380 -0.426,381 -0.531,383 -1.024,384 -0.289,385 0.853,386 0.044,387 2,388 0.355,389 -0.538,390 -0.705,392 -1.325,393 -0.45,394 0.58,395 -0.648,396 2,397 0.07,398 -0.906,399 -1,401 -2,402 -0.879,403 11.895,404 0.496,405 0.736,406 0.031,407 31.25,408 1.302,409 16,410 0.667,411 15.25,412 0.635,413 20.229,414 0.843,415 25.305,416 0.633,417 21.644,418 0.902,419 5.921,420 0.247,421 5.515,422 0.23,423 0.232,425 0.378,429 0.681,430 1.186,431 0.535,432 0.868,433 0.601,434 0.829,435 0.521,436 1.023,437 0.569,438 0.86,439 0.504,440 0.865,441 1.115,442 1.153,443 0.986,444 1.05,445 1.113,446 1.032,447 0.873,448 1.113,449 0.766,450 0.976,451 0.953,452 0.942,453 1.431,454 1.072,455 0.754,456 0.888,457 1.988,458 0.995,459 0.882,460 1.041,461 0.638,462 0.908,463 0.924,464 0.902,465 1.588,466 0.657,467 0.97,468 0.691,469 1.27,470 0.752,471 1.176,472 0.917,473 1.646,474 1.32,475 0.995,476 1.291,477 6,478 0.101,479 2.667,480 2.479,481 1.276,482 0.945,483 0.577,484 0.419,485 0.227,486 0.165,487 6133,488 20927,489 2.015,490 40,491 7,492 7,495 1,496 1,499 1.67,500 1.846,501 3.277,502 -0.301,507 67.818,508 1.695,509 3.589,510 4.124,511 4.565,512 4.684,513 4.684,514 2.709,515 4.137,516 4.558,517 3.412,518 941.844,519 7.87,520 11002.7,525 212.877,526 1.528,527 4.493,528 0.231,529 0.008,530 0.072,531 0.069,532 0.038,533 0.033,534 0.021,535 0.016,536 0.011,537 0.009,538 0.508,539 0.33,540 0.88,541 0.854,542 113.743,543 -0.043,544 -0.079,545 0.009,546 -0.019,547 -0.073,548 0.011,549 0.236,550 0.038,551 0.096,552 0.031,553 0.143,554 0.03,555 -0.152,556 -0.153,557 -0.108,558 -0.107,559 -0.13,560 -0.094,561 0.122,562 -0.124,563 0.054,564 -0.036,565 0.173,566 0.028,567 -0.221,568 0.004,569 -0.087,570 -0.022,571 -0.319,572 -0.12,573 0.021,574 -0.069,575 0.135,576 0.039,577 0.029,578 0.104,579 -0.192,580 0.332,581 0.015,582 0.273,583 -0.041,584 0.19,585 -0.165,586 0.015,587 -0.412,588 -0.291,589 -0.093,590 -0.317,591 1.843,592 5.713,593 0.625,594 18.958,595 1.014,596 1.116,597 4.587,598 21.039,599 0.718,600 3.296,601 3.638,602 3.871,603 4.143,604 4.277,605 4.317,606 4.419,607 4.431,608 4.357,609 4.344,610 5.818,611 0.684,612 363.26,613 3.296,614 4.844,615 5.687,616 6.572,617 7.432,618 8.319,619 9.186,620 10.074,621 10.944,622 11.832,623 5,628 1,631 1,632 2,633 7,634 1,636 1,638 4,639 16,648 2,649 40,650 17,651 2,652 26,654 42,655 18,656 13,657 5,658 7,660 3,661 4,662 2,663 2,671 14,672 4,673 2,674 1,677 1,680 1,684 16,685 4,686 1,687 6,688 2,691 2,692 0.667,693 2,695 1,703 1,704 2,705 1,709 1,717 2,721 2,722 2,724 24,730 1,733 2,740 2,741 5,744 1,746 1,747 13,748 7.819,749 5.194,750 2.428,751 2.866,752 1.416,753 0.969,754 5.018,755 9.76,756 3.584,757 4.216,758 4.776,759 5.395,760 5.872,761 6.109,762 6.462,763 6.736,764 6.614,765 6.845,766 0.857,767 36,768 8.853,770 3.781,771 7.856,772 16.627,774 13.557,776 2.356,777 56.556,781 176.567,782 110.447,783 34.796,784 78.297,785 34.652,788 110.447,789 289.516,790 34.796,791 17.65,792 18.011,793 66.334,794 46.635,795 26.429,796 4.836,797 176.567,798 78.297,799 176.567,800 145.243,801 34.652,802 78.297,804 176.567,805 34.652,807 42.396,808 86.061,809 95.083,811 176.567,812 69.449,813 188.744,815 176.567,816 26.463,817 83.984,818 18.011,819 129.735,820 176.567,821 69.449,822 188.744,823 0.591,824 0.336,825 0.184,826 0.095,827 18,828 9,829 0.095,830 4,831 1,832 1.133,833 3.547,834 192.979,835 0.133,836 15,837 104.039,840 17.12,841 7.035,842 3.87,843 1.174,844 69.449,845 12.402,846 4.259,848 5.556,850 2.26,851 18.011,852 434.759,853 35,856 12.713,859 -0.176,860 40.574,861 44.625,862 0.319,863 0.674,864 0.775,865 0.858,866 0.88,867 0.88,868 4.82,869 1.503,870 5.694,871 4.31,872 4.317,873 4.902,874 2.076,875 6.506,876 4.229,877 6.047,878 1,879 7.258,880 4.154,881 4.007,882 4.783,883 1.593,884 7.409,885 3.84,886 7.361,887 0.474,888 8.917,889 2.275,890 5.916,891 7.127,892 3.1,893 10.491,894 5.777,895 8.707,896 0.333,897 10.631,898 1.19,899 6.365,900 7.785,901 3.168,902 12.228,903 6.186,904 10.08,905 -0.24,906 12.381,907 0.853,908 7.794,909 9.646,910 4.312,911 14.836,912 7.631,913 11.474,914 -0.426,915 14.159,916 -0.617,917 8.598,918 10.698,919 4.654,920 16.932,921 8.421,922 12.884,923 -0.538,924 15.957,925 -1.024,926 9.837,927 12.348,928 5.601,929 19.371,930 9.666,931 3.104,932 -0.906,933 17.772,934 -1.325,935 10.809,936 13.609,937 6.091,938 21.616,939 10.634,940 2.99,941 10.667,942 19.601,943 -2,944 11.971,945 15.162,946 6.927,947 23.994,948 11.796,949 2.445,950 9.567,951 21.441,952 4.433,953 13.022,954 16.532,955 7.5,956 26.3,957 12.844,958 2.31,959 6.84,960 23.29,961 3.732,962 14.154,963 18.042,964 8.273,965 28.658,966 13.973,967 2.003,968 6.306,969 25.146,970 3.218,971 15.24,972 19.468,973 8.894,974 30.989,975 15.057,976 1.81,977 5.681,978 27.009,979 3.061,980 16.362,981 20.96,982 9.631,983 33.342,984 16.175,985 1.605,986 5.06,987 28.876,988 2.612,989 17.466,990 22.415,991 10.279,992 35.685,993 17.275,994 6014,995 11251,996 16.819,997 28.727,998 39.657,999 40.75,1000 41.075,1001 39.481,1002 39.158,1003 52.252,1004 4.622,1005 113.805,1006 37.08,1007 5.379,1008 5.819,1009 6.1,1010 5.146,1011 5.104,1012 7.433,1013 3.497,1014 17.433,1015 5.093,1016 13.677,1017 1.525,1018 1.567,1019 1.58,1020 1.518,1021 1.506,1022 2.01,1023 0.178,1024 4.377,1025 1.426,1026 4.082,1027 4.096,1028 4.117,1029 3.957,1030 7.428,1031 3.972,1032 3.949,1033 3.973,1034 4.005,1035 3.892,1036 5.232,1037 3.886,1038 3.656,1039 3.701,1040 3.706,1041 3.543,1042 4.937,1043 3.533,1044 3.441,1045 3.487,1046 3.594,1047 3.23,1048 4.782,1049 3.258,1050 3.189,1051 3.211,1052 3.223,1053 3.004,1054 4.355,1055 3.011,1056 2.9,1057 3.009,1058 3.179,1059 2.779,1060 4.126,1061 2.77,1062 2.874,1063 2.948,1064 2.888,1065 2.735,1066 4.045,1067 2.715,1068 2.854,1069 2.925,1070 2.687,1071 2.707,1072 3.904,1073 2.709,1074 0.173,1075 0.147,1076 0.257,1077 0.158,1078 0.119,1079 4.491,1080 0.171,1081 3.819,1082 0.076,1083 6.686,1084 0.41,1085 4.1,1086 0.119,1087 3.104,1088 4.433,1089 1.987,1090 10.667,1091 3.093,1092 1.941,1093 1.918,1094 2.059,1095 2.03,1096 1.318,1097 2.042,1098 1.887,1099 1.872,1100 1.948,1101 1.971,1102 1.065,1103 1.971,1104 1.656,1105 1.609,1106 1.868,1107 1.805,1108 0.999,1109 1.829,1110 1.364,1111 1.32,1112 1.488,1113 1.679,1114 0.539,1115 1.628,1116 1.071,1117 1.039,1118 1.417,1119 1.311,1120 0.469,1121 1.308,1122 0.934,1123 0.871,1124 1.237,1125 1.239,1126 0.28,1127 1.282,1128 0.886,1129 0.821,1130 1.181,1131 1.062,1132 0.218,1133 1.107,1134 0.882,1135 0.804,1136 1.048,1137 1.052,1138 0.095,1139 1.048,1140 3.97,1142 5.303,1143 2.398,1144 6.815,1145 4.727,1146 8.409,1147 6.823,1148 10.048,1150 3.982,1151 11.866,1156 2.753,1159 -0.231,1164 27.342,1165 67.818,1166 143.574,1167 164.961,1168 182.612,1169 187.367,1170 187.367,1171 45.085,1172 6.894,1173 55.13,1174 55.13,1175 17,1176 12.366,1177 4.17,1178 3.322,1179 39.245,1180 83,1181 82,1182 0.231,1183 176.08,1184 299.06,1185 421.395,1186 8169,1187 5,1188 17.267,1189 0.719,1190 0.614,1191 18.267,1192 14.728,1193 11.436,1194 0.44,1195 0.32,1196 7.549,1197 10.514,1198 7.244,1199 6.034,1200 12.013,1201 8.318,1202 10.83,1203 0.293,1204 0.183,1205 11.647,1206 6.766,1207 8.411,1208 0.179,1209 0.09,1210 8.962,1211 4.245,1212 7.325,1213 0.118,1214 0.047,1215 7.726,1216 2.939,1217 5.362,1218 0.076,1219 0.026,1220 5.827,1221 1.817,1222 0.359,1223 77.175,1224 0.244,1225 23.327,1226 0.643,1227 126,1228 391.856,1229 167.845,1230 438.29,1231 576.08,1232 406,1233 147,1234 379.705,1235 177.048,1236 401.857,1237 588.2,1238 378,1239 5.367}
{0 CHEMBL610741,1 1.654,2 8.524,3 3.91,4 15.286,5 88.45,6 8.072,7 0.5,8 3.748,9 3.864,10 3.431,11 3.387,12 4.816,13 3.301,14 4.275,15 4.456,16 3.864,17 3.767,18 5.294,19 3.655,20 4.488,21 4.671,22 3.815,23 3.882,24 5.526,25 3.745,26 4.625,27 4.848,28 3.776,29 3.857,30 5.71,31 3.715,32 4.587,33 4.818,34 3.651,35 3.765,36 5.693,37 3.642,38 4.537,39 4.79,40 3.727,41 3.786,42 5.5,43 3.6,44 4.382,45 4.59,46 3.693,47 3.69,48 5.507,49 3.502,50 4.137,51 4.336,52 3.208,53 3.521,54 5.039,55 3.31,56 0.016,57 0.551,58 8.189,59 3.949,60 5.375,61 5.086,62 0.152,63 0.901,64 17.644,65 6.839,66 19.419,67 9.012,68 0.17,69 1.058,70 25.725,71 8.886,72 28.998,73 10.753,74 0.253,75 1.165,76 29.408,77 9.862,78 41.808,79 12.336,80 0.346,81 1.12,82 25.034,83 8.125,84 55.646,85 10.106,86 0.182,87 1.045,88 27.244,89 9.565,90 33.846,91 11.977,92 0.413,93 0.908,94 31.057,95 8.739,96 56.563,97 9.495,98 0.155,99 0.667,100 23.028,101 6.9,102 18.728,103 8.579,104 38,105 31,106 0.297,107 0.626,108 0.753,109 0.798,110 0.798,111 0.798,112 3.103,113 1.102,114 -5.02,115 -4.92,116 -4.61,118 40,119 4,121 2,131 4,132 1,133 1,135 1,140 1,142 1,146 1,154 8,157 3,159 2,161 2,162 13,166 3,170 2,171 12,174 1,175 6,179 6,181 8,185 4,188 2,190 7,194 6,198 7,201 3,205 1,207 8,215 8,219 1,221 5,224 589,225 13.43,226 13.43,227 13.43,228 13.43,229 13.43,230 11.85,231 16.157,232 7.747,233 13.881,234 10.802,235 10.802,236 10.802,237 10.802,238 10.802,239 8.468,240 22.784,241 3.647,242 11.596,243 3.668,244 1.833,245 1.125,246 0.875,247 0.875,248 0.875,249 3.752,250 1,252 1,253 1,254 366,255 3.536,258 66.987,259 77.51,261 1.311,262 18.533,263 1,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 44.333,274 179,275 4.329,276 3.819,277 6.686,278 4.092,279 3.096,280 3.965,281 1.987,282 10.665,283 3.087,284 4.233,285 3.064,286 6.038,287 3.784,288 2.883,289 3.728,290 0.324,291 8.691,292 2.589,293 3.802,294 2.957,295 5.291,296 3.361,297 2.429,298 3.152,300 6.577,301 2.256,302 3.387,303 2.722,304 5.095,305 3.037,306 2.104,307 2.616,309 6.038,310 1.951,311 3.115,312 2.147,313 4.782,314 2.762,315 1.811,316 2.289,318 5.052,319 1.648,320 2.893,321 1.934,322 4.51,323 2.561,324 1.596,325 1.905,326 4.173,327 1.494,328 2.601,329 1.547,330 4,331 2.121,332 1.247,333 1.635,334 3.27,335 1.069,336 2.5,337 1,338 