@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1987

@attribute molecule_id {CHEMBL1081186,CHEMBL1083400,CHEMBL1083445,CHEMBL1084009,CHEMBL1084551,CHEMBL1084552,CHEMBL1084553,CHEMBL1085040,CHEMBL1085041,CHEMBL1085081,CHEMBL1086490,CHEMBL1093125,CHEMBL1093791,CHEMBL1093792,CHEMBL125588,CHEMBL1271476,CHEMBL1290413,CHEMBL132589,CHEMBL133910,CHEMBL133945,CHEMBL134546,CHEMBL14286,CHEMBL14334,CHEMBL14359,CHEMBL14439,CHEMBL14530,CHEMBL14600,CHEMBL14655,CHEMBL15096,CHEMBL1628652,CHEMBL1644003,CHEMBL165010,CHEMBL166351,CHEMBL172250,CHEMBL173299,CHEMBL173499,CHEMBL173680,CHEMBL173811,CHEMBL176692,CHEMBL1770317,CHEMBL1794823,CHEMBL182117,CHEMBL183193,CHEMBL184249,CHEMBL184264,CHEMBL185466,CHEMBL185484,CHEMBL185559,CHEMBL186192,CHEMBL190497,CHEMBL191638,CHEMBL191898,CHEMBL192613,CHEMBL192729,CHEMBL196779,CHEMBL207203,CHEMBL208260,CHEMBL2114230,CHEMBL217941,CHEMBL217988,CHEMBL218071,CHEMBL218123,CHEMBL218263,CHEMBL220802,CHEMBL2311147,CHEMBL264554,CHEMBL273444,CHEMBL275245,CHEMBL275667,CHEMBL277158,CHEMBL278451,CHEMBL280223,CHEMBL280247,CHEMBL280442,CHEMBL285412,CHEMBL286132,CHEMBL287080,CHEMBL288277,CHEMBL289373,CHEMBL289568,CHEMBL289660,CHEMBL290571,CHEMBL290969,CHEMBL314533,CHEMBL315391,CHEMBL315519,CHEMBL323591,CHEMBL334398,CHEMBL334810,CHEMBL336543,CHEMBL336781,CHEMBL350832,CHEMBL35715,CHEMBL36041,CHEMBL360862,CHEMBL360869,CHEMBL363439,CHEMBL363800,CHEMBL363946,CHEMBL364375,CHEMBL36817,CHEMBL36901,CHEMBL36911,CHEMBL369797,CHEMBL371394,CHEMBL37244,CHEMBL376053,CHEMBL37853,CHEMBL383484,CHEMBL385126,CHEMBL39746,CHEMBL39784,CHEMBL40183,CHEMBL402162,CHEMBL404199,CHEMBL411255,CHEMBL412070,CHEMBL415310,CHEMBL416784,CHEMBL423815,CHEMBL425681,CHEMBL426387,CHEMBL426559,CHEMBL428524,CHEMBL428794,CHEMBL430121,CHEMBL430124,CHEMBL433752,CHEMBL434002,CHEMBL434173,CHEMBL440164,CHEMBL459885,CHEMBL461390,CHEMBL461571,CHEMBL467114,CHEMBL467510,CHEMBL472754,CHEMBL475152,CHEMBL475348,CHEMBL475349,CHEMBL479263,CHEMBL479439,CHEMBL479633,CHEMBL479664,CHEMBL481813,CHEMBL482018,CHEMBL482158,CHEMBL482330,CHEMBL483991,CHEMBL484778,CHEMBL489310,CHEMBL517377,CHEMBL521609,CHEMBL521777,CHEMBL557109,CHEMBL563480,CHEMBL563949,CHEMBL591431,CHEMBL597997,CHEMBL598198,CHEMBL599051,CHEMBL599052,CHEMBL599262,CHEMBL601299,CHEMBL603462,CHEMBL603690,CHEMBL604546,CHEMBL605330,CHEMBL815,CHEMBL87371,CHEMBL88275,CHEMBL88974,CHEMBL89096,CHEMBL90450,CHEMBL90491,CHEMBL92539}
@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.094 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.014 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 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.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_AP numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_01_PN numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL 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_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL 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_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN 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_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL 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_AN numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP 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_AN numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_DP 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 cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.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.dm. 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.dm. 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.dm. 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.dm. 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.dm. 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.dm. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute 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.80 numeric
@attribute I.099 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.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.068 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute N.078 numeric
@attribute N.079 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCN numeric
@attribute nArCO numeric
@attribute nArCONHR numeric
@attribute nArCONR2 numeric
@attribute nArCOOH numeric
@attribute nArNHR numeric
@attribute nArNR2 numeric
@attribute nArOCON numeric
@attribute nArOH 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 nCONN 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 NddssS numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute NdsssP numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nFuranes numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nI numeric
@attribute nIsoxazoles numeric
@attribute nN numeric
@attribute nN. numeric
@attribute nN.CO.2 numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHs numeric
@attribute nOHt numeric
@attribute nOxazoles numeric
@attribute nOxiranes numeric
@attribute nOxolanes numeric
@attribute nP numeric
@attribute nP..O.O2R numeric
@attribute nPyridines numeric
@attribute nPyrroles numeric
@attribute nPyrrolidines numeric
@attribute nR03 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR08 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nR12 numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOH numeric
@attribute nRCOOR numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNHO numeric
@attribute nRNR2 numeric
@attribute nROCON 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 NsI numeric
@attribute nSK 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 nThiophenes 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 P.116 numeric
@attribute P.120 numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute 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_4 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute P_VSA_v_4 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 SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SddssS numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute SdsssP numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.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 SsI 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 2.023,2 13.676,3 8.108,4 65.732,5 137.336,6 10.687,7 0.659,8 4.127,9 4.192,10 4.088,11 3.771,12 5.39,13 3.764,14 4.64,15 4.737,16 4.468,17 4.169,18 6.113,19 4.165,20 4.883,21 5.002,22 4.569,23 4.294,24 6.352,25 4.264,26 4.974,27 5.123,28 4.611,29 4.274,30 6.34,31 4.247,32 4.931,33 5.077,34 4.518,35 4.201,36 6.486,37 4.205,38 4.912,39 5.077,40 4.438,41 4.217,42 6.374,43 4.184,44 4.835,45 4.996,46 4.424,47 4.178,48 6.15,49 4.132,50 4.821,51 4.965,52 4.477,53 4.128,54 6.233,55 4.077,56 0.313,57 0.954,58 5.128,59 4.786,60 39.919,61 4.089,62 0.703,63 1.539,64 10.267,65 8.052,66 82.344,67 7.467,68 1.186,69 2.037,70 20.981,71 11.287,72 155.191,73 9.668,74 1.331,75 1.941,76 34.994,77 12.691,78 158.688,79 11.171,80 1.522,81 1.921,82 21.91,83 11.16,84 195.397,85 10.788,86 1.454,87 1.918,88 26.159,89 11.541,90 190.806,91 11.319,92 1.082,93 1.708,94 21.056,95 10.741,96 111.727,97 10.408,98 1.286,99 1.644,100 28.767,101 11.144,102 136.018,103 9.957,104 65,105 62,106 0.327,107 0.649,108 0.786,109 0.894,110 0.9,111 0.9,112 3.642,113 0.946,114 -6.29,115 -6.13,116 -5.69,118 47.2,119 1,124 1,133 9,134 4,135 6,138 1,141 1,142 2,149 1,154 7,157 1,158 7,160 3,162 1,164 13,167 10,168 1,170 2,171 9,174 3,175 10,179 2,180 9,183 3,184 5,189 1,192 11,196 10,198 1,200 1,202 15,206 6,210 2,211 12,214 2,215 6,219 2,222 9,226 9,230 1,233 6,236 2728,237 24.09,238 24.09,239 24.09,240 24.09,241 24.09,242 20.419,243 22.532,244 13.563,245 24.801,246 20.21,247 20.21,248 20.21,249 20.21,250 20.21,251 14.617,252 23.128,253 6.471,254 21.566,255 3.705,256 1.714,257 0.869,258 0.203,259 0.165,260 0.165,261 4.338,262 2,267 1097,268 3.873,270 180.486,271 346.177,274 157.168,277 2.009,278 70.656,280 0.5,281 0.67,282 0.67,283 0.2,285 0.67,286 1,287 0.53,288 83.667,289 506,290 4.863,291 4.688,292 7.312,293 4.329,294 3.404,295 4.742,296 0.522,297 12.533,298 3.249,299 4.757,300 3.417,301 7.009,302 4.293,303 3.325,304 4.713,306 12.006,307 3.093,308 4.237,309 3.253,310 6.125,311 3.807,312 2.864,313 3.885,315 8.972,316 2.724,317 4.161,318 3.243,319 6.062,320 3.729,321 2.764,322 3.806,324 8.717,325 2.625,326 4.091,327 2.85,328 5.899,329 3.625,330 2.686,331 3.702,333 8.067,334 2.495,335 3.716,336 2.793,337 5.505,338 3.265,339 2.33,340 3.176,342 6.983,343 2.182,344 3.608,345 2.727,346 5.349,347 3.18,348 2.233,349 3.019,351 6.775,352 2.078,353 3.447,354 2.399,355 4.974,356 2.989,357 2.095,358 2.764,360 5.829,361 1.82,362 3.161,363 2.232,364 4.957,365 2.748,366 1.825,367 2.378,369 5.479,370 1.654,371 3.067,372 2.115,373 4.744,374 2.555,375 1.597,376 2.267,378 4.796,379 1.508,380 2.897,381 1.833,382 4.635,383 2.437,384 1.477,385 2.048,387 4.463,388 1.398,389 2.819,390 1.666,391 4.156,392 2.352,393 1.414,394 1.946,395 3.642,396 1.31,397 2.803,398 1.556,399 4.065,400 2.312,401 1.375,402 1.93,403 3.514,404 1.224,405 2.475,406 1.147,407 4.034,408 2.034,409 1.048,410 1.462,411 3.019,412 1.03,413 2.167,414 0.787,415 3.305,416 1.669,417 0.681,418 1.007,419 1.682,420 0.671,421 17.819,422 0.482,423 1.331,424 0.036,425 51.5,426 1.392,427 27.5,428 0.743,429 24,430 0.649,431 32.699,432 0.884,433 39.181,434 0.739,435 46.094,436 1.246,437 10.25,438 0.277,439 7.263,440 0.196,441 0.194,442 0.047,443 0.387,445 3,447 0.522,448 0.919,449 0.58,450 0.98,451 0.572,452 0.772,453 0.642,454 0.926,455 0.641,456 0.851,457 0.553,458 0.799,459 0.961,460 1.036,461 1.071,462 1.109,463 0.898,464 1.11,465 0.938,466 0.907,467 1.001,468 1.056,469 0.905,470 1.044,471 0.7,472 0.851,473 0.623,474 0.852,475 0.735,476 0.947,477 0.882,478 0.828,479 0.872,480 0.823,481 0.749,482 0.976,483 0.854,484 0.813,485 0.834,486 0.881,487 0.661,488 0.982,489 0.966,490 0.868,491 1.257,492 1.066,493 0.928,494 1.096,495 10.5,496 0.284,497 5.333,498 3.639,499 2.871,500 1.727,501 1.202,502 0.773,503 0.738,504 0.511,505 20633,506 85526,507 2.045,508 30.2,509 3,510 11,511 1,513 1,517 1.783,518 1.858,519 3.682,520 -0.284,525 107.219,526 2.023,527 4.013,528 4.859,529 5.525,530 5.563,531 5.563,532 3.203,533 4.993,534 5.179,535 3.869,536 2577.07,537 9.128,538 41159.9,542 303.58,543 1.68,544 5.107,545 0.256,546 0.007,547 0.086,548 0.058,549 0.047,550 0.028,551 0.021,552 0.015,553 0.015,554 0.01,555 0.543,556 0.17,557 0.63,558 0.619,559 202.587,560 0.042,561 -0.04,562 0.076,563 -0.059,564 -0.069,565 0.021,566 0.044,567 -0.051,568 0.037,569 0.02,570 0.108,571 0.037,572 -0.087,573 -0.065,574 -0.175,575 -0.14,576 -0.027,577 -0.2,578 -0.082,579 -0.075,580 -0.029,581 -0.084,582 -0.081,583 -0.06,584 0.199,585 0.009,586 0.09,587 0.004,588 0.14,589 0.001,590 0.026,591 0.115,592 -0.028,593 0.076,594 0.057,595 0.021,596 -0.062,597 0.012,598 0.037,599 0.055,600 -0.01,601 0.029,602 -0.03,603 -0.016,604 -0.104,605 -0.049,606 -0.087,607 -0.088,608 5.226,609 6.592,610 0.703,611 42.425,612 1.047,613 1.126,614 5.06,615 25.607,616 0.744,617 3.738,618 4.143,619 4.419,620 4.718,621 4.97,622 5.1,623 5.263,624 5.389,625 5.525,626 5.656,627 7.822,628 0.735,629 566.41,630 3.738,631 5.333,632 6.205,633 7.12,634 8.013,635 8.93,636 9.833,637 10.751,638 11.659,639 12.579,640 5.7,642 1,645 1,647 1,650 2,651 10,652 1,654 1,656 11,657 1,658 27,669 5,670 53,671 29,672 3,673 41,675 57,676 25,677 23,678 10,679 8,681 5,682 6,683 2,685 1,693 23,694 2,696 2,697 1,698 2,705 3,707 16,708 8,709 1,710 12,711 3,713 1,714 3,717 0.8,718 3,727 1,730 2,731 3,734 1,748 4,750 1,752 1,753 2,754 3,756 37,758 1,760 1,761 1,772 5,773 5.7,776 2,778 1,779 19.917,780 10.114,781 7.736,782 2.944,785 5.085,786 1.586,787 1.039,788 6.753,789 13.756,790 4.052,791 4.783,792 5.382,793 6.021,794 6.569,795 6.95,796 7.402,797 7.816,798 8.206,799 8.624,800 1,801 63,802 14.206,803 6.87,804 8.292,805 24.963,806 21.126,807 2.792,808 103.306,812 176.567,813 169.038,814 37.901,815 78.297,816 54.047,817 44.88,818 5.807,819 163.23,820 308.911,821 82.781,822 8.825,823 2.106,824 100.141,825 80.315,826 59.678,827 66.572,828 164.795,829 78.297,830 176.567,831 201.131,832 98.927,833 84.105,835 221.447,836 54.047,839 12.83,840 152.299,841 120.106,843 221.447,844 91.948,845 247.335,847 5.807,848 176.567,849 60.071,850 105.058,851 16.405,852 196.821,853 176.567,854 136.828,855 247.335,857 0.607,858 0.352,859 0.185,860 0.105,861 32,862 16,863 0.105,864 6,865 1,866 1.077,867 4.521,868 377.577,869 0.077,870 26,871 190.75,873 1,874 25.679,875 9.73,876 5.095,877 1.219,878 134.929,879 13.021,880 3.723,882 5.358,884 -0.856,885 1.863,886 16.405,887 560.729,888 56.5,889 -4.309,890 25.252,895 55.502,896 59.687,897 0.353,898 0.701,899 0.848,900 0.965,901 0.971,902 0.971,903 5.327,904 2.095,905 6.256,906 6.775,907 4.828,908 5.472,909 0.434,910 7.144,911 4.705,912 6.612,913 1.825,914 7.874,915 5.829,916 4.691,917 5.619,919 8.304,920 4.452,921 7.985,922 1.597,923 9.594,924 5.479,925 6.541,926 7.855,927 0.138,928 11.382,929 6.312,930 9.395,931 1.477,932 11.374,933 4.796,934 7.163,935 8.777,937 13.361,938 6.827,939 10.835,940 1.414,941 13.195,942 4.463,943 8.567,944 10.557,945 0.039,946 16.031,947 8.227,948 12.298,949 1.375,950 15.046,951 3.642,952 9.515,953 11.82,955 18.339,956 9.086,957 13.78,958 1.048,959 16.919,960 3.514,961 10.77,962 13.44,963 0.011,964 20.89,965 10.317,966 3.404,967 0.681,968 18.81,969 3.019,970 11.86,971 14.857,973 23.324,974 11.332,975 3.325,976 12.533,977 20.717,978 1.682,979 13.068,980 16.421,981 0.003,982 25.842,983 12.503,984 2.864,985 12.006,986 22.635,987 4.742,988 14.22,989 17.908,991 28.324,992 13.59,993 2.764,994 8.972,995 24.564,996 4.713,997 15.418,998 19.455,999 0.001,1000 30.835,1001 14.742,1002 2.686,1003 8.717,1004 26.5,1005 3.885,1006 16.598,1007 20.974,1009 33.336,1010 15.864,1011 2.33,1012 8.067,1013 28.444,1014 3.806,1015 17.797,1016 22.518,1018 35.847,1019 17.013,1020 2.233,1021 6.983,1022 30.393,1023 3.702,1024 18.991,1025 24.052,1027 38.355,1028 18.152,1029 19563,1030 40072,1031 26.471,1032 39.409,1033 63.629,1034 65.722,1035 66.031,1036 63.431,1037 63.115,1038 86.754,1039 1.043,1040 195.074,1041 58.831,1042 5.699,1043 6.688,1044 6.615,1045 5.399,1046 5.404,1047 7.742,1048 1.043,1049 19.994,1050 5.249,1051 23.493,1052 1.552,1053 1.603,1054 1.611,1055 1.547,1056 1.539,1057 2.116,1058 0.025,1059 4.758,1060 1.435,1061 4.188,1062 4.211,1063 4.737,1064 4.107,1065 8.24,1066 4.106,1067 4.069,1068 4.051,1069 4.169,1070 4.039,1071 8.201,1072 3.966,1073 3.9,1074 3.915,1075 4.055,1076 3.861,1077 8.161,1078 3.85,1079 3.798,1080 3.821,1081 3.784,1082 3.631,1083 7.717,1084 3.651,1085 3.597,1086 3.574,1087 3.728,1088 3.481,1089 6.999,1090 3.434,1091 3.447,1092 3.478,1093 3.594,1094 3.297,1095 5.227,1096 3.303,1097 3.228,1098 3.302,1099 3.403,1100 3.089,1101 5.019,1102 3.075,1103 2.909,1104 2.957,1105 3.161,1106 2.811,1107 4.819,1108 2.791,1109 0.119,1110 0.114,1111 0.178,1112 0.106,1113 0.083,1114 4.863,1115 0.116,1116 4.688,1117 0.013,1118 7.312,1119 0.306,1120 4.329,1121 0.079,1122 3.404,1123 4.742,1124 0.522,1125 12.533,1126 3.249,1127 1.971,1128 1.962,1129 2.026,1130 2.06,1131 1.242,1132 2.057,1133 1.941,1134 1.946,1135 1.961,1136 2.022,1137 1.145,1138 2.044,1139 1.888,1140 1.873,1141 1.931,1142 1.952,1143 1.136,1144 1.964,1145 1.61,1146 1.569,1147 1.768,1148 1.758,1149 0.897,1150 1.767,1151 1.517,1152 1.513,1153 1.536,1154 1.708,1155 0.695,1156 1.705,1157 1.286,1158 1.279,1159 1.473,1160 1.481,1161 0.616,1162 1.478,1163 1.208,1164 1.16,1165 1.205,1166 1.402,1167 0.436,1168 1.398,1169 0.993,1170 0.977,1171 1.121,1172 1.335,1173 0.241,1174 1.27,1175 4.419,1177 5.802,1178 3.045,1179 7.359,1180 5.416,1181 8.999,1182 7.526,1183 10.686,1185 1.827,1186 12.365,1187 41.352,1190 0.336,1191 2.154,1199 38.942,1200 107.219,1201 212.712,1202 257.541,1203 292.825,1204 294.825,1205 294.825,1206 106.366,1207 8.67,1208 77.13,1209 85.51,1210 28,1211 13.09,1212 4.907,1213 4.044,1214 56.676,1215 170,1216 186,1217 0.159,1218 242.246,1219 419.59,1220 582.841,1221 81455,1222 9.4,1223 26.482,1224 0.716,1225 0.574,1226 25.122,1227 21.226,1228 17.513,1229 0.427,1230 0.315,1231 10.7,1232 15.36,1233 10.3,1234 8.438,1235 17.713,1236 12.934,1237 17.442,1238 0.281,1239 0.174,1240 17.747,1241 10.809,1242 14.208,1243 0.173,1244 0.093,1245 14.661,1246 7.647,1247 11.861,1248 0.107,1249 0.049,1250 12.939,1251 5.477,1252 9.726,1253 0.068,1254 0.026,1255 10.042,1256 3.746,1257 0.25,1258 125.556,1259 0.194,1260 33.469,1261 0.437,1262 206,1263 856.43,1264 299.173,1265 826.896,1266 1073.87,1267 758,1268 247,1269 707.021,1270 339.579,1271 749.537,1272 1097.14,1273 701,1274 6.222}
{0 CHEMBL1083400,1 1.778,2 13.629,3 6.293,4 39.603,5 126.699,6 9.108,7 0.579,8 4.122,9 4.214,10 3.834,11 3.712,12 5.374,13 3.716,14 4.651,15 4.777,16 4.302,17 4.112,18 6.319,19 4.105,20 4.884,21 5.042,22 4.316,23 4.261,24 6.162,25 4.223,26 5.033,27 5.225,28 4.331,29 4.251,30 6.359,31 4.212,32 4.991,33 5.195,34 4.275,35 4.185,36 6.284,37 4.134,38 4.847,39 5.041,40 4.108,41 4.158,42 5.977,43 4.086,44 4.884,45 5.064,46 4.223,47 4.193,48 6.179,49 4.129,50 4.899,51 5.078,52 4.209,53 4.175,54 6.181,55 4.107,56 0.214,57 0.941,58 7.149,59 5.027,60 38.575,61 5.208,62 0.985,63 1.903,64 15.76,65 8.488,66 166.502,67 9.13,68 0.603,69 1.804,70 23.599,71 11.306,72 78.379,73 12.866,74 1.06,75 2.05,76 30.89,77 12.83,78 145.56,79 14.101,80 1.139,81 1.789,82 35.179,83 12.496,84 170.1,85 14.247,86 0.736,87 1.528,88 27.778,89 11.127,90 123.758,91 13.276,92 1.028,93 1.729,94 29.442,95 11.405,96 127.426,97 12.864,98 0.85,99 1.646,100 30.172,101 11.862,102 123.953,103 13.216,104 69,105 56,106 0.289,107 0.615,108 0.742,109 0.831,110 0.859,111 0.859,112 3.588,113 0.868,114 -6.38,115 -6.21,116 -5.76,118 47.3,119 1,124 1,125 1,127 1,133 11,134 6,135 1,141 1,142 1,145 2,150 1,153 1,154 15,155 1,158 6,160 2,162 4,164 18,165 2,167 7,170 5,171 13,172 2,174 1,175 7,177 1,179 5,180 9,181 1,184 8,189 5,192 13,196 5,200 1,201 1,202 16,203 1,206 6,208 1,209 1,210 3,211 19,215 4,216 1,219 2,222 15,223 1,225 1,226 3,228 1,230 2,233 15,234 1,236 2528,237 22.643,238 22.643,239 22.643,240 22.643,241 22.643,242 19.848,243 25.423,244 12.864,245 23.167,246 18.718,247 18.718,248 18.718,249 18.718,250 18.718,251 14.359,252 32.099,253 6.08,254 19.673,255 4.003,256 2.002,257 1.22,258 0.673,259 0.5,260 0.5,261 4.275,262 1,267 1011,268 4.637,270 83.992,271 339.097,274 158.397,277 2.304,278 61.048,280 0.5,281 0.67,282 0.67,283 0.4,284 0.5,285 0.67,286 1,287 0.63,288 78.833,289 477,290 4.688,291 4.46,292 7.111,293 4.232,294 3.314,295 4.644,296 3.825,297 11.658,298 3.17,299 4.438,300 3.639,301 6.908,302 4.169,303 3.256,304 3.835,305 1.437,306 11.613,307 2.88,308 4.206,309 3.576,310 6.091,311 3.866,312 2.876,313 3.785,314 1.081,315 8.793,316 2.846,317 3.948,318 3.182,319 5.891,320 3.641,321 2.653,322 3.32,323 0.522,324 8.094,325 2.609,326 3.854,327 2.993,328 5.769,329 3.518,330 2.545,331 3.202,332 0.473,333 7.758,334 2.462,335 3.744,336 2.872,337 5.456,338 3.361,339 2.359,340 3.113,342 7.155,343 2.345,344 3.622,345 2.615,346 5.167,347 3.123,348 2.229,349 3.024,351 6.34,352 1.935,353 3.139,354 2.08,355 4.775,356 2.693,357 1.758,358 2.348,360 5.123,361 1.63,362 2.976,363 2.051,364 4.579,365 2.585,366 1.621,367 2.081,369 4.619,370 1.506,371 2.873,372 1.814,373 4.475,374 2.433,375 1.491,376 1.964,378 4.258,379 1.373,380 2.769,381 1.693,382 4.06,383 2.265,384 1.271,385 1.806,387 3.227,388 1.235,389 2.5,390 1.405,391 3.69,392 2,393 1,394 1.5,395 2.483,396 1,397 2.5,398 1,399 3.437,400 2,401 1,402 1.5,403 2.275,404 1,405 2.373,406 1,407 3.414,408 1.976,409 0.977,410 1.298,411 2.275,412 0.967,413 2.169,414 0.828,415 3.414,416 1.686,417 0.694,418 0.986,419 1.772,420 0.682,421 16.371,422 0.468,423 1.234,424 0.035,425 45,426 1.286,427 23,428 0.657,429 22,430 0.629,431 30.626,432 0.875,433 37.629,434 0.684,435 41.405,436 1.183,437 9.257,438 0.264,439 7.267,440 0.208,441 0.188,442 0.031,443 0.36,444 3,447 0.606,448 0.912,449 0.573,450 0.88,451 0.62,452 0.821,453 0.413,454 0.754,455 0.616,456 0.857,457 0.359,458 0.878,459 0.641,460 0.964,461 0.899,462 1.136,463 0.568,464 1.123,465 0.954,466 0.957,467 0.909,468 0.981,469 0.927,470 1.046,471 0.876,472 0.787,473 0.961,474 0.935,475 0.893,476 0.979,477 0.63,478 0.667,479 0.935,480 0.922,481 0.643,482 1.008,483 0.796,484 0.68,485 1.16,486 0.954,487 0.832,488 1.068,489 0.858,490 0.85,491 1.191,492 1.067,493 0.811,494 1.131,495 9.5,496 0.331,497 4.889,498 2.847,499 2.119,500 1.671,501 0.89,502 0.701,503 0.573,504 0.463,505 17921,506 70337,507 2.001,508 36.4,510 