3.414,339 2,340 1,341 1.5,342 2.275,343 1,344 1.545,345 0.926,346 3.193,347 1.29,348 0.334,349 0.381,350 0.852,351 0.299,352 1.035,353 0.48,354 2.599,355 0.642,356 -0.28,357 -0.337,358 -0.702,359 -0.215,360 0.884,361 0.185,362 2,363 0.456,364 -0.445,365 -0.528,366 -1.056,367 -0.392,368 0.773,369 -0.118,370 2,371 0.434,372 -0.486,373 -0.625,374 -1.143,375 -0.423,376 0.5,377 -0.583,378 2,380 -1,381 -1,383 -2,384 -1,385 0.134,386 -0.832,387 1.735,389 -1,390 -1.378,392 -2.762,393 -1,395 -1,396 1.561,397 -0.194,398 -1.148,399 -1.5,401 -3,402 -1.031,403 10.681,404 0.509,405 0.706,406 0.034,407 24.5,408 1.167,409 12,410 0.571,411 12.5,412 0.595,413 20.593,414 0.981,415 22.919,416 0.573,417 15.124,418 0.72,419 4.395,420 0.209,421 5.485,422 0.261,423 0.285,425 0.374,429 0.637,430 1.181,431 0.669,432 0.895,433 0.611,434 0.933,435 0.435,436 1.048,437 0.618,438 0.861,439 0.492,440 0.824,441 1.173,442 1.195,443 1.16,444 1.176,445 1.156,446 1.102,447 0.985,448 1.207,449 0.922,450 1.13,451 1.045,452 1.072,453 1.812,454 0.861,455 0.801,456 0.739,457 2.081,458 0.893,459 0.9,460 0.961,461 0.791,462 0.866,463 0.96,464 0.875,465 1.531,466 0.937,467 1.589,468 1.289,469 1.606,470 1.024,471 1.125,472 1.046,473 1.796,474 1.398,475 0.662,476 1.386,477 5.5,478 0.078,479 2.667,480 2.417,481 0.987,482 0.841,483 0.536,484 0.379,485 0.177,486 0.067,487 3841,488 11478,489 1.915,490 47.5,491 7,492 4,495 1,496 7,499 1.635,500 1.726,501 3.067,502 -0.291,504 1,507 66.167,508 1.654,509 3.489,510 4.196,511 4.446,512 4.446,513 4.446,514 2.529,515 3.69,516 4.365,517 3.217,518 675.514,519 7.494,520 7164.21,522 1,523 1,524 1,525 212.877,526 1.575,527 4.277,528 0.25,529 0.019,530 0.086,531 0.081,532 0.035,533 0.034,534 0.022,535 0.018,536 0.012,537 0.008,538 0.565,539 0.33,540 1,541 0.935,542 94.333,543 -0.025,544 -0.041,545 0.035,546 0.038,547 -0.072,548 0.021,549 0.27,550 0.019,551 0.21,552 0.113,553 0.14,554 0.151,555 -0.152,556 -0.135,557 -0.175,558 -0.159,559 -0.118,560 -0.141,561 0.06,562 -0.213,563 -0.058,564 -0.189,565 0.112,566 -0.124,567 -0.33,568 0.172,569 -0.087,570 0.092,571 -0.283,572 -0.02,573 0.007,574 -0.009,575 0.125,576 0.115,577 0.018,578 0.108,579 -0.098,580 0.141,581 -0.199,582 -0.052,583 -0.068,584 -0.035,585 -0.25,586 -0.11,587 -0.462,588 -0.346,589 -0.125,590 -0.357,591 1.693,592 5.583,593 0.524,594 14.717,595 0.997,596 1.12,597 3.789,598 14.353,599 0.696,600 3.135,601 3.466,602 3.664,603 3.871,604 3.892,605 3.871,606 3.932,607 3.807,608 3.664,609 3.367,610 5.179,611 0.638,612 322.89,613 3.135,614 4.673,615 5.501,616 6.375,617 7.22,618 8.096,619 8.948,620 9.823,621 10.678,622 11.552,623 5,628 1,631 1,633 4,634 1,637 1,638 5,639 11,648 1,649 40,650 12,651 1,652 22,654 41,655 16,656 9,657 2,658 4,660 2,661 2,662 1,663 4,671 10,672 6,673 2,674 1,677 1,680 1,682 1,684 19,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 4,722 1,724 21,730 1,733 2,737 1,740 1,741 2.5,744 1,747 12.167,748 8.426,749 4.611,750 2.448,751 1.749,752 1.284,753 0.936,754 5.257,755 7.912,756 3.384,757 3.966,758 4.432,759 4.945,760 5.206,761 5.21,762 5.445,763 5.413,764 5.448,765 5.614,766 0.833,767 30,768 7.768,770 3.2,771 7.743,772 14.856,774 11.896,776 2.243,777 47.111,778 0.001,780 1,781 211.88,782 120.49,783 34.796,784 39.149,785 25.145,787 31.278,788 89.213,789 276.173,790 34.796,791 35.301,792 18.011,793 37.905,794 46.635,795 9.944,796 1.358,797 243.158,798 39.149,799 211.88,800 124.009,801 25.145,802 70.426,804 211.88,805 25.145,807 56.569,808 50.654,809 55.934,810 31.278,811 211.88,812 59.941,813 159.639,815 211.88,816 47.284,817 73.206,818 18.011,819 81.079,820 211.88,821 59.941,822 159.639,823 0.592,824 0.338,825 0.174,826 0.083,827 14,828 8,829 0.098,830 4,832 1,833 3.193,834 153.563,836 11,837 86.239,838 1,840 16.283,841 6.78,842 3.969,844 59.941,845 7.449,846 4.365,849 1.505,850 4.389,851 18.011,852 431.46,853 28.5,856 12.583,859 -0.027,860 39.883,861 44.807,862 0.311,863 0.656,864 0.789,865 0.835,866 0.835,867 0.835,868 4.623,869 1,870 5.517,871 3.27,872 4.143,873 4.649,874 2.076,875 6.323,876 4.02,877 5.841,878 0.334,879 7.088,880 2.275,881 3.892,882 4.527,883 1.593,884 7.244,885 3.711,886 7.148,887 -0.28,888 8.754,889 0.852,890 5.74,891 6.78,892 3.1,893 10.307,894 5.531,895 8.485,896 -0.445,897 10.475,898 -0.702,899 6.236,900 7.396,901 3.168,902 12.052,903 5.994,904 9.849,905 -0.486,906 12.23,907 -1.056,908 7.625,909 9.18,910 4.312,911 14.651,912 7.363,913 11.231,914 -1,915 14.011,916 -1.143,917 8.456,918 10.145,919 4.654,920 16.751,921 8.18,922 12.627,923 -1,924 15.813,925 -2,926 9.67,927 11.722,928 5.601,929 19.188,930 9.382,931 3.096,932 -1.148,933 17.63,934 -2.762,935 10.653,936 12.866,937 6.091,938 21.438,939 10.36,940 2.883,941 10.665,942 19.461,943 -3,944 11.798,945 14.339,946 6.927,947 23.819,948 11.501,949 2.429,950 8.691,951 21.302,952 3.965,953 12.85,954 15.579,955 7.5,956 26.132,957 12.555,958 2.104,959 6.577,960 23.152,961 3.728,962 13.971,963 16.999,964 8.273,965 28.496,966 13.676,967 1.811,968 6.038,969 25.01,970 3.152,971 15.054,972 18.292,973 8.894,974 30.836,975 14.764,976 1.596,977 5.052,978 26.873,979 2.616,980 16.168,981 19.685,982 9.631,983 33.196,984 15.881,985 1.247,986 4.173,987 28.742,988 2.289,989 17.267,990 21.007,991 10.279,992 35.549,993 16.986,994 3963,995 6965,996 13.641,997 27.824,998 33.491,999 34.388,1000 35.291,1001 33.161,1002 33,1003 42.341,1004 4.622,1005 95.187,1006 30.787,1007 5.217,1008 5.819,1009 6.1,1010 5.201,1011 5.096,1012 6.965,1013 3.497,1014 17.427,1015 5.087,1016 13.578,1017 1.522,1018 1.563,1019 1.604,1020 1.507,1021 1.5,1022 1.925,1023 0.21,1024 4.327,1025 1.399,1026 3.981,1027 4.007,1028 4.24,1029 3.924,1030 7.428,1031 3.908,1032 3.863,1033 3.887,1034 4.006,1035 3.848,1036 4.94,1037 3.787,1038 3.643,1039 3.692,1040 3.651,1041 3.536,1042 4.827,1043 3.522,1044 3.327,1045 3.387,1046 3.223,1047 3.095,1048 4.354,1049 3.109,1050 3.083,1051 3.193,1052 3.182,1053 2.905,1054 4.125,1055 2.847,1056 2.967,1057 3.032,1058 2.983,1059 2.835,1060 3.919,1061 2.811,1062 2.874,1063 3.009,1064 2.77,1065 2.735,1066 3.765,1067 2.715,1068 2.854,1069 2.925,1070 2.687,1071 2.618,1072 3.674,1073 2.593,1074 0.197,1075 0.174,1076 0.304,1077 0.186,1078 0.141,1079 4.329,1080 0.18,1081 3.819,1082 0.09,1083 6.686,1084 0.485,1085 4.092,1086 0.14,1087 3.096,1088 3.965,1089 1.987,1090 10.665,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.657,1099 1.61,1100 1.868,1101 1.802,1102 0.999,1103 1.829,1104 1.612,1105 1.576,1106 1.801,1107 1.751,1108 0.95,1109 1.778,1110 1.391,1111 1.347,1112 1.558,1113 1.607,1114 0.642,1115 1.61,1116 1.148,1117 1.083,1118 1.436,1119 1.397,1120 0.535,1121 1.439,1122 0.947,1123 0.877,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.821,1130 1.181,1131 1.131,1132 0.283,1133 1.159,1134 0.886,1135 0.804,1136 1.093,1137 1.062,1138 0.218,1139 1.107,1140 3.807,1142 5.13,1143 2.398,1144 6.624,1145 4.727,1146 8.196,1147 6.763,1148 9.808,1150 8.025,1151 5.917,1156 2.934,1159 -0.028,1164 25.513,1165 66.167,1166 139.574,1167 167.858,1168 177.858,1169 177.858,1170 177.858,1171 43.253,1172 6.163,1173 41.99,1174 70.23,1175 11,1176 12.096,1177 3.7,1178 2.907,1179 39.139,1180 63,1181 65,1182 0.303,1183 168.945,1184 287.51,1185 403.987,1186 2932,1187 2.5,1188 15.569,1189 0.741,1190 0.675,1191 16.422,1192 14.178,1193 9.88,1194 0.449,1195 0.367,1196 6.941,1197 8.902,1198 6.469,1199 5.472,1200 10.577,1201 8.08,1202 9.346,1203 0.301,1204 0.228,1205 10.483,1206 7.063,1207 7.118,1208 0.187,1209 0.123,1210 8.128,1211 4.677,1212 5.825,1213 0.124,1214 0.067,1215 6.777,1216 3.162,1217 3.811,1218 0.079,1219 0.038,1220 4.541,1221 1.815,1222 0.464,1223 67.931,1224 0.271,1225 20.649,1226 0.864,1227 106,1228 294.777,1229 154.632,1230 340.776,1231 451.21,1232 316,1233 122,1234 289.312,1235 158.07,1236 321.41,1237 465.73,1238 301,1239 5.745}
{0 CHEMBL611338,1 1.842,2 8.381,3 3.86,4 14.9,5 83.663,6 8.834,7 0.5,8 3.69,9 3.797,10 3.441,11 3.323,12 4.855,13 3.258,14 4.211,15 4.37,16 3.918,17 3.706,18 5.368,19 3.633,20 4.468,21 4.633,22 3.785,23 3.835,24 5.639,25 3.721,26 4.695,27 4.962,28 3.83,29 3.841,30 5.776,31 3.716,32 4.579,33 4.769,34 3.728,35 3.801,36 5.822,37 3.702,38 4.606,39 4.858,40 3.82,41 3.835,42 5.722,43 3.645,44 4.415,45 4.65,46 3.786,47 3.695,48 5.529,49 3.497,50 4.049,51 4.219,52 3.223,53 3.289,54 5.355,55 3.104,56 0.052,57 0.582,58 6.221,59 3.612,60 6.972,61 4.245,62 0.219,63 0.965,64 15.503,65 6.297,66 25.261,67 7.572,68 0.302,69 1.122,70 20.162,71 8.202,72 46.641,73 9.708,74 0.465,75 1.185,76 31.993,77 10.529,78 58.529,79 13.92,80 0.512,81 1.146,82 21.578,83 8.025,84 77.714,85 8.905,86 0.471,87 1.149,88 28.3,89 10.24,90 83.207,91 12.716,92 0.466,93 1.032,94 35.331,95 9.726,96 54.904,97 10.132,98 0.276,99 0.737,100 24.782,101 6.357,102 29.988,103 6.696,104 38,105 32,106 0.336,107 0.667,108 0.728,109 0.748,110 0.748,111 0.748,112 3.103,113 1.042,114 -5.17,115 -5.06,116 -4.74,118 40.5,119 3,121 1,122 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 9,157 2,159 2,161 2,162 15,166 2,170 2,171 11,174 1,175 7,179 5,181 10,185 4,188 2,190 9,194 5,198 6,201 3,205 1,207 5,219 1,221 1,224 615,225 13.195,226 13.195,227 13.195,228 13.195,229 13.195,230 11.668,231 14.502,232 7.599,233 13.728,234 10.849,235 10.849,236 10.849,237 10.849,238 10.849,239 8.602,240 18.818,241 3.627,242 11.817,243 3.368,244 1.556,245 1.224,246 1.116,247 1.116,248 1.116,249 3.749,250 1,252 1,253 1,254 360,255 3.873,258 67.77,259 77.424,261 1.197,262 26.603,263 1,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 45.833,274 176,275 4.512,276 3.904,277 7.378,278 4.432,279 3.431,280 3.816,281 1.987,282 12.793,283 3.433,284 4.092,285 3.13,286 5.747,287 3.583,288 2.718,289 3.701,290 0.324,291 7.899,292 2.498,293 3.905,294 2.96,295 5.565,296 3.501,297 2.552,298 3.309,300 7.476,301 2.308,302 3.529,303 2.916,304 5.142,305 3.189,306 2.25,307 2.671,309 6.211,310 2.049,311 3.299,312 2.407,313 4.877,314 2.865,315 1.956,316 2.538,318 5.502,319 1.703,320 2.998,321 2.227,322 4.538,323 2.511,324 1.608,325 2.128,326 4.506,327 1.405,328 2.5,329 1.059,330 3.602,331 2,332 1,333 1.5,334 2.275,335 1,336 2.207,337 1,338 3.414,339 1.585,340 0.735,341 1.069,342 1.753,343 0.615,344 1.646,345 0.863,346 3.269,347 1.349,348 0.396,349 0.464,350 1.116,351 0.355,352 1.022,353 0.443,354 2.633,355 0.593,356 -0.288,357 -0.346,358 -0.719,359 -0.212,360 0.904,361 0.218,362 2.493,363 0.441,364 -0.474,365 -0.608,366 -1.141,367 -0.384,368 0.5,369 -0.123,370 2,372 -0.843,373 -1,374 -2.006,375 -0.693,376 0.413,377 -0.719,378 2,380 -1,381 -1,383 -3,384 -1,385 0.003,386 -1,387 2,389 -1,390 -1.031,392 -3,393 -1,395 -1,396 1.754,397 -0.04,398 -1,399 -1.5,401 -3,402 -1,403 10.467,404 0.498,405 0.816,406 0.039,407 24.75,408 1.179,409 12,410 0.571,411 12.75,412 0.607,413 20.149,414 0.959,415 23.133,416 0.625,417 16.374,418 0.78,419 4.499,420 0.214,421 5.271,422 0.251,423 0.271,424 0.048,425 0.287,428 1,429 0.579,430 1.037,431 0.626,432 0.868,433 0.552,434 0.89,435 0.466,436 0.989,437 0.573,438 0.906,439 0.517,440 0.805,441 0.851,442 1.084,443 1.025,444 1.191,445 0.897,446 1.299,447 0.442,448 0.636,449 0.513,450 0.72,451 0.487,452 0.748,453 1.372,454 0.824,455 0.87,456 0.844,457 1.551,458 1.071,459 0.529,460 0.8,461 0.713,462 0.823,463 0.537,464 0.921,465 0.8,466 0.926,467 1.555,468 1.38,469 0.589,470 0.975,471 1.673,472 1.619,473 2.441,474 1.857,475 1.278,476 1.751,477 6.5,478 0.049,479 2.667,480 2.569,481 1.182,482 0.899,483 0.655,484 0.326,485 0.128,486 0.057,487 3725,488 13944,489 1.904,490 43.2,491 9,492 4,494 1,495 1,496 1,499 1.637,500 1.714,501 2.993,502 -0.244,504 1,506 1,507 68.146,508 1.842,509 3.653,510 3.986,511 4.094,512 4.094,513 4.094,514 2.475,515 3.844,516 4.363,517 3.15,518 661.552,519 7.504,520 6956.59,522 1,523 1,524 1,525 192.75,526 1.772,527 4.266,528 0.295,529 0.016,530 0.083,531 0.089,532 0.038,533 0.033,534 0.026,535 0.015,536 0.011,537 0.009,538 0.616,539 0.33,540 1,541 0.935,542 93.665,543 -0.034,544 -0.038,545 0.027,546 0.04,547 -0.053,548 0.023,549 0.179,550 -0.034,551 0.223,552 0.052,553 0.096,554 0.152,555 -0.053,556 -0.163,557 -0.236,558 -0.305,559 -0.078,560 -0.366,561 0.204,562 0.041,563 0.255,564 0.127,565 0.181,566 0.264,567 -0.316,568 0.023,569 -0.211,570 -0.026,571 -0.295,572 -0.203,573 0.144,574 -0.034,575 0.169,576 0.133,577 0.137,578 0.1,579 0.014,580 0.048,581 -0.116,582 -0.058,583 0.067,584 0.086,585 -0.315,586 -0.517,587 -0.761,588 -0.743,589 -0.151,590 -0.743,591 2.093,592 5.554,593 0.524,594 14.245,595 1.014,596 1.128,597 3.936,598 15.49,599 0.703,600 3.135,601 3.497,602 3.638,603 3.892,604 3.871,605 3.871,606 3.97,607 3.784,608 3.584,609 3.219,610 4.993,611 0.659,612 326.85,613 3.135,614 4.691,615 5.509,616 6.405,617 7.242,618 8.14,619 8.986,620 9.884,621 10.735,622 11.632,623 5.4,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 37,650 12,651 1,652 22,654 38,655 15,656 9,657 2,658 4,660 2,661 2,662 1,663 3,664 1,671 10,672 5,673 1,674 1,677 1,680 1,682 1,683 1,684 16,685 4,686 1,687 6,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 3,722 1,723 1,724 21,730 1,733 1,735 1,737 1,740 2,741 2.7,744 1,747 12.25,748 7.569,749 4.472,750 2.077,751 1.693,752 1.277,753 0.925,754 4.871,755 7.814,756 3.384,757 3.966,758 4.384,759 4.923,760 5.149,761 5.18,762 5.474,763 5.44,764 5.388,765 5.497,766 0.833,767 29,768 7.784,770 3.312,771 8.041,772 14.463,774 11.68,776 2.541,777 53.361,781 176.567,782 123.891,783 34.796,784 39.149,785 25.145,786 14.96,787 31.278,788 92.613,789 240.86,790 49.756,791 26.476,792 18.011,793 37.905,794 58.406,795 38.488,797 196.073,798 39.149,799 176.567,800 127.41,801 40.105,802 70.426,804 176.567,805 25.145,806 14.96,807 61.328,808 49.296,809 55.934,810 31.278,811 191.527,812 59.941,813 163.04,815 176.567,816 50.463,817 73.428,818 18.011,819 96.039,820 176.567,821 74.901,822 163.04,823 0.599,824 0.32,825 0.171,826 0.08,827 15,828 8,829 0.105,830 4,832 1,833 3.156,834 155.653,836 11,837 83.484,838 1,840 16.219,841 6.307,842 4.161,844 74.901,845 8.271,846 3.818,849 0.811,850 1.319,851 18.011,852 414.508,853 28.5,856 12.554,859 -0.209,860 37.513,861 41.731,862 0.354,863 0.701,864 0.765,865 0.786,866 0.786,867 0.786,868 4.642,869 0.735,870 5.572,871 2.275,872 4.174,873 4.649,874 2.076,875 6.431,876 4.041,877 5.884,878 0.396,879 7.175,880 1.753,881 4.111,882 4.575,883 1.593,884 7.692,885 3.956,886 7.212,887 -0.288,888 8.893,889 1.116,890 5.878,891 6.772,892 3.1,893 10.709,894 5.693,895 8.57,896 -0.474,897 10.682,898 -0.719,899 6.553,900 7.379,901 3.168,902 12.796,903 6.39,904 9.952,905 -0.843,906 12.519,907 -1.141,908 7.92,909 9.134,910 4.312,911 15.473,912 7.751,913 11.353,914 -1,915 14.393,916 -2.006,917 8.906,918 10.057,919 4.654,920 17.865,921 8.771,922 12.769,923 -1,924 16.296,925 -3,926 10.155,927 11.615,928 5.601,929 20.452,930 10.028,931 3.431,932 -1,933 18.221,934 -3,935 11.276,936 12.706,937 6.091,938 22.949,939 11.178,940 2.718,941 12.793,942 20.163,943 -3,944 12.494,945 14.162,946 6.927,947 25.51,948 12.409,949 2.552,950 7.899,951 22.118,952 3.816,953 13.674,954 15.348,955 7.5,956 28.041,957 13.609,958 2.25,959 7.476,960 24.084,961 3.701,962 14.89,963 16.749,964 8.273,965 30.594,966 14.837,967 1.956,968 6.211,969 26.058,970 3.309,971 16.096,972 17.99,973 8.894,974 33.137,975 16.057,976 1.608,977 5.502,978 28.038,979 2.671,980 17.316,981 19.359,982 9.631,983 35.687,984 17.286,985 1,986 4.506,987 30.022,988 2.538,989 18.534,990 20.632,991 10.279,992 38.233,993 18.514,994 3848,995 7596,996 13.523,997 26,998 34.058,999 34.879,1000 34.701,1001 33.421,1002 33.289,1003 42.391,1004 4.622,1005 99.062,1006 30.73,1007 5.406,1008 5.904,1009 6.792,1010 5.54,1011 5.431,1012 6.816,1013 3.497,1014 20.42,1015 5.433,1016 13.308,1017 1.548,1018 1.585,1019 1.577,1020 1.519,1021 1.513,1022 1.927,1023 0.21,1024 4.503,1025 1.397,1026 3.986,1027 4.013,1028 4.233,1029 3.925,1030 8.201,1031 3.915,1032 3.811,1033 3.833,1034 4.009,1035 3.779,1036 7.428,1037 3.71,1038 3.688,1039 3.735,1040 3.694,1041 3.6,1042 4.939,1043 3.581,1044 3.312,1045 3.35,1046 3.286,1047 3.092,1048 4.765,1049 3.11,1050 2.874,1051 3.009,1052 3.174,1053 2.735,1054 4.386,1055 2.733,1056 2.874,1057 3.009,1058 2.687,1059 2.73,1060 4.199,1061 2.715,1062 2.866,1063 2.925,1064 2.619,1065 2.618,1066 3.725,1067 2.57,1068 2.854,1069 2.908,1070 2.528,1071 2.618,1072 3.674,1073 2.57,1074 0.205,1075 0.177,1076 0.335,1077 0.201,1078 0.156,1079 4.512,1080 0.173,1081 3.904,1082 0.09,1083 7.378,1084 0.581,1085 4.432,1086 0.156,1087 3.431,1088 3.816,1089 1.987,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.708,1099 1.665,1100 1.898,1101 1.834,1102 1.021,1103 1.863,1104 1.38,1105 1.36,1106 1.482,1107 1.64,1108 0.57,1109 1.607,1110 1.323,1111 1.289,1112 1.417,1113 1.479,1114 0.469,1115 1.474,1116 1.041,1117 1.019,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.366,1125 1.239,1126 0.454,1127 1.308,1128 0.934,1129 0.804,1130 1.181,1131 1.159,1132 0.292,1133 1.19,1134 0.886,1135 0.804,1136 1.061,1137 1.062,1138 0.218,1139 1.107,1140 3.807,1142 5.153,1143 2.398,1144 6.663,1145 4.595,1146 8.252,1147 6.529,1148 9.888,1150 5.941,1151 5.892,1152 12.97,1156 2.678,1159 -0.387,1161 -0.298,1164 24.37,1165 68.146,1166 135.166,1167 147.466,1168 151.466,1169 151.466,1170 151.466,1171 53.703,1172 6.12,1173 41.99,1174 70.23,1175 11,1176 12.165,1177 3.7,1178 2.907,1179 39.023,1180 59,1181 66,1182 0.316,1183 160.551,1184 276.28,1185 383.505,1186 2705,1187 5.4,1188 15.621,1189 0.744,1190 0.646,1191 15.604,1192 13.556,1193 9.77,1194 0.444,1195 0.347,1196 6.478,1197 8.715,1198 6.069,1199 5.114,1200 10.119,1201 7.643,1202 9.909,1203 0.31,1204 0.226,1205 10.293,1206 7.227,1207 6.69,1208 0.181,1209 0.108,1210 7.267,1211 3.992,1212 5.882,1213 0.123,1214 0.06,1215 6.379,1216 2.863,1217 3.713,1218 0.079,1219 0.033,1220 3.868,1221 1.531,1222 0.479,1223 68.183,1224 0.272,1225 20.53,1226 0.922,1227 108,1228 380.888,1229 162.074,1230 395.698,1231 508.7,1232 364,1233 123,1234 318.294,1235 160.24,1236 346.039,1237 501.66,1238 321,1239 6.155}
{0 CHEMBL611339,1 1.834,2 8.4,3 3.941,4 15.528,5 83.823,6 9.684,7 0.524,8 3.611,9 3.708,10 3.448,11 3.293,12 4.747,13 3.216,14 4.116,15 4.261,16 3.957,17 3.682,18 5.239,19 3.572,20 4.352,21 4.53,22 3.784,23 3.734,24 5.455,25 3.611,26 4.438,27 4.659,28 3.759,29 3.687,30 5.595,31 3.58,32 4.432,33 4.625,34 3.663,35 3.687,36 5.63,37 3.571,38 4.418,39 4.655,40 3.771,41 3.699,42 5.478,43 3.511,44 4.212,45 4.426,46 3.717,47 3.579,48 5.317,49 3.367,50 3.851,51 4.008,52 3.329,53 3.286,54 4.972,55 3.047,56 0.044,57 0.459,58 4.462,59 2.992,60 5.785,61 3.622,62 0.186,63 0.747,64 14.753,65 5.58,66 19.557,67 6.721,68 0.274,69 0.853,70 21.07,71 7.443,72 37.35,73 8.712,74 0.344,75 0.933,76 22.73,77 8.061,78 41.316,79 9.864,80 0.397,81 0.951,82 19.193,83 7.399,84 57.596,85 7.927,86 0.367,87 0.927,88 25.056,89 8.819,90 52.05,91 10.354,92 0.38,93 0.778,94 30.354,95 8.307,96 39.824,97 8.483,98 0.217,99 0.433,100 21.585,101 5.35,102 22.69,103 5.906,104 27,105 29,106 0.341,107 0.686,108 0.785,109 0.807,110 0.807,111 0.807,112 3.058,113 1.103,114 -5.04,115 -4.94,116 -4.63,118 41.2,119 2,121 2,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 8,157 2,159 2,161 2,162 13,166 3,170 2,171 10,174 1,175 6,179 5,181 8,185 4,188 2,190 7,194 5,198 6,201 3,205 1,207 6,215 4,219 1,221 3,224 532,225 12.93,226 12.93,227 12.93,228 12.93,229 12.93,230 11.402,231 14.476,232 7.577,233 13.556,234 10.334,235 10.334,236 10.334,237 10.334,238 10.334,239 8.082,240 18.776,241 3.585,242 11.498,243 3.253,244 1.4,245 0.868,246 0.75,247 0.75,248 0.75,249 3.707,250 1,251 1,252 1,253 1,254 345,255 3.464,258 63.687,259 72.995,261 1.24,262 