14,511 1,513 2,515 3,517 1.768,518 1.818,519 3.681,520 0.191,525 97.815,526 1.778,527 3.78,528 4.562,529 5.108,530 5.281,531 5.281,532 3.18,533 4.708,534 5.095,535 3.913,536 2328.25,537 8.955,538 36705.3,542 317.975,543 1.691,544 5.023,545 0.25,546 0.009,547 0.087,548 0.05,549 0.039,550 0.034,551 0.019,552 0.014,553 0.012,554 0.011,555 0.526,556 0.17,557 0.75,558 0.869,559 190.147,560 -0.05,561 -0.02,562 -0.002,563 0.04,564 -0.094,565 0.043,566 0.352,567 0.268,568 0.085,569 0.077,570 0.376,571 0.008,572 -0.032,573 -0.168,574 -0.077,575 -0.191,576 0.016,577 -0.156,578 -0.105,579 -0.061,580 -0.044,581 -0.041,582 -0.082,583 -0.068,584 -0.057,585 0.011,586 0.037,587 0.026,588 -0.07,589 0.043,590 -0.044,591 -0.003,592 -0.028,593 0.03,594 -0.047,595 0.027,596 -0.005,597 0.181,598 -0.152,599 0.022,600 -0.072,601 -0.079,602 -0.11,603 -0.114,604 -0.126,605 -0.084,606 -0.084,607 -0.115,608 5.661,609 6.225,610 0.6,611 42.674,612 1.032,613 1.13,614 5.145,615 26.473,616 0.699,617 3.664,618 4.043,619 4.277,620 4.522,621 4.745,622 4.875,623 4.997,624 5.037,625 5.182,626 5.313,627 8.01,628 0.69,629 500.93,630 3.664,631 5.242,632 6.094,633 6.991,634 7.863,635 8.761,636 9.642,637 10.541,638 11.427,639 12.328,640 3.6,644 1,645 1,650 2,651 12,656 6,657 1,658 22,661 1,663 1,669 1,670 55,671 24,672 3,673 38,675 58,676 26,677 20,678 8,679 10,680 2,681 4,682 5,683 1,685 2,690 1,691 1,693 22,694 4,696 2,698 2,701 2,705 3,707 20,708 7,709 2,710 9,711 1,714 2,717 0.75,718 3,727 1,730 1,731 3,734 1,746 1,748 3,752 1,753 1,754 3,756 35,759 1,760 1,761 1,764 1,766 1,772 4,773 5.5,775 1,776 2,779 19.25,780 10.138,781 7.417,782 3.132,785 4.195,786 1.513,787 0.982,788 6.932,789 12.368,790 3.951,791 4.598,792 5.187,793 5.784,794 6.327,795 6.64,796 7.024,797 7.321,798 7.659,799 8.059,800 1,801 57,802 13.408,803 6.31,804 8.339,805 23.573,806 19.524,807 2.839,808 99.361,812 211.88,813 161.737,814 19.91,815 39.149,816 92.973,817 44.88,819 161.737,820 344.002,821 64.79,822 8.825,823 20.116,824 113.286,825 98.588,826 68.781,827 13.915,828 200.109,829 46.908,830 211.88,831 181.647,832 137.854,833 39.149,835 176.567,836 173.167,839 38.6,840 143.046,841 39.149,843 256.76,844 112.883,845 200.885,848 219.639,849 31.866,850 124.01,851 18.011,852 177.002,853 211.88,854 157.763,855 200.885,857 0.602,858 0.34,859 0.17,860 0.093,861 27,862 14,863 0.103,864 6,865 1,866 1.095,867 4.416,868 331.925,869 0.095,870 21,871 166.77,874 24.839,875 9.767,876 5.528,877 1.313,878 155.864,879 17.879,884 1.47,885 1.787,886 60.694,887 570.529,888 51,890 24.29,893 -1.428,895 56.767,896 62.155,897 0.308,898 0.654,899 0.789,900 0.884,901 0.913,902 0.913,903 5.218,904 1.758,905 6.138,906 6.34,907 4.727,908 5.286,909 3.343,910 6.999,911 4.638,912 6.47,913 1.621,914 7.742,915 5.123,916 4.575,917 5.247,918 3.903,919 8.141,920 4.353,921 7.808,922 1.491,923 9.451,924 4.619,925 6.418,926 7.537,927 5.47,928 11.167,929 6.233,930 9.179,931 1.271,932 11.221,933 4.258,934 7.022,935 8.271,936 6.69,937 13.103,938 6.708,939 10.58,940 1,941 13.031,942 3.227,943 8.42,944 10.096,945 8.064,946 15.721,947 8.114,948 12.001,949 1,950 14.869,951 2.483,952 9.342,953 11.206,954 9.388,955 17.969,956 8.925,957 13.439,958 0.977,959 16.727,960 2.275,961 10.585,962 12.841,963 10.735,964 20.467,965 10.145,966 3.314,967 0.694,968 18.602,969 2.275,970 11.648,971 14.15,972 12.074,973 22.839,974 11.112,975 3.256,976 11.658,977 20.49,978 1.772,979 12.839,980 15.707,981 13.417,982 25.301,983 12.26,984 2.876,985 11.613,986 22.389,987 4.644,988 13.964,989 17.121,990 14.758,991 27.722,992 13.303,993 2.653,994 8.793,995 24.296,996 3.835,997 15.141,998 18.65,999 16.1,1000 30.175,1001 14.425,1002 2.545,1003 8.094,1004 26.21,1005 3.785,1006 16.295,1007 20.12,1008 17.441,1009 32.615,1010 15.507,1011 2.359,1012 7.758,1013 28.131,1014 3.32,1015 17.471,1016 21.642,1017 18.783,1018 35.067,1019 16.624,1020 2.229,1021 7.155,1022 30.056,1023 3.202,1024 18.64,1025 23.14,1026 20.124,1027 37.515,1028 17.726,1029 17389,1030 34637,1031 24.274,1032 38.421,1033 59.338,1034 59.317,1035 60.228,1036 58.642,1037 58.219,1038 76.968,1039 14.674,1040 175.244,1041 55.397,1042 5.569,1043 6.46,1044 6.525,1045 5.262,1046 5.314,1047 7.644,1048 5.335,1049 18.925,1050 5.17,1051 23.033,1052 1.562,1053 1.561,1054 1.585,1055 1.543,1056 1.532,1057 2.025,1058 0.386,1059 4.612,1060 1.458,1061 4.16,1062 4.189,1063 4.169,1064 4.075,1065 8.513,1066 4.083,1067 3.951,1068 3.976,1069 3.9,1070 3.885,1071 7.999,1072 3.883,1073 3.921,1074 3.945,1075 3.889,1076 3.856,1077 7.999,1078 3.854,1079 3.586,1080 3.629,1081 3.672,1082 3.407,1083 7.475,1084 3.423,1085 3.47,1086 3.512,1087 3.506,1088 3.324,1089 7.429,1090 3.327,1091 3.324,1092 3.36,1093 3.358,1094 3.122,1095 6.351,1096 3.146,1097 3.234,1098 3.24,1099 3.256,1100 3.018,1101 4.998,1102 3.048,1103 3.125,1104 3.161,1105 3.002,1106 2.87,1107 4.716,1108 2.895,1109 0.123,1110 0.117,1111 0.187,1112 0.111,1113 0.087,1114 4.688,1115 0.122,1116 4.46,1117 0.101,1118 7.111,1119 0.307,1120 4.232,1121 0.083,1122 3.314,1123 4.644,1124 3.825,1125 11.658,1126 3.17,1127 1.977,1128 1.956,1129 2.058,1130 2.076,1131 1.244,1132 2.071,1133 1.933,1134 1.909,1135 2.041,1136 2.025,1137 1.202,1138 2.03,1139 1.898,1140 1.88,1141 1.965,1142 1.967,1143 1.127,1144 1.971,1145 1.548,1146 1.5,1147 1.728,1148 1.731,1149 0.85,1150 1.724,1151 1.485,1152 1.43,1153 1.683,1154 1.708,1155 0.823,1156 1.704,1157 1.213,1158 1.179,1159 1.384,1160 1.447,1161 0.52,1162 1.404,1163 1.039,1164 1.032,1165 1.231,1166 1.369,1167 0.266,1168 1.298,1169 1.006,1170 0.965,1171 1.181,1172 1.32,1173 0.218,1174 1.281,1175 4.344,1177 5.707,1178 2.398,1179 7.246,1180 4.727,1181 8.865,1182 6.843,1183 10.527,1185 1.774,1186 6.247,1187 38.635,1189 9.061,1190 0.26,1191 2.902,1194 -0.419,1196 -4.411,1199 37.959,1200 97.815,1201 207.882,1202 250.901,1203 280.955,1204 290.465,1205 290.465,1206 97.281,1207 8.174,1208 71.33,1209 71.33,1210 23,1211 12.852,1212 4.644,1213 3.807,1214 59.496,1215 162,1216 179,1217 0.173,1218 232.974,1219 415.43,1220 560.216,1221 45035,1222 7.3,1223 25.328,1224 0.724,1225 0.548,1226 23.328,1227 19.191,1228 16.524,1229 0.435,1230 0.289,1231 10.48,1232 15.55,1233 10.24,1234 8.419,1235 15.601,1236 10.991,1237 16.344,1238 0.292,1239 0.153,1240 14.794,1241 8.588,1242 12.617,1243 0.178,1244 0.083,1245 11.917,1246 5.928,1247 10.32,1248 0.113,1249 0.045,1250 9.908,1251 4.112,1252 8.09,1253 0.071,1254 0.024,1255 8.158,1256 2.778,1257 0.274,1258 107.284,1259 0.203,1260 32.328,1261 0.468,1262 188,1263 762.135,1264 231.647,1265 687.102,1266 884.76,1267 632,1268 221,1269 593.307,1270 251.879,1271 594.367,1272 888.42,1273 557,1274 7}
{0 CHEMBL1083445,1 1.637,2 12.344,3 6.015,4 36.183,5 125.53,6 8.988,7 0.629,8 4.054,9 4.145,10 3.772,11 3.695,12 5.25,13 3.67,14 4.548,15 4.675,16 4.182,17 4.099,18 5.809,19 4.054,20 4.824,21 4.984,22 4.286,23 4.247,24 5.986,25 4.174,26 4.924,27 5.11,28 4.26,29 4.231,30 6.11,31 4.152,32 4.911,33 5.103,34 4.177,35 4.186,36 6.089,37 4.099,38 4.82,39 5.015,40 4.213,41 4.165,42 5.987,43 4.082,44 4.788,45 4.95,46 4.233,47 4.198,48 6.002,49 4.109,50 4.838,51 5.023,52 4.237,53 4.156,54 6.031,55 4.043,56 0.081,57 0.659,58 7.333,59 4.364,60 12.456,61 5.099,62 0.281,63 1.087,64 14.525,65 7.387,66 40.567,67 9.015,68 0.328,69 1.381,70 26.014,71 10.562,72 43.567,73 12.81,74 0.511,75 1.539,76 30.204,77 11.665,78 63.721,79 13.912,80 0.585,81 1.459,82 35.933,83 11.944,84 81.206,85 13.982,86 0.525,87 1.348,88 29.394,89 10.919,90 79.203,91 13.265,92 0.436,93 1.277,94 27.819,95 10.588,96 56.555,97 12.674,98 0.548,99 1.329,100 34.027,101 11.377,102 79.659,103 13.173,104 38,105 50,106 0.269,107 0.6,108 0.752,109 0.866,110 0.89,111 0.89,112 3.502,113 0.921,114 -6.08,115 -5.93,116 -5.51,118 48.1,119 1,124 1,125 1,133 11,134 5,135 2,141 1,142 1,145 2,150 1,153 1,154 14,155 1,158 5,160 2,162 4,164 18,165 2,167 8,170 5,171 12,172 2,174 1,175 8,177 1,179 6,180 9,181 1,184 6,189 3,192 13,196 6,200 2,201 1,202 17,203 1,206 6,208 1,209 1,210 3,211 18,215 3,216 1,219 1,222 18,223 1,225 1,226 4,228 1,230 3,233 14,234 1,236 1900,237 21.223,238 21.223,239 21.223,240 21.223,241 21.223,242 18.317,243 22.569,244 12.293,245 21.602,246 17.244,247 17.244,248 17.244,249 17.244,250 17.244,251 12.806,252 30.824,253 5.804,254 17.95,255 4.063,256 2.05,257 1.122,258 0.428,259 0.284,260 0.284,261 4.193,262 2,266 1,267 848,268 3.937,270 72.448,271 300.036,274 137.97,277 1.887,278 36.408,280 0.75,281 0.67,282 1,283 0.6,284 0.5,285 1,286 1,287 0.79,288 68.667,289 395,290 4.733,291 3.644,292 6.987,293 4.264,294 3.301,295 4.707,296 1.437,297 11.894,298 3.182,299 4.208,300 3.576,301 6.113,302 3.871,303 2.882,304 3.786,305 1.081,306 8.851,307 2.849,308 4.052,309 3.32,310 5.958,311 3.671,312 2.688,313 3.652,314 0.522,315 8.266,316 2.629,317 3.981,318 3.014,319 5.845,320 3.606,321 2.638,322 3.401,323 0.473,324 7.895,325 2.548,326 3.81,327 3.003,328 5.618,329 3.468,330 2.484,331 3.142,333 7.673,334 2.419,335 3.486,336 2.641,337 5.292,338 3.045,339 2.139,340 2.826,342 6.358,343 1.91,344 3.196,345 2.376,346 4.829,347 2.736,348 1.806,349 2.451,351 5.197,352 1.655,353 3.173,354 2.078,355 4.637,356 2.699,357 1.747,358 2.369,360 4.804,361 1.597,362 2.886,363 1.919,364 4.308,365 2.449,366 1.473,367 1.929,369 3.824,370 1.399,371 2.697,372 1.484,373 3.889,374 2.202,375 1.226,376 1.787,378 2.998,379 1.173,380 2.653,381 1.405,382 3.696,383 2.153,384 1.175,385 1.719,387 2.742,388 1.128,389 2.5,390 1.3,391 3.596,392 2.059,393 1.083,394 1.5,395 2.569,396 1.03,397 2.489,398 1.162,399 3.477,400 2,401 1,402 1.459,403 2.275,404 1,405 2.291,406 1,407 3.414,408 1.847,409 0.852,410 1.149,411 2.175,412 0.819,413 1.225,414 0.472,415 2.92,416 0.897,417 -0.067,418 -0.083,419 -0.188,420 -0.063,421 15.729,422 0.492,423 0.929,424 0.029,425 43,426 1.344,427 23,428 0.719,429 20,430 0.625,431 27.374,432 0.855,433 32.871,434 0.632,435 35.263,436 1.102,437 8.665,438 0.271,439 6.664,440 0.208,441 0.186,443 0.375,447 0.686,448 1.084,449 0.559,450 0.8,451 0.648,452 0.783,453 0.544,454 1.076,455 0.628,456 0.838,457 0.43,458 0.86,459 0.81,460 1.214,461 0.917,462 1.086,463 0.739,464 1.062,465 1.013,466 1.089,467 0.872,468 0.974,469 1.009,470 1.011,471 1.197,472 1.026,473 1.123,474 1.036,475 1.217,476 1.035,477 0.866,478 0.87,479 0.783,480 0.827,481 0.933,482 0.86,483 0.934,484 1.029,485 1.081,486 1.033,487 0.902,488 1.051,489 1.155,490 1.022,491 1.005,492 0.972,493 1.18,494 1.064,495 7,496 0.178,497 4,498 2.979,499 1.618,500 1.521,501 0.785,502 0.619,503 0.432,504 0.254,505 13888,506 46848,507 2.045,508 38.5,510 14,511 1,513 2,515 3,517 1.747,518 1.882,519 3.574,520 0.177,525 85.133,526 1.637,527 3.651,528 4.579,529 5.272,530 5.417,531 5.417,532 3.058,533 4.625,534 4.968,535 3.757,536 1863.29,537 8.704,538 27068.7,542 296.423,543 1.505,544 4.914,545 0.2,546 0.007,547 0.08,548 0.057,549 0.033,550 0.034,551 0.017,552 0.013,553 0.011,554 0.008,555 0.46,556 0.17,557 0.75,558 0.765,559 167.927,560 -0.067,561 -0.016,562 -0.001,563 0.044,564 -0.088,565 0.042,566 0.121,567 -0.002,568 0.034,569 0.035,570 0.159,571 0.009,572 -0.037,573 -0.191,574 -0.061,575 -0.153,576 -0.022,577 -0.125,578 -0.068,579 -0.051,580 -0.029,581 -0.036,582 -0.058,583 -0.059,584 -0.155,585 -0.021,586 -0.127,587 -0.06,588 -0.146,589 -0.057,590 0.01,591 0.133,592 0.102,593 0.141,594 -0.005,595 0.132,596 -0.034,597 -0.043,598 -0.091,599 -0.062,600 -0.036,601 -0.092,602 -0.126,603 -0.05,604 0.018,605 0.02,606 -0.146,607 -0.076,608 2.655,609 6.203,610 0.656,611 34.258,612 1.013,613 1.109,614 4.849,615 23.512,616 0.725,617 3.584,618 3.932,619 4.205,620 4.477,621 4.691,622 4.787,623 4.92,624 4.977,625 5.075,626 5.13,627 7.248,628 0.694,629 467.37,630 3.584,631 5.142,632 5.999,633 6.889,634 7.765,635 8.661,636 9.546,637 10.446,638 11.338,639 12.24,640 3.8,644 1,645 1,650 2,651 12,656 6,657 1,658 22,661 1,663 1,669 2,670 52,671 24,672 3,673 35,675 55,676 25,677 20,678 7,679 11,680 2,681 4,682 5,683 2,685 1,691 1,693 22,694 3,696 2,698 2,701 2,707 20,708 4,709 2,710 7,711 2,714 2,717 0.75,718 3,727 1,730 1,731 3,734 1,746 1,748 3,752 1,753 2,756 32,759 1,760 1,761 1,764 1,772 2,773 5.8,775 1,776 2,779 17,780 9.602,781 6.944,782 3.005,785 4.14,786 1.522,787 0.984,788 6.56,789 12.07,790 3.892,791 4.535,792 5.148,793 5.76,794 6.286,795 6.568,796 6.972,797 7.297,798 7.593,799 7.919,800 1,801 52,802 11.829,803 5.136,804 7.944,805 22.111,806 18.269,807 2.444,808 78.222,812 211.88,813 154.292,814 19.91,815 78.297,816 92.973,819 154.292,820 383.15,821 19.91,822 8.825,823 20.116,824 113.286,825 98.588,826 24.216,827 13.915,828 200.109,829 78.297,830 211.88,831 174.202,832 92.973,833 78.297,835 176.567,836 128.287,839 30.841,840 143.361,841 78.297,843 211.88,844 112.883,845 232.589,848 211.88,849 32.181,850 124.01,851 18.011,852 171.27,853 211.88,854 112.883,855 232.589,857 0.591,858 0.345,859 0.183,860 0.098,861 24,862 12,863 0.109,864 6,865 1,866 1.095,867 4.214,868 295.693,869 0.095,870 21,871 156,874 22.403,875 9.37,876 4.856,877 1.531,878 110.984,879 21.279,884 3.715,885 1.949,886 60.694,887 557.352,888 48,890 24.266,893 -1.232,895 52.669,896 57.665,897 0.287,898 0.64,899 0.803,900 0.925,901 0.95,902 0.95,903 5.133,904 1.747,905 6.004,906 5.197,907 4.615,908 5.223,909 2.135,910 6.836,911 4.541,912 6.367,913 1.473,914 7.581,915 4.804,916 4.29,917 5.112,919 7.786,920 4.147,921 7.689,922 1.226,923 9.257,924 3.824,925 6.232,926 7.478,927 2.526,928 10.899,929 6.105,930 9.047,931 1.175,932 10.991,933 2.998,934 6.698,935 8.193,937 12.703,938 6.517,939 10.436,940 1.083,941 12.762,942 2.742,943 8.144,944 10.058,945 3.084,946 15.357,947 7.964,948 11.85,949 1,950 14.56,951 2.569,952 8.974,953 11.182,955 17.54,956 8.748,957 13.283,958 0.852,959 16.379,960 2.275,961 10.228,962 12.842,963 3.715,964 20.053,965 9.99,966 3.301,967 -0.067,968 18.215,969 2.175,970 11.232,971 14.177,973 22.404,974 10.951,975 2.882,976 11.894,977 20.065,978 -0.188,979 12.416,980 15.755,981 4.386,982 24.88,983 12.112,984 2.688,985 8.851,986 21.927,987 4.707,988 13.504,989 17.196,991 27.302,992 13.158,993 2.638,994 8.266,995 23.799,996 3.786,997 14.668,998 18.745,999 5.08,1000 29.771,1001 14.293,1002 2.484,1003 7.895,1004 25.68,1005 3.652,1006 15.798,1007 20.239,1009 32.223,1010 15.382,1011 2.139,1012 7.673,1013 27.569,1014 3.401,1015 16.961,1016 21.78,1017 5.787,1018 34.694,1019 16.51,1020 1.806,1021 6.358,1022 29.466,1023 3.142,1024 18.114,1025 23.301,1027 37.159,1028 17.623,1029 13364,1030 24661,1031 22.887,1032 37.705,1033 53.908,1034 55.067,1035 55.449,1036 53.341,1037 52.987,1038 71.755,1039 7.024,1040 155.043,1041 50.677,1042 5.612,1043 5.644,1044 6.543,1045 5.294,1046 5.301,1047 7.707,1048 2.873,1049 19.275,1050 5.182,1051 18.493,1052 1.54,1053 1.573,1054 1.584,1055 1.524,1056 1.514,1057 2.05,1058 0.201,1059 4.43,1060 1.448,1061 4.159,1062 4.187,1063 4.199,1064 4.077,1065 7.475,1066 4.084,1067 3.951,1068 3.976,1069 3.982,1070 3.885,1071 7.429,1072 3.883,1073 3.886,1074 3.908,1075 3.898,1076 3.843,1077 6.351,1078 3.832,1079 3.583,1080 3.625,1081 3.621,1082 3.408,1083 5.031,1084 3.423,1085 3.435,1086 3.484,1087 3.419,1088 3.303,1089 4.924,1090 3.303,1091 3.251,1092 3.262,1093 3.397,1094 3.079,1095 4.701,1096 3.089,1097 3.14,1098 3.169,1099 3.173,1100 2.933,1101 4.501,1102 2.944,1103 3.044,1104 3.095,1105 3.143,1106 2.86,1107 4.345,1108 2.872,1109 0.135,1110 0.104,1111 0.2,1112 0.122,1113 0.094,1114 4.733,1115 0.134,1116 3.644,1117 0.041,1118 6.987,1119 0.34,1120 4.264,1121 0.091,1122 3.301,1123 4.707,1124 1.437,1125 11.894,1126 3.182,1127 1.975,1128 1.954,1129 2.06,1130 2.075,1131 1.239,1132 2.071,1133 1.93,1134 1.907,1135 2.032,1136 2.017,1137 1.199,1138 2.025,1139 1.886,1140 1.866,1141 1.974,1142 1.95,1143 1.114,1144 1.964,1145 1.532,1146 1.493,1147 1.727,1148 1.711,1149 0.85,1150 1.713,1151 1.48,1152 1.425,1153 1.631,1154 1.68,1155 0.788,1156 1.679,1157 1.165,1158 1.132,1159 1.332,1160 1.388,1161 0.477,1162 1.355,1163 1.036,1164 1.023,1165 1.235,1166 1.338,1167 0.273,1168 1.298,1169 1.007,1170 0.963,1171 1.181,1172 1.212,1173 0.218,1174 1.236,1175 4.263,1177 5.602,1178 2.398,1179 7.128,1180 4.844,1181 8.74,1182 7.034,1183 10.398,1185 1.853,1186 12.594,1189 9.068,1190 0.514,1191 2.999,1194 -0.313,1199 36.11,1200 85.133,1201 189.84,1202 238.104,1203 274.158,1204 281.668,1205 281.668,1206 68.321,1207 7.931,1208 71.33,1209 71.33,1210 23,1211 12.763,1212 4.644,1213 3.807,1214 51.8,1215 135,1216 152,1217 0.182,1218 228.12,1219 395.13,1220 548.372,1221 33009,1222 3.8,1223 22.828,1224 0.713,1225 0.584,1226 23.828,1227 18.691,1228 15.329,1229 0.438,1230 0.307,1231 9.964,1232 14.367,1233 9.641,1234 7.968,1235 15.907,1236 10.747,1237 14.292,1238 0.286,1239 0.168,1240 15.071,1241 8.403,1242 11.733,1243 0.178,1244 0.089,1245 12.327,1246 5.878,1247 9.918,1248 0.114,1249 0.048,1250 10.532,1251 4.212,1252 7.693,1253 0.071,1254 0.026,1255 8.195,1256 2.788,1257 0.287,1258 101.043,1259 0.209,1260 29.866,1261 0.5,1262 170,1263 512.006,1264 212.15,1265 560.646,1266 736.72,1267 518,1268 201,1269 487.169,1270 233.605,1271 517.148,1272 756.95,1273 486,1274 6.032}
{0 CHEMBL1084009,1 1.662,2 13.657,3 5.597,4 31.328,5 124.576,6 8.545,7 0.564,8 4.149,9 4.244,10 3.815,11 3.74,12 5.366,13 3.744,14 4.673,15 4.802,16 4.255,17 4.123,18 6.306,19 4.115,20 4.898,21 5.065,22 4.272,23 4.268,24 6.139,25 4.235,26 5.053,27 5.245,28 4.273,29 4.269,30 6.349,31 4.234,32 5.02,33 5.235,34 4.119,35 4.204,36 6.227,37 4.147,38 4.875,39 5.077,40 4.074,41 4.181,42 5.96,43 4.116,44 4.909,45 5.097,46 4.181,47 4.212,48 6.149,49 4.163,50 4.938,51 5.126,52 4.044,53 4.169,54 6.162,55 4.097,56 0.17,57 0.973,58 8.393,59 5.292,60 35.269,61 5.616,62 0.929,63 1.961,64 17.279,65 8.779,66 162.796,67 9.718,68 0.477,69 1.874,70 23.25,71 11.334,72 63.502,73 13.328,74 0.904,75 2.144,76 31.489,77 12.963,78 125.184,79 14.664,80 0.949,81 1.906,82 33.455,83 12.707,84 153.821,85 14.936,86 0.606,87 1.625,88 26.588,89 11.321,90 109.4,91 14.052,92 0.874,93 1.855,94 26.863,95 11.4,96 110.53,97 13.504,98 0.719,99 1.777,100 27.487,101 11.992,102 114.941,103 13.884,104 41,105 59,106 0.269,107 0.586,108 0.707,109 0.808,110 0.844,111 0.844,112 3.589,113 0.851,114 -5.72,115 -5.58,116 -5.2,118 48.2,120 2,124 1,126 1,127 1,133 12,134 6,141 1,142 1,145 2,150 1,153 1,154 18,155 1,158 6,160 2,162 5,164 19,165 2,167 7,170 5,171 14,172 2,174 1,175 10,177 1,179 6,180 11,181 1,184 6,189 4,192 15,196 6,200 1,201 1,202 21,203 2,206 7,208 1,209 1,210 4,211 22,215 4,216 1,219 2,222 16,223 1,225 1,226 3,228 1,230 2,233 15,234 1,236 2441,237 23.065,238 23.065,239 23.065,240 23.065,241 23.065,242 20.309,243 24.784,244 12.967,245 23.442,246 19.19,247 19.19,248 19.19,249 19.19,250 19.19,251 14.95,252 34.832,253 6.055,254 19.887,255 4.145,256 2.181,257 1.429,258 0.804,259 0.585,260 0.585,261 4.281,265 1,266 1,267 1039,268 4.583,269 64.055,270 83.499,271 337.729,274 158.065,277 2.276,278 57.868,280 0.75,281 0.83,282 1,283 0.8,284 0.5,285 1,286 1,287 0.84,288 78.5,289 478,290 4.709,291 4.46,292 7.714,293 4.583,294 3.602,295 4.618,296 3.825,297 14.282,298 3.532,299 4.626,300 3.907,301 7.111,302 4.201,303 3.314,304 3.968,305 1.437,306 11.658,307 3.146,308 4.438,309 3.576,310 6.892,311 4.167,312 3.22,313 3.834,314 1.081,315 11.538,316 2.879,317 4.094,318 3.516,319 5.922,320 3.733,321 2.732,322 3.515,323 0.522,324 8.18,325 2.724,326 3.878,327 3.107,328 5.81,329 3.537,330 2.556,331 3.237,332 0.473,333 7.857,334 2.489,335 3.77,336 2.699,337 5.436,338 3.376,339 2.378,340 3.155,342 7.117,343 2.353,344 3.352,345 2.245,346 5.16,347 2.929,348 1.937,349 2.7,351 5.686,352 1.92,353 3.314,354 2.109,355 5,356 2.882,357 1.924,358 2.535,360 5.647,361 1.823,362 2.929,363 1.828,364 4.573,365 2.501,366 1.566,367 2.05,369 4.61,370 1.439,371 2.904,372 1.811,373 4.398,374 2.431,375 1.424,376 2,378 3.827,379 1.409,380 2.672,381 1.662,382 3.87,383 2.181,384 1.174,385 1.68,387 2.861,388 1.165,389 2.624,390 1.203,391 3.825,392 2.131,393 1.151,394 1.642,395 2.844,396 1.124,397 2.5,398 1,399 3.489,400 2,401 1,402 1.5,403 2.275,404 1,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,411 2.275,412 1,413 2.16,414 0.827,415 3.414,416 1.699,417 0.716,418 1,419 1.789,420 0.702,421 16.157,422 0.462,423 1.184,424 0.034,425 45.25,426 1.293,427 23,428 0.657,429 22.25,430 0.636,431 29.438,432 0.841,433 37.243,434 0.665,435 40.672,436 1.162,437 9.139,438 0.261,439 7.521,440 0.215,441 0.115,442 0.062,443 0.303,444 3,447 0.594,448 0.888,449 0.643,450 0.913,451 0.6,452 0.832,453 0.387,454 0.789,455 0.709,456 0.963,457 0.35,458 0.96,459 0.606,460 0.94,461 0.845,462 1.106,463 0.541,464 1.079,465 0.947,466 0.96,467 1.067,468 1.065,469 