20.527,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.667,274 168,275 4.294,276 3.819,277 6.686,278 4.089,279 3.091,280 3.762,281 1.987,282 10.663,283 3.087,284 4.079,285 3.022,286 5.592,287 3.523,288 2.691,289 3.687,290 0.324,291 7.683,292 2.3,293 3.787,294 2.951,295 5.216,296 3.332,297 2.415,298 3.136,300 6.428,301 2.14,302 3.322,303 2.724,304 4.884,305 2.901,306 1.996,307 2.543,309 5.519,310 1.79,311 3.06,312 2.237,313 4.71,314 2.761,315 1.808,316 2.206,318 4.903,319 1.642,320 2.879,321 1.934,322 4.414,323 2.449,324 1.56,325 1.896,326 4.068,327 1.278,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.206,337 0.939,338 3.279,339 1.567,340 0.731,341 1.067,342 1.735,343 0.591,344 1.544,345 0.854,346 3.162,347 1.277,348 0.325,349 0.373,350 0.826,351 0.288,352 1.022,353 0.443,354 2.535,355 0.585,356 -0.29,357 -0.349,358 -0.723,359 -0.206,360 0.884,361 0.205,362 2,363 0.432,364 -0.484,365 -0.617,366 -1.135,367 -0.347,368 0.5,369 -0.114,370 1.936,372 -0.843,373 -1,374 -2,375 -0.572,376 0.413,377 -0.718,378 1.611,380 -1,381 -1.031,383 -2.006,384 -1,385 0.003,386 -1,387 1.586,388 -0.188,389 -1,390 -1.5,392 -3,393 -1,395 -1,396 1.559,397 -0.435,398 -1.302,399 -1.558,401 -3.126,402 -1.037,403 10.395,404 0.52,405 0.617,406 0.031,407 24.25,408 1.213,409 12,410 0.6,411 12.25,412 0.613,413 18.041,414 0.902,415 21.405,416 0.63,417 14.78,418 0.739,419 4.368,420 0.218,421 5.101,422 0.255,423 0.266,425 0.337,429 0.617,430 1.141,431 0.571,432 0.773,433 0.57,434 0.812,435 0.467,436 1.089,437 0.525,438 0.825,439 0.53,440 0.836,441 0.966,442 1.125,443 0.905,444 1.032,445 1.065,446 1.065,447 0.741,448 0.999,449 0.553,450 0.841,451 0.94,452 0.884,453 1.5,454 0.975,455 0.745,456 0.826,457 1.955,458 1.003,459 0.747,460 0.949,461 0.705,462 0.842,463 0.874,464 0.893,465 0.834,466 0.963,467 1.41,468 1.342,469 0.508,470 1.004,471 1.537,472 1.145,473 2.141,474 1.59,475 0.973,476 1.565,477 5,478 0.049,479 2.222,480 2.069,481 0.942,482 0.761,483 0.507,484 0.254,485 0.128,486 0.057,487 3394,488 13231,489 1.938,490 41.2,491 7,492 4,494 1,495 1,496 1,499 1.621,500 1.765,501 3.033,502 -0.222,504 1,507 62.368,508 1.834,509 3.687,510 4.22,511 4.337,512 4.337,513 4.337,514 2.504,515 3.684,516 4.293,517 3.164,518 601.213,519 7.353,520 6146.86,522 1,523 1,524 1,525 172.974,526 1.559,527 4.219,528 0.238,529 0.016,530 0.077,531 0.077,532 0.035,533 0.032,534 0.023,535 0.013,536 0.012,537 0.009,538 0.532,539 0.33,540 1,541 0.932,542 88.119,543 -0.046,544 -0.041,545 0.014,546 0.041,547 -0.057,548 0.023,549 0.213,550 -0.029,551 0.214,552 0.082,553 0.103,554 0.071,555 -0.063,556 -0.163,557 -0.098,558 -0.152,559 -0.084,560 -0.132,561 0.149,562 -0.06,563 0.118,564 0.003,565 0.15,566 0.073,567 -0.317,568 0.033,569 -0.11,570 0.014,571 -0.321,572 -0.123,573 0.086,574 0.003,575 0.139,576 0.146,577 0.049,578 0.126,579 0.048,580 0.124,581 -0.129,582 -0.072,583 0.14,584 0.055,585 -0.376,586 -0.272,587 -0.559,588 -0.484,589 -0.248,590 -0.538,591 1.756,592 5.428,593 0.55,594 13.74,595 1.013,596 1.115,597 3.813,598 14.541,599 0.74,600 3.091,601 3.401,602 3.584,603 3.807,604 3.807,605 3.784,606 3.85,607 3.664,608 3.497,609 3.219,610 4.998,611 0.685,612 329.27,613 3.091,614 4.615,615 5.434,616 6.301,617 7.136,618 8.006,619 8.849,620 9.718,621 10.565,622 11.434,623 5.9,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 34,650 12,651 1,652 21,654 35,655 14,656 9,657 2,658 4,660 2,661 2,662 2,663 2,671 10,672 4,673 2,674 1,677 1,680 1,682 1,684 14,685 3,686 1,687 6,688 3,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 2,724 20,730 1,733 2,737 1,740 2,741 2.9,744 1,747 11.333,748 6.652,749 4.417,750 2.021,751 1.73,752 1.286,753 0.942,754 5.272,755 7.778,756 3.35,757 3.907,758 4.358,759 4.879,760 5.116,761 5.123,762 5.38,763 5.329,764 5.324,765 5.497,766 0.833,767 27,768 7.369,770 3.066,771 7.878,772 13.867,774 11.091,776 2.378,777 47.556,781 153.024,782 109.446,783 34.796,784 78.297,785 25.145,787 31.278,788 78.168,789 256.467,790 34.796,791 17.65,792 18.011,793 37.905,794 58.406,795 17.908,796 39.149,797 172.531,798 39.149,799 153.024,800 112.964,801 25.145,802 109.575,804 153.024,805 25.145,807 46.883,808 49.296,809 55.934,810 70.426,811 153.024,812 59.941,813 187.743,815 153.024,816 44.843,817 64.603,818 18.011,819 120.228,820 153.024,821 59.941,822 187.743,823 0.585,824 0.327,825 0.176,826 0.083,827 13,828 7,829 0.114,830 4,832 1,833 3.141,834 142.358,836 11,837 80.439,838 1,840 15.581,841 6.767,842 4.095,844 59.941,845 8.858,846 4.039,849 1.244,850 2.653,851 18.011,852 400.708,853 27.5,856 12.428,859 -0.09,860 34.44,861 37.92,862 0.361,863 0.725,864 0.829,865 0.853,866 0.853,867 0.853,868 4.572,869 0.731,870 5.434,871 2.275,872 4.078,873 4.59,874 2.076,875 6.217,876 3.91,877 5.775,878 0.325,879 6.984,880 1.735,881 3.761,882 4.369,883 1.593,884 7.106,885 3.495,886 7.067,887 -0.29,888 8.631,889 0.826,890 5.645,891 6.684,892 3.1,893 10.167,894 5.384,895 8.389,896 -0.484,897 10.336,898 -0.723,899 6.089,900 7.202,901 3.168,902 11.912,903 5.791,904 9.737,905 -0.843,906 12.079,907 -1.135,908 7.495,909 9.023,910 4.312,911 14.513,912 7.204,913 11.103,914 -1,915 13.852,916 -2,917 8.288,918 9.893,919 4.654,920 16.627,921 8.004,922 12.483,923 -1,924 15.648,925 -2.006,926 9.508,927 11.488,928 5.601,929 19.071,930 9.234,931 3.091,932 -1.302,933 17.463,934 -3,935 10.468,936 12.545,937 6.091,938 21.338,939 10.217,940 2.691,941 10.663,942 19.294,943 -3.126,944 11.615,945 14.021,946 6.927,947 23.729,948 11.378,949 2.415,950 7.683,951 21.138,952 3.762,953 12.655,954 15.182,955 7.5,956 26.056,957 12.442,958 1.996,959 6.428,960 22.993,961 3.687,962 13.776,963 16.593,964 8.273,965 28.43,966 13.579,967 1.808,968 5.519,969 24.856,970 3.136,971 14.854,972 17.814,973 8.894,974 30.78,975 14.678,976 1.56,977 4.903,978 26.727,979 2.543,980 15.968,981 19.187,982 9.631,983 33.148,984 15.807,985 1,986 4.068,987 28.603,988 2.206,989 17.066,990 20.444,991 10.279,992 35.508,993 16.922,994 3490,995 7029,996 13.235,997 25.159,998 31.769,999 32.534,1000 33,1001 31.513,1002 31.236,1003 40.34,1004 4.622,1005 88.2,1006 28.232,1007 5.182,1008 5.819,1009 6.1,1010 5.204,1011 5.091,1012 6.762,1013 3.497,1014 17.402,1015 5.087,1016 11.931,1017 1.513,1018 1.549,1019 1.571,1020 1.501,1021 1.487,1022 1.921,1023 0.22,1024 4.2,1025 1.344,1026 3.974,1027 3.999,1028 4.318,1029 3.915,1030 7.428,1031 3.904,1032 3.805,1033 3.823,1034 4.008,1035 3.803,1036 4.998,1037 3.722,1038 3.634,1039 3.683,1040 3.659,1041 3.533,1042 4.936,1043 3.516,1044 3.283,1045 3.326,1046 3.318,1047 3.063,1048 4.395,1049 3.075,1050 2.874,1051 3.009,1052 3.222,1053 2.739,1054 4.341,1055 2.736,1056 2.864,1057 2.925,1058 3.059,1059 2.735,1060 4.124,1061 2.715,1062 2.854,1063 2.904,1064 2.687,1065 2.618,1066 3.692,1067 2.57,1068 2.508,1069 2.548,1070 2.593,1071 2.363,1072 3.674,1073 2.335,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.294,1080 0.179,1081 3.819,1082 0.095,1083 6.686,1084 0.508,1085 4.089,1086 0.147,1087 3.091,1088 3.762,1089 1.987,1090 10.663,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.365,1105 1.362,1106 1.477,1107 1.625,1108 0.571,1109 1.598,1110 1.334,1111 1.292,1112 1.417,1113 1.426,1114 0.487,1115 1.447,1116 1.037,1117 1.009,1118 1.348,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.136,1126 0.297,1127 1.189,1128 0.886,1129 0.804,1130 1.065,1131 1.062,1132 0.218,1133 1.107,1134 0.679,1135 0.669,1136 0.765,1137 0.84,1139 0.857,1140 3.761,1142 5.069,1143 2.398,1144 6.547,1145 4.595,1146 8.105,1147 6.529,1148 9.708,1150 4.015,1151 11.695,1156 2.808,1159 -0.096,1164 23.287,1165 62.368,1166 125.364,1167 143.464,1168 147.464,1169 147.464,1170 147.464,1171 40.904,1172 6.047,1173 41.99,1174 70.23,1175 11,1176 11.982,1177 3.7,1178 2.907,1179 36.263,1180 57,1181 60,1182 0.307,1183 158.094,1184 268.12,1185 377.508,1186 2528,1187 5.9,1188 14.698,1189 0.735,1190 0.669,1191 16.052,1192 13.389,1193 9.469,1194 0.451,1195 0.368,1196 6.232,1197 8.3,1198 5.86,1199 4.911,1200 10.455,1201 7.72,1202 8.839,1203 0.305,1204 0.236,1205 10.512,1206 6.83,1207 6.54,1208 0.187,1209 0.119,1210 7.805,1211 4.168,1212 5.559,1213 0.126,1214 0.067,1215 6.759,1216 2.946,1217 3.581,1218 0.081,1219 0.038,1220 4.517,1221 1.658,1222 0.468,1223 68.688,1224 0.275,1225 19.795,1226 0.88,1227 100,1228 312.981,1229 170.338,1230 386.116,1231 496.46,1232 356,1233 114,1234 292.823,1235 158.317,1236 333.812,1237 485.45,1238 312,1239 6.155}