0.91,470 1.093,471 0.932,472 0.766,473 1.057,474 0.9,475 0.927,476 0.983,477 0.571,478 0.668,479 0.86,480 0.907,481 0.603,482 0.971,483 0.702,484 0.679,485 0.965,486 0.93,487 0.776,488 1.013,489 0.816,490 0.884,491 1.136,492 1.152,493 0.811,494 1.243,495 9.5,496 0.297,497 5.222,498 2.882,499 1.818,500 1.629,501 0.882,502 0.613,503 0.492,504 0.452,505 18753,506 65879,507 2.075,508 37.5,510 14,511 1,513 2,515 4,517 1.767,518 1.909,519 3.683,520 0.162,525 93.081,526 1.662,527 3.626,528 4.378,529 5.003,530 5.222,531 5.222,532 3.198,533 4.593,534 5.096,535 3.912,536 2327.38,537 8.952,538 36459.6,542 325.212,543 1.695,544 5.035,545 0.244,546 0.008,547 0.093,548 0.05,549 0.033,550 0.034,551 0.018,552 0.012,553 0.011,554 0.011,555 0.514,556 0.17,557 0.63,558 0.819,559 189.949,560 -0.046,561 -0.005,562 0.011,563 0.058,564 -0.081,565 0.057,566 0.378,567 0.224,568 0.071,569 0.005,570 0.38,571 -0.058,572 -0.017,573 -0.143,574 -0.021,575 -0.148,576 0.03,577 -0.105,578 -0.095,579 -0.064,580 -0.122,581 -0.11,582 -0.072,583 -0.12,584 -0.125,585 0.029,586 -0.069,587 0.058,588 -0.104,589 0.034,590 -0.02,591 -0.003,592 0.038,593 0.054,594 -0.029,595 0.064,596 0.048,597 0.186,598 -0.06,599 0.037,600 -0.043,601 -0.028,602 -0.097,603 -0.148,604 -0.217,605 -0.189,606 -0.081,607 -0.238,608 5.642,609 6.377,610 0.686,611 41.791,612 1.026,613 1.129,614 4.485,615 20.117,616 0.689,617 3.689,618 4.094,619 4.344,620 4.585,621 4.787,622 4.913,623 5.088,624 5.136,625 5.198,626 5.347,627 7.976,628 0.681,629 478.5,630 3.689,631 5.283,632 6.159,633 7.076,634 7.971,635 8.891,636 9.795,637 10.716,638 11.627,639 12.55,640 3.6,644 1,645 1,650 2,651 13,656 5,657 1,658 22,661 1,663 1,670 56,671 24,672 3,673 39,675 60,676 27,677 20,678 7,679 11,680 2,681 5,682 6,685 1,688 2,689 1,690 1,691 2,693 22,694 5,695 1,696 2,698 2,701 2,705 3,707 21,708 7,709 2,710 8,714 2,717 0.8,718 3,727 1,729 1,730 1,731 3,734 1,746 1,748 4,754 3,756 35,759 1,760 3,761 1,766 2,772 3,773 5.4,775 1,776 2,779 18.333,780 9.995,781 7.347,782 3.277,785 4.154,786 1.505,787 1,788 5.689,789 12.387,790 3.97,791 4.618,792 5.206,793 5.794,794 6.314,795 6.614,796 7.038,797 7.337,798 7.618,799 8.04,800 1,801 58,802 13.439,803 6.448,804 8.257,805 23.967,806 20.601,807 2.757,808 96.5,812 223.651,813 163.956,814 19.91,816 92.973,817 44.88,819 163.956,820 316.624,821 64.79,823 25.186,824 122.762,825 98.588,826 65.28,827 13.915,828 211.88,829 7.76,830 223.651,831 183.866,832 137.854,835 176.567,836 184.938,839 34.844,840 149.022,843 268.531,844 112.883,845 163.956,848 231.41,849 33.434,850 124.661,851 18.011,852 137.854,853 223.651,854 157.763,855 163.956,857 0.606,858 0.342,859 0.171,860 0.088,861 31,862 14,863 0.1,864 6,865 1,866 1.083,867 4.501,868 342.821,869 0.083,870 24,871 162.015,874 23.196,875 8.585,876 4.692,877 1.544,878 155.864,879 20.592,884 1.477,885 1.855,886 60.694,887 545.37,888 52,890 24.518,893 -1.27,895 57.443,896 63.211,897 0.286,898 0.624,899 0.754,900 0.862,901 0.899,902 0.899,903 5.255,904 1.924,905 6.221,906 5.686,907 4.779,908 5.306,909 3.343,910 7.141,911 4.714,912 6.521,913 1.566,914 7.864,915 5.647,916 4.745,917 5.301,918 3.903,919 8.566,920 4.586,921 7.882,922 1.424,923 9.626,924 4.61,925 6.572,926 7.567,927 5.47,928 11.597,929 6.428,930 9.278,931 1.174,932 11.459,933 3.827,934 7.314,935 8.332,936 6.69,937 13.819,938 7.085,939 10.705,940 1.151,941 13.339,942 2.861,943 8.722,944 10.138,945 8.064,946 16.513,947 8.489,948 12.154,949 1,950 15.252,951 2.844,952 9.765,953 11.264,954 9.388,955 18.999,956 9.471,957 13.62,958 1,959 17.188,960 2.275,961 11.046,962 12.885,963 10.735,964 21.625,965 10.736,966 3.602,967 0.716,968 19.142,969 2.275,970 12.208,971 14.195,972 12.074,973 24.202,974 11.856,975 3.314,976 14.282,977 21.108,978 1.789,979 13.455,980 15.74,981 13.417,982 26.823,983 13.082,984 3.22,985 11.658,986 23.086,987 4.618,988 14.665,989 17.147,990 14.758,991 29.435,992 14.263,993 2.732,994 11.538,995 25.072,996 3.968,997 15.906,998 18.664,999 16.1,1000 32.063,1001 15.485,1002 2.556,1003 8.18,1004 27.064,1005 3.834,1006 17.138,1007 20.123,1008 17.441,1009 34.693,1010 16.696,1011 2.378,1012 7.857,1013 29.063,1014 3.515,1015 18.382,1016 21.633,1017 18.783,1018 37.33,1019 17.924,1020 1.937,1021 7.117,1022 31.066,1023 3.237,1024 19.626,1025 23.119,1026 20.124,1027 39.97,1028 19.151,1029 17744,1030 33449,1031 25.542,1032 38.563,1033 61.117,1034 61.28,1035 61.698,1036 60.206,1037 59.925,1038 78.457,1039 14.674,1040 186.241,1041 57.933,1042 5.654,1043 6.46,1044 7.242,1045 5.633,1046 5.602,1047 7.618,1048 5.335,1049 21.904,1050 5.532,1051 20.184,1052 1.567,1053 1.571,1054 1.582,1055 1.544,1056 1.537,1057 2.012,1058 0.376,1059 4.775,1060 1.485,1061 4.165,1062 4.196,1063 4.127,1064 4.076,1065 8.513,1066 4.084,1067 4.025,1068 4.056,1069 3.965,1070 3.956,1071 7.999,1072 3.954,1073 3.921,1074 3.946,1075 3.879,1076 3.855,1077 7.999,1078 3.853,1079 3.74,1080 3.772,1081 3.665,1082 3.629,1083 7.475,1084 3.63,1085 3.496,1086 3.542,1087 3.442,1088 3.345,1089 7.429,1090 3.354,1091 3.339,1092 3.375,1093 3.318,1094 3.135,1095 6.351,1096 3.161,1097 3.227,1098 3.26,1099 3.171,1100 3.001,1101 4.919,1102 3.033,1103 3.214,1104 3.208,1105 3.137,1106 2.95,1107 4.717,1108 2.996,1109 0.121,1110 0.114,1111 0.198,1112 0.118,1113 0.092,1114 4.709,1115 0.118,1116 4.46,1117 0.098,1118 7.714,1119 0.366,1120 4.583,1121 0.091,1122 3.602,1123 4.618,1124 3.825,1125 14.282,1126 3.532,1127 1.976,1128 1.953,1129 2.06,1130 2.075,1131 1.24,1132 2.07,1133 1.918,1134 1.896,1135 2.014,1136 2.003,1137 1.16,1138 2.005,1139 1.898,1140 1.878,1141 1.992,1142 1.972,1143 1.125,1144 1.978,1145 1.544,1146 1.494,1147 1.689,1148 1.733,1149 0.825,1150 1.722,1151 1.346,1152 1.314,1153 1.513,1154 1.593,1155 0.825,1156 1.55,1157 1.194,1158 1.165,1159 1.469,1160 1.433,1161 0.692,1162 1.429,1163 1.153,1164 1.064,1165 1.374,1166 1.376,1167 0.517,1168 1.38,1169 1.044,1170 1.027,1171 1.181,1172 1.368,1173 0.239,1174 1.293,1175 4.369,1176 1.946,1177 5.753,1178 4.111,1179 7.326,1180 6.168,1181 8.982,1182 8.16,1183 10.682,1187 38.668,1189 9.127,1190 1.801,1191 3.121,1196 -4.933,1199 38.132,1200 93.081,1201 203.067,1202 245.173,1203 280.192,1204 292.457,1205 292.457,1206 85.457,1207 8.232,1208 71.33,1209 71.33,1210 26,1211 13.059,1212 4.644,1213 3.807,1214 52.256,1215 163,1216 173,1217 0.153,1218 226.84,1219 405.16,1220 545.249,1221 47926,1222 5.4,1223 24.794,1224 0.708,1225 0.528,1226 22.294,1227 18.472,1228 16.66,1229 0.427,1230 0.284,1231 10.904,1232 16.003,1233 10.737,1234 8.78,1235 15.449,1236 11.066,1237 16.488,1238 0.279,1239 0.149,1240 14.531,1241 8.8,1242 12.994,1243 0.171,1244 0.082,1245 12.057,1246 6.205,1247 10.643,1248 0.11,1249 0.044,1250 9.944,1251 4.274,1252 8.257,1253 0.069,1254 0.024,1255 7.993,1256 2.831,1257 0.242,1258 104.901,1259 0.198,1260 32.278,1261 0.412,1262 196,1263 741.932,1264 224.461,1265 639.201,1266 838.97,1267 590,1268 236,1269 591.726,1270 257.62,1271 583.138,1272 878.08,1273 548,1274 5.194}
{0 CHEMBL1084551,1 1.673,2 13.147,3 5.629,4 31.682,5 121.894,6 8.482,7 0.595,8 4.117,9 4.215,10 3.77,11 3.691,12 5.358,13 3.696,14 4.644,15 4.778,16 4.221,17 4.083,18 6.3,19 4.077,20 4.874,21 5.043,22 4.229,23 4.228,24 6.129,25 4.192,26 5.027,27 5.226,28 4.223,29 4.219,30 6.323,31 4.183,32 4.982,33 5.187,34 4.143,35 4.16,36 6.241,37 4.117,38 4.935,39 5.156,40 4.047,41 4.138,42 6.142,43 4.077,44 4.835,45 5.012,46 4.144,47 4.16,48 6.116,49 4.116,50 4.944,51 5.142,52 4.098,53 4.126,54 6.244,55 4.081,56 0.172,57 0.955,58 8.392,59 5.177,60 33.962,61 5.537,62 0.939,63 1.921,64 17.449,65 8.565,66 161.649,67 9.558,68 0.473,69 1.832,70 23.13,71 11.167,72 64.664,73 13.261,74 0.934,75 2.072,76 31.776,77 12.543,78 135.776,79 14.367,80 0.831,81 1.901,82 31.01,83 12.111,84 134.593,85 14.307,86 1.088,87 1.871,88 31.73,89 11.54,90 160.591,91 13.637,92 0.573,93 1.709,94 23.585,95 10.968,96 79.894,97 13.08,98 0.833,99 1.948,100 29.516,101 12.027,102 137.485,103 13.579,104 54,105 54,106 0.272,107 0.585,108 0.735,109 0.851,110 0.882,111 0.882,112 3.561,113 0.852,114 -5.91,115 -5.77,116 -5.37,118 47.3,119 1,124 1,125 1,127 1,133 12,134 6,141 1,142 1,145 2,150 1,153 1,154 17,155 1,158 6,160 2,162 4,164 18,165 2,167 7,170 5,171 12,172 2,174 1,175 9,177 1,179 6,180 8,181 1,184 6,189 4,192 13,196 5,200 1,201 1,202 19,203 1,206 6,208 1,209 1,210 3,211 20,215 4,216 1,219 2,222 15,223 1,225 1,226 3,228 1,230 2,233 13,234 1,236 2244,237 22.195,238 22.195,239 22.195,240 22.195,241 22.195,242 19.425,243 23.821,244 12.718,245 22.583,246 18.235,247 18.235,248 18.235,249 18.235,250 18.235,251 13.946,252 32.929,253 5.987,254 18.932,255 4.108,256 2.184,257 1.26,258 0.55,259 0.355,260 0.355,261 4.249,266 1,267 951,268 4.583,270 78.389,271 324.631,274 149.112,277 2.164,278 57.917,280 0.75,281 0.67,282 1,283 0.6,284 0.5,285 1,286 1,287 0.79,288 76.5,289 447,290 4.668,291 4.46,292 7.116,293 4.219,294 3.322,295 4.618,296 3.825,297 11.693,298 3.163,299 4.45,300 3.63,301 6.895,302 4.173,303 3.234,304 3.865,305 1.437,306 11.551,307 2.903,308 4.206,309 3.576,310 6.091,311 3.866,312 2.875,313 3.785,314 1.081,315 8.792,316 2.846,317 3.941,318 3.149,319 5.89,320 3.64,321 2.651,322 3.287,323 0.522,324 8.085,325 2.607,326 3.816,327 2.992,328 5.76,329 3.492,330 2.515,331 3.131,332 0.473,333 7.723,334 2.436,335 3.737,336 2.707,337 5.451,338 3.353,339 2.357,340 3.092,342 7.158,343 2.319,344 3.352,345 2.095,346 5.018,347 2.883,348 1.932,349 2.699,351 5.729,352 1.824,353 3.032,354 2.077,355 4.535,356 2.624,357 1.639,358 2.167,360 4.466,361 1.604,362 2.905,363 1.82,364 4.451,365 2.475,366 1.522,367 2.042,369 4.283,370 1.427,371 2.834,372 1.759,373 4.067,374 2.347,375 1.334,376 1.868,378 3.231,379 1.336,380 2.627,381 1.405,382 3.809,383 2.137,384 1.158,385 1.678,387 2.861,388 1.127,389 2.569,390 1.227,391 3.618,392 2.088,393 1.106,394 1.599,395 2.535,396 1.076,397 2.5,398 1.152,399 3.49,400 2,401 1,402 1.5,403 2.463,404 1,405 2.37,406 1,407 3.414,408 1.976,409 0.977,410 1.292,411 2.275,412 0.967,413 2.135,414 0.794,415 3.289,416 1.66,417 0.664,418 0.942,419 1.633,420 0.659,421 15.657,422 0.461,423 1.128,424 0.033,425 44.25,426 1.301,427 23,428 0.676,429 21.25,430 0.625,431 28.227,432 0.83,433 36.543,434 0.664,435 40.514,436 1.192,437 9.184,438 0.27,439 6.946,440 0.204,441 0.151,442 0.032,443 0.345,444 3,447 0.604,448 0.915,449 0.657,450 0.945,451 0.617,452 0.859,453 0.396,454 0.76,455 0.695,456 0.927,457 0.356,458 0.924,459 0.6,460 0.966,461 0.849,462 1.147,463 0.544,464 1.112,465 0.961,466 0.948,467 1.058,468 1.028,469 0.933,470 1.06,471 0.892,472 0.915,473 0.998,474 1.023,475 0.886,476 1.042,477 0.946,478 0.64,479 1.077,480 0.754,481 1.01,482 0.896,483 0.614,484 0.876,485 0.857,486 1.071,487 0.621,488 1.071,489 1.02,490 1.037,491 1.09,492 1.08,493 1.02,494 1.108,495 8.5,496 0.224,497 4.667,498 2.785,499 1.786,500 1.48,501 0.838,502 0.621,503 0.579,504 0.373,505 16538,506 59998,507 2.018,508 38.2,510 15,511 1,513 2,515 3,517 1.761,518 1.846,519 3.653,520 0.177,525 92.015,526 1.673,527 3.597,528 4.522,529 5.231,530 5.427,531 5.427,532 3.106,533 4.514,534 5.056,535 3.865,536 2168.34,537 8.873,538 33335.1,542 317.975,543 1.667,544 4.989,545 0.23,546 0.007,547 0.086,548 0.051,549 0.034,550 0.031,551 0.019,552 0.012,553 0.013,554 0.009,555 0.492,556 0.17,557 0.75,558 0.86,559 182.803,560 -0.048,561 -0.02,562 0.006,563 0.042,564 -0.094,565 0.045,566 0.379,567 0.263,568 0.094,569 0.053,570 0.38,571 -0.012,572 -0.012,573 -0.167,574 -0.025,575 -0.179,576 0.03,577 -0.13,578 -0.101,579 -0.053,580 -0.104,581 -0.074,582 -0.085,583 -0.084,584 -0.094,585 -0.107,586 -0.036,587 -0.068,588 -0.075,589 -0.041,590 -0.074,591 0.271,592 -0.084,593 0.213,594 -0.135,595 0.11,596 0.026,597 -0.093,598 0.003,599 -0.094,600 0.021,601 -0.072,602 -0.126,603 -0.137,604 -0.119,605 -0.103,606 -0.124,607 -0.11,608 5.682,609 6.138,610 0.618,611 38.412,612 1.026,613 1.131,614 4.68,615 21.906,616 0.683,617 3.638,618 4.007,619 4.248,620 4.489,621 4.7,622 4.779,623 4.942,624 4.97,625 5.118,626 5.226,627 7.775,628 0.675,629 466.49,630 3.638,631 5.209,632 6.061,633 6.956,634 7.827,635 8.721,636 9.601,637 10.495,638 11.38,639 12.275,640 3.6,644 1,645 1,650 2,651 13,656 5,657 1,658 22,661 1,663 1,670 55,671 24,672 3,673 37,675 58,676 26,677 20,678 7,679 11,680 2,681 4,682 5,685 2,690 1,691 1,693 22,694 4,696 2,698 2,701 2,705 3,707 21,708 7,709 2,710 8,714 2,717 0.75,718 3,727 1,730 1,731 3,734 1,746 1,748 3,752 1,754 3,756 34,759 1,760 1,761 1,764 1,766 1,772 3,773 5.5,775 1,776 2,779 18.417,780 10.079,781 7.25,782 3.152,785 4.256,786 1.524,787 0.983,788 6.496,789 12.379,790 3.932,791 4.567,792 5.161,793 5.753,794 6.272,795 6.542,796 6.962,797 7.256,798 7.581,799 7.972,800 0.889,801 55,802 13.066,803 6.152,804 8.311,805 23.012,806 19.047,807 2.811,808 95.583,812 223.651,813 167.712,814 19.91,816 92.973,817 44.88,819 167.712,820 316.624,821 64.79,822 8.825,823 20.116,824 122.762,825 98.588,826 65.28,827 13.915,828 211.88,829 7.76,830 223.651,831 187.622,832 137.854,835 188.338,836 173.167,839 38.6,840 149.022,843 268.531,844 112.883,845 167.712,848 231.41,849 28.365,850 133.487,851 18.011,852 137.854,853 223.651,854 157.763,855 167.712,857 0.599,858 0.342,859 0.173,860 0.093,861 26,862 13,863 0.103,864 6,865 1,866 1.095,867 4.349,868 319.267,869 0.095,870 21,871 164.219,874 23.595,875 9.36,876 5.183,877 1.406,878 155.864,879 20.17,884 1.032,885 1.756,886 60.694,887 549.127,888 50,890 24.185,893 -1.374,895 56.443,896 62.211,897 0.289,898 0.622,899 0.782,900 0.905,901 0.939,902 0.939,903 5.19,904 1.639,905 6.098,906 5.729,907 4.691,908 5.255,909 3.343,910 6.957,911 4.622,912 6.435,913 1.522,914 7.7,915 4.466,916 4.511,917 5.173,918 3.903,919 8.109,920 4.321,921 7.768,922 1.334,923 9.41,924 4.283,925 6.378,926 7.498,927 5.47,928 11.138,929 6.218,930 9.137,931 1.158,932 11.184,933 3.231,934 6.976,935 8.214,936 6.69,937 13.088,938 6.689,939 10.537,940 1.106,941 12.998,942 2.861,943 8.385,944 10.056,945 8.064,946 15.704,947 8.102,948 11.958,949 1,950 14.841,951 2.535,952 9.309,953 11.159,954 9.388,955 17.959,956 8.914,957 13.397,958 0.977,959 16.704,960 2.463,961 10.556,962 12.8,963 10.735,964 20.455,965 10.137,966 3.322,967 0.664,968 18.583,969 2.275,970 11.62,971 14.104,972 12.074,973 22.829,974 11.105,975 3.234,976 11.693,977 20.474,978 1.633,979 12.813,980 15.662,981 13.417,982 25.29,983 12.254,984 2.875,985 11.551,986 22.376,987 4.618,988 13.939,989 17.07,990 14.758,991 27.71,992 13.297,993 2.651,994 8.792,995 24.285,996 3.865,997 15.116,998 18.597,999 16.1,1000 30.163,1001 14.419,1002 2.515,1003 8.085,1004 26.201,1005 3.785,1006 16.27,1007 20.059,1008 17.441,1009 32.602,1010 15.5,1011 2.357,1012 7.723,1013 28.123,1014 3.287,1015 17.446,1016 21.577,1017 18.783,1018 35.054,1019 16.616,1020 1.932,1021 7.158,1022 30.049,1023 3.131,1024 18.615,1025 23.068,1026 20.124,1027 37.501,1028 17.716,1029 16003,1030 30670,1031 23.868,1032 37.563,1033 57.744,1034 57.601,1035 58.222,1036 56.838,1037 56.571,1038 75.128,1039 14.674,1040 168.954,1041 54.583,1042 5.548,1043 6.46,1044 6.662,1045 5.249,1046 5.322,1047 7.618,1048 5.335,1049 18.935,1050 5.163,1051 21.067,1052 1.561,1053 1.557,1054 1.574,1055 1.536,1056 1.529,1057 2.03,1058 0.397,1059 4.566,1060 1.475,1061 4.158,1062 4.19,1063 4.122,1064 4.069,1065 8.513,1066 4.078,1067 3.951,1068 3.976,1069 3.894,1070 3.885,1071 7.999,1072 3.883,1073 3.921,1074 3.946,1075 3.879,1076 3.855,1077 7.999,1078 3.854,1079 3.584,1080 3.628,1081 3.518,1082 3.4,1083 7.475,1084 3.418,1085 3.453,1086 3.505,1087 3.392,1088 3.301,1089 7.429,1090 3.305,1091 3.321,1092 3.361,1093 3.295,1094 3.1,1095 6.351,1096 3.126,1097 3.235,1098 3.251,1099 3.177,1100 2.999,1101 4.918,1102 3.037,1103 3.13,1104 3.165,1105 2.987,1106 2.884,1107 4.7,1108 2.907,1109 0.126,1110 0.121,1111 0.192,1112 0.114,1113 0.09,1114 4.668,1115 0.125,1116 4.46,1117 0.103,1118 7.116,1119 0.316,1120 4.219,1121 0.085,1122 3.322,1123 4.618,1124 3.825,1125 11.693,1126 3.163,1127 1.979,1128 1.956,1129 2.066,1130 2.081,1131 1.245,1132 2.076,1133 1.933,1134 1.91,1135 2.041,1136 2.025,1137 1.202,1138 2.03,1139 1.9,1140 1.88,1141 1.995,1142 1.975,1143 1.128,1144 1.98,1145 1.546,1146 1.497,1147 1.73,1148 1.731,1149 0.85,1150 1.726,1151 1.484,1152 1.428,1153 1.684,1154 1.707,1155 0.818,1156 1.702,1157 1.197,1158 1.161,1159 1.393,1160 1.445,1161 0.518,1162 1.394,1163 1.063,1164 1.037,1165 1.258,1166 1.377,1167 0.278,1168 1.31,1169 1.036,1170 1.005,1171 1.204,1172 1.334,1173 0.263,1174 1.298,1175 4.317,1177 5.673,1178 2.398,1179 7.21,1180 4.727,1181 8.826,1182 6.843,1183 10.485,1185 1.787,1187 39.311,1189 9.047,1190 0.171,1191 2.915,1194 -0.391,1196 -4.432,1199 37.132,1200 92.015,1201 197.83,1202 248.691,1203 287.71,1204 298.465,1205 298.465,1206 91.089,1207 8.123,1208 71.33,1209 71.33,1210 23,1211 12.803,1212 4.644,1213 3.807,1214 56.901,1215 155,1216 170,1217 0.175,1218 224.641,1219 400.22,1220 539.884,1221 43207,1222 5.5,1223 24.457,1224 0.719,1225 0.533,1226 21.957,1227 18.135,1228 16.13,1229 0.436,1230 0.284,1231 10.35,1232 15.465,1233 10.147,1234 8.369,1235 14.919,1236 10.514,1237 15.71,1238 0.291,1239 0.148,1240 13.752,1241 8.007,1242 12.286,1243 0.178,1244 0.082,1245 11.323,1246 5.646,1247 10.035,1248 0.114,1249 0.044,1250 9.517,1251 3.891,1252 7.933,1253 0.073,1254 0.024,1255 7.293,1256 2.587,1257 0.277,1258 101.746,1259 0.205,1260 31.508,1261 0.473,1262 182,1263 727.932,1264 210.128,1265 624.945,1266 813.39,1267 576,1268 214,1269 566.444,1270 235.121,1271 557.716,1272 834.79,1273 523,1274 6.105}
{0 CHEMBL1084552,1 1.818,2 13.806,3 7.471,4 55.811,5 128.299,6 9.231,7 0.564,8 4.149,9 4.235,10 3.869,11 3.71,12 5.411,13 3.726,14 4.68,15 4.797,16 4.345,17 4.102,18 6.414,19 4.103,20 4.876,21 5.031,22 4.288,23 4.255,24 6.076,25 4.213,26 5.011,27 5.191,28 4.38,29 4.26,30 6.317,31 4.229,32 5.048,33 5.239,34 4.289,35 4.223,36 6.343,37 4.187,38 4.95,39 5.138,40 4.404,41 4.197,42 6.313,43 4.168,44 4.935,45 5.114,46 4.279,47 4.204,48 6.256,49 4.162,50 4.93,51 5.11,52 4.22,53 4.175,54 6.195,55 4.124,56 0.271,57 0.953,58 7.03,59 5.144,60 41.832,61 5.118,62 1.358,63 1.844,64 16.274,65 8.533,66 182.687,67 8.999,68 0.715,69 1.658,70 23.261,71 11.117,72 87.214,73 12.584,74 1.018,75 1.898,76 28.621,77 12.412,78 115.492,79 14.16,80 1.344,81 1.99,82 36.166,83 13.079,84 184.734,85 14.08,86 1.178,87 1.761,88 32.695,89 12.215,90 167.067,91 13.661,92 1.241,93 1.848,94 28.847,95 11.73,96 151.794,97 12.653,98 0.976,99 1.699,100 28.177,101 11.953,102 133.446,103 13.27,104 70,105 57,106 0.295,107 0.631,108 0.778,109 0.877,110 0.885,111 0.885,112 3.616,113 0.858,114 -5.6,115 -5.47,116 -5.11,118 46.4,119 1,124 1,125 1,128 1,133 11,134 5,135 2,141 1,142 1,145 2,150 1,153 1,154 13,155 1,158 8,160 2,162 4,164 17,165 2,167 8,170 5,171 11,172 2,174 1,175 9,177 1,179 6,180 9,181 1,183 1,184 7,189 4,192 13,196 5,200 1,201 1,202 13,203 1,206 9,208 1,209 1,210 3,211 19,215 4,216 1,222 15,223 1,225 2,226 5,228 2,230 3,233 14,234 1,236 2670,237 23.273,238 23.273,239 23.273,240 23.273,241 23.273,242 20.44,243 26.157,244 13.359,245 23.985,246 19.265,247 19.265,248 19.265,249 19.265,250 19.265,251 14.864,252 36.47,253 6.36,254 20.579,255 3.989,256 1.917,257 1.006,258 0.398,259 0.348,260 0.348,261 4.302,262 1,267 1050,268 4.743,270 84.127,271 347.952,274 159.845,277 2.316,278 60.339,280 0.5,281 0.83,282 0.83,283 0.5,284 0.5,285 0.83,286 1,287 0.71,288 81.833,289 497,290 4.668,291 4.437,292 6.896,293 4.213,294 3.238,295 4.618,296 4.032,297 11.555,298 3.162,299 4.262,300 3.63,301 6.459,302 3.923,303 3.145,304 3.839,305 1.437,306 10.213,307 2.847,308 4.206,309 3.576,310 6.091,311 3.866,312 2.876,313 3.785,314 1.081,315 8.794,316 2.686,317 4.025,318 3.182,319 5.891,320 3.674,321 2.741,322 3.283,323 0.522,324 8.188,325 2.597,326 3.927,327 3.056,328 5.783,329 3.616,330 2.635,331 3.126,332 0.473,333 8.018,334 2.4,335 3.764,336 2.969,337 5.668,338 3.401,339 2.407,340 3.111,341 0.394,342 7.538,343 2.28,344 3.471,345 2.532,346 5.193,347 3.068,348 2.117,349 2.81,351 6.351,352 1.969,353 3.221,354 2.41,355 4.842,356 2.763,357 1.885,358 2.458,360 5.389,361 1.688,362 3.173,363 2.08,364 4.701,365 2.705,366 1.753,367 2.427,369 5.076,370 1.604,371 3.032,372 1.88,373 4.493,374 2.624,375 1.639,376 2.166,378 4.396,379 1.531,380 2.836,381 1.818,382 4.067,383 2.349,384 1.336,385 1.87,387 3.231,388 1.34,389 2.63,390 1.405,391 3.809,392 2.137,393 1.155,394 1.683,395 2.858,396 1.129,397 2.5,398 1.2,399 3.618,400 2,401 1,402 1.5,403 2.463,404 1,405 2.37,406 1,407 3.414,408 1.976,409 0.977,410 1.292,411 2.275,412 0.967,413 2.136,414 0.801,415 3.293,416 1.662,417 0.667,418 0.943,419 1.641,420 