{0 CHEMBL611340,1 1.953,2 9.333,3 4.922,4 24.221,5 89.343,6 9.421,7 0.44,8 3.783,9 3.885,10 3.567,11 3.381,12 4.992,13 3.343,14 4.346,15 4.498,16 4.101,17 3.779,18 6.042,19 3.732,20 4.552,21 4.699,22 4.097,23 3.916,24 5.814,25 3.835,26 4.807,27 5.066,28 4.027,29 3.89,30 6.09,31 3.813,32 4.621,33 4.809,34 3.84,35 3.834,36 5.939,37 3.748,38 4.678,39 4.926,40 3.9,41 3.883,42 5.747,43 3.722,44 4.516,45 4.728,46 3.988,47 3.767,48 6.053,49 3.615,50 4.218,51 4.383,52 3.468,53 3.482,54 5.473,55 3.348,56 0.163,57 0.777,58 5.425,59 4.057,60 27.645,61 4.256,62 0.866,63 1.571,64 15.379,65 7.05,66 151.768,67 7.762,68 0.489,69 1.466,70 22.76,71 9.643,72 64.506,73 9.877,74 1.01,75 1.478,76 35.782,77 11.076,78 138.425,79 14.104,80 0.855,81 1.212,82 20.377,83 8.019,84 101.855,85 8.977,86 0.761,87 1.276,88 29.819,89 10.79,90 114.423,91 12.916,92 0.965,93 1.108,94 36.861,95 10.106,96 165.848,97 10.504,98 0.569,99 0.965,100 26.512,101 7.306,102 82.539,103 7.244,104 69,105 38,106 0.351,107 0.676,108 0.731,109 0.749,110 0.749,111 0.749,112 3.228,113 0.992,114 -5.64,115 -5.51,116 -5.14,118 40,119 3,121 1,122 1,127 1,131 4,132 1,133 1,134 1,140 1,142 1,146 1,154 9,157 2,159 2,161 2,162 15,166 2,170 2,171 11,174 1,175 7,179 5,181 10,185 4,188 2,190 9,194 5,198 6,201 3,205 1,207 5,219 1,221 1,224 822,225 14.668,226 14.668,227 14.668,228 14.668,229 14.668,230 13.23,231 17.329,232 8.24,233 15.335,234 12.323,235 12.323,236 12.323,237 12.323,238 12.323,239 10.14,240 22.94,241 3.913,242 13.59,243 3.369,244 1.558,245 1.251,246 1.151,247 1.151,248 1.151,249 3.874,250 1,253 1,254 454,255 4.583,258 78.57,259 91.313,261 1.389,262 43.895,265 0.75,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.86,273 54.833,274 224,275 4.518,276 4.461,277 7.378,278 4.432,279 3.431,280 3.922,281 3.825,282 12.793,283 3.433,284 4.461,285 3.904,286 7.118,287 4.151,288 3.326,289 3.794,290 1.987,291 11.699,292 2.724,293 3.907,294 3.118,295 5.736,296 3.537,297 2.581,298 3.321,299 0.324,300 7.788,301 2.493,302 3.813,303 2.917,304 5.472,305 3.407,306 2.518,307 3.038,309 7.273,310 2.251,311 3.462,312 2.611,313 5.096,314 3.087,315 2.175,316 2.629,318 6.105,319 1.899,320 3.246,321 2.398,322 4.827,323 2.784,324 1.842,325 2.443,326 5.251,327 1.651,328 2.665,329 1.727,330 4.391,331 2.201,332 1.319,333 1.703,334 3.942,335 1.133,336 2.5,337 1.055,338 3.61,339 2,340 1,341 1.5,342 2.275,343 1,344 2.167,345 1,346 3.414,347 1.518,348 0.689,349 1.01,350 1.693,351 0.561,352 1.645,353 0.751,354 3.275,355 1.349,356 0.392,357 0.46,358 1.106,359 0.353,360 0.992,361 0.51,362 2.756,363 0.575,364 -0.315,365 -0.378,366 -0.794,367 -0.229,368 0.903,369 0.51,370 2.539,371 0.438,372 -0.501,373 -0.664,374 -1.235,375 -0.445,376 0.5,377 0.425,378 2.428,380 -1,381 -1,383 -3,384 -0.7,385 0.094,386 0.166,387 2,389 -1,390 -1,392 -3,393 -0.7,395 -0.643,396 2,398 -1,399 -1,401 -3,402 -1,403 11.538,404 0.481,405 1.105,406 0.046,407 26.75,408 1.115,409 12,410 0.5,411 14.75,412 0.615,413 24.457,414 1.019,415 27.462,416 0.687,417 20.765,418 0.865,419 4.968,420 0.207,421 6.013,422 0.251,423 0.295,424 0.087,425 0.26,426 3,429 0.56,430 0.954,431 0.599,432 0.895,433 0.593,434 0.897,435 0.352,436 0.685,437 0.559,438 0.803,439 0.359,440 0.779,441 0.621,442 1.08,443 0.991,444 1.411,445 0.642,446 1.353,447 0.559,448 0.65,449 0.546,450 0.724,451 0.592,452 0.761,453 0.77,454 0.515,455 0.833,456 0.824,457 0.877,458 1.11,459 0.585,460 0.685,461 0.746,462 0.821,463 0.596,464 0.948,465 0.458,466 0.727,467 1.443,468 1.323,469 0.322,470 0.985,471 1.247,472 1.163,473 2.211,474 1.615,475 1.094,476 1.62,477 8.5,478 0.082,479 3.556,480 2.75,481 1.717,482 0.955,483 0.818,484 0.357,485 0.449,486 0.137,487 5402,488 23739,489 1.861,490 40,491 9,492 4,494 1,495 1,496 1,499 1.672,500 1.655,501 3.141,502 -0.219,507 78.122,508 1.953,509 3.763,510 4.071,511 4.171,512 4.171,513 4.171,514 2.62,515 3.855,516 4.557,517 3.352,518 925.16,519 7.881,520 10804.6,522 1,525 212.877,526 1.855,527 4.433,528 0.34,529 0.009,530 0.094,531 0.079,532 0.046,533 0.032,534 0.029,535 0.013,536 0.025,537 0.007,538 0.673,539 0.33,540 0.88,541 1.018,542 113.258,543 -0.032,544 -0.034,545 0.018,546 0.037,547 -0.086,548 0.022,549 0.444,550 0.325,551 0.23,552 0.174,553 0.437,554 0.17,555 -0.004,556 -0.276,557 -0.11,558 -0.407,559 -0.031,560 -0.373,561 0.153,562 0.026,563 0.265,564 0.108,565 0.118,566 0.269,567 -0.086,568 0.124,569 -0.174,570 -0.02,571 -0.13,572 -0.212,573 0.018,574 -0.035,575 0.156,576 0.123,577 -0.011,578 0.118,579 0.25,580 0.042,581 -0.063,582 -0.039,583 0.337,584 0.096,585 -0.276,586 -0.213,587 -0.724,588 -0.525,589 -0.248,590 -0.599,591 5.722,592 5.645,593 0.458,594 18.25,595 1.036,596 1.146,597 4.411,598 19.456,599 0.691,600 3.258,601 3.664,602 3.784,603 4.007,604 4.043,605 4.094,606 4.127,607 4.025,608 4.043,609 3.829,610 5.673,611 0.667,612 376.86,613 3.258,614 4.844,615 5.666,616 6.578,617 7.422,618 8.331,619 9.185,620 10.09,621 10.95,622 11.853,623 5,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 1,649 40,650 12,651 1,652 25,654 41,655 16,656 9,657 2,658 4,660 2,661 2,662 1,663 4,664 1,668 1,671 10,672 6,673 1,674 1,677 1,680 1,683 3,684 16,685 6,686 1,687 8,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 3,722 1,723 3,724 24,730 1,733 1,735 2,737 1,740 4,741 2.5,744 1,747 14.5,748 8.105,749 4.972,750 2.211,751 1.738,752 1.271,753 0.925,754 5.485,755 8.163,756 3.481,757 4.073,758 4.49,759 5.017,760 5.294,761 5.416,762 5.594,763 5.614,764 5.633,765 5.815,766 1,767 35,768 9.352,770 4.464,771 8.442,772 16.065,774 13.048,776 2.942,777 70.611,780 1,781 176.567,782 125.715,783 34.796,784 39.149,785 25.145,786 44.88,787 31.278,788 94.438,789 240.86,790 79.677,791 26.476,792 18.011,793 37.905,794 58.406,795 61.115,796 1.358,797 196.073,798 46.908,799 176.567,800 129.234,801 70.025,802 70.426,804 176.567,805 70.025,807 61.794,808 50.654,809 55.934,810 31.278,811 221.447,812 59.941,813 164.864,815 184.326,816 44.528,817 73.428,818 18.011,819 125.959,820 176.567,821 104.822,822 164.864,823 0.614,824 0.321,825 0.159,826 0.078,827 18,828 10,829 0.098,830 4,832 1,833 3.351,834 188.786,836 11,837 96.529,838 1,840 19.045,841 6.912,842 4.861,844 104.822,845 7.54,846 3.64,849 0.405,850 0.353,851 18.011,852 446.252,853 31.5,856 12.645,859 -0.409,860 41.422,861 45.826,862 0.367,863 0.707,864 0.765,865 0.784,866 0.784,867 0.784,868 4.777,869 1,870 5.778,871 3.942,872 4.344,873 4.758,874 3.326,875 6.686,876 4.175,877 6.045,878 0.689,879 7.422,880 2.275,881 4.443,882 4.796,883 3.979,884 8.109,885 4.164,886 7.399,887 0.392,888 9.186,889 1.693,890 6.142,891 6.901,892 5.51,893 11.08,894 5.848,895 8.782,896 -0.315,897 11.018,898 1.106,899 6.938,900 7.601,901 6.718,902 13.228,903 6.566,904 10.19,905 -0.501,906 12.893,907 -0.794,908 8.282,909 9.3,910 8.081,911 15.877,912 7.897,913 11.615,914 -1,915 14.797,916 -1.235,917 9.335,918 10.295,919 9.397,920 18.271,921 8.908,922 13.054,923 -1,924 16.723,925 -3,926 10.581,927 11.824,928 10.74,929 20.832,930 10.142,931 3.431,932 -1,933 18.663,934 -3,935 11.732,936 12.972,937 12.077,938 23.311,939 11.276,940 3.326,941 12.793,942 20.614,943 -3,944 12.952,945 14.417,946 13.418,947 25.847,948 12.491,949 2.581,950 11.699,951 22.574,952 3.922,953 14.142,954 15.651,955 14.759,956 28.356,957 13.676,958 2.518,959 7.788,960 24.54,961 3.794,962 15.358,963 17.053,964 16.1,965 30.886,966 14.892,967 2.175,968 7.273,969 26.511,970 3.321,971 16.565,972 18.336,973 17.441,974 33.408,975 16.101,976 1.842,977 6.105,978 28.486,979 3.038,980 17.781,981 19.714,982 18.783,983 35.938,984 17.322,985 1.319,986 5.251,987 30.463,988 2.629,989 18.995,990 21.026,991 20.125,992 38.466,993 18.543,994 5600,995 11988,996 14.909,997 27.637,998 39.569,999 39.047,1000 39.834,1001 38.771,1002 38.548,1003 47.641,1004 12.272,1005 119.848,1006 34.998,1007 5.413,1008 6.461,1009 6.792,1010 5.558,1011 5.431,1012 6.922,1013 5.335,1014 20.421,1015 5.433,1016 17.133,1017 1.583,1018 1.562,1019 1.593,1020 1.551,1021 1.542,1022 1.906,1023 0.491,1024 4.794,1025 1.4,1026 3.99,1027 4.016,1028 4.248,1029 3.929,1030 8.513,1031 3.917,1032 3.853,1033 3.872,1034 4.01,1035 3.822,1036 7.999,1037 3.759,1038 3.694,1039 3.74,1040 3.696,1041 3.602,1042 7.999,1043 3.586,1044 3.374,1045 3.421,1046 3.356,1047 3.113,1048 7.428,1049 3.143,1050 3.139,1051 3.182,1052 3.27,1053 2.829,1054 4.939,1055 2.874,1056 2.874,1057 3.009,1058 3.123,1059 2.735,1060 4.812,1061 2.715,1062 2.874,1063 3.009,1064 2.687,1065 2.637,1066 4.386,1067 2.674,1068 2.854,1069 2.925,1070 2.596,1071 2.618,1072 4.199,1073 2.57,1074 0.181,1075 0.178,1076 0.295,1077 0.177,1078 0.137,1079 4.518,1080 0.157,1081 4.461,1082 0.153,1083 7.378,1084 0.512,1085 4.432,1086 0.137,1087 3.431,1088 3.922,1089 3.825,1090 12.793,1091 3.433,1092 1.953,1093 1.929,1094 2.076,1095 2.041,1096 1.344,1097 2.055,1098 1.708,1099 1.665,1100 1.898,1101 1.834,1102 1.021,1103 1.863,1104 1.477,1105 1.478,1106 1.51,1107 1.68,1108 0.677,1109 1.624,1110 1.377,1111 1.326,1112 1.427,1113 1.624,1114 0.545,1115 1.601,1116 1.05,1117 1.021,1118 1.417,1119 1.259,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.417,1125 1.239,1126 0.469,1127 1.308,1128 0.934,1129 0.804,1130 1.181,1131 1.239,1132 0.295,1133 1.233,1134 0.886,1135 0.804,1136 1.1,1137 1.062,1138 0.218,1139 1.107,1140 3.932,1142 5.313,1143 2.398,1144 6.851,1145 4.595,1146 8.462,1147 6.605,1148 10.113,1150 5.651,1151 5.87,1152 37.903,1156 2.49,1159 -0.562,1161 -4.914,1164 26.663,1165 78.122,1166 150.538,1167 162.838,1168 166.838,1169 166.838,1170 166.838,1171 78.198,1172 6.425,1173 41.99,1174 70.23,1175 11,1176 12.381,1177 3.7,1178 2.907,1179 48.287,1180 80,1181 80,1182 0.297,1183 172.54,1184 305.72,1185 412.757,1186 4103,1187 10,1188 18.121,1189 0.755,1190 0.617,1191 16.475,1192 14.812,1193 10.981,1194 0.439,1195 0.331,1196 7.055,1197 9.76,1198 6.677,1199 5.572,1200 10.467,1201 8.271,1202 11.867,1203 0.312,1204 0.206,1205 11.072,1206 7.834,1207 7.653,1208 0.178,1209 0.106,1210 7.634,1211 4.556,1212 6.418,1213 0.119,1214 0.058,1215 6.748,1216 3.153,1217 4.238,1218 0.076,1219 0.032,1220 4.338,1221 1.764,1222 0.457,1223 76.835,1224 0.259,1225 23.166,1226 0.84,1227 126,1228 571.111,1229 191.316,1230 521.892,1231 657.2,1232 478,1233 144,1234 408.96,1235 196.637,1236 423.694,1237 635.76,1238 393,1239 5.824}