0.66,421 16.705,422 0.464,423 1.261,424 0.035,425 46.5,426 1.292,427 23.5,428 0.653,429 23,430 0.639,431 31.504,432 0.875,433 39.095,434 0.698,435 43.331,436 1.204,437 9.62,438 0.267,439 7.377,440 0.205,441 0.184,442 0.03,443 0.353,446 3,447 0.648,448 0.943,449 0.57,450 0.923,451 0.635,452 0.834,453 0.299,454 0.643,455 0.602,456 0.815,457 0.281,458 0.877,459 0.588,460 0.815,461 0.914,462 1.09,463 0.497,464 1.122,465 0.676,466 0.879,467 0.778,468 1.043,469 0.663,470 1.063,471 1.027,472 0.923,473 1.116,474 0.998,475 1.047,476 1.057,477 0.688,478 0.875,479 0.767,480 0.965,481 0.738,482 0.932,483 0.913,484 0.74,485 1.02,486 0.887,487 0.958,488 1.012,489 0.82,490 0.861,491 0.965,492 1.033,493 0.795,494 1.104,495 10,496 0.331,497 4,498 3.347,499 1.879,500 1.757,501 0.902,502 0.712,503 0.549,504 0.434,505 19196,506 77144,507 2.001,508 35.7,510 14,511 1,513 2,515 3,517 1.775,518 1.823,519 3.708,520 0.204,525 101.807,526 1.818,527 3.891,528 4.802,529 5.41,530 5.459,531 5.459,532 3.216,533 4.816,534 5.138,535 3.935,536 2479.02,537 9.04,538 39894.1,542 325.212,543 1.68,544 5.067,545 0.256,546 0.009,547 0.07,548 0.06,549 0.033,550 0.034,551 0.017,552 0.014,553 0.011,554 0.009,555 0.514,556 0.17,557 0.75,558 1.001,559 197.277,560 -0.059,561 -0.043,562 0.001,563 0.01,564 -0.103,565 0.03,566 0.521,567 0.383,568 0.109,569 0.125,570 0.467,571 0.004,572 -0.036,573 -0.101,574 -0.096,575 -0.144,576 -0.002,577 -0.139,578 0.006,579 -0.124,580 0.056,581 -0.112,582 0.013,583 -0.066,584 -0.144,585 -0.043,586 -0.131,587 -0.033,588 -0.15,589 -0.051,590 0.075,591 -0.043,592 0.216,593 0.01,594 0.048,595 0.098,596 -0.048,597 0.208,598 -0.102,599 0.083,600 -0.11,601 -0.028,602 -0.089,603 -0.119,604 -0.048,605 -0.07,606 -0.079,607 -0.083,608 6.099,609 6.2,610 0.583,611 43.25,612 1.037,613 1.132,614 4.373,615 19.125,616 0.694,617 3.689,618 4.06,619 4.263,620 4.554,621 4.736,622 4.875,623 4.97,624 5.081,625 5.165,626 5.283,627 8.132,628 0.691,629 516.93,630 3.689,631 5.263,632 6.103,633 7.002,634 7.86,635 8.761,636 9.628,637 10.53,638 11.403,639 12.306,640 3.6,644 1,645 1,650 2,651 12,656 6,657 1,658 22,661 1,663 1,668 1,669 1,670 56,671 24,672 3,673 39,675 59,676 26,677 20,678 8,679 10,680 2,681 4,682 5,683 1,685 1,691 1,693 22,694 4,696 2,698 2,701 2,705 3,707 20,708 8,709 2,710 10,711 1,714 2,717 0.75,718 4,727 1,730 1,731 3,734 1,746 1,748 3,752 1,753 1,754 3,756 36,759 1,760 1,761 1,762 1,764 1,766 1,772 4,773 7.1,775 1,776 2,778 1,779 19.75,780 10.305,781 7.625,782 3.153,785 4.289,786 1.519,787 0.973,788 7.412,789 12.552,790 3.97,791 4.608,792 5.17,793 5.788,794 6.291,795 6.599,796 6.97,797 7.328,798 7.614,799 8.003,800 1,801 56,802 13.997,803 6.606,804 8.357,805 24.107,806 19.723,807 2.857,808 102.861,812 211.88,813 165.852,814 19.91,815 39.149,816 103.973,817 44.88,819 165.852,820 355.002,821 64.79,822 8.825,823 20.116,824 113.286,825 98.588,826 81.839,827 13.915,828 200.109,829 48.966,830 211.88,831 185.762,832 148.853,833 39.149,835 176.567,836 139.286,837 44.88,838 9.817,839 30.841,840 145.104,841 39.149,843 256.76,844 123.883,845 205.001,848 221.697,849 33.924,850 124.01,851 18.011,852 188.002,853 211.88,854 168.763,855 205.001,857 0.597,858 0.323,859 0.174,860 0.092,861 27,862 14,863 0.119,864 7,865 1,866 1.095,867 4.49,868 343.823,869 0.095,870 21,871 177.362,874 25.771,875 10.353,876 6.287,877 1.372,878 166.864,879 18.823,884 1.365,885 1.75,886 60.694,887 585.644,888 52,890 24.269,893 -1.398,895 58.094,896 63.365,897 0.313,898 0.67,899 0.827,900 0.932,901 0.94,902 0.94,903 5.234,904 1.885,905 6.142,906 6.351,907 4.745,908 5.296,909 3.447,910 6.984,911 4.634,912 6.48,913 1.753,914 7.727,915 5.389,916 4.575,917 5.247,918 4.042,919 8.059,920 4.314,921 7.812,922 1.639,923 9.411,924 5.076,925 6.415,926 7.531,927 5.674,928 11.065,929 6.193,930 9.174,931 1.336,932 11.15,933 4.396,934 6.976,935 8.244,936 6.952,937 12.905,938 6.622,939 10.563,940 1.155,941 12.925,942 3.231,943 8.37,944 10.072,945 8.378,946 15.493,947 8.033,948 11.972,949 1,950 14.723,951 2.858,952 9.247,953 11.167,954 9.758,955 17.657,956 8.81,957 13.396,958 0.977,959 16.539,960 2.463,961 10.476,962 12.803,963 11.156,964 20.115,965 10.033,966 3.238,967 0.667,968 18.369,969 2.275,970 11.496,971 14.103,972 12.548,973 22.421,974 10.981,975 3.145,976 11.555,977 20.21,978 1.641,979 12.664,980 15.659,981 13.943,982 24.844,983 12.129,984 2.876,985 10.213,986 22.061,987 4.618,988 13.75,989 17.065,990 15.337,991 27.215,992 13.162,993 2.741,994 8.794,995 23.92,996 3.839,997 14.898,998 18.591,999 16.732,1000 29.634,1001 14.285,1002 2.635,1003 8.188,1004 25.786,1005 3.785,1006 16.015,1007 20.054,1008 18.126,1009 32.036,1010 15.361,1011 2.407,1012 8.018,1013 27.658,1014 3.283,1015 17.16,1016 21.571,1017 19.52,1018 34.458,1019 16.479,1020 2.117,1021 7.538,1022 29.536,1023 3.126,1024 18.294,1025 23.063,1026 20.915,1027 36.876,1028 17.58,1029 18660,1030 37720,1031 24.967,1032 38.875,1033 60.443,1034 60.341,1035 61.168,1036 59.644,1037 59.143,1038 77.823,1039 15.876,1040 175.974,1041 55.719,1042 5.548,1043 6.437,1044 6.423,1045 5.274,1046 5.238,1047 7.618,1048 5.542,1049 18.796,1050 5.162,1051 23.478,1052 1.55,1053 1.547,1054 1.568,1055 1.529,1056 1.516,1057 1.995,1058 0.407,1059 4.512,1060 1.429,1061 4.157,1062 4.188,1063 4.13,1064 4.069,1065 8.516,1066 4.077,1067 3.951,1068 3.976,1069 3.986,1070 3.885,1071 7.999,1072 3.883,1073 3.903,1074 3.917,1075 3.894,1076 3.843,1077 7.999,1078 3.84,1079 3.583,1080 3.627,1081 3.524,1082 3.399,1083 7.475,1084 3.417,1085 3.458,1086 3.501,1087 3.516,1088 3.297,1089 7.429,1090 3.299,1091 3.39,1092 3.422,1093 3.386,1094 3.074,1095 6.351,1096 3.105,1097 3.247,1098 3.259,1099 3.261,1100 2.972,1101 4.973,1102 3.052,1103 3.135,1104 3.167,1105 3.159,1106 2.916,1107 4.883,1108 2.928,1109 0.12,1110 0.114,1111 0.177,1112 0.108,1113 0.083,1114 4.668,1115 0.118,1116 4.437,1117 0.103,1118 6.896,1119 0.296,1120 4.213,1121 0.081,1122 3.238,1123 4.618,1124 4.032,1125 11.555,1126 3.162,1127 1.975,1128 1.953,1129 2.06,1130 2.076,1131 1.239,1132 2.07,1133 1.929,1134 1.907,1135 2.027,1136 2.018,1137 1.199,1138 2.023,1139 1.882,1140 1.866,1141 1.967,1142 1.959,1143 1.114,1144 1.964,1145 1.539,1146 1.492,1147 1.729,1148 1.724,1149 0.85,1150 1.721,1151 1.481,1152 1.425,1153 1.665,1154 1.704,1155 0.792,1156 1.694,1157 1.178,1158 1.144,1159 1.376,1160 1.521,1161 0.504,1162 1.404,1163 1.045,1164 1.035,1165 1.257,1166 1.386,1167 0.278,1168 1.335,1169 1.03,1170 1.011,1171 1.181,1172 1.338,1173 0.218,1174 1.298,1175 4.369,1177 5.727,1178 2.398,1179 7.252,1180 4.727,1181 8.856,1182 6.843,1183 10.505,1185 1.779,1186 6.008,1187 38.019,1189 9.064,1190 0.148,1191 2.912,1192 4.008,1194 -0.408,1196 -4.849,1199 38.674,1200 101.807,1201 217.874,1202 268.893,1203 302.947,1204 305.702,1205 305.702,1206 98.996,1207 8.264,1208 80.56,1209 80.56,1210 23,1211 12.832,1212 4.644,1213 3.807,1214 62.121,1215 171,1216 190,1217 0.172,1218 236.97,1219 424.22,1220 569.967,1221 51660,1222 7.1,1223 26.035,1224 0.723,1225 0.544,1226 24.035,1227 19.6,1228 16.997,1229 0.436,1230 0.286,1231 10.61,1232 15.907,1233 10.386,1234 8.546,1235 16.139,1236 11.15,1237 16.924,1238 0.297,1239 0.151,1240 14.975,1241 8.589,1242 12.317,1243 0.176,1244 0.082,1245 12.229,1246 5.774,1247 10.867,1248 0.116,1249 0.045,1250 10.501,1251 4.197,1252 8.049,1253 0.071,1254 0.024,1255 8.036,1256 2.667,1257 0.273,1258 110.885,1259 0.2,1260 33.041,1261 0.465,1262 192,1263 809.871,1264 241.679,1265 725.831,1266 935.7,1267 668,1268 223,1269 632.579,1270 255.788,1271 630.32,1272 943.01,1273 589,1274 6.585}
{0 CHEMBL1084553,1 1.673,2 13.676,3 5.629,4 31.682,5 121.894,6 8.482,7 0.595,8 4.117,9 4.215,10 3.77,11 3.691,12 5.358,13 3.696,14 4.644,15 4.778,16 4.221,17 4.083,18 6.3,19 4.077,20 4.874,21 5.043,22 4.229,23 4.228,24 6.13,25 4.192,26 5.027,27 5.225,28 4.21,29 4.213,30 6.339,31 4.175,32 4.979,33 5.197,34 4.065,35 4.143,36 6.199,37 4.087,38 4.837,39 5.043,40 4.001,41 4.12,42 5.946,43 4.05,44 4.869,45 5.066,46 4.076,47 4.138,48 6.132,49 4.078,50 4.882,51 5.081,52 4.009,53 4.105,54 6.117,55 4.039,56 0.172,57 0.955,58 8.392,59 5.177,60 33.962,61 5.537,62 0.939,63 1.921,64 17.449,65 8.565,66 161.538,67 9.558,68 0.473,69 1.832,70 23.13,71 11.167,72 65.025,73 13.261,74 0.931,75 2.069,76 31.668,77 12.543,78 128.735,79 14.359,80 0.926,81 1.818,82 32.54,83 12.085,84 150.603,85 14.401,86 0.609,87 1.552,88 26.022,89 10.832,90 109.183,91 13.53,92 0.9,93 1.76,94 26.82,95 10.99,96 111.912,97 13.166,98 0.691,99 1.688,100 27.11,101 11.349,102 107.722,103 13.516,104 54,105 54,106 0.272,107 0.585,108 0.719,109 0.823,110 0.859,111 0.859,112 3.56,113 0.852,114 -5.91,115 -5.77,116 -5.37,118 47.3,119 1,124 1,125 1,127 1,133 12,134 6,141 1,142 1,145 2,150 1,153 1,154 17,155 1,158 6,160 2,162 4,164 18,165 2,167 7,170 5,171 12,172 2,174 1,175 9,177 1,179 6,180 8,181 1,184 6,189 4,192 13,196 5,200 1,201 1,202 19,203 1,206 6,208 1,209 1,210 3,211 20,215 4,216 1,219 2,222 15,223 1,225 1,226 3,228 1,230 2,233 13,234 1,236 2300,237 22.195,238 22.195,239 22.195,240 22.195,241 22.195,242 19.425,243 23.821,244 12.675,245 22.583,246 18.218,247 18.218,248 18.218,249 18.218,250 18.218,251 13.94,252 31.458,253 5.957,254 18.915,255 4.108,256 2.184,257 1.36,258 0.723,259 0.5,260 0.5,261 4.249,266 1,267 988,268 4.583,270 81.135,271 329.194,274 153.721,277 2.324,278 56.435,280 0.75,281 0.67,282 1,283 0.6,284 0.5,285 1,286 1,287 0.79,288 76.5,289 465,290 4.668,291 4.46,292 7.111,293 4.215,294 3.314,295 4.618,296 3.825,297 11.658,298 3.162,299 4.438,300 3.63,301 6.895,302 4.168,303 3.235,304 3.834,305 1.437,306 11.554,307 2.88,308 4.206,309 3.576,310 6.091,311 3.866,312 2.875,313 3.785,314 1.081,315 8.792,316 2.846,317 3.944,318 3.149,319 5.89,320 3.641,321 2.652,322 3.293,323 0.522,324 8.084,325 2.609,326 3.837,327 2.992,328 5.76,329 3.507,330 2.524,331 3.179,332 0.473,333 7.71,334 2.459,335 3.744,336 2.698,337 5.434,338 3.359,339 2.359,340 3.11,342 7.101,343 2.343,344 3.352,345 2.111,346 5.001,347 2.883,348 1.932,349 2.7,351 5.683,352 1.823,353 3.032,354 2.079,355 4.579,356 2.624,357 1.639,358 2.167,360 4.627,361 1.604,362 2.917,363 1.828,364 4.489,365 2.5,366 1.566,367 2.034,369 4.384,370 1.423,371 2.835,372 1.811,373 4.068,374 2.348,375 1.335,376 1.868,378 3.232,379 1.337,380 2.628,381 1.405,382 3.81,383 2.136,384 1.155,385 1.68,387 2.86,388 1.128,389 2.5,390 1.202,391 3.618,392 2,393 1,394 1.5,395 2.463,396 1,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,403 2.275,404 1,405 2.37,406 1,407 3.414,408 1.976,409 0.977,410 1.292,411 2.275,412 0.967,413 2.138,414 0.806,415 3.295,416 1.666,417 0.671,418 0.947,419 1.649,420 0.664,421 15.657,422 0.461,423 1.128,424 0.033,425 44.25,426 1.301,427 23,428 0.676,429 21.25,430 0.625,431 27.964,432 0.822,433 36.543,434 0.664,435 40.218,436 1.183,437 9.184,438 0.27,439 6.946,440 0.204,441 0.151,442 0.032,443 0.345,444 3,447 0.604,448 0.915,449 0.657,450 0.945,451 0.617,452 0.859,453 0.396,454 0.76,455 0.695,456 0.927,457 0.357,458 0.924,459 0.6,460 0.966,461 0.849,462 1.147,463 0.544,464 1.112,465 0.963,466 0.962,467 1.08,468 1.056,469 0.923,470 1.092,471 0.925,472 0.781,473 1.045,474 0.91,475 0.917,476 0.983,477 0.587,478 0.67,479 0.888,480 0.924,481 0.617,482 0.996,483 0.725,484 0.686,485 1.017,486 0.94,487 0.797,488 1.051,489 0.778,490 0.859,491 1.026,492 1.073,493 0.778,494 1.132,495 8.5,496 0.306,497 4.889,498 2.66,499 1.688,500 1.535,501 0.81,502 0.576,503 0.474,504 0.443,505 16970,506 62286,507 2.018,508 38.2,510 15,511 1,513 2,515 3,517 1.76,518 1.846,519 3.692,520 0.177,525 92.015,526 1.673,527 3.597,528 4.421,529 5.058,530 5.281,531 5.281,532 3.195,533 4.359,534 5.054,535 3.919,536 2198.49,537 8.863,538 34150.7,542 317.975,543 1.667,544 4.989,545 0.23,546 0.009,547 0.091,548 0.048,549 0.033,550 0.034,551 0.018,552 0.013,553 0.011,554 0.011,555 0.498,556 0.17,557 0.75,558 0.86,559 183.612,560 -0.048,561 -0.02,562 0.006,563 0.042,564 -0.094,565 0.045,566 0.379,567 0.263,568 0.094,569 0.053,570 0.379,571 -0.012,572 -0.012,573 -0.167,574 -0.025,575 -0.179,576 0.031,577 -0.13,578 -0.102,579 -0.068,580 -0.126,581 -0.103,582 -0.076,583 -0.116,584 -0.121,585 0.017,586 -0.059,587 0.045,588 -0.101,589 0.031,590 -0.027,591 -0.004,592 0.01,593 0.036,594 -0.033,595 0.037,596 0.038,597 0.177,598 -0.098,599 0.03,600 -0.049,601 -0.058,602 -0.072,603 -0.118,604 -0.099,605 -0.106,606 -0.066,607 -0.116,608 5.644,609 6.132,610 0.618,611 40.917,612 1.026,613 1.131,614 4.68,615 21.906,616 0.683,617 3.638,618 4.007,619 4.248,620 4.477,621 4.682,622 4.796,623 4.92,624 4.963,625 5.1,626 5.247,627 8.015,628 0.675,629 466.49,630 3.638,631 5.209,632 6.061,633 6.954,634 7.824,635 8.717,636 9.594,637 10.488,638 11.37,639 12.266,640 3.6,644 1,645 1,650 2,651 13,656 5,657 1,658 22,661 1,663 1,670 55,671 24,672 3,673 37,675 58,676 26,677 20,678 7,679 11,680 2,681 4,682 5,685 2,690 1,691 1,693 22,694 4,696 2,698 2,701 2,705 3,707 21,708 7,709 2,710 8,714 2,717 0.75,718 3,727 1,730 1,731 3,734 1,746 1,748 3,752 1,754 3,756 34,759 1,760 1,761 1,764 1,766 1,772 3,773 5.5,775 1,776 2,779 18.417,780 10.079,781 7.25,782 3.152,785 4.226,786 1.52,787 0.983,788 6.496,789 12.349,790 3.932,791 4.567,792 5.161,793 5.746,794 6.268,795 6.554,796 6.947,797 7.252,798 7.573,799 7.994,800 1,801 55,802 13.03,803 6.113,804 8.311,805 23.012,806 19.047,807 2.811,808 95.583,812 223.651,813 167.712,814 19.91,816 92.973,817 44.88,819 167.712,820 316.624,821 64.79,822 8.825,823 20.116,824 122.762,825 98.588,826 65.28,827 13.915,828 211.88,829 7.76,830 223.651,831 187.622,832 137.854,835 188.338,836 173.167,839 38.6,840 149.022,843 268.531,844 112.883,845 167.712,848 231.41,849 28.365,850 133.487,851 18.011,852 137.854,853 223.651,854 157.763,855 167.712,857 0.6,858 0.342,859 0.17,860 0.089,861 26,862 13,863 0.103,864 6,865 1,866 1.095,867 4.383,868 316.702,869 0.095,870 21,871 158.219,874 23.595,875 9.36,876 5.183,877 1.506,878 155.864,879 20.212,884 1.314,885 1.833,886 60.694,887 549.127,888 50,890 24.177,893 -1.337,895 56.443,896 62.211,897 0.289,898 0.622,899 0.765,900 0.875,901 0.913,902 0.913,903 5.19,904 1.639,905 6.098,906 5.683,907 4.691,908 5.255,909 3.343,910 6.956,911 4.622,912 6.435,913 1.566,914 7.7,915 4.627,916 4.511,917 5.173,918 3.903,919 8.109,920 4.321,921 7.768,922 1.335,923 9.41,924 4.384,925 6.378,926 7.498,927 5.47,928 11.132,929 6.218,930 9.137,931 1.155,932 11.183,933 3.232,934 6.976,935 8.214,936 6.69,937 13.083,938 6.689,939 10.536,940 1,941 12.997,942 2.86,943 8.384,944 10.054,945 8.064,946 15.695,947 8.1,948 11.957,949 1,950 14.839,951 2.463,952 9.306,953 11.156,954 9.388,955 17.95,956 8.91,957 13.396,958 0.977,959 16.702,960 2.275,961 10.552,962 12.797,963 10.735,964 20.443,965 10.131,966 3.314,967 0.671,968 18.58,969 2.275,970 11.615,971 14.099,972 12.074,973 22.816,974 11.097,975 3.235,976 11.658,977 20.471,978 1.649,979 12.806,980 15.656,981 13.417,982 25.275,983 12.244,984 2.875,985 11.554,986 22.371,987 4.618,988 13.931,989 17.064,990 14.758,991 27.695,992 13.285,993 2.652,994 8.792,995 24.28,996 3.834,997 15.106,998 18.59,999 16.1,1000 30.145,1001 14.406,1002 2.524,1003 8.084,1004 26.196,1005 3.785,1006 16.259,1007 20.053,1008 17.441,1009 32.583,1010 15.485,1011 2.359,1012 7.71,1013 28.117,1014 3.293,1015 17.433,1016 21.57,1017 18.783,1018 35.033,1019 16.599,1020 1.932,1021 7.101,1022 30.043,1023 3.179,1024 18.6,1025 23.062,1026 20.124,1027 37.478,1028 17.699,1029 16411,1030 31646,1031 23.868,1032 37.563,1033 57.677,1034 57.411,1035 58.28,1036 56.757,1037 56.473,1038 75.017,1039 14.674,1040 168.695,1041 54.492,1042 5.547,1043 6.46,1044 6.639,1045 5.244,1046 5.314,1047 7.618,1048 5.335,1049 18.898,1050 5.162,1051 21.26,1052 1.559,1053 1.552,1054 1.575,1055 1.534,1056 1.526,1057 2.027,1058 0.397,1059 4.559,1060 1.473,1061 4.158,1062 4.189,1063 4.121,1064 4.069,1065 8.513,1066 4.078,1067 3.951,1068 3.976,1069 3.894,1070 3.885,1071 7.999,1072 3.883,1073 3.92,1074 3.946,1075 3.879,1076 3.854,1077 7.999,1078 3.853,1079 3.585,1080 3.63,1081 3.52,1082 3.402,1083 7.475,1084 3.419,1085 3.463,1086 3.514,1087 3.406,1088 3.305,1089 7.429,1090 3.311,1091 3.323,1092 3.36,1093 3.29,1094 3.122,1095 6.351,1096 3.146,1097 3.227,1098 3.241,1099 3.17,1100 2.993,1101 4.918,1102 3.028,1103 3.123,1104 3.161,1105 2.98,1106 2.868,1107 4.7,1108 2.893,1109 0.126,1110 0.121,1111 0.192,1112 0.114,1113 0.09,1114 4.668,1115 0.125,1116 4.46,1117 0.103,1118 7.111,1119 0.315,1120 4.215,1121 0.085,1122 3.314,1123 4.618,1124 3.825,1125 11.658,1126 3.162,1127 1.979,1128 1.956,1129 2.066,1130 2.08,1131 1.244,1132 2.076,1133 1.933,1134 1.909,1135 2.041,1136 2.025,1137 1.202,1138 2.03,1139 1.9,1140 1.88,1141 1.994,1142 1.975,1143 1.128,1144 1.98,1145 1.549,1146 1.5,1147 1.73,1148 1.735,1149 0.85,1150 1.728,1151 1.485,1152 1.43,1153 1.684,1154 1.709,1155 0.824,1156 1.704,1157 1.214,1158 1.179,1159 1.394,1160 1.447,1161 0.523,1162 1.405,1163 1.044,1164 1.031,1165 1.258,1166 1.37,1167 0.278,1168 1.298,1169 1.009,1170 0.964,1171 1.181,1172 1.321,1173 0.228,1174 1.289,1175 4.317,1177 5.673,1178 2.398,1179 7.21,1180 4.727,1181 8.825,1182 6.843,1183 10.482,1185 1.801,1187 38.559,1189 9.047,1190 0.304,1191 2.934,1194 -0.371,1196 -4.394,1199 37.132,1200 92.015,1201 197.83,1202 243.181,1203 278.2,1204 290.465,1205 290.465,1206 88.937,1207 8.123,1208 71.33,1209 71.33,1210 23,1211 12.794,1212 4.644,1213 3.807,1214 56.984,1215 159,1216 170,1217 0.17,1218 224.641,1219 400.22,1220 539.884,1221 43207,1222 5.5,1223 24.457,1224 0.719,1225 0.533,1226 21.957,1227 18.135,1228 16.13,1229 0.436,1230 0.284,1231 10.35,1232 15.465,1233 10.147,1234 8.368,1235 14.919,1236 10.514,1237 15.698,1238 0.291,1239 0.148,1240 13.74,1241 8.004,1242 12.35,1243 0.179,1244 0.082,1245 11.414,1246 5.673,1247 10.008,1248 0.115,1249 0.044,1250 9.308,1251 3.844,1252 7.709,1253 0.072,1254 0.024,1255 7.445,1256 2.562,1257 0.271,1258 101.746,1259 0.205,1260 31.672,1261 0.456,1262 182,1263 727.932,1264 210.128,1265 624.88,1266 813.37,1267 576,1268 214,1269 566.444,1270 235.121,1271 557.581,1272 834.55,1273 523,1274 6.237}
{0 CHEMBL1085040,1 1.637,2 12.313,3 6.015,4 36.183,5 125.53,6 8.988,7 0.629,8 4.054,9 4.145,10 3.772,11 3.695,12 5.25,13 3.67,14 4.548,15 4.675,16 4.182,17 4.099,18 5.814,19 4.054,20 4.824,21 4.984,22 4.243,23 4.244,24 5.977,25 4.168,26 4.922,27 5.111,28 4.257,29 4.226,30 6.1,31 4.149,32 4.911,33 5.103,34 4.241,35 4.173,36 6.138,37 4.094,38 4.816,39 5.015,40 4.105,41 4.156,42 5.908,43 4.065,44 4.788,45 4.95,46 4.233,47 4.198,48 6.005,49 4.109,50 4.84,51 5.023,52 4.156,53 4.158,54 6.022,55 4.046,56 0.081,57 0.659,58 7.333,59 4.364,60 12.444,61 5.099,62 0.281,63 1.087,64 14.525,65 7.387,66 40.517,67 9.015,68 0.314,69 1.385,70 26.393,71 10.603,72 44.635,73 12.798,74 0.498,75 1.544,76 29.182,77 11.607,78 62.715,79 13.926,80 0.665,81 1.456,82 35.3,83 11.814,84 85.564,85 14.028,86 0.454,87 1.358,88 28.875,89 10.915,90 73.685,91 13.253,92 0.436,93 1.277,94 27.819,95 10.588,96 55.962,97 12.674,98 0.518,99 1.32,100 32.045,101 11.395,102 77.919,103 13.161,104 38,105 50,106 0.269,107 0.6,108 0.761,109 0.875,110 0.89,111 0.89,112 3.502,113 0.921,114 -6.08,115 -5.93,116 -5.51,118 48.1,119 1,124 1,125 1,133 11,134 5,135 2,141 1,142 1,145 2,150 1,153 1,154 13,155 1,158 6,160 2,162 4,164 18,165 2,167 7,170 5,171 14,172 2,174 1,175 6,177 1,179 5,180 10,181 1,184 9,189 5,192 13,196 5,200 1,201 1,202 13,203 1,206 6,208 1,209 1,210 3,211 20,215 3,216 1,219 1,222 17,223 1,225 1,226 4,228 1,230 3,233 14,234 1,236 1940,237 21.17,238 21.17,239 21.17,240 21.17,241 21.17,242 18.285,243 22.569,244 12.267,245 21.58,246 17.26,247 17.26,248 17.26,249 17.26,250 17.26,251 12.827,252 29.558,253 5.827,254 17.997,255 4.063,256 2.05,257 1.069,258 0.375,259 0.284,260 0.284,261 4.193,262 2,266 1,267 846,268 3.937,270 73.057,271 300.878,274 138.383,277 1.871,278 36.107,280 0.75,281 0.67,282 1,283 0.6,284 0.5,285 1,286 1,287 0.79,288 68.667,289 394,290 4.688,291 3.639,292 6.908,293 4.231,294 3.258,295 4.644,296 1.437,297 11.614,298 3.17,299 4.207,300 3.576,301 6.091,302 3.867,303 2.876,304 3.785,305 1.081,306 8.794,307 2.847,308 4.056,309 3.19,310 5.892,311 3.662,312 2.687,313 3.655,314 0.522,315 8.104,316 2.62,317 3.925,318 3.02,319 5.773,320 3.6,321 2.621,322 3.296,323 0.473,324 7.829,325 2.549,326 3.773,327 2.971,328 5.538,329 3.392,330 2.405,331 3.147,333 7.364,334 2.379,335 3.653,336 2.805,337 5.234,338 3.166,339 2.265,340 3.06,342 6.505,343 1.979,344 3.316,345 2.451,346 4.852,347 2.874,348 1.974,349 2.577,351 5.473,352 1.694,353 3.083,354 2.08,355 4.656,356 2.639,357 1.668,358 2.28,360 4.822,361 1.602,362 2.932,363 1.829,364 4.475,365 2.499,366 1.556,367 2.028,369 4.279,370 1.423,371 2.779,372 1.745,373 4.06,374 2.274,375 1.277,376 1.813,378 3.228,379 1.243,380 2.655,381 1.405,382 3.69,383 2.161,384 1.179,385 1.727,387 2.592,388 1.137,389 2.5,390 1.257,391 3.482,392 2,393 1,394 1.5,395 2.483,396 1,397 2.373,398 1,399 3.437,400 1.976,401 0.977,402 1.298,403 2.275,404 0.967,405 2.167,406 0.824,407 3.414,408 1.682,409 0.69,410 0.982,411 1.763,412 0.678,413 1.281,414 0.471,415 2.943,416 0.935,417 -0.009,418 -0.011,419 -0.025,420 -0.008,421 15.729,422 0.492,423 0.945,424 0.03,425 43,426 1.344,427 23,428 0.719,429 20,430 0.625,431 27.289,432 0.853,433 32.871,434 0.632,435 35.262,436 1.102,437 8.651,438 0.27,439 6.662,440 0.208,441 0.186,443 0.375,447 0.686,448 1.084,449 0.559,450 0.8,451 0.649,452 0.783,453 0.544,454 1.076,455 0.628,456 0.838,457 0.421,458 0.86,459 0.862,460 1.211,461 0.978,462 1.103,463 0.759,464 1.089,465 0.978,466 1.088,467 0.799,468 0.946,469 0.998,470 0.991,471 1.006,472 1.046,473 0.966,474 1.052,475 1.097,476 1.016,477 0.971,478 0.865,479 0.834,480 0.819,481 1.03,482 0.889,483 0.934,484 1.029,485 1.081,486 1.033,487 0.893,488 1.051,489 1.256,490 1.017,491 1.194,492 1.02,493 1.225,494 1.092,495 7.5,496 0.195,497 3.778,498 2.597,499 1.919,500 1.372,501 0.795,502 0.64,503 0.452,504 0.274,505 13912,506 46976,507 2.045,508 38.5,510 14,511 1,513 2,515 3,517 1.747,518 1.882,519 3.56,520 0.177,525 85.133,526 1.637,527 3.651,528 4.632,529 5.325,530 5.417,531 5.417,532 3.03,533 4.625,534 4.968,535 3.754,536 1862.16,537 8.705,538 27108,542 296.423,543 1.505,544 4.914,545 0.214,546 0.007,547 0.076,548 0.051,549 0.039,550 0.03,551 0.018,552 0.014,553 0.011,554 0.008,555 0.468,556 0.17,557 0.75,558 0.765,559 167.962,560 -0.067,561 -0.016,562 -0.001,563 0.044,564 -0.089,565 0.042,566 0.121,567 -0.002,568 0.034,569 0.035,570 0.168,571 0.009,572 -0.09,573 -0.187,574 -0.123,575 -0.171,576 -0.043,577 -0.152,578 -0.052,579 -0.048,580 0.006,581 -0.013,582 -0.055,583 -0.037,584 0.019,585 -0.04,586 -0.008,587 -0.082,588 -0.032,589 -0.037,590 -0.119,591 0.14,592 0.007,593 0.143,594 -0.114,595 0.103,596 -0.034,597 -0.043,598 -0.091,599 -0.062,600 -0.027,601 -0.092,602 -0.207,603 -0.048,604 -0.13,605 -0.022,606 -0.183,607 -0.105,608 2.657,609 6.228,610 0.656,611 34.68,612 1.013,613 1.109,614 4.849,615 23.512,616 0.725,617 3.584,618 3.932,619 4.19,620 4.466,621 4.682,622 4.787,623 4.913,624 4.963,625 5.075,626 5.142,627 7.25,628 0.694,629 467.37,630 3.584,631 5.142,632 5.994,633 6.882,634 7.754,635 8.647,636 9.528,637 10.425,638 11.312,639 12.211,640 3.8,644 1,645 1,650 2,651 12,656 6,657 1,658 22,661 1,663 1,669 2,670 52,671 24,672 3,673 35,675 55,676 25,677 20,678 8,679 10,680 2,681 4,682 5,683 2,685 1,691 1,693 22,694 3,696 2,698 2,701 2,707 20,708 4,709 2,710 7,711 2,714 2,717 0.75,718 3,727 1,730 1,731 3,734 1,746 1,748 3,752 1,753 2,756 32,759 1,760 1,761 1,764 1,772 2,773 5.8,775 1,776 2,779 17,780 9.602,781 6.917,782 2.998,785 4.139,786 1.522,787 0.984,788 6.56,789 12.066,790 3.892,791 4.535,792 5.135,793 5.749,794 6.282,795 6.578,796 6.964,797 7.284,798 7.592,799 7.939,800 1,801 51,802 11.828,803 5.134,804 7.944,805 22.111,806 18.265,807 2.444,808 78.222,812 211.88,813 154.292,814 19.91,815 78.297,816 92.973,819 154.292,820 383.15,821 19.91,822 8.825,823 20.116,824 113.286,825 98.588,826 24.216,827 13.915,828 200.109,829 78.297,830 211.88,831 174.202,832 92.973,833 78.297,835 176.567,836 128.287,839 30.841,840 143.361,841 78.297,843 211.88,844 112.883,845 232.589,848 211.88,849 32.181,850 124.01,851 18.011,852 171.27,853 211.88,854 112.883,855 232.589,857 0.591,858 0.34,859 0.181,860 0.099,861 24,862 12,863 0.109,864 6,865 1,866 1.095,867 4.222,868 295.041,869 0.095,870 21,871 156,874 22.403,875 9.37,876 5.013,877 1.642,878 110.984,879 21.373,884 3.611,885 1.999,886 60.694,887 557.352,888 48,890 24.294,893 -1.256,895 52.669,896 57.665,897 0.287,898 0.64,899 0.813,900 0.934,901 0.95,902 0.95,903 5.133,904 1.668,905 5.999,906 5.473,907 4.615,908 5.223,909 2.135,910 6.821,911 4.541,912 6.367,913 1.556,914 7.569,915 4.822,916 4.29,917 5.112,919 7.74,920 4.147,921 7.687,922 1.277,923 9.235,924 4.279,925 6.225,926 7.471,927 2.526,928 10.842,929 6.102,930 9.042,931 1.179,932 10.957,933 3.228,934 6.673,935 8.164,937 12.602,938 6.506,939 10.425,940 1,941 12.716,942 2.592,943 8.114,944 10.025,945 3.084,946 15.245,947 7.953,948 11.831,949 0.977,950 14.501,951 2.483,952 8.921,953 11.121,955 17.388,956 8.727,957 13.255,958 0.69,959 16.307,960 2.275,961 10.169,962 12.775,963 3.715,964 19.884,965 9.969,966 3.258,967 -0.009,968 18.13,969 1.763,970 11.151,971 14.082,973 22.201,974 10.922,975 2.876,976 11.614,977 19.967,978 -0.025,979 12.326,980 15.651,981 4.386,982 24.655,983 12.082,984 2.687,985 8.794,986 21.816,987 4.644,988 13.395,989 17.069,991 27.048,992 13.123,993 2.621,994 8.104,995 23.676,996 3.785,997 14.547,998 18.606,999 5.08,1000 29.494,1001 14.255,1002 2.405,1003 7.829,1004 25.545,1005 3.655,1006 15.66,1007 20.08,1009 31.92,1010 15.339,1011 2.265,1012 7.364,1013 27.422,1014 3.296,1015 16.81,1016 21.608,1017 5.787,1018 34.366,1019 16.465,1020 1.974,1021 6.505,1022 29.306,1023 3.147,1024 17.947,1025 23.11,1027 36.806,1028 17.573,1029 13383,1030 24708,1031 22.887,1032 37.705,1033 53.815,1034 54.925,1035 55.173,1036 53.247,1037 52.864,1038 71.584,1039 7.024,1040 154.251,1041 50.576,1042 5.569,1043 5.639,1044 6.464,1045 5.26,1046 5.258,1047 7.644,1048 2.873,1049 18.881,1050 5.17,1051 18.513,1052 1.538,1053 1.569,1054 1.576,1055 1.521,1056 1.51,1057 2.045,1058 0.201,1059 4.407,1060 1.445,1061 4.158,1062 4.187,1063 4.172,1064 4.074,1065 7.475,1066 4.082,1067 3.951,1068 3.976,1069 3.984,1070 3.885,1071 7.429,1072 3.883,1073 3.886,1074 3.908,1075 3.895,1076 3.843,1077 6.351,1078 3.833,1079 3.582,1080 3.625,1081 3.68,1082 3.403,1083 5.007,1084 3.418,1085 3.442,1086 3.482,1087 3.506,1088 3.318,1089 4.924,1090 3.316,1091 3.254,1092 3.262,1093 3.334,1094 3.075,1095 4.7,1096 3.091,1097 3.137,1098 3.169,1099 3.256,1100 2.943,1101 4.629,1102 2.942,1103 3.045,1104 3.095,1105 3.002,1106 2.865,1107 4.317,1108 2.881,1109 0.134,1110 0.104,1111 0.197,1112 0.121,1113 0.093,1114 4.688,1115 0.133,1116 3.639,1117 0.041,1118 6.908,1119 0.332,1120 4.231,1121 0.091,1122 3.258,1123 4.644,1124 1.437,1125 11.614,1126 3.17,1127 1.973,1128 1.954,1129 2.054,1130 2.07,1131 1.239,1132 2.066,1133 1.929,1134 1.907,1135 2.027,1136 2.017,1137 1.199,1138 2.024,1139 1.885,1140 1.866,1141 1.958,1142 1.947,1143 1.114,1144 1.959,1145 1.539,1146 1.491,1147 1.728,1148 1.715,1149 0.85,1150 1.718,1151 1.481,1152 1.425,1153 1.675,1154 1.694,1155 0.795,1156 1.693,1157 1.169,1158 1.132,1159 1.375,1160 1.391,1161 0.503,1162 1.367,1163 1.032,1164 1.024,1165 1.23,1166 1.341,1167 0.266,1168 1.298,1169 1.002,1170 0.964,1171 1.181,1172 1.216,1173 0.218,1174 1.235,1175 4.263,1177 5.602,1178 2.398,1179 7.124,1180 4.727,1181 8.731,1182 6.843,1183 10.386,1185 1.848,1186 12.421,1189 9.07,1190 0.554,1191 2.991,1194 -0.323,1199 36.11,1200 85.133,1201 189.84,1202 240.859,1203 276.913,1204 281.668,1205 281.668,1206 67.757,1207 7.927,1208 71.33,1209 71.33,1210 23,1211 12.736,1212 4.644,1213 3.807,1214 51.777,1215 134,1216 152,1217 0.182,1218 228.12,1219 395.13,1220 548.372,1221 32882,1222 3.8,1223 22.828,1224 0.713,1225 0.584,1226 23.828,1227 18.691,1228 15.313,1229 0.438,1230 0.307,1231 9.958,1232 14.326,1233 9.633,1234 7.959,1235 15.89,1236 10.741,1237 14.398,1238 0.288,1239 0.169,1240 15.214,1241 8.46,1242 11.591,1243 0.178,1244 0.089,1245 12.088,1246 5.771,1247 9.83,1248 0.114,1249 0.048,1250 10.386,1251 4.161,1252 7.674,1253 0.072,1254 0.026,1255 8.172,1256 2.734,1257 0.286,1258 100.941,1259 0.209,1260 29.876,1261 0.5,1262 170,1263 512.006,1264 212.15,1265 560.749,1266 736.1,1267 518,1268 200,1269 486.169,1270 230.162,1271 516.194,1272 753.33,1273 485,1274 6.959}
{0 CHEMBL1085041,1 1.676,2 12.313,3 5.556,4 30.872,5 120.942,6 8.672,7 0.629,8 4.057,9 4.152,10 3.74,11 3.671,12 5.283,13 3.658,14 4.552,15 4.682,16 4.139,17 4.068,18 5.859,19 4.039,20 4.83,21 4.996,22 4.199,23 4.207,24 6.028,25 4.15,26 4.926,27 5.118,28 4.197,29 4.185,30 6.145,31 4.128,32 4.919,33 5.117,34 4.143,35 4.128,36 6.253,37 4.068,38 4.822,39 5.027,40 4.054,41 4.115,42 5.958,43 4.045,44 4.797,45 4.968,46 4.166,47 4.139,48 6.082,49 4.081,50 4.85,51 5.042,52 4.06,53 4.081,54 6.121,55 4.008,56 0.101,57 0.743,58 7.782,59 4.583,60 14.427,61 5.178,62 0.311,63 1.217,64 14.976,65 7.614,66 41.522,67 9.038,68 0.393,69 1.569,70 24.973,71 10.638,72 56.749,73 12.501,74 0.557,75 1.667,76 29.022,77 11.502,78 68.577,79 13.765,80 0.841,81 1.694,82 32.66,83 11.566,84 114.443,85 13.833,86 0.536,87 1.512,88 26.901,89 10.745,90 92.38,91 12.862,92 0.528,93 1.53,94 25.066,95 10.518,96 72.104,97 12.081,98 0.624,99 1.595,100 28.777,101 11.137,102 94.795,103 12.432,104 38,105 50,106 0.275,107 0.612,108 0.774,109 0.881,110 0.89,111 0.89,112 3.502,113 0.888,114 -5.98,115 -5.83,116 -5.43,118 48.1,119 1,124 1,125 1,133 11,134 5,135 2,141 1,142 1,145 2,150 1,153 1,154 13,155 1,158 6,160 2,162 4,164 16,165 2,167 7,170 5,171 12,172 2,174 1,175 6,177 1,179 5,180 9,181 1,184 7,189 4,192 13,196 5,200 1,201 1,202 13,203 1,206 6,208 1,209 1,210 3,211 17,215 3,216 1,219 1,222 13,223 1,225 1,226 4,228 1,230 3,233 11,234 1,236 1940,237 21.17,238 21.17,239 21.17,240 21.17,241 21.17,242 18.285,243 22.595,244 12.267,245 21.507,246 17.26,247 17.26,248 17.26,249 17.26,250 17.26,251 12.827,252 29.579,253 5.827,254 17.856,255 4.025,256 1.973,257 0.992,258 0.337,259 0.284,260 0.284,261 4.193,262 1,265 1,266 1,267 846,268 3.937,270 73.057,271 300.878,274 138.383,277 1.871,278 43.677,280 0.75,281 0.67,282 1,283 0.6,284 0.5,285 1,286 1,287 0.79,288 69.833,289 394,290 4.688,291 3.639,292 6.908,293 4.233,294 3.258,295 4.644,296 1.437,297 11.614,298 3.178,299 4.207,300 3.576,301 6.091,302 3.867,303 2.876,304 3.785,305 1.081,306 8.794,307 2.847,308 4.056,309 3.188,310 5.892,311 3.662,312 2.687,313 3.655,314 0.522,315 8.104,316 2.62,317 3.925,318 3.019,319 5.773,320 3.601,321 2.621,322 3.296,323 0.473,324 7.829,325 2.552,326 3.773,327 2.968,328 5.538,329 3.393,330 2.405,331 3.147,333 7.364,334 2.379,335 3.653,336 2.79,337 5.234,338 3.202,339 2.265,340 3.06,342 6.505,343 2.087,344 3.316,345 2.448,346 4.852,347 2.888,348 1.974,349 2.577,351 5.473,352 1.747,353 3.083,354 2.08,355 4.656,356 2.64,357 1.668,358 2.28,360 4.822,361 1.602,362 2.932,363 1.828,364 4.475,365 2.509,366 1.556,367 2.028,369 4.279,370 1.455,371 2.779,372 1.743,373 4.06,374 2.277,375 1.277,376 1.813,378 3.228,379 1.257,380 2.655,381 1.405,382 3.69,383 2.162,384 1.179,385 1.727,387 2.592,388 1.138,389 2.5,390 1.257,391 3.482,392 2,393 1,394 1.5,395 2.483,396 1,397 2.373,398 1,399 3.437,400 1.976,401 0.977,402 1.298,403 2.275,404 0.967,405 2.167,406 0.823,407 3.414,408 1.684,409 0.69,410 0.982,411 1.763,412 0.682,413 1.281,414 0.471,415 2.943,416 0.948,417 -0.009,418 -0.011,419 -0.025,420 -0.008,421 15.3,422 0.478,423 0.945,424 0.03,425 43,426 1.344,427 23,428 0.719,429 20,430 0.625,431 26.292,432 0.822,433 33.3,434 0.64,435 36.26,436 1.133,437 8.782,438 0.274,439 6.531,440 0.204,441 0.163,443 0.386,445 1,447 0.649,448 0.988,449 0.602,450 0.857,451 0.61,452 0.812,453 0.552,454 1.016,455 0.668,456 0.904,457 0.454,458 0.893,459 0.878,460 1.13,461 0.985,462 1.101,463 0.81,464 1.088,465 0.908,466 1.031,467 0.877,468 1.016,469 0.897,470 1.027,471 0.946,472 0.943,473 0.997,474 1.018,475 1.009,476 1.018,477 0.967,478 0.867,479 0.806,480 0.81,481 1.02,482 0.883,483 1.036,484 1.11,485 0.982,486 1.013,487 1.043,488 1.034,489 1.325,490 1.16,491 1.099,492 1.02,493 1.316,494 1.081,495 7.5,496 0.195,497 3.778,498 2.597,499 1.919,500 1.372,501 0.795,502 0.64,503 0.452,504 0.274,505 13912,506 46976,507 2.045,508 38.5,510 14,511 1,513 2,515 3,517 1.747,518 1.882,519 3.56,520 0.177,525 87.133,526 1.676,527 3.728,528 4.709,529 5.364,530 5.417,531 5.417,532 3.03,533 4.625,534 4.968,535 3.754,536 1862.16,537 8.705,538 27108,542 296.423,543 1.505,544 4.914,545 0.214,546 0.007,547 0.076,548 0.051,549 0.039,550 0.03,551 0.018,552 0.014,553 0.011,554 0.008,555 0.468,556 0.17,557 0.88,558 0.765,559 167.962,560 -0.058,561 -0.019,562 0.003,563 0.044,564 -0.074,565 0.044,566 0.094,567 -0.037,568 0.033,569 0.008,570 0.133,571 -0.001,572 -0.092,573 -0.137,574 -0.12,575 -0.151,576 -0.059,577 -0.143,578 -0.046,579 -0.106,580 -0.02,581 -0.079,582 -0.044,583 -0.065,584 0.07,585 0.049,586 -0.047,587 -0.055,588 0.034,589 -0.042,590 -0.114,591 0.097,592 0.027,593 0.149,594 -0.117,595 0.111,596 -0.06,597 -0.037,598 -0.066,599 -0.039,600 -0.064,601 -0.079,602 -0.202,603 -0.078,604 -0.132,605 -0.037,606 -0.173,607 -0.107,608 2.684,609 6.265,610 0.656,611 34.68,612 1.016,613 1.117,614 4.749,615 22.55,616 0.707,617 3.584,618 3.932,619 4.19,620 4.466,621 4.682,622 4.787,623 4.913,624 4.963,625 5.075,626 5.142,627 7.25,628 0.686,629 450.92,630 3.584,631 5.142,632 5.994,633 6.882,634 7.754,635 8.647,636 9.528,637 10.425,638 11.312,639 12.211,640 3.8,644 1,645 1,650 2,651 12,656 6,657 1,658 22,661 1,663 1,669 2,670 52,671 24,672 3,673 35,675 55,676 25,677 20,678 8,679 10,680 2,681 4,682 5,683 1,685 1,691 1,693 22,694 3,696 2,698 2,701 2,705 1,707 20,708 5,709 2,710 7,711 1,714 2,717 0.75,718 3,727 1,730 1,731 3,734 1,746 1,748 3,752 1,753 1,754 1,756 32,759 1,760 1,761 1,764 1,772 2,773 5.8,775 1,776 2,779 17,780 9.602,781 6.917,782 2.998,785 4.139,786 1.522,787 0.985,788 6.311,789 12.066,790 3.892,791 4.535,792 5.135,793 5.749,794 6.282,795 6.578,796 6.964,797 7.284,798 7.592,799 7.939,800 1,801 51,802 11.889,803 5.228,804 8.066,805 21.971,806 18.156,807 2.566,808 82.111,812 211.88,813 159.913,814 19.91,815 39.149,816 92.973,817 14.96,819 159.913,820 344.002,821 34.87,822 8.825,823 20.116,824 113.286,825 98.588,826 29.836,827 28.875,828 200.109,829 39.149,830 211.88,831 179.822,832 107.933,833 39.149,835 191.527,836 128.287,839 30.841,840 148.982,841 39.149,843 226.84,844 112.883,845 199.061,848 211.88,849 37.801,850 124.01,851 18.011,852 147.082,853 211.88,854 127.843,855 199.061,857 0.591,858 0.34,859 0.181,860 0.099,861 24,862 12,863 0.109,864 6,865 1,866 1.095,867 4.222,868 295.041,869 0.095,870 21,871 156,874 22.065,875 9.152,876 4.874,877 1.243,878 125.944,879 19.905,884 2.203,885 1.891,886 60.694,887 538.784,888 48,890 24.163,893 -1.439,895 52.858,896 58.061,897 0.294,898 0.654,899 0.826,900 0.941,901 0.95,902 0.95,903 5.133,904 1.668,905 5.999,906 5.473,907 4.615,908 5.223,909 2.135,910 6.821,911 4.553,912 6.367,913 1.556,914 7.569,915 4.822,916 4.29,917 5.112,919 7.74,920 4.175,921 7.687,922 1.277,923 9.235,924 4.279,925 6.225,926 7.471,927 2.526,928 10.842,929 6.118,930 9.042,931 1.179,932 10.957,933 3.228,934 6.673,935 8.164,937 12.602,938 6.529,939 10.425,940 1,941 12.716,942 2.592,943 8.114,944 10.025,945 3.084,946 15.245,947 7.97,948 11.831,949 0.977,950 14.501,951 2.483,952 8.921,953 11.121,955 17.388,956 8.747,957 13.255,958 0.69,959 16.307,960 2.275,961 10.169,962 12.775,963 3.715,964 19.884,965 9.987,966 3.258,967 -0.009,968 18.13,969 1.763,970 11.151,971 14.082,973 22.201,974 10.942,975 2.876,976 11.614,977 19.967,978 -0.025,979 12.326,980 15.651,981 4.386,982 24.655,983 12.102,984 2.687,985 8.794,986 21.816,987 4.644,988 13.395,989 17.069,991 27.048,992 13.145,993 2.621,994 8.104,995 23.676,996 3.785,997 14.547,998 18.606,999 5.08,1000 29.494,1001 14.278,1002 2.405,1003 7.829,1004 25.545,1005 3.655,1006 15.66,1007 20.08,1009 31.92,1010 15.365,1011 2.265,1012 7.364,1013 27.422,1014 3.296,1015 16.81,1016 21.608,1017 5.787,1018 34.366,1019 16.493,1020 1.974,1021 6.505,1022 29.306,1023 3.147,1024 17.947,1025 23.11,1027 36.806,1028 17.604,1029 13383,1030 24708,1031 22.887,1032 36.784,1033 53.815,1034 54.895,1035 55.173,1036 53.145,1037 52.864,1038 71.584,1039 7.024,1040 154.251,1041 51.023,1042 5.569,1043 5.639,1044 6.464,1045 5.262,1046 5.258,1047 7.644,1048 2.873,1049 18.881,1050 5.178,1051 18.513,1052 1.538,1053 1.568,1054 1.576,1055 1.518,1056 1.51,1057 2.045,1058 0.201,1059 4.407,1060 1.458,1061 4.159,1062 4.19,1063 4.135,1064 4.068,1065 8.201,1066 4.079,1067 3.951,1068 3.976,1069 3.973,1070 3.885,1071 7.475,1072 3.883,1073 3.887,1074 3.909,1075 3.894,1076 3.842,1077 7.429,1078 3.832,1079 3.582,1080 3.626,1081 3.526,1082 3.399,1083 6.351,1084 3.417,1085 3.45,1086 3.497,1087 3.423,1088 3.295,1089 4.955,1090 3.304,1091 3.256,1092 3.266,1093 3.29,1094 3.068,1095 4.843,1096 3.086,1097 3.137,1098 3.169,1099 3.207,1100 2.925,1101 4.699,1102 2.938,1103 3.05,1104 3.105,1105 2.987,1106 2.86,1107 4.328,1108 2.875,1109 0.134,1110 0.104,1111 0.197,1112 0.121,1113 0.093,1114 4.688,1115 0.133,1116 3.639,1117 0.041,1118 6.908,1119 0.332,1120 4.233,1121 0.091,1122 3.258,1123 4.644,1124 1.437,1125 11.614,1126 3.178,1127 1.972,1128 1.951,1129 2.056,1130 2.076,1131 1.236,1132 2.068,1133 1.929,1134 1.906,1135 2.029,1136 2.017,1137 1.199,1138 2.024,1139 1.884,1140 1.865,1141 1.965,1142 1.954,1143 1.108,1144 1.963,1145 1.539,1146 1.491,1147 1.728,1148 1.72,1149 0.85,1150 1.719,1151 1.481,1152 1.425,1153 1.675,1154 1.694,1155 0.795,1156 1.693,1157 1.168,1158 1.131,1159 1.377,1160 1.391,1161 0.501,1162 1.368,1163 1.03,1164 1.018,1165 1.234,1166 1.341,1167 0.264,1168 1.298,1169 0.999,1170 0.954,1171 1.181,1172 1.247,1173 0.218,1174 1.246,1175 4.263,1177 5.602,1178 2.398,1179 7.124,1180 4.727,1181 8.731,1182 6.843,1183 10.386,1185 1.787,1186 6.093,1187 14.265,1189 9.047,1190 0.474,1191 2.883,1194 -0.403,1199 35.666,1200 87.133,1201 193.84,1202 244.859,1203 278.913,1204 281.668,1205 281.668,1206 76.65,1207 7.927,1208 71.33,1209 71.33,1210 23,1211 12.736,1212 4.644,1213 3.807,1214 51.777,1215 134,1216 152,1217 0.182,1218 220.985,1219 385.99,1220 530.963,1221 32882,1222 3.8,1223 22.828,1224 0.713,1225 0.56,1226 22.457,1227 17.935,1228 15.313,1229 0.438,1230 0.296,1231 9.902,1232 14.517,1233 9.633,1234 7.959,1235 15.207,1236 10.364,1237 14.398,1238 0.288,1239 0.16,1240 14.161,1241 8.023,1242 11.591,1243 0.178,1244 0.085,1245 11.585,1246 5.552,1247 9.83,1248 0.114,1249 0.046,1250 9.786,1251 3.935,1252 7.674,1253 0.072,1254 0.024,1255 7.459,1256 2.545,1257 0.286,1258 98.632,1259 0.209,1260 29.876,1261 0.5,1262 170,1263 571.913,1264 200.461,1265 560.749,1266 736.1,1267 518,1268 200,1269 502.64,1270 223.313,1271 516.194,1272 753.33,1273 485,1274 6.298}