{0 CHEMBL611632,1 1.632,2 8.4,3 2.722,4 7.411,5 78.391,6 8.05,7 0.571,8 3.658,9 3.779,10 3.283,11 3.234,12 4.806,13 3.199,14 4.157,15 4.332,16 3.627,17 3.596,18 5.263,19 3.531,20 4.422,21 4.624,22 3.675,23 3.734,24 5.503,25 3.639,26 4.5,27 4.735,28 3.618,29 3.692,30 5.627,31 3.593,32 4.476,33 4.685,34 3.529,35 3.649,36 5.693,37 3.564,38 4.466,39 4.724,40 3.486,41 3.631,42 5.461,43 3.494,44 4.299,45 4.549,46 3.521,47 3.483,48 5.424,49 3.352,50 4.074,51 4.329,52 2.936,53 3.238,54 5.062,55 3.048,56 0.02,57 0.514,58 6.556,59 3.107,60 6.165,61 4.109,62 0.14,63 0.79,64 12.894,65 5.246,66 21.373,67 7.106,68 0.235,69 0.949,70 20.165,71 7.012,72 36.509,73 9.272,74 0.237,75 0.967,76 22.797,77 7.731,78 42.22,79 10.514,80 0.379,81 0.957,82 19.754,83 6.604,84 65.834,85 8.493,86 0.225,87 0.921,88 22.572,89 7.555,90 40.495,91 10.425,92 0.323,93 0.782,94 20.973,95 5.893,96 44.734,97 8.204,98 0.257,99 0.586,100 21.382,101 5.035,102 32.245,103 6.808,104 18,105 28,106 0.299,107 0.64,108 0.762,109 0.807,110 0.817,111 0.817,112 3.058,113 0.968,114 -3.89,115 -3.84,116 -3.65,118 41.7,119 2,121 2,131 4,132 1,133 1,134 3,136 1,142 1,154 8,157 1,159 2,161 1,162 12,165 1,166 2,168 1,170 2,171 10,174 1,175 5,179 4,181 7,184 1,185 5,188 2,190 5,194 6,198 1,201 7,205 1,207 2,211 2,219 1,224 534,225 13.19,226 13.19,227 13.19,228 13.19,229 13.19,230 11.557,231 12.875,232 7.943,233 13.494,234 10.351,235 10.351,236 10.351,237 10.351,238 10.351,239 8.004,240 16.869,241 3.764,242 10.878,243 3.538,244 1.678,245 1.007,246 0.764,247 0.709,248 0.709,249 3.712,250 1,252 1,253 1,254 346,255 3.391,259 146.417,261 1.24,262 18.994,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 42.833,274 168,275 4.288,276 3.818,277 6.685,278 4.09,279 3.089,280 3.738,281 1.987,282 10.662,283 3.089,284 3.929,285 2.971,286 5.444,287 3.483,288 2.544,289 3.471,290 0.324,291 7.222,292 2.385,293 3.748,294 2.752,295 5.18,296 3.311,297 2.386,298 3.107,300 6.35,301 2.194,302 3.26,303 2.506,304 4.807,305 2.807,306 1.844,307 2.485,309 5.18,310 1.782,311 2.972,312 1.935,313 4.562,314 2.758,315 1.779,316 2.073,318 4.374,319 1.641,320 2.812,321 1.519,322 3.592,323 2.333,324 1.375,325 1.866,326 2.981,327 1.31,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.5,337 1,338 3.247,339 1.916,340 1,341 1.5,342 2.136,343 0.914,344 1.548,345 0.924,346 3.142,347 1.3,348 0.341,349 0.39,350 0.865,351 0.309,352 1.177,353 0.48,354 2.529,355 0.75,356 -0.202,357 -0.255,358 -0.473,359 -0.169,360 0.885,361 0.193,362 2,363 0.44,364 -0.456,365 -0.578,366 -1.046,367 -0.361,368 0.5,369 -0.567,370 1.936,372 -1,373 -1,374 -2,375 -0.929,376 0.5,377 -0.885,378 1.593,380 -1,381 -1.417,383 -2.258,384 -0.976,385 0.464,386 -1,387 1.559,388 -0.02,389 -1,390 -1.5,392 -2.347,393 -1,395 -1,396 1.555,397 -0.065,398 -1,399 -1.5,401 -3,402 -1,403 9.748,404 0.487,405 0.511,406 0.026,407 26.5,408 1.325,409 14,410 0.7,411 12.5,412 0.625,413 15.153,414 0.758,415 21.452,416 0.596,417 17.239,418 0.862,419 5.072,420 0.254,421 4.503,422 0.225,423 0.21,425 0.308,429 0.66,430 1.339,431 0.625,432 0.993,433 0.584,434 0.935,435 0.602,436 1.108,437 0.677,438 0.934,439 0.576,440 0.933,441 1.03,442 0.989,443 0.997,444 1.039,445 1.1,446 1.048,447 0.912,448 1.058,449 0.795,450 1.016,451 1.001,452 0.951,453 1.67,454 0.976,455 0.877,456 0.911,457 2.152,458 1.036,459 0.906,460 1.01,461 0.794,462 0.924,463 1.003,464 0.936,465 0.852,466 0.987,467 1.003,468 0.96,469 0.659,470 0.971,471 1.416,472 0.84,473 2.025,474 1.242,475 0.887,476 1.22,477 4,478 0.025,479 2,480 1.688,481 1.013,482 0.688,483 0.548,484 0.097,485 0.122,486 0.062,487 3437,488 10998,489 1.966,490 44.4,491 7,492 4,494 3,495 1,496 1,499 1.622,500 1.818,501 3.04,502 -0.271,503 1,504 1,506 1,507 58.759,508 1.632,509 3.492,510 4.163,511 4.406,512 4.461,513 4.461,514 2.504,515 3.622,516 4.293,517 3.165,518 601.264,519 7.354,520 6155.25,521 1,522 1,523 1,524 1,525 186.117,526 1.485,527 4.237,528 0.19,529 0.008,530 0.071,531 0.06,532 0.038,533 0.029,534 0.025,535 0.005,536 0.011,537 0.01,538 0.448,539 0.67,540 1,541 0.897,542 88.143,543 -0.037,544 -0.159,545 0.013,546 -0.041,547 -0.045,548 -0.008,549 0.129,550 -0.008,551 0.064,552 0.014,553 0.081,554 0.01,555 -0.063,556 0.03,557 -0.098,558 -0.076,559 -0.101,560 -0.096,561 0.066,562 -0.124,563 0.053,564 -0.055,565 0.144,566 0.029,567 -0.268,568 0.023,569 -0.172,570 -0.02,571 -0.283,572 -0.143,573 -0.031,574 -0.097,575 0.076,576 0.042,577 -0.047,578 0.06,579 0.104,580 -0.016,581 0.083,582 0.003,583 0.117,585 -0.349,586 0.094,587 -0.491,588 -0.204,589 -0.247,590 -0.223,591 1.761,592 5.428,593 0.6,594 13.83,595 1.004,596 1.127,597 2.658,598 7.063,599 0.685,600 3.091,601 3.367,602 3.555,603 3.761,604 3.85,605 3.761,606 3.807,607 3.611,608 3.434,609 3.367,610 5.001,611 0.647,612 289.79,613 3.091,614 4.595,615 5.407,616 6.26,617 7.089,618 7.948,619 8.785,620 9.645,621 10.487,622 11.348,623 8.3,628 1,631 2,633 7,634 2,638 3,639 12,648 1,649 36,650 13,651 1,652 21,654 37,655 15,656 10,657 2,658 4,660 2,661 2,662 1,663 2,671 11,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 16,685 4,686 1,687 5,688 1,691 3,692 1,693 1,696 1,704 2,709 1,717 2,721 2,722 1,724 20,730 1,733 2,740 1,741 2.8,744 1,747 11,748 6.96,749 4.5,750 2.147,751 1.939,752 1.321,753 0.933,754 4.83,755 7.989,756 3.367,757 3.892,758 4.344,759 4.848,760 5.281,761 5.153,762 5.382,763 5.455,764 5.34,765 5.668,766 0.833,767 28,768 7.36,770 3.02,771 7.847,772 13.853,774 10.882,776 2.347,777 46.944,781 176.567,782 96.416,783 51.582,784 39.149,785 25.145,788 96.416,789 240.86,790 51.582,791 17.65,792 18.011,793 37.905,794 98.734,795 33.828,796 2.328,797 141.253,798 39.149,799 176.567,800 147.998,801 25.145,802 39.149,804 176.567,805 25.145,807 62.803,808 51.624,809 72.72,811 176.567,812 76.727,813 135.565,815 176.567,816 13.719,817 82.698,818 18.011,819 97.865,820 176.567,821 76.727,822 135.565,823 0.574,824 0.323,825 0.175,826 0.089,827 12,828 6,829 0.108,830 4,832 1,833 3.172,834 141.222,836 12,837 80.439,840 14.639,841 6.599,842 3.864,844 76.727,845 11.977,846 7.984,850 2.05,851 18.011,852 388.858,853 28,856 12.428,859 -0.095,860 36.142,861 40.555,862 0.316,863 0.675,864 0.805,865 0.852,866 0.863,867 0.863,868 4.564,869 1,870 5.38,871 2.275,872 4.043,873 4.575,874 2.076,875 6.142,876 3.96,877 5.745,878 0.341,879 6.913,880 2.136,881 3.611,882 4.182,883 1.593,884 7.013,885 3.489,886 7.017,887 -0.202,888 8.55,889 0.865,890 5.58,891 6.63,892 3.1,893 10.092,894 5.447,895 8.321,896 -0.456,897 10.252,898 -0.473,899 5.943,900 6.953,901 3.168,902 11.85,903 5.809,904 9.652,905 -1,906 11.997,907 -1.046,908 7.41,909 8.928,910 4.312,911 14.46,912 7.265,913 11.004,914 -1,915 13.775,916 -2,917 8.157,918 9.607,919 4.654,920 16.588,921 8.034,922 12.371,923 -1,924 15.577,925 -2.258,926 9.414,927 11.343,928 5.601,929 19.039,930 9.284,931 3.089,932 -1,933 17.4,934 -2.347,935 10.351,936 12.23,937 6.091,938 21.314,939 10.248,940 2.544,941 10.662,942 19.238,943 -3,944 11.52,945 13.821,946 6.927,947 23.71,948 11.416,949 2.386,950 7.222,951 21.089,952 3.738,953 12.552,954 14.841,955 7.5,956 26.041,957 12.47,958 1.844,959 6.35,960 22.95,961 3.471,962 13.686,963 16.338,964 8.273,965 28.418,966 13.608,967 1.779,968 5.18,969 24.819,970 3.107,971 14.764,972 17.448,973 8.894,974 30.771,975 14.702,976 1.375,977 4.374,978 26.694,979 2.485,980 15.887,981 18.882,982 9.631,983 33.141,984 15.831,985 1,986 2.981,987 28.574,988 2.073,989 16.988,990 20.054,991 10.279,992 35.503,993 16.943,994 3509,995 6375,996 13.523,997 24.659,998 31.113,999 31.984,1000 32.148,1001 30.856,1002 30.719,1003 40.258,1004 4.622,1005 84.09,1006 29.249,1007 5.167,1008 5.818,1009 6.487,1010 5.158,1011 5.089,1012 6.738,1013 3.497,1014 17.39,1015 5.089,1016 10.53,1017 1.482,1018 1.523,1019 1.531,1020 1.469,1021 1.463,1022 1.917,1023 0.22,1024 4.004,1025 1.393,1026 3.975,1027 4.005,1028 4.014,1029 3.909,1030 7.428,1031 3.902,1032 3.818,1033 3.872,1034 3.801,1035 3.642,1036 5.006,1037 3.668,1038 3.637,1039 3.689,1040 3.621,1041 3.522,1042 4.936,1043 3.511,1044 3.303,1045 3.356,1046 3.223,1047 3.072,1048 4.356,1049 3.088,1050 2.914,1051 3.009,1052 3.166,1053 2.801,1054 4.128,1055 2.79,1056 2.874,1057 2.967,1058 2.687,1059 2.735,1060 4.076,1061 2.715,1062 2.854,1063 2.925,1064 2.682,1065 2.618,1066 3.854,1067 2.592,1068 2.745,1069 2.8,1070 2.523,1071 2.591,1072 3.674,1073 2.57,1074 0.204,1075 0.182,1076 0.318,1077 0.195,1078 0.147,1079 4.288,1080 0.178,1081 3.818,1082 0.095,1083 6.685,1084 0.508,1085 4.09,1086 0.147,1087 3.089,1088 3.738,1089 1.987,1090 10.662,1091 3.089,1092 1.943,1093 1.919,1094 2.06,1095 2.039,1096 1.319,1097 2.046,1098 1.738,1099 1.686,1100 1.869,1101 1.934,1102 0.999,1103 1.913,1104 1.641,1105 1.589,1106 1.83,1107 1.79,1108 0.754,1109 1.822,1110 1.215,1111 1.165,1112 1.417,1113 1.487,1114 0.511,1115 1.462,1116 0.934,1117 0.847,1118 1.402,1119 1.239,1120 0.469,1121 1.308,1122 0.899,1123 0.821,1124 1.181,1125 1.071,1126 0.225,1127 1.107,1128 0.886,1129 0.804,1130 1.136,1131 1.062,1132 0.218,1133 1.102,1134 0.69,1135 0.652,1136 0.907,1137 0.921,1139 0.931,1140 3.761,1142 5.043,1144 6.521,1146 8.084,1148 9.69,1150 4.019,1151 5.886,1156 2.791,1159 -0.095,1164 23.294,1165 58.759,1166 125.711,1167 149.853,1168 158.608,1169 160.608,1170 160.608,1171 37.784,1172 6.05,1173 54.88,1174 54.88,1175 12,1176 11.902,1177 3.807,1178 3,1179 36.239,1180 57,1181 60,1182 0.305,1183 152.089,1184 260.06,1185 362.857,1186 2599,1187 2.8,1188 14.535,1189 0.727,1190 0.607,1191 15.035,1192 12.133,1193 9.575,1194 0.456,1195 0.323,1196 6.366,1197 8.994,1198 6.104,1199 5.145,1200 9.864,1201 6.778,1202 8.558,1203 0.306,1204 0.189,1205 8.967,1206 5.29,1207 6.462,1208 0.19,1209 0.095,1210 6.75,1211 3.245,1212 5.443,1213 0.13,1214 0.052,1215 5.609,1216 2.203,1217 3.845,1218 0.084,1219 0.029,1220 4.059,1221 1.313,1222 0.466,1223 62.567,1224 0.272,1225 19.837,1226 0.876,1227 98,1228 297.562,1229 120.951,1230 321.648,1231 421.13,1232 298,1233 111,1234 278.33,1235 127.997,1236 293.704,1237 420.81,1238 275,1239 5.244}