{0 CHEMBL1085081,1 1.564,2 12.323,3 5.351,4 28.631,5 120.725,6 8.326,7 0.647,8 4.048,9 4.146,10 3.703,11 3.673,12 5.231,13 3.649,14 4.541,15 4.676,16 4.09,17 4.07,18 5.781,19 4.025,20 4.814,21 4.986,22 4.149,23 4.209,24 5.938,25 4.135,26 4.915,27 5.112,28 4.127,29 4.188,30 6.073,31 4.109,32 4.897,33 5.105,34 4.023,35 4.131,36 6.04,37 4.045,38 4.805,39 5.017,40 3.996,41 4.118,42 5.874,43 4.028,44 4.772,45 4.952,46 4.087,47 4.143,48 5.948,49 4.056,50 4.822,51 5.026,52 3.944,53 4.086,54 5.946,55 3.974,56 0.053,57 0.671,58 8.588,59 4.548,60 11.433,61 5.463,62 0.242,63 1.105,64 16.078,65 7.559,66 39.554,67 9.489,68 0.213,69 1.412,70 25.65,71 10.55,72 40.166,73 13.254,74 0.412,75 1.561,76 29.723,77 11.449,78 59.546,79 14.271,80 0.455,81 1.491,82 32.577,83 11.51,84 73.246,85 14.288,86 0.349,87 1.38,88 26.989,89 10.67,90 65.188,91 13.534,92 0.33,93 1.313,94 25.403,95 10.393,96 49.95,97 13.08,98 0.39,99 1.358,100 28.819,101 11.005,102 69.683,103 13.528,104 27,105 48,106 0.257,107 0.581,108 0.743,109 0.866,110 0.89,111 0.89,112 3.472,113 0.906,114 -5.61,115 -5.48,116 -5.11,118 48.1,119 1,124 1,125 1,133 12,134 5,135 1,141 1,142 1,145 2,150 1,153 1,154 15,155 1,158 6,160 2,162 4,164 18,165 2,167 7,170 5,171 13,172 2,174 1,175 8,177 1,179 6,180 9,181 1,184 7,189 4,192 13,196 5,200 1,201 1,202 16,203 1,206 6,208 1,209 1,210 3,211 21,215 3,216 1,219 1,222 16,223 1,225 1,226 4,228 1,230 3,233 14,234 1,236 1749,237 20.723,238 20.723,239 20.723,240 20.723,241 20.723,242 17.862,243 20.968,244 12.078,245 20.996,246 16.76,247 16.76,248 16.76,249 16.76,250 16.76,251 12.408,252 28.917,253 5.703,254 17.239,255 4.136,256 2.166,257 1.179,258 0.428,259 0.284,260 0.284,261 4.165,262 1,265 1,266 1,267 823,268 3.873,270 70.2,271 290.974,274 133.707,277 1.923,278 31.633,280 0.75,281 1,282 1,283 0.6,284 0.5,285 1,286 1,287 0.84,288 66.333,289 382,290 4.668,291 3.63,292 6.895,293 4.213,294 3.237,295 4.618,296 1.437,297 11.555,298 3.162,299 4.207,300 3.576,301 6.091,302 3.867,303 2.876,304 3.785,305 1.081,306 8.792,307 2.847,308 4.051,309 3.162,310 5.89,311 3.66,312 2.682,313 3.652,314 0.522,315 8.092,316 2.62,317 3.925,318 3.014,319 5.764,320 3.595,321 2.617,322 3.281,323 0.473,324 7.792,325 2.547,326 3.762,327 2.942,328 5.53,329 3.392,330 2.396,331 3.116,333 7.339,334 2.379,335 3.45,336 2.513,337 5.095,338 3.012,339 2.084,340 2.797,342 6,343 1.899,344 3.184,345 2.08,346 4.692,347 2.705,348 1.768,349 2.451,351 5.001,352 1.604,353 3.032,354 1.919,355 4.49,356 2.624,357 1.639,358 2.166,360 4.395,361 1.597,362 2.837,363 1.818,364 4.067,365 2.35,366 1.337,367 1.873,369 3.232,370 1.34,371 2.681,372 1.405,373 3.809,374 2.191,375 1.21,376 1.758,378 2.871,379 1.163,380 2.614,381 1.3,382 3.618,383 2.117,384 1.133,385 1.663,387 2.582,388 1.109,389 2.5,390 1.167,391 3.481,392 2,393 1,394 1.5,395 2.463,396 1,397 2.37,398 1,399 3.414,400 1.976,401 0.977,402 1.292,403 2.275,404 0.967,405 2.135,406 0.795,407 3.288,408 1.66,409 0.665,410 0.942,411 1.633,412 0.659,413 1.216,414 0.471,415 2.862,416 0.882,417 -0.093,418 -0.117,419 -0.26,420 -0.09,421 15.014,422 0.484,423 0.839,424 0.027,425 42.25,426 1.363,427 23,428 0.742,429 19.25,430 0.621,431 24.718,432 0.797,433 31.786,434 0.611,435 34.154,436 1.102,437 8.578,438 0.277,439 6.341,440 0.205,441 0.147,443 0.36,447 0.707,448 1.085,449 0.629,450 0.857,451 0.654,452 0.82,453 0.536,454 1.081,455 0.699,456 0.902,457 0.424,458 0.905,459 0.823,460 1.207,461 0.964,462 1.104,463 0.725,464 1.076,465 1.019,466 1.093,467 0.914,468 1.015,469 1.007,470 1.037,471 1.143,472 1.029,473 1.04,474 1.02,475 1.175,476 1.019,477 0.945,478 0.866,479 0.78,480 0.811,481 1.006,482 0.877,483 0.823,484 1.034,485 0.936,486 1.011,487 0.834,488 1.033,489 1.167,490 1.028,491 1.065,492 1.015,493 1.19,494 1.092,495 6.5,496 0.17,497 3.778,498 2.41,499 1.488,500 1.237,501 0.715,502 0.515,503 0.362,504 0.214,505 13097,506 40723,507 2.065,508 40.4,510 15,511 1,513 2,515 3,517 1.738,518 1.918,519 3.571,520 0.161,525 81.333,526 1.564,527 3.534,528 4.522,529 5.272,530 5.417,531 5.417,532 3.054,533 4.478,534 4.922,535 3.759,536 1747.76,537 8.606,538 24999.2,542 296.423,543 1.462,544 4.877,545 0.191,546 0.007,547 0.079,548 0.049,549 0.032,550 0.029,551 0.017,552 0.012,553 0.01,554 0.007,555 0.434,556 0.17,557 0.88,558 0.744,559 161.559,560 -0.064,561 -0.017,562 0.007,563 0.044,564 -0.088,565 0.044,566 0.144,567 -0.008,568 0.023,569 0.01,570 0.164,571 -0.01,572 -0.06,573 -0.183,574 -0.09,575 -0.154,576 -0.018,577 -0.128,578 -0.05,579 -0.06,580 -0.053,581 -0.075,582 -0.048,583 -0.085,584 -0.113,585 -0.024,586 -0.095,587 -0.057,588 -0.107,589 -0.045,590 -0.098,591 0.137,592 0.046,593 0.151,594 -0.091,595 0.111,596 0.027,597 -0.042,598 -0.023,599 -0.041,600 0.01,601 -0.065,602 -0.166,603 -0.054,604 -0.111,605 -0.036,606 -0.166,607 -0.106,608 2.643,609 6.135,610 0.677,611 32.901,612 1.007,613 1.11,614 4.38,615 19.181,616 0.709,617 3.555,618 3.892,619 4.159,620 4.419,621 4.615,622 4.7,623 4.828,624 4.883,625 4.984,626 5.05,627 7.242,628 0.679,629 432.93,630 3.555,631 5.106,632 5.958,633 6.841,634 7.71,635 8.597,636 9.475,637 10.365,638 11.248,639 12.141,640 3.8,644 1,645 1,650 2,651 13,656 5,657 1,658 22,661 1,663 1,669 1,670 52,671 24,672 3,673 34,675 55,676 25,677 20,678 7,679 11,680 2,681 4,682 5,683 1,685 1,691 1,693 22,694 3,696 2,698 2,701 2,707 21,708 4,709 2,710 6,711 1,714 2,717 0.75,718 3,727 1,730 1,731 3,734 1,746 1,748 3,752 1,753 1,756 31,759 1,760 1,761 1,764 1,772 1,773 5.8,775 1,776 2,779 16.167,780 9.543,781 6.75,782 3.018,785 4.173,786 1.53,787 0.985,788 6.121,789 12.044,790 3.871,791 4.503,792 5.108,793 5.709,794 6.22,795 6.487,796 6.882,797 7.212,798 7.5,799 7.855,800 1,801 49,802 11.46,803 4.949,804 7.901,805 21.55,806 17.787,807 2.401,808 74.444,812 223.651,813 160.268,814 19.91,815 39.149,816 92.973,819 160.268,820 355.773,821 19.91,822 8.825,823 20.116,824 122.762,825 98.588,826 20.715,827 13.915,828 211.88,829 39.149,830 223.651,831 180.178,832 92.973,833 39.149,835 188.338,836 128.287,839 30.841,840 149.337,841 39.149,843 223.651,844 112.883,845 199.416,848 223.651,849 28.68,850 133.487,851 18.011,852 132.122,853 223.651,854 112.883,855 199.416,857 0.587,858 0.342,859 0.181,860 0.095,861 23,862 11,863 0.109,864 6,865 1,866 1.095,867 4.189,868 280.324,869 0.095,870 21,871 149.58,874 21.165,875 8.965,876 4.657,877 1.835,878 110.984,879 23.802,884 3.353,885 2.044,886 60.694,887 535.95,888 47,890 24.181,893 -1.165,895 52.345,896 57.721,897 0.274,898 0.62,899 0.793,900 0.925,901 0.95,902 0.95,903 5.103,904 1.639,905 5.953,906 5.001,907 4.575,908 5.19,909 2.135,910 6.77,911 4.524,912 6.328,913 1.337,914 7.519,915 4.395,916 4.205,917 5.027,919 7.692,920 4.108,921 7.643,922 1.21,923 9.184,924 3.232,925 6.176,926 7.429,927 2.526,928 10.793,929 6.084,930 8.993,931 1.133,932 10.907,933 2.871,934 6.608,935 8.1,937 12.57,938 6.483,939 10.375,940 1,941 12.669,942 2.582,943 8.065,944 9.981,945 3.084,946 15.203,947 7.937,948 11.779,949 0.977,950 14.458,951 2.463,952 8.866,953 11.065,955 17.353,956 8.709,957 13.203,958 0.665,959 16.268,960 2.275,961 10.119,962 12.728,963 3.715,964 19.841,965 9.953,966 3.237,967 -0.093,968 18.094,969 1.633,970 11.097,971 14.027,973 22.158,974 10.904,975 2.876,976 11.555,977 19.934,978 -0.26,979 12.272,980 15.598,981 4.386,982 24.605,983 12.063,984 2.682,985 8.792,986 21.785,987 4.618,988 13.335,989 17.008,991 26.995,992 13.101,993 2.617,994 8.092,995 23.646,996 3.785,997 14.484,998 18.543,999 5.08,1000 29.434,1001 14.232,1002 2.396,1003 7.792,1004 25.516,1005 3.652,1006 15.591,1007 20.01,1009 31.855,1010 15.313,1011 2.084,1012 7.339,1013 27.394,1014 3.281,1015 16.736,1016 21.534,1017 5.787,1018 34.295,1019 16.436,1020 1.768,1021 6,1022 29.278,1023 3.116,1024 17.866,1025 23.03,1027 36.73,1028 17.542,1029 12547,1030 22237,1031 22.482,1032 36.847,1033 52.124,1034 52.996,1035 53.268,1036 51.463,1037 51.243,1038 69.787,1039 7.024,1040 148.043,1041 49.785,1042 5.547,1043 5.63,1044 6.452,1045 5.242,1046 5.237,1047 7.618,1048 2.873,1049 18.795,1050 5.162,1051 16.641,1052 1.533,1053 1.559,1054 1.567,1055 1.514,1056 1.507,1057 2.053,1058 0.207,1059 4.354,1060 1.464,1061 4.156,1062 4.188,1063 4.127,1064 4.068,1065 7.475,1066 4.077,1067 3.951,1068 3.976,1069 3.971,1070 3.885,1071 7.429,1072 3.883,1073 3.886,1074 3.908,1075 3.894,1076 3.842,1077 6.351,1078 3.832,1079 3.581,1080 3.625,1081 3.521,1082 3.399,1083 4.964,1084 3.416,1085 3.433,1086 3.484,1087 3.398,1088 3.296,1089 4.879,1090 3.297,1091 3.25,1092 3.263,1093 3.28,1094 3.068,1095 4.699,1096 3.083,1097 3.137,1098 3.169,1099 3.169,1100 2.926,1101 4.35,1102 2.935,1103 3.038,1104 3.096,1105 2.984,1106 2.86,1107 4.234,1108 2.871,1109 0.137,1110 0.107,1111 0.203,1112 0.124,1113 0.095,1114 4.668,1115 0.136,1116 3.63,1117 0.042,1118 6.895,1119 0.34,1120 4.213,1121 0.093,1122 3.237,1123 4.618,1124 1.437,1125 11.555,1126 3.162,1127 1.976,1128 1.954,1129 2.062,1130 2.075,1131 1.239,1132 2.071,1133 1.93,1134 1.907,1135 2.033,1136 2.017,1137 1.199,1138 2.025,1139 1.887,1140 1.866,1141 1.983,1142 1.954,1143 1.114,1144 1.968,1145 1.54,1146 1.491,1147 1.73,1148 1.719,1149 0.85,1150 1.721,1151 1.481,1152 1.425,1153 1.675,1154 1.694,1155 0.796,1156 1.693,1157 1.171,1158 1.132,1159 1.385,1160 1.391,1161 0.508,1162 1.368,1163 1.039,1164 1.022,1165 1.258,1166 1.341,1167 0.278,1168 1.298,1169 1.009,1170 0.962,1171 1.181,1172 1.244,1173 0.218,1174 1.263,1175 4.234,1177 5.565,1178 2.398,1179 7.083,1180 4.727,1181 8.686,1182 6.843,1183 10.334,1185 1.874,1186 6.122,1189 9.056,1190 0.598,1191 3.022,1194 -0.276,1199 35.283,1200 81.333,1201 183.788,1202 235.139,1203 274.158,1204 281.668,1205 281.668,1206 60.996,1207 7.871,1208 71.33,1209 71.33,1210 23,1211 12.67,1212 4.644,1213 3.807,1214 49.421,1215 131,1216 143,1217 0.179,1218 219.787,1219 379.92,1220 528.04,1221 31366,1222 1.9,1223 21.957,1224 0.708,1225 0.569,1226 22.457,1227 17.635,1228 14.919,1229 0.439,1230 0.302,1231 9.828,1232 14.241,1233 9.54,1234 7.908,1235 15.207,1236 10.264,1237 13.752,1238 0.287,1239 0.164,1240 14.161,1241 7.876,1242 11.323,1243 0.18,1244 0.088,1245 11.585,1246 5.515,1247 9.517,1248 0.116,1249 0.047,1250 9.786,1251 3.893,1252 7.293,1253 0.073,1254 0.025,1255 7.459,1256 2.517,1257 0.283,1258 95.403,1259 0.211,1260 29.199,1261 0.488,1262 164,1263 477.802,1264 190.63,1265 498.527,1266 664.71,1267 462,1268 193,1269 459.307,1270 213.403,1271 479.408,1272 699.46,1273 451,1274 5.602}
{0 CHEMBL1086490,1 1.766,2 13.611,3 6.262,4 39.206,5 129.381,6 9.16,7 0.55,8 4.154,9 4.243,10 3.876,11 3.76,12 5.382,13 3.763,14 4.679,15 4.801,16 4.333,17 4.15,18 6.326,19 4.142,20 4.907,21 5.063,22 4.355,23 4.301,24 6.17,25 4.265,26 5.059,27 5.244,28 4.387,29 4.305,30 6.37,31 4.27,32 5.032,33 5.233,34 4.319,35 4.243,36 6.31,37 4.192,38 4.884,39 5.075,40 4.174,41 4.217,42 5.991,43 4.149,44 4.923,45 5.095,46 4.349,47 4.27,48 6.194,49 4.22,50 4.956,51 5.123,52 4.241,53 4.24,54 6.23,55 4.164,56 0.213,57 0.959,58 7.124,59 5.122,60 39.946,61 5.273,62 0.975,63 1.942,64 15.448,65 8.674,66 167.778,67 9.266,68 0.605,69 1.845,70 23.675,71 11.436,72 76.714,73 12.89,74 1.031,75 2.124,76 30.485,77 13.188,78 141.927,79 14.356,80 1.163,81 1.875,82 35.946,83 13.089,84 173.834,85 14.74,86 0.734,87 1.6,88 28.291,89 11.583,90 124.198,91 13.768,92 0.993,93 1.82,94 28.619,95 11.743,96 126.523,97 13.148,98 0.892,99 1.73,100 31.016,101 12.504,102 132.457,103 13.442,104 54,105 61,106 0.285,107 0.615,108 0.73,109 0.816,110 0.844,111 0.844,112 3.616,113 0.866,114 -6.18,115 -6.02,116 -5.6,118 48.2,120 2,124 1,126 1,127 1,133 11,134 6,135 1,141 1,142 1,145 2,150 1,153 1,154 16,155 1,158 6,160 2,162 5,164 19,165 2,167 7,170 5,171 15,172 2,174 1,175 8,177 1,179 5,180 12,181 1,184 8,189 5,192 15,196 6,200 1,201 1,202 17,203 2,206 7,208 1,209 1,210 4,211 22,215 4,216 1,219 2,222 16,223 1,225 1,226 3,228 1,230 2,233 17,234 1,236 2676,237 23.513,238 23.513,239 23.513,240 23.513,241 23.513,242 20.732,243 26.385,244 13.156,245 24.026,246 19.69,247 19.69,248 19.69,249 19.69,250 19.69,251 15.369,252 35.473,253 6.178,254 20.645,255 4.042,256 2.002,257 1.291,258 0.755,259 0.585,260 0.585,261 4.306,262 1,267 1062,268 4.637,269 65.678,270 86.356,271 347.633,274 162.741,277 2.256,278 62.582,280 0.5,281 0.67,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.72,288 80.833,289 490,290 4.719,291 4.46,292 7.714,293 4.583,294 3.602,295 4.644,296 3.825,297 14.282,298 3.532,299 4.637,300 3.907,301 7.111,302 4.217,303 3.314,304 3.968,305 1.437,306 11.658,307 3.155,308 4.438,309 3.577,310 6.904,311 4.168,312 3.242,313 3.835,314 1.081,315 11.597,316 2.879,317 4.094,318 3.529,319 5.922,320 3.733,321 2.732,322 3.515,323 0.522,324 8.181,325 2.724,326 3.897,327 3.136,328 5.82,329 3.547,330 2.574,331 3.286,332 0.473,333 7.911,334 2.49,335 3.771,336 2.873,337 5.459,338 3.378,339 2.38,340 3.157,342 7.176,343 2.355,344 3.622,345 2.615,346 5.168,347 3.123,348 2.229,349 3.026,351 6.34,352 1.938,353 3.314,354 2.245,355 5.16,356 2.927,357 1.928,358 2.537,360 5.657,361 1.917,362 3.12,363 2.052,364 4.771,365 2.674,366 1.751,367 2.316,369 5.101,370 1.566,371 2.905,372 1.814,373 4.566,374 2.468,375 1.521,376 2.011,378 4.549,379 1.409,380 2.778,381 1.693,382 4.398,383 2.29,384 1.316,385 1.846,387 3.76,388 1.248,389 2.67,390 1.661,391 3.828,392 2.181,393 1.173,394 1.644,395 2.844,396 1.164,397 2.5,398 1,399 3.688,400 2,401 1,402 1.5,403 2.275,404 1,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,411 2.275,412 1,413 2.196,414 0.842,415 3.414,416 1.721,417 0.742,418 1.046,419 1.933,420 0.721,421 16.871,422 0.469,423 1.29,424 0.036,425 46,426 1.278,427 23,428 0.639,429 23,430 0.639,431 32.145,432 0.893,433 38.329,434 0.684,435 41.853,436 1.163,437 9.212,438 0.256,439 7.843,440 0.218,441 0.152,442 0.059,443 0.32,444 3,447 0.596,448 0.885,449 0.563,450 0.852,451 0.603,452 0.796,453 0.404,454 0.783,455 0.627,456 0.895,457 0.352,458 0.917,459 0.646,460 0.939,461 0.895,462 1.098,463 0.565,464 1.092,465 0.939,466 0.955,467 0.901,468 0.993,469 0.914,470 1.05,471 0.882,472 0.771,473 0.969,474 0.925,475 0.902,476 0.98,477 0.613,478 0.665,479 0.909,480 0.906,481 0.629,482 0.984,483 0.764,484 0.669,485 1.054,486 0.902,487 0.809,488 0.991,489 0.91,490 0.877,491 1.35,492 1.172,493 0.851,494 1.266,495 10.5,496 0.321,497 5.222,498 3.069,499 2.249,500 1.764,501 0.974,502 0.779,503 0.591,504 0.472,505 19754,506 74142,507 2.056,508 35.7,510 13,511 1,513 2,515 4,517 1.776,518 1.878,519 3.673,520 0.176,525 98.882,526 1.766,527 3.806,528 4.516,529 5.053,530 5.222,531 5.222,532 3.184,533 4.649,534 5.136,535 3.906,536 2460.74,537 9.04,538 39108.4,542 325.212,543 1.734,544 5.068,545 0.262,546 0.008,547 0.09,548 0.051,549 0.039,550 0.034,551 0.019,552 0.014,553 0.013,554 0.01,555 0.541,556 0.17,557 0.63,558 0.835,559 196.515,560 -0.048,561 -0.005,563 0.055,564 -0.08,565 0.055,566 0.352,567 0.229,568 0.066,569 0.029,570 0.377,571 -0.04,572 -0.038,573 -0.144,574 -0.076,575 -0.163,576 0.016,577 -0.131,578 -0.098,579 -0.058,580 -0.045,581 -0.052,582 -0.077,583 -0.075,584 -0.062,585 0.023,586 0.026,587 0.039,588 -0.073,589 0.045,590 -0.036,591 -0.002,592 -0.007,593 0.046,594 -0.042,595 0.052,596 0.013,597 0.193,598 -0.066,599 0.067,600 -0.064,601 -0.011,602 -0.144,603 -0.146,604 -0.262,605 -0.19,606 -0.105,607 -0.265,608 5.659,609 6.47,610 0.667,611 43.519,612 1.032,613 1.128,614 4.947,615 24.476,616 0.704,617 3.714,618 4.127,619 4.369,620 4.625,621 4.844,622 4.984,623 5.159,624 5.209,625 5.278,626 5.416,627 7.972,628 0.696,629 512.94,630 3.714,631 5.313,632 6.188,633 7.109,634 8.005,635 8.928,636 9.834,637 10.759,638 11.672,639 12.598,640 3.6,644 1,645 1,650 2,651 12,656 6,657 1,658 22,661 1,663 1,669 1,670 56,671 24,672 3,673 40,675 60,676 27,677 20,678 8,679 10,680 2,681 5,682 6,683 1,685 1,688 2,689 1,690 1,691 2,693 22,694 5,695 1,696 2,698 2,701 2,705 3,707 20,708 7,709 2,710 9,711 1,714 2,717 0.8,718 3,727 1,729 1,730 1,731 3,734 1,746 1,748 4,753 1,754 3,756 36,759 1,760 3,761 1,766 2,772 4,773 5.4,775 1,776 2,779 19.167,780 10.055,781 7.514,782 3.257,785 4.125,786 1.498,787 0.998,788 6.098,789 12.405,790 3.989,791 4.647,792 5.23,793 5.831,794 6.37,795 6.695,796 7.11,797 7.403,798 7.702,799 8.106,800 1,801 60,802 13.818,803 6.648,804 8.285,805 24.527,806 21.079,807 2.785,808 100.278,812 211.88,813 157.981,814 19.91,815 39.149,816 92.973,817 44.88,819 157.981,820 344.002,821 64.79,823 25.186,824 113.286,825 98.588,826 68.781,827 13.915,828 200.109,829 46.908,830 211.88,831 177.89,832 137.854,833 39.149,835 164.795,836 184.938,839 34.844,840 143.046,841 39.149,843 256.76,844 112.883,845 197.129,848 219.639,849 36.935,850 115.185,851 18.011,852 177.002,853 211.88,854 157.763,855 197.129,857 0.609,858 0.34,859 0.171,860 0.091,861 32,862 15,863 0.1,864 6,865 1,866 1.083,867 4.532,868 358.496,869 0.083,870 24,871 171.362,874 24.423,875 8.989,876 5.026,877 1.351,878 155.864,879 18.236,884 1.65,885 1.81,886 60.694,887 566.772,888 53,890 24.631,893 -1.361,895 57.767,896 63.155,897 0.304,898 0.655,899 0.778,900 0.87,901 0.899,902 0.899,903 5.281,904 1.928,905 6.256,906 6.34,907 4.812,908 5.335,909 3.343,910 7.177,911 4.728,912 6.553,913 1.751,914 7.9,915 5.657,916 4.796,917 5.366,918 3.903,919 8.587,920 4.61,921 7.917,922 1.521,923 9.659,924 5.101,925 6.605,926 7.604,927 5.47,928 11.619,929 6.441,930 9.315,931 1.316,932 11.488,933 4.549,934 7.347,935 8.383,936 6.69,937 13.828,938 7.098,939 10.742,940 1.173,941 13.363,942 3.76,943 8.748,944 10.176,945 8.064,946 16.524,947 8.499,948 12.19,949 1,950 15.272,951 2.844,952 9.788,953 11.309,954 9.388,955 19.006,956 9.48,957 13.654,958 1,959 17.204,960 2.275,961 11.066,962 12.925,963 10.735,964 21.633,965 10.743,966 3.602,967 0.742,968 19.154,969 2.275,970 12.227,971 14.242,972 12.074,973 24.208,974 11.863,975 3.314,976 14.282,977 21.119,978 1.933,979 13.472,980 15.787,981 13.417,982 26.828,983 13.089,984 3.242,985 11.658,986 23.095,987 4.644,988 14.681,989 17.2,990 14.758,991 29.44,992 14.27,993 2.732,994 11.597,995 25.079,996 3.968,997 15.921,998 18.72,999 16.1,1000 32.068,1001 15.492,1002 2.574,1003 8.181,1004 27.071,1005 3.835,1006 17.153,1007 20.185,1008 17.441,1009 34.697,1010 16.703,1011 2.38,1012 7.911,1013 29.068,1014 3.515,1015 18.397,1016 21.7,1017 18.783,1018 37.333,1019 17.93,1020 2.229,1021 7.176,1022 31.07,1023 3.286,1024 19.64,1025 23.193,1026 20.124,1027 39.973,1028 19.157,1029 18762,1030 36522,1031 25.948,1032 39.421,1033 62.799,1034 63.2,1035 63.671,1036 62.091,1037 61.656,1038 80.39,1039 14.674,1040 192.748,1041 58.824,1042 5.665,1043 6.46,1044 7.128,1045 5.633,1046 5.602,1047 7.644,1048 5.335,1049 21.905,1050 5.532,1051 22.044,1052 1.57,1053 1.58,1054 1.592,1055 1.552,1056 1.541,1057 2.01,1058 0.367,1059 4.819,1060 1.471,1061 4.166,1062 4.196,1063 4.172,1064 4.081,1065 8.513,1066 4.089,1067 4.025,1068 4.056,1069 3.969,1070 3.957,1071 7.999,1072 3.954,1073 3.921,1074 3.946,1075 3.893,1076 3.856,1077 7.999,1078 3.855,1079 3.74,1080 3.772,1081 3.673,1082 3.63,1083 7.475,1084 3.63,1085 3.503,1086 3.541,1087 3.664,1088 3.366,1089 7.429,1090 3.371,1091 3.339,1092 3.375,1093 3.364,1094 3.136,1095 6.351,1096 3.161,1097 3.235,1098 3.259,1099 3.302,1100 3.03,1101 4.998,1102 3.057,1103 3.216,1104 3.208,1105 3.153,1106 2.95,1107 4.724,1108 2.996,1109 0.118,1110 0.111,1111 0.193,1112 0.115,1113 0.09,1114 4.719,1115 0.116,1116 4.46,1117 0.096,1118 7.714,1119 0.357,1120 4.583,1121 0.088,1122 3.602,1123 4.644,1124 3.825,1125 14.282,1126 3.532,1127 1.973,1128 1.954,1129 2.051,1130 2.07,1131 1.24,1132 2.064,1133 1.917,1134 1.896,1135 2.011,1136 2.002,1137 1.16,1138 2.004,1139 1.896,1140 1.878,1141 1.965,1142 1.966,1143 1.125,1144 1.969,1145 1.544,1146 1.494,1147 1.688,1148 1.73,1149 0.825,1150 1.72,1151 1.345,1152 1.314,1153 1.513,1154 1.591,1155 0.824,1156 1.549,1157 1.192,1158 1.165,1159 1.469,1160 1.433,1161 0.692,1162 1.429,1163 1.153,1164 1.064,1165 1.352,1166 1.376,1167 0.512,1168 1.376,1169 1.039,1170 1.028,1171 1.181,1172 1.367,1173 0.218,1174 1.289,1175 4.394,1176 1.946,1177 5.784,1178 4.111,1179 7.358,1180 6.168,1181 9.015,1182 8.16,1183 10.718,1186 6.297,1187 38.744,1189 9.141,1190 1.689,1191 3.09,1196 -4.999,1199 38.959,1200 98.882,1201 213.119,1202 252.893,1203 282.947,1204 292.457,1205 292.457,1206 92.972,1207 8.28,1208 71.33,1209 71.33,1210 26,1211 13.105,1212 4.644,1213 3.807,1214 54.433,1215 166,1216 182,1217 0.155,1218 235.173,1219 420.37,1220 565.581,1221 49844,1222 7.1,1223 25.665,1224 0.713,1225 0.542,1226 23.665,1227 19.528,1228 17.054,1229 0.426,1230 0.289,1231 11.033,1232 16.088,1233 10.83,1234 8.831,1235 16.132,1236 11.544,1237 17.134,1238 0.281,1239 0.154,1240 15.585,1241 9.385,1242 13.261,1243 0.17,1244 0.083,1245 12.56,1246 6.46,1247 10.956,1248 0.108,1249 0.045,1250 10.544,1251 4.542,1252 8.64,1253 0.069,1254 0.024,1255 8.708,1256 3.048,1257 0.245,1258 110.439,1259 0.196,1260 32.927,1261 0.422,1262 202,1263 776.135,1264 245.98,1265 701.424,1266 910.36,1267 646,1268 243,1269 618.588,1270 274.379,1271 619.924,1272 931.95,1273 582,1274 5.889}
{0 CHEMBL1093125,1 1.829,2 14.59,3 4.416,4 19.498,5 138.041,6 9.527,7 0.535,8 4.198,9 4.267,10 4.06,11 3.826,12 5.477,13 3.824,14 4.711,15 4.804,16 4.417,17 4.22,18 6.204,19 4.218,20 5.006,21 5.136,22 4.586,23 4.353,24 6.521,25 4.345,26 5.077,27 5.23,28 4.521,29 4.306,30 6.734,31 4.296,32 5.009,33 5.174,34 4.399,35 4.232,36 6.581,37 4.214,38 4.966,39 5.136,40 4.327,41 4.185,42 6.536,43 4.161,44 4.891,45 5.052,46 4.32,47 4.17,48 6.328,49 4.15,50 4.896,51 5.051,52 4.342,53 4.175,54 6.473,55 4.139,56 0.28,57 1.002,58 8.623,59 5.621,60 55.911,61 4.928,62 0.676,63 1.63,64 13.725,65 9.176,66 102.171,67 8.651,68 1.206,69 2.283,70 26.003,71 13.159,72 223.932,73 12.035,74 1.672,75 2.314,76 31.521,77 13.597,78 313.939,79 12.841,80 1.431,81 2.038,82 29.674,83 12.875,84 254.209,85 13.135,86 1.432,87 1.783,88 27.847,89 12.15,90 257.726,91 12.731,92 1.055,93 1.688,94 26.097,95 11.494,96 187.666,97 11.599,98 1.298,99 1.673,100 26.342,101 11.629,102 221.031,103 11.511,104 65,105 64,106 0.291,107 0.6,108 0.741,109 0.872,110 0.903,111 0.914,112 3.693,113 0.909,114 -4.78,115 -4.69,116 -4.41,118 48.3,124 1,125 1,129 2,133 12,134 5,135 5,145 2,154 17,157 2,158 4,160 3,162 2,164 20,167 9,168 2,170 3,171 18,174 2,175 12,179 4,180 11,184 11,189 4,192 11,195 1,196 10,198 1,200 5,202 14,206 6,210 3,211 16,214 3,215 7,217 2,218 1,219 3,222 16,226 6,230 4,233 15,236 3144,237 25.609,238 25.609,239 25.609,240 25.609,241 25.609,242 22.13,243 21.923,244 14.572,245 25.993,246 21.161,247 21.161,248 21.161,249 21.161,250 21.161,251 15.703,252 24.89,253 6.882,254 21.883,255 4.029,256 2.079,257 1.195,258 0.371,259 0.172,260 0.103,261 4.39,266 1,267 1237,268 4.416,270 89.547,271 462.015,274 170.747,275 175.985,277 2.164,278 86.474,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 88.5,289 569,290 4.897,291 4.719,292 7.405,293 4.364,294 3.446,295 4.756,296 2.208,297 12.904,298 3.264,299 4.621,300 4.012,301 7.098,302 4.337,303 3.368,304 4.338,305 1.009,306 12.256,307 3.132,308 4.403,309 3.433,310 6.185,311 3.919,312 2.92,313 4.191,314 0.98,315 9.234,316 2.918,317 4.166,318 3.274,319 5.982,320 3.695,321 2.756,322 3.802,323 0.59,324 8.384,325 2.579,326 3.863,327 3.004,328 5.94,329 3.505,330 2.509,331 3.188,332 0.047,333 8.044,334 2.484,335 3.669,336 2.955,337 5.685,338 3.328,339 2.347,340 3.046,342 7.429,343 2.303,344 3.606,345 2.697,346 5.462,347 3.227,348 2.238,349 2.883,351 6.599,352 2.201,353 3.45,354 2.692,355 5.195,356 2.976,357 2.022,358 2.753,360 6.203,361 1.941,362 3.309,363 2.407,364 4.972,365 2.946,366 1.975,367 2.524,369 5.646,370 1.858,371 3.118,372 2.102,373 4.782,374 2.618,375 1.618,376 2.427,378 4.71,379 1.618,380 2.933,381 1.924,382 4.413,383 2.544,384 1.559,385 2.097,387 4.356,388 1.526,389 2.905,390 1.618,391 4.396,392 2.42,393 1.469,394 2.057,395 4.147,396 1.399,397 2.877,398 1.489,399 3.755,400 2.4,401 1.401,402 2.014,403 3.017,404 1.379,405 2.647,406 1.421,407 3.618,408 2.235,409 1.248,410 1.629,411 2.844,412 1.227,413 2.263,414 1.355,415 3.51,416 1.715,417 0.716,418 1.05,419 1.672,420 0.715,421 18.157,422 0.466,423 1.297,424 0.033,425 54.5,426 1.397,427 30,428 0.769,429 24.5,430 0.628,431 31.665,432 0.812,433 41.243,434 0.711,435 52.727,436 1.352,437 11.11,438 0.285,439 7.436,440 0.191,441 0.139,442 0.046,443 0.38,445 3,447 0.556,448 0.901,449 0.697,450 1.037,451 0.611,452 0.805,453 0.593,454 0.936,455 0.781,456 0.979,457 0.599,458 0.94,459 0.835,460 1.021,461 0.93,462 1.115,463 0.866,464 1.059,465 0.815,466 0.868,467 1,468 1.024,469 0.799,470 1.061,471 0.716,472 0.756,473 0.849,474 0.984,475 0.727,476 1.047,477 0.739,478 0.682,479 0.804,480 0.821,481 0.78,482 0.961,483 0.826,484 0.788,485 0.895,486 0.947,487 0.812,488 0.959,489 0.754,490 0.681,491 0.972,492 0.87,493 0.795,494 0.955,495 9.5,496 0.341,497 5.778,498 4.361,499 2.858,500 1.702,501 0.92,502 0.894,503 0.64,504 0.46,505 24938,506 91864,507 2.043,508 32.8,510 17,513 2,517 1.794,518 1.865,519 3.787,520 0.187,525 106.082,526 1.829,527 3.779,528 4.663,529 5.487,530 5.686,531 5.755,532 3.247,533 5.08,534 5.259,535 3.982,536 2950.4,537 9.274,538 50025.8,542 339.763,543 1.662,544 5.187,545 0.221,546 0.007,547 0.09,548 0.063,549 0.045,550 0.029,551 0.017,552 0.016,553 0.012,554 0.009,555 0.509,556 0.17,557 0.75,558 0.604,559 218.557,560 -0.006,561 -0.024,562 0.123,563 -0.012,564 -0.084,565 0.054,566 0.079,567 -0.052,568 -0.023,569 -0.045,570 0.057,571 -0.078,572 0.026,573 -0.072,574 0.01,575 -0.122,576 -0.006,577 -0.113,578 0.114,579 0.043,580 -0.031,581 -0.067,582 0.14,583 -0.092,584 0.119,585 0.033,586 0.07,587 -0.063,588 0.116,589 -0.035,590 0.11,591 0.076,592 0.098,593 0.08,594 0.093,595 0.059,596 -0.037,597 -0.024,598 0.06,599 0.008,600 -0.019,601 0.056,602 0.09,603 0.091,604 0.033,605 0.111,606 0.075,607 0.047,608 5.786,609 5.949,610 0.641,611 44.714,612 1.039,613 1.123,614 3.548,615 12.59,616 0.713,617 3.784,618 4.174,619 4.466,620 4.754,621 4.984,622 5.037,623 5.13,624 5.268,625 5.394,626 5.468,627 8.436,628 0.711,629 552.56,630 3.784,631 5.371,632 6.244,633 7.155,634 8.047,635 8.96,636 9.858,637 10.773,638 11.675,639 12.591,640 3.4,644 2,650 2,651 12,656 8,658 23,669 3,670 58,671 28,672 4,673 43,675 62,676 28,677 22,678 10,679 12,680 3,681 5,682 7,688 1,691 1,693 26,694 2,696 5,697 1,698 4,699 2,701 2,705 3,707 19,708 10,709 2,710 11,711 1,714 2,717 0.6,718 5,719 1,730 1,731 4,734 1,735 1,738 1,741 2,746 1,748 3,750 1,754 3,756 39,758 1,759 1,760 1,761 1,764 1,765 1,772 3,773 8.6,774 1,776 4,779 20.917,780 10.412,781 8.292,782 3.207,785 5.063,786 1.582,787 1.005,788 6.939,789 13.761,790 4.103,791 4.775,792 5.348,793 5.932,794 6.484,795 6.726,796 7.053,797 7.402,798 7.767,799 7.932,800 0.9,801 69,802 15.504,803 7.992,804 8.429,805 26.242,806 22.325,807 2.929,808 114.25,812 200.109,813 196.363,814 19.529,816 137.286,817 44.88,818 5.807,819 190.556,820 337.395,821 64.41,823 21.635,824 181.158,825 104.012,826 46.373,827 44.88,828 200.109,830 200.109,831 210.085,832 182.166,833 5.807,835 244.989,836 94.603,837 42.683,839 21.635,840 169.497,841 24.76,843 244.989,844 156.815,845 196.363,847 5.807,848 200.109,849 57.888,850 135.792,851 16.405,852 182.166,853 200.109,854 201.696,855 196.363,857 0.601,858 0.358,859 0.193,860 0.106,861 32,862 16,863 0.097,864 6,865 2,866 1.16,867 4.716,868 397.56,869 0.16,870 25,871 204.131,873 1,874 26.489,875 10.217,876 5.137,877 1.98,878 201.696,879 18.236,884 -4.241,886 59.088,887 598.168,888 59.5,889 -4.869,890 50.104,891 2.054,893 -1.775,895 60.291,896 65.135,897 0.312,898 0.645,899 0.796,900 0.937,901 0.971,902 0.982,903 5.374,904 2.022,905 6.286,906 6.599,907 4.86,908 5.464,909 2.596,910 7.179,911 4.791,912 6.638,913 1.975,914 7.907,915 6.203,916 4.691,917 5.551,918 2.04,919 8.357,920 4.543,921 7.998,922 1.618,923 9.634,924 5.646,925 6.569,926 7.791,927 3.558,928 11.458,929 6.415,930 9.396,931 1.559,932 11.425,933 4.71,934 7.186,935 8.663,936 3.783,937 13.467,938 6.935,939 10.827,940 1.469,941 13.257,942 4.356,943 8.608,944 10.446,945 4.912,946 16.163,947 8.343,948 12.283,949 1.401,950 15.12,951 4.147,952 9.567,953 11.669,954 5.452,955 18.502,956 9.208,957 13.758,958 1.248,959 17.006,960 3.017,961 10.837,962 13.286,963 6.41,964 21.081,965 10.445,966 3.446,967 0.716,968 18.91,969 2.844,970 11.943,971 14.669,972 7.081,973 23.545,974 11.468,975 3.368,976 12.904,977 20.829,978 1.672,979 13.166,980 16.224,981 7.957,982 26.093,983 12.644,984 2.92,985 12.256,986 22.76,987 4.756,988 14.335,989 17.683,990 8.689,991 28.603,992 13.738,993 2.756,994 9.234,995 24.702,996 4.338,997 15.548,998 19.216,999 9.524,1000 31.143,1001 14.895,1002 2.509,1003 8.384,1004 26.652,1005 4.191,1006 16.745,1007 20.711,1008 10.286,1009 33.672,1010 16.022,1011 2.347,1012 8.044,1013 28.608,1014 3.802,1015 17.958,1016 22.24,1017 11.1,1018 36.212,1019 17.175,1020 2.238,1021 7.429,1022 30.571,1023 3.188,1024 19.168,1025 23.754,1026 11.876,1027 38.748,1028 18.319,1029 23481,1030 45514,1031 27.857,1032 41.358,1033 66.777,1034 69.723,1035 68.698,1036 65.932,1037 65.843,1038 89.102,1039 9.669,1040 201.374,1041 63.556,1042 5.798,1043 6.719,1044 7.092,1045 5.424,1046 5.446,1047 7.756,1048 3.786,1049 20.658,1050 5.264,1051 24.07,1052 1.553,1053 1.621,1054 1.598,1055 1.533,1056 1.531,1057 2.072,1058 0.225,1059 4.683,1060 1.478,1061 4.125,1062 4.14,1063 4.739,1064 4.079,1065 8.242,1066 4.061,1067 4.068,1068 4.055,1069 4.062,1070 4.038,1071 8.199,1072 3.977,1073 4,1074 4.015,1075 3.964,1076 3.934,1077 8.161,1078 3.931,1079 3.707,1080 3.714,1081 3.79,1082 3.57,1083 7.717,1084 3.552,1085 3.571,1086 3.6,1087 3.537,1088 3.47,1089 7.43,1090 3.459,1091 3.482,1092 3.491,1093 3.425,1094 3.379,1095 7.427,1096 3.362,1097 3.361,1098 3.378,1099 3.305,1100 3.206,1101 6.999,1102 3.216,1103 3.103,1104 3.155,1105 2.989,1106 2.988,1107 6.444,1108 2.978,1109 0.114,1110 0.11,1111 0.172,1112 0.101,1113 0.08,1114 4.897,1115 0.111,1116 4.719,1117 0.051,1118 7.405,1119 0.3,1120 4.364,1121 0.076,1122 3.446,1123 4.756,1124 2.208,1125 12.904,1126 3.264,1127 2.078,1128 2.059,1129 2.164,1130 2.133,1131 1.313,1132 2.145,1133 1.943,1134 1.956,1135 2.009,1136 2.033,1137 1.171,1138 2.05,1139 1.912,1140 1.897,1141 1.894,1142 1.984,1143 1.125,1144 1.991,1145 1.584,1146 1.557,1147 1.742,1148 1.764,1149 0.916,1150 1.747,1151 1.557,1152 1.539,1153 1.653,1154 1.741,1155 0.727,1156 1.731,1157 1.394,1158 1.396,1159 1.49,1160 1.573,1161 0.587,1162 1.572,1163 1.29,1164 1.285,1165 1.352,1166 1.456,1167 0.501,1168 1.472,1169 1.117,1170 1.068,1171 1.244,1172 1.303,1173 0.441,1174 1.32,1175 4.466,1177 5.838,1178 2.398,1179 7.399,1180 4.949,1181 9.049,1182 7.209,1183 10.746,1187 40.581,1189 10.552,1190 0.12,1191 1.571,1194 -1.431,1195 1.37,1199 41.222,1200 106.082,1201 219.176,1202 270.479,1203 318.253,1204 329.763,1205 333.763,1206 129.948,1207 8.698,1208 103.78,1209 112.16,1210 29,1211 13.105,1212 4.858,1213 4.129,1214 61.508,1215 196,1216 194,1217 0.148,1218 249.701,1219 453.27,1220 601.03,1221 90691,1222 5.2,1223 27.897,1224 0.715,1225 0.532,1226 25.536,1227 20.753,1228 18.547,1229 0.431,1230 0.303,1231 11.484,1232 17.019,1233 11.196,1234 9.173,1235 18.152,1236 13.027,1237 17.919,1238 0.28,1239 0.163,1240 17.544,1241 10.444,1242 15.015,1243 0.175,1244 0.088,1245 14.829,1246 7.593,1247 12.627,1248 0.11,1249 0.047,1250 12.665,1251 5.429,1252 10.204,1253 0.07,1254 0.025,1255 10.163,1256 3.68,1257 0.236,1258 125.739,1259 0.189,1260 35.196,1261 0.399,1262 214,1263 882.264,1264 277.681,1265 790.081,1266 1028.98,1267 724,1268 257,1269 694.17,1270 332.05,1271 720.793,1272 1062.6,1273 676,1274 4.699}
{0 CHEMBL1093791,1 1.712,2 14.432,3 4.005,4 16.037,5 137.608,6 8.907,7 0.561,8 4.182,9 4.258,10 4.006,11 3.829,12 5.389,13 3.807,14 4.692,15 4.792,16 4.342,17 4.224,18 6.108,19 4.195,20 4.977,21 5.118,22 4.448,23 4.358,24 6.331,25 4.312,26 5.043,27 5.211,28 4.339,29 4.312,30 6.449,31 4.261,32 4.981,33 5.157,34 4.269,35 4.235,36 6.269,37 4.189,38 4.95,39 5.127,40 4.257,41 4.188,42 6.417,43 4.143,44 4.874,45 5.042,46 4.25,47 4.173,48 6.17,49 4.131,50 4.881,51 5.041,52 4.299,53 4.178,54 6.413,55 4.124,56 0.166,57 0.844,58 10.543,59 5.554,60 31.324,61 5.481,62 0.484,63 1.376,64 16.498,65 9.058,66 62.87,67 9.549,68 0.676,69 1.805,70 28.355,71 12.942,72 112.286,73 13.431,74 0.916,75 1.863,76 33.125,77 13.404,78 162.767,79 13.991,80 0.684,81 1.69,82 31.015,83 12.761,84 109.445,85 13.905,86 1.026,87 1.673,88 29.267,89 12.086,90 174.418,91 13.367,92 0.613,93 1.547,94 27.533,95 11.425,96 104.324,97 12.249,98 1.017,99 1.541,100 28.025,101 11.549,102 164.578,103 12.342,104 37,105 60,106 0.272,107 0.569,108 0.72,109 0.855,110 0.881,111 0.892,112 3.642,113 0.938,114 -4.32,115 -4.25,116 -4.01,118 48.3,124 1,125 1,129 2,133 14,134 5,135 3,145 2,154 19,157 2,158 4,160 3,162 2,164 22,167 11,168 2,170 4,171 19,174 2,175 14,179 5,180 11,184 12,189 4,192 12,195 1,196 11,198 1,200 5,202 16,206 6,210 3,211 18,214 3,215 7,217 2,218 1,219 3,222 18,226 7,230 4,233 18,236 2826,237 24.609,238 24.609,239 24.609,240 24.609,241 24.609,242 21.235,243 20.643,244 14.176,245 24.908,246 20.205,247 20.205,248 20.205,249 20.205,250 20.205,251 14.919,252 23.157,253 6.715,254 20.733,255 4.146,256 2.277,257 1.324,258 0.474,259 0.31,260 0.241,261 4.344,266 1,267 1169,268 4.301,270 83.731,271 433.941,274 160.015,275 164.959,277 2.12,278 63.753,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 81.5,289 534,290 4.855,291 4.689,292 7.307,293 4.338,294 3.39,295 4.704,296 2.208,297 12.497,298 3.264,299 4.621,300 4.012,301 7.098,302 4.308,303 3.367,304 4.338,305 1.009,306 12.256,307 3.091,308 4.403,309 3.423,310 6.185,311 3.919,312 2.92,313 4.191,314 0.98,315 9.234,316 2.918,317 3.879,318 3.004,319 5.94,320 3.514,321 2.516,322 3.402,323 0.59,324 8.045,325 2.502,326 3.83,327 2.955,328 5.685,329 3.378,330 2.415,331 3.186,332 0.047,333 7.429,334 2.328,335 3.664,336 2.873,337 5.249,338 3.326,339 2.346,340 3.044,342 6.478,343 2.297,344 3.589,345 2.692,346 5.193,347 3.184,348 2.183,349 2.845,351 6.204,352 2.156,353 3.313,354 2.407,355 5.012,356 2.961,357 1.979,358 2.531,360 5.905,361 1.938,362 3.118,363 1.924,364 4.82,365 2.618,366 1.618,367 2.427,369 4.787,370 1.618,371 3.062,372 1.782,373 4.539,374 2.57,375 1.596,376 2.259,378 4.433,379 1.542,380 2.93,381 1.618,382 4.412,383 2.51,384 1.523,385 2.096,387 4.352,388 1.489,389 2.877,390 1.489,391 3.755,392 2.4,393 1.401,394 2.015,395 3.017,396 1.399,397 2.647,398 1.421,399 3.617,400 2.235,401 1.247,402 1.628,403 2.843,404 1.227,405 2.5,406 1.139,407 3.414,408 2,409 1,410 1.5,411 2.275,412 1,413 2.263,414 1,415 3.351,416 1.715,417 0.716,418 1.049,419 1.669,420 0.714,421 17.586,422 0.475,423 1.119,424 0.03,425 53,426 1.432,427 30,428 0.811,429 23,430 0.622,431 28.512,432 0.771,433 38.214,434 0.659,435 48.054,436 1.299,437 10.673,438 0.288,439 7.053,440 0.191,441 0.111,442 0.047,443 0.335,445 1,447 0.562,448 0.995,449 0.738,450 1.04,451 0.634,452 0.816,453 0.568,454 0.989,455 0.83,456 0.979,457 0.583,458 0.955,459 0.881,460 1.09,461 1.013,462 1.115,463 0.885,464 1.062,465 1.017,466 0.947,467 1.114,468 1.027,469 0.939,470 1.055,471 0.95,472 0.907,473 0.895,474 0.994,475 0.94,476 1.015,477 0.905,478 0.777,479 0.825,480 0.827,481 0.959,482 0.934,483 1.017,484 0.912,485 0.919,486 0.954,487 1.007,488 0.934,489 0.807,490 0.76,491 0.948,492 0.877,493 0.866,494 0.919,495 8.5,496 0.292,497 5.111,498 3.611,499 2.316,500 1.591,501 0.798,502 0.863,503 0.615,504 0.42,505 22040,506 71594,507 2.077,508 36.2,510 19,513 2,517 1.782,518 1.922,519 3.765,520 0.162,525 99.309,526 1.712,527 3.581,528 4.534,529 5.384,530 5.548,531 5.617,532 3.247,533 4.973,534 5.18,535 3.946,536 2627.75,537 9.121,538 42921.1,542 339.763,543 1.599,544 5.125,545 0.207,546 0.007,547 0.085,548 0.057,549 0.041,550 0.03,551 0.015,552 0.017,553 0.012,554 0.009,555 0.48,556 0.17,557 0.75,558 0.566,559 204.18,560 0.011,561 -0.031,562 0.147,563 -0.013,564 -0.109,565 0.054,566 0.148,567 -0.026,568 -0.027,569 -0.043,570 0.095,571 -0.086,572 -0.011,573 -0.114,574 -0.055,575 -0.121,576 -0.021,577 -0.114,578 -0.065,579 -0.02,580 -0.144,581 -0.068,582 0.018,583 -0.092,584 -0.086,585 -0.092,586 0.014,587 -0.069,588 -0.067,589 -0.023,590 0.106,591 0.12,592 0.071,593 0.082,594 0.073,595 0.047,596 -0.109,597 -0.032,598 0.04,599 0.009,600 -0.104,601 0.048,602 0.192,603 0.134,604 0.068,605 0.113,606 0.154,607 0.051,608 5.118,609 5.956,610 0.676,611 43.166,612 1.022,613 1.111,614 3.086,615 9.525,616 0.715,617 3.738,618 4.111,619 4.394,620 4.673,621 4.913,622 4.977,623 5.081,624 5.236,625 5.366,626 5.434,627 8.193,628 0.698,629 516.58,630 3.738,631 5.313,632 6.18,633 7.083,634 7.968,635 8.875,636 9.768,637 10.677,638 11.575,639 12.487,640 3.4,644 2,650 2,651 14,656 6,658 23,669 1,670 58,671 28,672 4,673 41,675 62,676 28,677 22,678 8,679 14,680 3,681 5,682 7,688 1,691 1,693 26,694 2,696 5,697 1,698 4,699 2,701 2,705 1,707 21,708 8,709 2,710 9,711 1,714 2,717 0.6,718 5,719 1,730 1,731 4,734 1,735 1,738 1,741 2,746 1,748 3,750 1,754 1,756 37,758 1,759 1,760 1,761 1,764 1,765 1,772 1,773 8.6,774 1,776 4,779 19.25,780 10.293,781 7.903,782 3.233,785 4.959,786 1.579,787 1.005,788 6.55,789 13.526,790 4.069,791 4.723,792 5.29,793 5.861,794 6.421,795 6.668,796 7.009,797 7.371,798 7.751,799 7.908,800 0.9,801 63,802 14.196,803 6.774,804 8.173,805 25.4,806 21.577,807 2.673,808 98.917,812 223.651,813 197.074,814 19.529,816 137.286,817 14.96,818 5.807,819 191.266,820 360.937,821 34.489,823 21.635,824 200.111,825 104.012,826 28.131,827 14.96,828 223.651,830 223.651,831 210.795,832 152.246,833 5.807,835 238.611,836 94.603,837 42.683,839 21.635,840 170.208,841 24.76,843 238.611,844 156.815,845 197.074,847 5.807,848 223.651,849 39.646,850 154.744,851 16.405,852 152.246,853 223.651,854 171.776,855 197.074,857 0.596,858 0.35,859 0.187,860 0.104,861 30,862 14,863 0.097,864 6,865 2,866 1.16,867 4.649,868 367.368,869 0.16,870 25,871 186.75,873 1,874 24.696,875 9.814,876 4.991,877 2.073,878 171.776,879 22.673,884 1.289,886 59.088,887 592.5,888 57.5,889 -4.201,890 50.198,891 2.41,893 -1.416,895 59.265,896 64.455,897 0.292,898 0.611,899 0.774,900 0.919,901 0.947,902 0.959,903 5.327,904 1.979,905 6.209,906 6.204,907 4.796,908 5.412,909 2.596,910 7.084,911 4.743,912 6.579,913 1.618,914 7.816,915 5.905,916 4.575,917 5.44,918 2.04,919 8.255,920 4.449,921 7.929,922 1.596,923 9.532,924 4.787,925 6.488,926 7.722,927 3.558,928 11.341,929 6.358,930 9.319,931 1.523,932 11.316,933 4.433,934 7.074,935 8.558,936 3.783,937 13.355,938 6.853,939 10.744,940 1.401,941 13.144,942 4.352,943 8.513,944 10.364,945 4.912,946 16.032,947 8.279,948 12.195,949 1.247,950 15.004,951 3.017,952 9.456,953 11.567,954 5.452,955 18.366,956 9.133,957 13.667,958 1,959 16.888,960 2.843,961 10.732,962 13.194,963 6.41,964 20.926,965 10.379,966 3.39,967 0.716,968 18.791,969 2.275,970 11.828,971 14.565,972 7.081,973 23.375,974 11.396,975 3.367,976 12.497,977 20.708,978 1.669,979 13.052,980 16.123,981 7.957,982 25.902,983 12.576,984 2.92,985 12.256,986 22.637,987 4.704,988 14.213,989 17.572,990 8.689,991 28.393,992 13.668,993 2.516,994 9.234,995 24.575,996 4.338,997 15.422,998 19.104,999 9.524,1000 30.911,1001 14.826,1002 2.415,1003 8.045,1004 26.521,1005 4.191,1006 16.611,1007 20.591,1008 10.286,1009 33.418,1010 15.952,1011 2.346,1012 7.429,1013 28.473,1014 3.402,1015 17.819,1016 22.114,1017 11.1,1018 35.934,1019 17.106,1020 2.183,1021 6.478,1022 30.429,1023 3.186,1024 19.02,1025 23.619,1026 11.876,1027 38.447,1028 18.248,1029 20631,1030 37444,1031 27.046,1032 41.483,1033 63.267,1034 65.446,1035 64.374,1036 62.429,1037 62.261,1038 85.065,1039 9.669,1040 187.299,1041 60.766,1042 5.756,1043 6.689,1044 6.994,1045 5.388,1046 5.39,1047 7.704,1048 3.786,1049 20.013,1050 5.264,1051 20.099,1052 1.543,1053 1.596,1054 1.57,1055 1.523,1056 1.519,1057 2.075,1058 0.236,1059 4.568,1060 1.482,1061 4.122,1062 4.139,1063 4.736,1064 4.079,1065 8.201,1066 4.061,1067 4.061,1068 4.049,1069 4.062,1070 4.038,1071 7.718,1072 3.973,1073 3.999,1074 4.012,1075 3.964,1076 3.934,1077 7.43,1078 3.929,1079 3.694,1080 3.707,1081 3.726,1082 3.571,1083 7.427,1084 3.547,1085 3.569,1086 3.599,1087 3.536,1088 3.47,1089 6.999,1090 3.458,1091 3.48,1092 3.49,1093 3.424,1094 3.38,1095 6.444,1096 3.361,1097 3.36,1098 3.377,1099 3.305,1100 3.206,1101 4.902,1102 3.215,1103 3.103,1104 3.155,1105 2.988,1106 2.988,1107 4.721,1108 2.978,1109 0.118,1110 0.114,1111 0.178,1112 0.106,1113 0.083,1114 4.855,1115 0.115,1116 4.689,1117 0.054,1118 7.307,1119 0.305,1120 4.338,1121 0.08,1122 3.39,1123 4.704,1124 2.208,1125 12.497,1126 3.264,1127 2.078,1128 2.059,1129 2.164,1130 2.133,1131 1.313,1132 2.145,1133 1.954,1134 1.963,1135 2.009,1136 2.031,1137 1.172,1138 2.061,1139 1.915,1140 1.897,1141 1.963,1142 1.983,1143 1.144,1144 1.993,1145 1.584,1146 1.56,1147 1.742,1148 1.763,1149 0.916,1150 1.749,1151 1.561,1152 1.54,1153 1.654,1154 1.741,1155 0.73,1156 1.737,1157 1.397,1158 1.397,1159 1.49,1160 1.573,1161 0.596,1162 1.574,1163 1.292,1164 1.285,1165 1.352,1166 1.455,1167 0.509,1168 1.475,1169 1.117,1170 1.068,1171 1.244,1172 1.303,1173 0.449,1174 1.32,1175 4.419,1177 5.778,1178 2.398,1179 7.328,1180 4.949,1181 8.965,1182 7.209,1183 10.648,1187 13.109,1189 10.57,1190 0.198,1191 1.91,1194 -1.35,1195 1.455,1199 40.455,1200 99.309,1201 207.705,1202 262.95,1203 312.253,1204 321.763,1205 325.763,1206 101.766,1207 8.568,1208 103.78,1209 112.16,1210 29,1211 13.004,1212 4.858,1213 4.129,1214 56.766,1215 178,1216 205,1217 0.149,1218 247.304,1219 441.13,1220 595.183,1221 76727,1222 1.7,1223 26.156,1224 0.707,1225 0.545,1226 25.536,1227 20.152,1228 17.725,1229 0.432,1230 0.313,1231 11.324,1232 16.392,1233 10.994,1234 9.05,1235 18.152,1236 12.816,1237 16.866,1238 0.281,1239 0.171,1240 17.544,1241 10.233,1242 14.105,1243 0.176,1244 0.093,1245 14.829,1246 7.453,1247 11.746,1248 0.111,1249 0.05,1250 12.665,1251 5.264,1252 9.614,1253 0.071,1254 0.027,1255 10.163,1256 3.627,1257 0.237,1258 119.079,1259 0.192,1260 33.808,1261 0.403,1262 202,1263 694.041,1264 258.019,1265 665.852,1266 884.9,1267 612,1268 241,1269 605.503,1270 305.502,1271 645.311,1272 946.74,1273 606,1274 4.699}