{0 CHEMBL611647,1 1.737,2 7.684,3 3.482,4 12.122,5 79.017,6 8.671,7 0.55,8 3.602,9 3.709,10 3.352,11 3.26,12 4.715,13 3.182,14 4.105,15 4.263,16 3.732,17 3.623,18 5.184,19 3.519,20 4.339,21 4.532,22 3.626,23 3.692,24 5.38,25 3.565,26 4.434,27 4.659,28 3.677,29 3.674,30 5.569,31 3.562,32 4.424,33 4.627,34 3.58,35 3.657,36 5.61,37 3.541,38 4.409,39 4.656,40 3.604,41 3.667,42 5.37,43 3.468,44 4.197,45 4.428,46 3.56,47 3.52,48 5.27,49 3.3,50 3.816,51 4.013,52 2.785,53 3.134,54 4.79,55 2.864,56 0.017,57 0.471,58 6.06,59 3.199,60 5.248,61 3.963,62 0.144,63 0.767,64 13.936,65 5.571,66 18.56,67 7.061,68 0.163,69 0.873,70 20.516,71 7.362,72 30.35,73 8.98,74 0.246,75 0.939,76 22.643,77 7.877,78 38.892,79 9.909,80 0.3,81 0.957,82 19.694,83 7.197,84 54.521,85 8.286,86 0.226,87 0.933,88 24.334,89 8.55,90 39.123,91 10.344,92 0.323,93 0.79,94 28.421,95 7.921,96 36.75,97 8.517,98 0.156,99 0.462,100 19.673,101 5.185,102 20.492,103 6.062,104 18,105 27,106 0.323,107 0.676,108 0.785,109 0.807,110 0.807,111 0.807,112 3.01,113 1.094,114 -4.53,115 -4.45,116 -4.19,118 41.2,119 2,121 2,131 4,132 1,133 1,134 1,139 1,142 1,146 1,154 8,157 2,159 2,161 2,162 12,166 2,170 2,171 10,174 1,175 6,179 4,181 8,185 4,188 2,190 7,194 4,198 5,201 3,205 1,207 4,219 1,221 1,224 469,225 12.483,226 12.483,227 12.483,228 12.483,229 12.483,230 10.98,231 12.875,232 7.443,233 12.949,234 9.851,235 9.851,236 9.851,237 9.851,238 9.851,239 7.671,240 16.869,241 3.514,242 10.654,243 3.35,244 1.456,245 0.868,246 0.75,247 0.75,248 0.75,249 3.659,250 1,252 1,253 1,254 301,255 3.391,258 60.387,259 68.48,261 1.247,262 17.221,264 1,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 40.333,274 146,275 4.289,276 3.818,277 6.685,278 4.089,279 3.09,280 3.739,281 1.987,282 10.662,283 3.087,284 3.945,285 2.972,286 5.452,287 3.443,288 2.559,289 3.501,290 0.324,291 7.244,292 2.292,293 3.753,294 2.755,295 5.182,296 3.293,297 2.39,298 3.109,300 6.354,301 2.111,302 3.253,303 2.524,304 4.809,305 2.789,306 1.839,307 2.472,309 5.186,310 1.742,311 2.947,312 1.935,313 4.565,314 2.756,315 1.772,316 1.976,318 4.38,319 1.639,320 2.558,321 1.318,322 3.449,323 2.057,324 1.131,325 1.56,326 2.496,327 1.031,328 2.5,329 1,330 3.414,331 2,332 1,333 1.5,334 2.275,335 1,336 2.118,337 0.92,338 3.058,339 1.416,340 0.618,341 0.927,342 1.372,343 0.486,344 1.542,345 0.618,346 3,347 1.274,348 0.314,349 0.364,350 0.787,351 0.282,352 0.971,353 0.402,354 2.441,355 0.556,356 -0.337,357 -0.404,358 -0.819,359 -0.245,360 0.882,361 0.114,362 2,363 0.429,364 -0.525,365 -0.705,366 -1.237,367 -0.481,368 0.5,369 -0.706,370 1.904,372 -1,373 -1,374 -2,375 -1,376 0.015,377 -1,378 1.563,380 -1,381 -1.5,383 -3,384 -1,386 -1,387 1.537,388 -0.409,389 -1.301,390 -1.558,392 -3.066,393 -1.037,394 -0.08,395 -1.086,396 1.112,397 -0.57,398 -1.398,399 -1.802,401 -3.177,402 -1.229,403 9.681,404 0.51,405 0.511,406 0.027,407 23.5,408 1.237,409 12,410 0.632,411 11.5,412 0.605,413 15.92,414 0.838,415 20.319,416 0.598,417 14.225,418 0.749,419 4.274,420 0.225,421 4.801,422 0.253,423 0.212,425 0.31,429 0.64,430 1.144,431 0.635,432 0.838,433 0.578,434 0.87,435 0.485,436 1.103,437 0.721,438 0.976,439 0.537,440 0.924,441 1.07,442 1.109,443 0.965,444 1.028,445 1.118,446 1.066,447 0.927,448 0.976,449 0.672,450 0.854,451 1.044,452 0.891,453 1.7,454 0.967,455 0.799,456 0.834,457 2.083,458 0.998,459 0.963,460 0.941,461 0.839,462 0.858,463 1.064,464 0.921,465 0.802,466 0.969,467 1.56,468 1.384,469 0.434,470 1.027,471 1.379,472 1.194,473 2.244,474 1.698,475 0.917,476 1.69,477 4,478 0.02,479 2,480 1.722,481 0.897,482 0.681,483 0.477,484 0.129,485 0.079,486 0.047,487 2955,488 9918,489 1.965,490 44.1,491 7,492 4,493 1,494 1,495 1,496 1,499 1.607,500 1.81,501 2.928,502 -0.249,504 1,506 1,507 59.067,508 1.737,509 3.631,510 4.22,511 4.337,512 4.337,513 4.337,514 2.431,515 3.722,516 4.219,517 3.074,518 525.706,519 7.208,520 5182.48,521 1,522 1,523 1,524 1,525 172.974,526 1.509,527 4.159,528 0.2,529 0.01,530 0.074,531 0.069,532 0.035,533 0.03,534 0.024,535 0.008,536 0.011,537 0.012,538 0.471,539 0.5,540 1,541 0.92,542 81.822,543 -0.038,544 -0.043,545 0.031,546 0.043,547 -0.054,548 0.024,549 0.218,550 -0.045,551 0.082,552 -0.03,553 0.098,554 0.012,555 -0.117,556 -0.149,557 -0.119,558 -0.134,559 -0.102,560 -0.124,561 0.097,562 -0.051,563 0.085,564 -0.007,565 0.138,566 0.054,567 -0.325,568 0.029,569 -0.121,570 0.006,571 -0.289,572 -0.12,573 -0.067,574 -0.001,575 0.079,576 0.13,577 -0.101,578 0.076,579 0.105,580 0.109,581 -0.13,582 -0.096,583 0.193,584 0.019,585 -0.353,586 -0.304,587 -0.687,588 -0.6,589 -0.308,590 -0.657,591 1.702,592 5.36,593 0.579,594 12.648,595 1.003,596 1.117,597 3.296,598 10.863,599 0.715,600 3.045,601 3.332,602 3.526,603 3.738,604 3.714,605 3.714,606 3.761,607 3.497,608 3.296,609 3.045,610 4.757,611 0.661,612 294.83,613 3.045,614 4.554,615 5.371,616 6.229,617 7.062,618 7.925,619 8.765,620 9.629,621 10.474,622 11.337,623 5.9,628 1,631 1,633 6,634 1,637 1,638 3,639 11,648 1,649 34,650 12,651 1,652 20,654 35,655 14,656 9,657 2,658 4,660 2,661 2,662 1,663 2,671 10,672 4,673 2,674 1,677 1,680 1,681 1,682 1,684 15,685 3,686 1,687 5,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,724 19,730 1,733 2,737 1,740 1,741 2.9,744 1,747 10.5,748 6.593,749 4.25,750 2.027,751 1.704,752 1.288,753 0.942,754 4.805,755 7.625,756 3.314,757 3.845,758 4.299,759 4.808,760 5.017,761 5.061,762 5.31,763 5.238,764 5.183,765 5.364,766 1,767 25,768 7.01,770 2.895,771 7.804,772 13.307,774 10.612,776 2.304,777 43.778,778 0.001,781 164.795,782 115.421,783 34.796,784 39.149,785 25.145,787 31.278,788 84.143,789 229.089,790 34.796,791 17.65,792 18.011,793 45.554,794 58.406,795 16.234,796 11.771,797 172.531,798 39.149,799 164.795,800 118.94,801 25.145,802 70.426,804 164.795,805 25.145,807 45.209,808 56.945,809 55.934,810 31.278,811 164.795,812 59.941,813 154.57,815 164.795,816 43.169,817 72.252,818 18.011,819 81.079,820 164.795,821 59.941,822 154.57,823 0.577,824 0.327,825 0.177,826 0.079,827 12,828 6,829 0.114,830 4,832 1,833 3.078,834 131.97,836 11,837 74.711,838 1,840 14.321,841 6.375,842 3.691,844 59.941,845 10.921,846 4.071,849 1.414,850 2.268,851 18.011,852 379.306,853 26.5,856 12.36,859 -0.035,860 34.116,861 37.976,862 0.341,863 0.714,864 0.829,865 0.853,866 0.853,867 0.853,868 4.519,869 0.618,870 5.352,871 2.275,872 4.007,873 4.527,874 2.076,875 6.125,876 3.882,877 5.704,878 0.314,879 6.893,880 1.372,881 3.611,882 4.182,883 1.593,884 7.013,885 3.443,886 6.983,887 -0.337,888 8.537,889 0.787,890 5.557,891 6.589,892 3.1,893 10.088,894 5.361,895 8.294,896 -0.525,897 10.243,898 -0.819,899 5.969,900 7.023,901 3.168,902 11.856,903 5.767,904 9.633,905 -1,906 11.992,907 -1.237,908 7.398,909 8.891,910 4.312,911 14.46,912 7.188,913 10.992,914 -1,915 13.773,916 -2,917 8.181,918 9.694,919 4.654,920 16.59,921 7.991,922 12.365,923 -1.301,924 15.577,925 -3,926 9.411,927 11.314,928 5.601,929 19.039,930 9.224,931 3.09,932 -1.398,933 17.4,934 -3.066,935 10.369,936 12.314,937 6.091,938 21.315,939 10.209,940 2.559,941 10.662,942 19.239,943 -3.177,944 11.523,945 13.804,946 6.927,947 23.71,948 11.372,949 2.39,950 7.244,951 21.09,952 3.739,953 12.565,954 14.917,955 7.5,956 26.042,957 12.438,958 1.839,959 6.354,960 22.951,961 3.501,962 13.691,963 16.334,964 8.273,965 28.418,966 13.575,967 1.772,968 5.186,969 24.82,970 3.109,971 14.774,972 17.515,973 8.894,974 30.771,975 14.676,976 1.131,977 4.38,978 26.695,979 2.472,980 15.893,981 18.889,982 9.631,983 33.141,984 15.805,985 1,986 2.496,987 28.575,988 1.976,989 16.996,990 20.114,991 10.279,992 35.503,993 16.92,994 3028,995 5652,996 12.83,997 24.301,998 29.962,999 30.402,1000 30.632,1001 29.496,1002 29.428,1003 38.294,1004 4.622,1005 81.514,1006 27.337,1007 5.177,1008 5.818,1009 6.3,1010 5.184,1011 5.09,1012 6.739,1013 3.497,1014 17.392,1015 5.087,1016 10.126,1017 1.498,1018 1.52,1019 1.532,1020 1.475,1021 1.471,1022 1.915,1023 0.231,1024 4.076,1025 1.367,1026 3.973,1027 3.999,1028 4.205,1029 3.913,1030 7.428,1031 3.903,1032 3.798,1033 3.824,1034 4.005,1035 3.78,1036 4.94,1037 3.701,1038 3.633,1039 3.683,1040 3.648,1041 3.532,1042 4.861,1043 3.513,1044 3.28,1045 3.326,1046 3.223,1047 3.058,1048 4.354,1049 3.07,1050 2.874,1051 3.009,1052 3.153,1053 2.735,1054 4.125,1055 2.73,1056 2.861,1057 2.925,1058 2.687,1059 2.73,1060 3.775,1061 2.715,1062 2.854,1063 2.905,1064 2.602,1065 2.618,1066 3.674,1067 2.57,1068 2.491,1069 2.55,1070 2.499,1071 2.329,1072 3.467,1073 2.294,1074 0.214,1075 0.191,1076 0.334,1077 0.204,1078 0.154,1079 4.289,1080 0.187,1081 3.818,1082 0.099,1083 6.685,1084 0.533,1085 4.089,1086 0.154,1087 3.09,1088 3.739,1089 1.987,1090 10.662,1091 3.087,1092 1.942,1093 1.918,1094 2.059,1095 2.028,1096 1.318,1097 2.041,1098 1.656,1099 1.609,1100 1.868,1101 1.801,1102 0.999,1103 1.828,1104 1.369,1105 1.359,1106 1.51,1107 1.627,1108 0.598,1109 1.599,1110 1.353,1111 1.291,1112 1.425,1113 1.471,1114 0.524,1115 1.507,1116 1.038,1117 1.009,1118 1.417,1119 1.239,1120 0.469,1121 1.308,1122 0.934,1123 0.821,1124 1.181,1125 1.16,1126 0.298,1127 1.203,1128 0.886,1129 0.804,1130 1.101,1131 1.062,1132 0.218,1133 1.107,1134 0.681,1135 0.669,1136 0.785,1137 0.857,1139 0.87,1140 3.714,1142 5.004,1143 2.398,1144 6.472,1145 4.443,1146 8.026,1147 6.26,1148 9.628,1150 4.057,1151 5.882,1156 2.852,1159 -0.012,1164 22.46,1165 59.067,1166 123.464,1167 143.464,1168 147.464,1169 147.464,1170 147.464,1171 35.212,1172 5.922,1173 41.99,1174 70.23,1175 11,1176 11.889,1177 3.7,1178 2.907,1179 33.464,1180 51,1181 55,1182 0.315,1183 149.761,1184 252.91,1185 357.176,1186 2133,1187 2.9,1188 13.828,1189 0.728,1190 0.649,1191 14.682,1192 12.333,1193 9.075,1194 0.454,1195 0.365,1196 6.095,1197 8.097,1198 5.75,1199 4.839,1200 9.818,1201 7.292,1202 8.205,1203 0.304,1204 0.22,1205 9.223,1206 5.931,1207 6.212,1208 0.188,1209 0.115,1210 7.117,1211 3.781,1212 5.266,1213 0.128,1214 0.064,1215 6.056,1216 2.635,1217 3.233,1218 0.081,1219 0.035,1220 3.739,1221 1.389,1222 0.476,1223 63.609,1224 0.279,1225 18.887,1226 0.914,1227 94,1228 278.777,1229 138.959,1230 323.635,1231 423.43,1232 300,1233 107,1234 264.617,1235 139.396,1236 293.718,1237 423.92,1238 275,1239 4}
{0 CHEMBL611948,1 1.95,2 8.368,3 3.363,4 11.308,5 74.539,6 9.638,7 0.55,8 3.535,9 3.631,10 3.364,11 3.188,12 4.759,13 3.134,14 4.027,15 4.165,16 3.845,17 3.555,18 5.274,19 3.497,20 4.251,21 4.399,22 3.717,23 3.628,24 5.568,25 3.547,26 4.391,27 4.601,28 3.587,29 3.589,30 5.635,31 3.477,32 4.32,33 4.563,34 3.546,35 3.518,36 5.439,37 3.383,38 4.167,39 4.382,40 3.561,41 3.441,42 5.483,43 3.283,44 3.873,45 4.03,46 3.383,47 3.2,48 5.253,49 3.048,50 3.584,51 3.815,52 2.844,53 2.723,54 4.954,55 2.614,56 0.078,57 0.502,58 3.959,59 2.852,60 6.175,61 3.108,62 0.229,63 0.831,64 11.194,65 5.015,66 22.927,67 5.592,68 0.33,69 0.926,70 15.235,71 6.393,72 38.964,73 6.921,74 0.553,75 0.914,76 20.145,77 7.055,78 62.518,79 7.997,80 0.373,81 0.884,82 19.249,83 7.42,84 47.106,85 8.891,86 0.489,87 0.785,88 23.281,89 7.078,90 77.628,91 7.081,92 0.348,93 0.61,94 19.516,95 5.173,96 34.096,97 5.177,98 0.349,99 0.591,100 13.388,101 3.95,102 48.265,103 3.353,104 26,105 29,106 0.37,107 0.713,108 0.76,109 0.784,110 0.784,111 0.784,112 3.01,113 1.016,114 -4.67,115 -4.58,116 -4.31,118 41.9,119 2,122 1,131 4,132 1,133 1,134 1,141 1,142 1,146 1,154 7,157 2,159 2,161 2,162 11,166 3,170 3,171 10,174 1,175 4,179 2,181 6,185 5,188 2,190 4,194 2,198 4,201 3,205 1,207 2,219 1,221 1,224 436,225 12.065,226 12.065,227 12.065,228 12.065,229 12.065,230 10.565,231 15.36,232 6.898,233 12.6,234 9.814,235 9.814,236 9.814,237 9.814,238 9.814,239 7.584,240 21.053,241 3.263,242 10.784,243 3.004,244 1.197,245 0.952,246 0.823,247 0.823,248 0.823,249 3.653,250 1,252 1,253 1,254 328,255 3.464,258 59.484,259 68.329,261 1.335,262 25.304,265 1,266 1,267 1,268 0.8,269 0.5,270 1,271 1,272 0.9,273 41.833,274 159,275 4.628,276 4.108,277 7.641,278 4.501,279 3.499,280 3.957,281 1.987,282 13.44,283 3.505,284 4.087,285 3.053,286 5.652,287 3.54,288 2.697,289 3.706,290 0.324,291 7.712,292 2.312,293 3.83,294 2.95,295 5.399,296 3.345,297 2.427,298 3.285,300 6.52,301 2.163,302 3.323,303 2.809,304 4.982,305 2.896,306 1.985,307 2.543,309 5.593,310 1.756,311 3.039,312 2.227,313 4.637,314 2.575,315 1.674,316 2.202,318 4.795,319 1.454,320 2.524,321 1.671,322 3.976,323 2.121,324 1.139,325 1.5,326 3.048,327 1.084,328 2.5,329 1,330 3.414,331 2,332 1,333 1.447,334 2.275,335 1,336 2.202,337 0.87,338 3.272,339 1.564,340 0.716,341 1.053,342 1.707,343 0.597,344 1.071,345 0.444,346 2.896,347 0.62,348 -0.221,349 -0.269,350 -0.49,351 -0.148,352 1.022,353 0.353,354 2.584,355 0.576,356 -0.351,357 -0.438,358 -0.899,359 -0.304,360 0.5,361 -0.084,362 2,364 -0.842,365 -1,366 -2.006,367 -0.686,368 0.417,369 -0.702,370 2,372 -1,373 -1.018,374 -3,375 -0.946,376 0.027,377 -0.806,378 1.85,379 -0.039,380 -1,381 -1.426,383 -3,384 -1,386 -1,387 1.65,388 -0.332,389 -1.243,390 -1.5,392 -3.065,393 -1,394 -0.045,395 -1,396 1.601,397 -0.495,398 -1.362,399 -1.782,401 -3.745,402 -1.235,403 9.467,404 0.498,405 0.694,406 0.037,407 23.75,408 1.25,409 12,410 0.632,411 11.75,412 0.618,413 15.679,414 0.825,415 20.533,416 0.662,417 15.356,418 0.808,419 4.468,420 0.235,421 4.424,422 0.233,423 0.246,424 0.053,425 0.264,428 1,429 0.589,430 0.989,431 0.598,432 0.806,433 0.552,434 0.819,435 0.489,436 0.986,437 0.569,438 0.902,439 0.55,440 0.772,441 0.896,442 1.075,443 1.018,444 1.166,445 0.893,446 1.228,447 0.872,448 0.628,449 0.82,450 0.829,451 0.999,452 1.045,453 0.698,454 0.797,455 0.552,456 0.76,457 0.774,458 0.871,459 0.849,460 0.787,461 1.248,462 1.077,463 0.737,464 0.902,465 1.116,466 1.246,467 1.978,468 1.638,469 0.876,470 1.494,471 2.373,472 1.523,473 1.461,474 0.984,475 2.336,476 0.897,477 6,478 0.049,479 3.111,480 1.819,481 0.982,482 0.799,483 0.416,484 0.109,485 0.128,486 0.057,487 2995,488 12378,489 1.923,490 38.7,491 6,492 4,494 1,495 1,499 1.603,500 1.74,501 3.052,502 -0.198,504 1,506 1,507 60.455,508 1.95,509 3.757,510 4.002,511 4.131,512 4.131,513 4.131,514 2.505,515 3.827,516 4.219,517 3.156,518 539.597,519 7.187,520 5253.66,521 1,522 1,523 1,524 1,525 153.58,526 1.763,527 4.128,528 0.3,529 0.016,530 0.107,531 0.067,532 0.045,533 0.038,534 0.022,535 0.008,536 0.014,537 0.009,538 0.627,539 0.67,540 1,541 0.73,542 82.14,543 -0.046,544 -0.04,545 0.019,546 0.045,547 -0.06,548 0.027,549 0.167,550 -0.053,551 0.214,552 0.03,553 0.069,554 0.146,555 -0.054,556 -0.174,557 -0.213,558 -0.3,559 -0.033,560 -0.326,561 -0.039,562 0.078,563 -0.063,564 -0.011,565 -0.089,566 -0.098,567 0.024,568 -0.056,569 0.207,570 0.135,571 0.01,572 0.168,573 0.015,574 0.077,575 -0.077,576 0.087,577 0.124,578 0.138,579 -0.049,580 -0.284,581 -0.465,582 -0.52,583 0.006,584 -0.492,585 -0.5,586 0.238,587 -0.275,588 0.176,589 -0.414,590 0.101,591 2.098,592 5.229,593 0.579,594 12.681,595 1.024,596 1.126,597 3.437,598 11.811,599 0.725,600 3.045,601 3.401,602 3.584,603 3.689,604 3.761,605 3.738,606 3.689,607 3.466,608 3.296,609 3.219,610 4.902,611 0.688,612 298.79,613 3.045,614 4.595,615 5.425,616 6.301,617 7.154,618 8.03,619 8.892,620 9.769,621 10.634,622 11.512,623 6.5,628 1,631 1,633 5,634 1,637 1,638 4,639 11,648 2,649 31,650 12,651 1,652 20,654 32,655 13,656 9,657 2,658 4,660 2,661 2,662 1,663 2,664 1,671 10,672 3,674 1,677 1,680 1,681 1,682 1,683 1,684 12,685 4,686 1,687 6,688 2,691 2,692 1,693 1,703 1,704 1,709 1,717 2,719 1,721 2,722 1,723 1,724 19,730 1,735 1,737 1,740 2,741 3.2,744 1,747 10.917,748 6.236,749 4.083,750 1.702,751 1.77,752 1.296,753 0.939,754 4.093,755 7.741,756 3.314,757 3.907,758 4.384,759 4.828,760 5.109,761 5.134,762 5.29,763 5.144,764 5.183,765 5.497,766 0.833,767 27,768 7.02,770 3.002,771 8.133,772 12.89,774 10.317,776 2.633,777 50.028,781 129.482,782 115.066,783 34.796,784 39.149,785 25.145,786 14.96,787 31.278,788 83.788,789 193.776,790 49.756,791 17.65,792 18.011,793 37.905,794 58.406,795 38.488,797 148.989,798 39.149,799 129.482,800 118.585,801 40.105,802 70.426,804 129.482,805 25.145,806 14.96,807 52.503,808 49.296,809 55.934,810 31.278,811 144.442,812 59.941,813 154.215,815 129.482,816 50.463,817 64.603,818 18.011,819 96.039,820 129.482,821 74.901,822 154.215,823 0.602,824 0.34,825 0.153,826 0.077,827 14,828 7,829 0.094,830 3,832 1,833 3.036,834 133.565,836 11,837 74.711,838 1,840 14.257,841 5.454,842 3.24,844 74.901,845 8.133,846 3.768,849 0.799,850 1.262,851 18.011,852 358.598,853 26.5,856 12.229,859 -0.246,860 31.745,861 34.901,862 0.394,863 0.758,864 0.808,865 0.834,866 0.834,867 0.834,868 4.562,869 0.716,870 5.485,871 2.275,872 4.078,873 4.59,874 2.076,875 6.354,876 3.93,877 5.809,878 -0.221,879 7.109,880 1.707,881 4.007,882 4.511,883 1.593,884 7.727,885 3.833,886 7.145,887 -0.351,888 8.859,889 -0.49,890 5.802,891 6.751,892 3.1,893 10.76,894 5.602,895 8.519,896 -0.842,897 10.689,898 -0.899,899 6.524,900 7.405,901 3.168,902 12.987,903 6.36,904 9.923,905 -1,906 12.576,907 -2.006,908 7.912,909 9.173,910 4.312,911 15.697,912 7.746,913 11.35,914 -1,915 14.503,916 -3,917 8.951,918 10.157,919 4.654,920 18.187,921 8.831,922 12.795,923 -1.243,924 16.46,925 -3,926 10.223,927 11.72,928 5.601,929 20.818,930 10.116,931 3.499,932 -1.362,933 18.439,934 -3.065,935 11.388,936 12.87,937 6.091,938 23.384,939 11.313,940 2.697,941 13.44,942 20.434,943 -3.745,944 12.633,945 14.334,946 6.927,947 25.992,948 12.573,949 2.427,950 7.712,951 22.439,952 3.957,953 13.847,954 15.574,955 7.5,956 28.58,957 13.808,958 1.985,959 6.52,960 24.453,961 3.706,962 15.089,963 16.987,964 8.273,965 31.182,966 15.062,967 1.674,968 5.593,969 26.472,970 3.285,971 16.323,972 18.277,973 8.894,974 33.777,975 16.309,976 1.139,977 4.795,978 28.496,979 2.543,980 17.568,981 19.664,982 9.631,983 36.376,984 17.563,985 1,986 3.048,987 30.522,988 2.202,989 18.811,990 20.982,991 10.279,992 38.974,993 18.815,994 3078,995 6374,996 12.425,997 22.477,998 31.066,999 31.396,1000 31.549,1001 30.443,1002 30.275,1003 39.389,1004 4.622,1005 90.181,1006 27.742,1007 5.508,1008 6.108,1009 7.056,1010 5.608,1011 5.499,1012 6.957,1013 3.497,1014 21.315,1015 5.505,1016 11.289,1017 1.553,1018 1.57,1019 1.577,1020 1.522,1021 1.514,1022 1.969,1023 0.231,1024 4.509,1025 1.387,1026 3.976,1027 4,1028 4.233,1029 3.917,1030 8.201,1031 3.908,1032 3.811,1033 3.833,1034 4.009,1035 3.779,1036 7.428,1037 3.709,1038 3.574,1039 3.611,1040 3.641,1041 3.464,1042 4.94,1043 3.454,1044 3.078,1045 3.145,1046 3.185,1047 2.772,1048 4.765,1049 2.813,1050 2.874,1051 3.009,1052 2.903,1053 2.735,1054 4.371,1055 2.715,1056 2.854,1057 2.925,1058 2.687,1059 2.669,1060 3.999,1061 2.637,1062 2.755,1063 2.79,1064 2.608,1065 2.618,1066 3.674,1067 2.57,1068 2.474,1069 2.501,1070 2.499,1071 2.261,1072 3.668,1073 2.227,1074 0.231,1075 0.205,1076 0.382,1077 0.225,1078 0.175,1079 4.628,1080 0.198,1081 4.108,1082 0.099,1083 7.641,1084 0.672,1085 4.501,1086 0.175,1087 3.499,1088 3.957,1089 1.987,1090 13.44,1091 3.505,1092 1.944,1093 1.922,1094 2.05,1095 2.026,1096 1.244,1097 2.038,1098 1.59,1099 1.552,1100 1.774,1101 1.753,1102 0.885,1103 1.761,1104 1.323,1105 1.319,1106 1.435,1107 1.552,1108 0.485,1109 1.528,1110 1.277,1111 1.225,1112 1.417,1113 1.423,1114 0.469,1115 1.443,1116 0.934,1117 0.821,1118 1.255,1119 1.239,1120 0.352,1121 1.308,1122 0.886,1123 0.804,1124 1.181,1125 1.062,1126 0.218,1127 1.107,1128 0.757,1129 0.713,1130 0.909,1131 0.979,1132 0.077,1133 0.975,1134 0.676,1135 0.668,1136 0.616,1137 0.835,1139 0.859,1140 3.714,1142 5.056,1143 2.398,1144 6.578,1145 4.595,1146 8.177,1147 6.529,1148 9.818,1150 3.574,1151 5.823,1152 12.832,1156 2.612,1161 -0.757,1164 21.316,1165 60.455,1166 116.461,1167 124.07,1168 128.07,1169 128.07,1170 128.07,1171 43.675,1172 5.971,1173 41.99,1174 70.23,1175 11,1176 12.052,1177 3.7,1178 2.907,1179 33.663,1180 54,1181 55,1182 0.308,1183 141.367,1184 241.68,1185 336.694,1186 2326,1187 6.5,1188 14.044,1189 0.739,1190 0.63,1191 14.027,1192 11.979,1193 8.892,1194 0.445,1195 0.339,1196 5.612,1197 7.84,1198 5.286,1199 4.412,1200 9.241,1201 6.777,1202 8.699,1203 0.3,1204 0.206,1205 9.083,1206 5.973,1207 6.828,1208 0.195,1209 0.108,1210 7.405,1211 3.785,1212 4.749,1213 0.122,1214 0.057,1215 5.24,1216 2.228,1217 3.334,1218 0.079,1219 0.032,1220 3.525,1221 1.339,1222 0.471,1223 62.915,1224 0.284,1225 18.946,1226 0.876,1227 98,1228 370.888,1229 152.074,1230 384.629,1231 495,1232 354,1233 113,1234 310.294,1235 150.739,1236 336.221,1237 488.04,1238 313,1239 4.301}