{0 CHEMBL1093792,1 1.778,2 14.526,3 4.21,4 17.725,5 137.825,6 9.217,7 0.548,8 4.19,9 4.262,10 4.033,11 3.827,12 5.434,13 3.815,14 4.702,15 4.798,16 4.381,17 4.222,18 6.155,19 4.206,20 4.992,21 5.128,22 4.51,23 4.356,24 6.476,25 4.327,26 5.053,27 5.216,28 4.409,29 4.309,30 6.483,31 4.274,32 4.997,33 5.167,34 4.348,35 4.233,36 6.476,37 4.203,38 4.957,39 5.131,40 4.28,41 4.187,42 6.442,43 4.151,44 4.883,45 5.047,46 4.298,47 4.171,48 6.292,49 4.142,50 4.889,51 5.046,52 4.321,53 4.176,54 6.446,55 4.132,56 0.218,57 0.921,58 9.584,59 5.587,60 42.56,61 5.201,62 0.571,63 1.499,64 15.127,65 9.116,66 81.268,67 9.094,68 1,69 2.083,70 27.236,71 13.034,72 174.784,73 12.812,74 1.12,75 1.992,76 32.458,77 13.498,78 205.55,79 13.345,80 1.111,81 1.837,82 30.477,83 12.816,84 191.019,85 13.572,86 1.19,87 1.727,88 28.603,89 12.12,90 208.247,91 12.964,92 0.866,93 1.618,94 26.844,95 11.457,96 153.654,97 12.003,98 1.149,99 1.607,100 27.221,101 11.589,102 190.484,103 11.926,104 50,105 62,106 0.282,107 0.587,108 0.734,109 0.872,110 0.903,111 0.914,112 3.668,113 0.923,114 -4.68,115 -4.6,116 -4.32,118 48.3,124 1,125 1,129 2,133 13,134 5,135 4,145 2,154 18,157 2,158 4,160 3,162 2,164 21,167 11,168 2,170 4,171 18,174 2,175 12,179 4,180 11,184 12,189 4,192 12,195 1,196 10,198 1,200 5,202 15,206 6,210 3,211 17,214 3,215 7,217 2,218 1,219 3,222 17,226 7,230 4,233 17,236 2980,237 25.109,238 25.109,239 25.109,240 25.109,241 25.109,242 21.683,243 21.218,244 14.348,245 25.45,246 20.673,247 20.673,248 20.673,249 20.673,250 20.673,251 15.305,252 23.906,253 6.778,254 21.299,255 4.08,256 2.163,257 1.235,258 0.371,259 0.172,260 0.103,261 4.367,266 1,267 1204,268 4.359,270 86.854,271 448.611,274 165.8,275 170.758,277 2.158,278 74.645,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 85,289 552,290 4.861,291 4.69,292 7.311,293 4.339,294 3.398,295 4.713,296 2.208,297 12.521,298 3.264,299 4.621,300 4.012,301 7.098,302 4.317,303 3.367,304 4.338,305 1.009,306 12.256,307 3.098,308 4.403,309 3.426,310 6.185,311 3.919,312 2.92,313 4.191,314 0.98,315 9.234,316 2.918,317 4.107,318 3.249,319 5.941,320 3.644,321 2.71,322 3.718,323 0.59,324 8.07,325 2.532,326 3.863,327 3.004,328 5.898,329 3.505,330 2.509,331 3.188,332 0.047,333 8.038,334 2.476,335 3.667,336 2.955,337 5.685,338 3.328,339 2.346,340 3.045,342 7.429,343 2.303,344 3.595,345 2.692,346 5.199,347 3.21,348 2.2,349 2.851,351 6.209,352 2.197,353 3.314,354 2.407,355 5.155,356 2.961,357 1.979,358 2.533,360 6.089,361 1.939,362 3.118,363 2.117,364 4.835,365 2.618,366 1.618,367 2.427,369 4.827,370 1.618,371 3.083,372 1.924,373 4.587,374 2.578,375 1.6,376 2.294,378 4.507,379 1.552,380 2.93,381 1.74,382 4.412,383 2.516,384 1.524,385 2.096,387 4.354,388 1.5,389 2.878,390 1.618,391 4.04,392 2.4,393 1.414,394 2.015,395 3.513,396 1.399,397 2.819,398 1.489,399 3.755,400 2.352,401 1.401,402 1.946,403 3.017,404 1.31,405 2.647,406 1.421,407 3.617,408 2.235,409 1.247,410 1.628,411 2.843,412 1.227,413 2.263,414 1.139,415 3.361,416 1.715,417 0.716,418 1.049,419 1.669,420 0.714,421 17.871,422 0.47,423 1.208,424 0.032,425 53.75,426 1.414,427 30,428 0.789,429 23.75,430 0.625,431 30.014,432 0.79,433 39.729,434 0.685,435 50.285,436 1.323,437 10.891,438 0.287,439 7.245,440 0.191,441 0.125,442 0.047,443 0.358,445 2,447 0.556,448 0.938,449 0.716,450 1.038,451 0.619,452 0.811,453 0.58,454 0.956,455 0.804,456 0.979,457 0.593,458 0.947,459 0.811,460 1.006,461 0.988,462 1.112,463 0.816,464 1.067,465 0.953,466 0.912,467 1.058,468 1.027,469 0.919,470 1.061,471 0.793,472 0.831,473 0.863,474 0.988,475 0.796,476 1.029,477 0.845,478 0.72,479 0.835,480 0.824,481 0.899,482 0.952,483 0.857,484 0.838,485 0.881,486 0.951,487 0.845,488 0.94,489 0.772,490 0.713,491 0.958,492 0.874,493 0.819,494 0.936,495 9,496 0.308,497 5.556,498 3.799,499 2.667,500 1.591,501 0.879,502 0.894,503 0.615,504 0.44,505 23547,506 82017,507 2.059,508 34.5,510 18,513 2,517 1.788,518 1.892,519 3.785,520 0.175,525 103.109,526 1.778,527 3.695,528 4.623,529 5.487,530 5.686,531 5.755,532 3.251,533 4.965,534 5.22,535 3.971,536 2791.74,537 9.197,538 46557.7,542 339.763,543 1.636,544 5.156,545 0.214,546 0.007,547 0.09,548 0.058,549 0.045,550 0.028,551 0.017,552 0.017,553 0.012,554 0.009,555 0.496,556 0.17,557 0.75,558 0.588,559 211.488,560 0.001,561 -0.027,562 0.134,563 -0.013,564 -0.095,565 0.054,566 0.108,567 -0.041,568 -0.025,569 -0.044,570 0.07,571 -0.082,572 0.054,573 -0.046,574 -0.04,575 -0.118,576 0.045,577 -0.12,578 -0.066,579 -0.044,580 -0.092,581 -0.071,582 -0.021,583 -0.086,584 0.07,585 -0.015,586 0.051,587 -0.065,588 0.075,589 -0.03,590 0.065,591 0.094,592 0.061,593 0.082,594 0.036,595 0.047,596 -0.022,597 -0.028,598 0.074,599 0.008,600 -0.009,601 0.058,602 0.131,603 0.108,604 0.05,605 0.112,606 0.111,607 0.049,608 5.38,609 5.952,610 0.658,611 44.255,612 1.031,613 1.117,614 3.452,615 11.913,616 0.714,617 3.761,618 4.143,619 4.431,620 4.7,621 4.949,622 5.004,623 5.118,624 5.247,625 5.38,626 5.447,627 8.351,628 0.704,629 534.57,630 3.761,631 5.342,632 6.213,633 7.117,634 8.006,635 8.913,636 9.81,637 10.719,638 11.619,639 12.531,640 3.4,644 2,650 2,651 13,656 7,658 23,669 2,670 58,671 28,672 4,673 42,675 62,676 28,677 22,678 9,679 13,680 3,681 5,682 7,688 1,691 1,693 26,694 2,696 5,697 1,698 4,699 2,701 2,705 2,707 20,708 9,709 2,710 10,711 1,714 2,717 0.6,718 5,719 1,730 1,731 4,734 1,735 1,738 1,741 2,746 1,748 3,750 1,754 2,756 38,758 1,759 1,760 1,761 1,764 1,765 1,772 2,773 8.6,774 1,776 4,779 20.083,780 10.352,781 8.097,782 3.22,785 5.003,786 1.579,787 1.005,788 6.745,789 13.638,790 4.086,791 4.749,792 5.319,793 5.887,794 6.455,795 6.696,796 7.044,797 7.377,798 7.76,799 7.917,800 0.9,801 66,802 14.748,803 7.237,804 8.305,805 25.821,806 21.951,807 2.805,808 106.583,812 211.88,813 196.718,814 19.529,816 137.286,817 29.92,818 5.807,819 190.911,820 349.166,821 49.45,823 21.635,824 190.634,825 104.012,826 37.252,827 29.92,828 211.88,830 211.88,831 210.44,832 167.206,833 5.807,835 241.8,836 94.603,837 42.683,839 21.635,840 169.853,841 24.76,843 241.8,844 156.815,845 196.718,847 5.807,848 211.88,849 48.767,850 145.268,851 16.405,852 167.206,853 211.88,854 186.736,855 196.718,857 0.599,858 0.356,859 0.187,860 0.104,861 31,862 15,863 0.097,864 6,865 2,866 1.16,867 4.689,868 381.746,869 0.16,870 25,871 197.421,873 1,874 25.591,875 10.015,876 5.068,877 2.03,878 186.736,879 20.291,884 -1.24,886 59.088,887 595.334,888 58.5,889 -4.464,890 50.157,891 2.254,893 -1.572,895 59.778,896 64.795,897 0.303,898 0.631,899 0.789,900 0.937,901 0.971,902 0.982,903 5.351,904 1.979,905 6.248,906 6.209,907 4.828,908 5.438,909 2.596,910 7.13,911 4.767,912 6.609,913 1.618,914 7.862,915 6.089,916 4.635,917 5.497,918 2.04,919 8.301,920 4.497,921 7.964,922 1.6,923 9.584,924 4.827,925 6.529,926 7.757,927 3.558,928 11.386,929 6.387,930 9.358,931 1.524,932 11.37,933 4.507,934 7.132,935 8.612,936 3.783,937 13.388,938 6.895,939 10.786,940 1.414,941 13.199,942 4.354,943 8.56,944 10.405,945 4.912,946 16.064,947 8.311,948 12.239,949 1.401,950 15.057,951 3.513,952 9.508,953 11.616,954 5.452,955 18.388,956 9.169,957 13.712,958 1.247,959 16.939,960 3.017,961 10.778,962 13.236,963 6.41,964 20.947,965 10.409,966 3.398,967 0.716,968 18.838,969 2.843,970 11.874,971 14.609,972 7.081,973 23.392,974 11.426,975 3.367,976 12.521,977 20.751,978 1.669,979 13.093,980 16.162,981 7.957,982 25.918,983 12.603,984 2.92,985 12.256,986 22.676,987 4.713,988 14.253,989 17.611,990 8.689,991 28.408,992 13.693,993 2.71,994 9.234,995 24.61,996 4.338,997 15.459,998 19.14,999 9.524,1000 30.926,1001 14.849,1002 2.509,1003 8.07,1004 26.551,1005 4.191,1006 16.647,1007 20.626,1008 10.286,1009 33.433,1010 15.973,1011 2.346,1012 8.038,1013 28.5,1014 3.718,1015 17.852,1016 22.148,1017 11.1,1018 35.95,1019 17.125,1020 2.2,1021 7.429,1022 30.453,1023 3.188,1024 19.053,1025 23.653,1026 11.876,1027 38.464,1028 18.267,1029 22109,1030 41611,1031 27.452,1032 41.421,1033 64.827,1034 67.634,1035 66.56,1036 63.976,1037 63.935,1038 86.944,1039 9.669,1040 194.056,1041 62.065,1042 5.762,1043 6.69,1044 6.998,1045 5.393,1046 5.398,1047 7.713,1048 3.786,1049 20.037,1050 5.264,1051 22.177,1052 1.543,1053 1.61,1054 1.585,1055 1.523,1056 1.522,1057 2.07,1058 0.23,1059 4.62,1060 1.478,1061 4.123,1062 4.139,1063 4.737,1064 4.079,1065 8.24,1066 4.061,1067 4.064,1068 4.051,1069 4.062,1070 4.038,1071 8.161,1072 3.975,1073 3.999,1074 4.013,1075 3.964,1076 3.934,1077 7.718,1078 3.93,1079 3.703,1080 3.712,1081 3.767,1082 3.571,1083 7.43,1084 3.55,1085 3.571,1086 3.6,1087 3.537,1088 3.47,1089 7.427,1090 3.459,1091 3.482,1092 3.491,1093 3.425,1094 3.379,1095 6.999,1096 3.362,1097 3.361,1098 3.378,1099 3.305,1100 3.206,1101 6.444,1102 3.216,1103 3.103,1104 3.155,1105 2.988,1106 2.988,1107 4.902,1108 2.978,1109 0.116,1110 0.112,1111 0.174,1112 0.103,1113 0.081,1114 4.861,1115 0.112,1116 4.69,1117 0.053,1118 7.311,1119 0.298,1120 4.339,1121 0.078,1122 3.398,1123 4.713,1124 2.208,1125 12.521,1126 3.264,1127 2.078,1128 2.059,1129 2.164,1130 2.133,1131 1.313,1132 2.145,1133 1.949,1134 1.96,1135 2.009,1136 2.032,1137 1.171,1138 2.056,1139 1.914,1140 1.897,1141 1.931,1142 1.984,1143 1.137,1144 1.992,1145 1.584,1146 1.558,1147 1.742,1148 1.764,1149 0.916,1150 1.748,1151 1.558,1152 1.54,1153 1.653,1154 1.741,1155 0.728,1156 1.733,1157 1.395,1158 1.396,1159 1.49,1160 1.573,1161 0.589,1162 1.573,1163 1.29,1164 1.285,1165 1.352,1166 1.456,1167 0.502,1168 1.473,1169 1.117,1170 1.068,1171 1.244,1172 1.303,1173 0.442,1174 1.32,1175 4.443,1177 5.808,1178 2.398,1179 7.365,1180 4.949,1181 9.007,1182 7.209,1183 10.694,1187 26.604,1189 10.562,1190 0.162,1191 1.77,1194 -1.388,1195 1.416,1199 40.838,1200 103.109,1201 214.299,1202 268.147,1203 318.253,1204 329.763,1205 333.763,1206 116.276,1207 8.635,1208 103.78,1209 112.16,1210 29,1211 13.047,1212 4.858,1213 4.129,1214 59.124,1215 188,1216 198,1217 0.148,1218 248.503,1219 447.2,1220 598.106,1221 83704,1222 3.4,1223 27.026,1224 0.711,1225 0.538,1226 25.536,1227 20.453,1228 18.136,1229 0.432,1230 0.308,1231 11.404,1232 16.7,1233 11.095,1234 9.112,1235 18.152,1236 12.922,1237 17.373,1238 0.28,1239 0.167,1240 17.544,1241 10.355,1242 14.687,1243 0.177,1244 0.091,1245 14.829,1246 7.512,1247 11.962,1248 0.11,1249 0.049,1250 12.665,1251 5.306,1252 9.945,1253 0.071,1254 0.026,1255 10.163,1256 3.678,1257 0.236,1258 122.409,1259 0.191,1260 34.528,1261 0.399,1262 208,1263 788.152,1264 267.85,1265 727.979,1266 956.95,1267 668,1268 249,1269 649.837,1270 317.915,1271 683.089,1272 1004.71,1273 641,1274 4.699}
{0 CHEMBL125588,1 1.365,2 12.323,3 6.369,4 40.567,5 124.869,6 8.048,7 0.657,8 4.069,9 4.151,10 3.751,11 3.768,12 5.187,13 3.712,14 4.548,15 4.663,16 4.068,17 4.138,18 5.685,19 4.052,20 4.783,21 4.951,22 4.113,23 4.224,24 5.79,25 4.124,26 4.832,27 5.002,28 4.145,29 4.245,30 5.837,31 4.128,32 4.846,33 5.031,34 4.151,35 4.285,36 5.809,37 4.148,38 4.838,39 5.027,40 4.083,41 4.252,42 5.849,43 4.104,44 4.752,45 4.941,46 4.008,47 4.148,48 5.837,49 4.023,50 4.676,51 4.843,52 3.996,53 4.08,54 5.762,55 3.967,56 0.029,57 0.585,58 9.796,59 5.094,60 9.1,61 6.114,62 0.174,63 0.983,64 18.29,65 8.739,66 37.98,67 10.468,68 0.146,69 1.288,70 25.681,71 11.479,72 33.561,73 13.94,74 0.276,75 1.368,76 29.423,77 12.334,78 43.646,79 14.201,80 0.17,81 1.425,82 31.247,83 13.296,84 29.448,85 15.878,86 0.185,87 1.439,88 33.843,89 13.769,90 35.016,91 16.057,92 0.173,93 1.299,94 29.336,95 12.116,96 39.499,97 14.307,98 0.241,99 1.178,100 26.483,101 10.736,102 39.159,103 12.225,104 6,105 49,106 0.223,107 0.516,108 0.672,109 0.815,110 0.884,111 0.899,112 3.472,113 0.964,114 -6.34,115 -6.17,116 -5.73,118 50.9,120 1,121 2,124 1,133 14,134 5,135 1,141 1,142 1,145 1,150 1,153 1,154 22,155 1,158 4,160 1,162 1,164 27,165 2,167 6,170 2,171 23,172 1,175 6,179 1,180 21,181 2,184 4,189 2,192 21,193 3,196 4,200 3,202 22,203 2,206 4,210 2,211 24,212 1,215 4,219 1,222 22,223 1,226 4,230 1,233 18,234 1,236 1664,237 21.482,238 21.482,239 21.482,240 21.482,241 21.482,242 18.602,243 15.182,244 12.83,245 21.773,246 17.325,247 17.325,248 17.325,249 17.325,250 17.325,251 13.088,252 16.701,253 6.103,254 17.799,255 4.363,256 2.569,257 1.617,258 0.739,259 0.316,260 0.226,261 4.176,266 1,267 847,268 3.082,269 49.057,270 76.055,271 303.34,277 1.946,278 22.332,280 0.75,281 0.83,282 0.83,283 0.5,284 0.5,285 0.83,286 1,287 0.75,288 65,289 382,290 4.535,291 3.831,292 6.935,293 4.305,294 3.307,295 4.191,296 2.341,297 11.716,298 3.301,299 4.368,300 3.254,301 6.529,302 4.017,303 3.058,304 3.937,305 1.151,306 10.295,307 2.935,308 4.076,309 3.166,310 6.312,311 3.792,312 2.802,313 3.451,315 9.485,316 2.766,317 3.894,318 2.811,319 5.479,320 3.505,321 2.517,322 3.391,324 7.065,325 2.487,326 3.702,327 2.654,328 5.342,329 3.237,330 2.281,331 3.114,333 6.803,334 2.176,335 3.239,336 2.293,337 5.111,338 2.869,339 1.9,340 2.444,342 5.717,343 1.816,344 3.082,345 1.905,346 4.534,347 2.661,348 1.671,349 2.249,351 4.225,352 1.642,353 2.975,354 1.675,355 4.079,356 2.538,357 1.562,358 2.157,360 3.451,361 1.52,362 2.862,363 1.507,364 3.817,365 2.402,366 1.414,367 2.019,369 3.09,370 1.392,371 2.73,372 1.437,373 3.634,374 2.262,375 1.273,376 1.826,378 2.983,379 1.253,380 2.635,381 1.245,382 3.596,383 2.186,384 1.204,385 1.649,387 2.879,388 1.174,389 2.5,390 1,391 3.549,392 2,393 1,394 1.5,395 2.3,396 1,397 2.373,398 0.958,399 3.266,400 1.85,401 0.882,402 1.311,403 2.136,404 0.843,405 2.163,406 0.876,407 3.247,408 1.533,409 0.677,410 0.998,411 1.64,412 0.564,413 1.845,414 0.674,415 3.074,416 1.501,417 0.602,418 0.73,419 1.409,420 0.533,421 15.333,422 0.495,423 0.64,424 0.021,425 42.5,426 1.371,427 24,428 0.774,429 18.5,430 0.597,431 24.869,432 0.802,433 30.867,434 0.582,435 30.852,436 0.995,437 8.239,438 0.266,439 6.964,440 0.225,441 0.043,443 0.326,447 0.751,448 0.842,449 0.727,450 0.804,451 0.711,452 0.799,453 0.705,454 1.006,455 0.954,456 1,457 0.483,458 1.003,459 0.965,460 1.01,461 0.911,462 0.974,463 0.91,464 0.981,465 1.262,466 0.97,467 1.066,468 0.985,469 1.035,470 0.996,471 0.816,472 0.999,473 1.109,474 1.056,475 0.539,476 0.992,477 0.844,478 1.061,479 1.32,480 1.194,481 0.821,482 1.043,483 0.949,484 1.015,485 1.146,486 1.086,487 1.031,488 0.981,489 1.168,490 1.073,491 1.139,492 1.134,493 1.303,494 1.059,495 4.5,496 0.156,497 3.222,498 1.979,499 1.136,500 1.074,501 0.589,502 0.352,503 0.267,504 0.207,505 14021,506 36174,507 2.18,508 41.5,509 3,510 16,511 1,513 1,514 1,517 1.738,518 2.09,519 3.576,520 -0.457,525 72.335,526 1.365,527 3.159,528 4.111,529 4.989,530 5.412,531 5.502,532 3.087,533 4.761,534 4.923,535 3.754,536 1745.8,537 8.609,538 25043.9,542 303.58,543 1.215,544 4.907,545 0.129,546 0.007,547 0.07,548 0.042,549 0.025,550 0.023,551 0.014,552 0.009,553 0.007,554 0.007,555 0.332,556 0.33,557 0.75,558 0.575,559 161.615,560 -0.037,561 0.075,562 0.053,563 0.084,564 -0.067,565 0.067,566 0.106,567 -0.064,568 -0.066,569 -0.059,570 0.152,571 -0.099,572 -0.033,573 -0.047,574 0.004,575 -0.027,576 -0.08,577 -0.029,578 -0.122,579 0.016,580 -0.032,581 0.02,582 -0.131,583 -0.038,584 -0.024,585 -0.002,586 0.006,587 0.009,588 0.029,589 0.007,590 -0.035,591 -0.045,592 -0.091,593 -0.068,594 0.018,595 -0.027,596 -0.029,597 -0.015,598 -0.027,599 -0.026,600 0.024,601 0.017,602 -0.06,603 -0.082,604 -0.057,605 -0.103,606 -0.151,607 -0.097,608 2.365,609 4.372,610 0.839,611 32.872,612 0.996,613 1.097,614 5.11,615 26.116,616 0.724,617 3.584,618 3.912,619 4.19,620 4.466,621 4.663,622 4.754,623 4.913,624 5.024,625 5.136,626 5.226,627 7.233,628 0.682,629 426.56,630 3.584,631 5.13,632 5.999,633 6.889,634 7.779,635 8.678,636 9.577,637 10.482,638 11.387,639 12.296,651 15,655 1,656 7,658 23,668 1,670 53,671 24,672 3,673 35,675 57,676 27,677 22,678 5,679 13,681 5,682 5,688 1,689 2,691 1,693 23,694 4,695 2,696 1,698 1,701 1,707 22,708 3,709 1,710 4,711 1,717 1,718 3,729 1,730 1,731 3,739 1,746 1,748 5,750 1,756 31,759 1,760 2,762 1,764 2,769 1,773 5.7,775 1,776 1,778 1,779 14.833,780 9.367,781 6.778,782 3.161,785 4.731,786 1.579,787 1.004,788 5.606,789 12.898,790 3.882,791 4.474,792 5.044,793 5.626,794 6.117,795 6.371,796 6.82,797 7.214,798 7.615,799 7.977,800 1,801 47,802 11.479,803 5.003,804 7.672,805 22.228,806 19.022,807 2.172,808 67.333,812 247.193,813 202.161,816 78.828,818 31.278,819 170.883,820 326.021,823 7.127,824 140.317,825 68.738,826 32.171,827 13.13,828 266.7,830 247.193,831 170.883,832 78.828,833 31.278,835 247.193,836 78.828,839 7.127,840 163.756,842 31.278,843 247.193,844 78.828,845 202.161,848 247.193,849 61.844,850 140.317,852 78.828,853 247.193,854 78.828,855 202.161,857 0.578,858 0.333,859 0.187,860 0.098,861 25,862 10,863 0.123,864 7,866 1,867 4.36,868 286.073,870 26,871 149.58,872 1,874 20.019,875 8.681,876 4.424,878 78.828,879 30.786,883 1.685,884 7.594,886 42.683,887 528.182,888 47.5,890 11.372,893 -0.699,895 52.778,896 58.115,897 0.238,898 0.551,899 0.718,900 0.871,901 0.945,902 0.96,903 5.11,904 1.562,905 5.974,906 4.225,907 4.595,908 5.162,909 2.502,910 6.808,911 4.545,912 6.316,913 1.414,914 7.543,915 3.451,916 4.205,917 4.832,918 2.243,919 7.849,920 4.155,921 7.621,922 1.273,923 9.222,924 3.09,925 6.229,926 7.32,927 3.717,928 10.951,929 6.147,930 8.963,931 1.204,932 10.968,933 2.983,934 6.698,935 7.827,936 4.112,937 12.838,938 6.613,939 10.337,940 1,941 12.759,942 2.879,943 8.183,944 9.754,945 5.227,946 15.479,947 8.08,948 11.736,949 0.882,950 14.58,951 2.3,952 9.036,953 10.671,954 5.889,955 17.685,956 8.928,957 13.152,958 0.677,959 16.421,960 2.136,961 10.314,962 12.341,963 6.855,964 20.181,965 10.194,966 3.307,967 0.602,968 18.277,969 1.64,970 11.34,971 13.477,972 7.625,973 22.516,974 11.216,975 3.058,976 11.716,977 20.145,978 1.409,979 12.54,980 15.018,981 8.527,982 24.966,983 12.409,984 2.802,985 10.295,986 22.021,987 4.191,988 13.644,989 16.275,990 9.342,991 27.358,992 13.509,993 2.517,994 9.485,995 23.905,996 3.937,997 14.818,998 17.751,999 10.216,1000 29.796,1001 14.679,1002 2.281,1003 7.065,1004 25.794,1005 3.451,1006 15.957,1007 19.076,1008 11.051,1009 32.214,1010 15.817,1011 1.9,1012 6.803,1013 27.687,1014 3.391,1015 17.126,1016 20.52,1017 11.912,1018 34.652,1019 16.983,1020 1.671,1021 5.717,1022 29.585,1023 3.114,1024 18.283,1025 21.884,1026 12.755,1027 37.084,1028 18.14,1029 12986,1030 20982,1031 24.156,1032 38.387,1033 53.239,1034 53.381,1035 53.28,1036 52.184,1037 52.3,1038 69.932,1039 6.983,1040 150.384,1041 50.804,1042 5.411,1043 5.831,1044 6.737,1045 5.414,1046 5.307,1047 7.191,1048 3.925,1049 19.261,1050 5.301,1051 10.822,1052 1.521,1053 1.525,1054 1.522,1055 1.491,1056 1.494,1057 1.998,1058 0.2,1059 4.297,1060 1.452,1061 4.093,1062 4.109,1063 4.266,1064 4.078,1065 7.474,1066 4.048,1067 3.956,1068 3.975,1069 3.942,1070 3.905,1071 6.351,1072 3.89,1073 3.886,1074 3.912,1075 3.848,1076 3.841,1077 4.908,1078 3.827,1079 3.764,1080 3.79,1081 3.739,1082 3.702,1083 4.772,1084 3.684,1085 3.6,1086 3.62,1087 3.623,1088 3.57,1089 4.716,1090 3.535,1091 3.227,1092 3.271,1093 3.097,1094 3.042,1095 4.472,1096 3.045,1097 3.113,1098 3.101,1099 3.039,1100 2.824,1101 4.289,1102 2.848,1103 2.881,1104 2.93,1105 2.859,1106 2.785,1107 4.129,1108 2.795,1109 0.13,1110 0.109,1111 0.198,1112 0.123,1113 0.094,1114 4.535,1115 0.12,1116 3.831,1117 0.067,1118 6.935,1119 0.335,1120 4.305,1121 0.094,1122 3.307,1123 4.191,1124 2.341,1125 11.716,1126 3.301,1127 1.943,1128 1.924,1129 2.044,1130 2.019,1131 1.213,1132 2.028,1133 1.918,1134 1.897,1135 2.028,1136 1.988,1137 1.147,1138 2.003,1139 1.872,1140 1.849,1141 1.976,1142 1.939,1143 1.09,1144 1.957,1145 1.398,1146 1.37,1147 1.54,1148 1.613,1149 0.823,1150 1.567,1151 1.348,1152 1.335,1153 1.526,1154 1.481,1155 0.729,1156 1.503,1157 1.272,1158 1.284,1159 1.452,1160 1.42,1161 0.64,1162 1.429,1163 1.188,1164 1.141,1165 1.42,1166 1.323,1167 0.607,1168 1.364,1169 1.156,1170 1.095,1171 1.227,1172 1.249,1173 0.54,1174 1.34,1175 4.263,1176 1.946,1177 5.587,1178 4.111,1179 7.114,1180 6.138,1181 8.733,1182 8.085,1183 10.402,1189 9.351,1190 1.247,1192 6.146,1194 -0.148,1199 36.126,1200 72.335,1201 167.409,1202 217.87,1203 264.419,1204 286.825,1205 291.58,1206 49.439,1207 8.168,1208 46.53,1209 74.77,1210 26,1211 12.813,1212 4.644,1213 3.755,1214 43.605,1215 134,1216 138,1217 0.157,1218 220.788,1219 383.46,1220 530.482,1221 47275,1223 21.209,1224 0.684,1225 0.572,1226 21.562,1227 17.718,1228 15.204,1229 0.434,1230 0.321,1231 10.387,1232 14.47,1233 10.075,1234 8.307,1235 15.658,1236 11.252,1237 13.543,1238 0.276,1239 0.179,1240 14.093,1241 8.755,1242 11.3,1243 0.174,1244 0.1,1245 11.988,1246 6.496,1247 9.614,1248 0.112,1249 0.056,1250 10.422,1251 4.848,1252 7.558,1253 0.072,1254 0.031,1255 8.23,1256 3.247,1257 0.248,1258 97.825,1259 0.203,1260 29.225,1261 0.428,1262 168,1263 436.481,1264 198.254,1265 449.328,1266 618.45,1267 422,1268 201,1269 437.521,1270 228.352,1271 462.753,1272 678.59,1273 437,1274 4.658}
{0 CHEMBL1271476,1 1.609,2 11.63,3 3.47,4 12.038,5 108.421,6 8.125,7 0.414,8 3.935,9 4.051,10 3.569,11 3.522,12 5.088,13 3.496,14 4.427,15 4.584,16 3.924,17 3.89,18 5.591,19 3.835,20 4.69,21 4.881,22 4.018,23 4.017,24 5.828,25 3.939,26 4.734,27 4.943,28 3.919,29 3.932,30 5.895,31 3.849,32 4.651,33 4.863,34 3.898,35 3.847,36 5.959,37 3.787,38 4.581,39 4.788,40 3.898,41 3.812,42 5.839,43 3.753,44 4.491,45 4.687,46 3.723,47 3.718,48 5.738,49 3.654,50 4.406,51 4.618,52 3.534,53 3.627,54 5.559,55 3.544,56 0.036,57 0.658,58 8.287,59 4.005,60 6.995,61 5.101,62 0.244,63 1.035,64 15.754,65 6.761,66 20.371,67 8.929,68 0.275,69 1.262,70 24.26,71 9.061,72 39.247,73 11.767,74 0.364,75 1.244,76 29.991,77 9.413,78 55.763,79 12.026,80 0.531,81 1.178,82 25.032,83 8.058,84 78.243,85 10.377,86 0.355,87 1.066,88 24.496,89 7.986,90 59.133,91 10.066,92 0.356,93 0.978,94 21.441,95 6.98,96 57.726,97 8.576,98 0.296,99 0.898,100 20.55,101 6.684,102 47.606,103 8.408,104 18,105 39,106 0.274,107 0.613,108 0.787,109 0.888,110 0.913,111 0.913,112 3.339,113 0.935,114 -4.79,115 -4.7,116 -4.42,118 44.7,119 1,120 1,124 1,129 2,131 1,132 1,133 8,134 2,135 2,145 1,146 1,154 11,157 1,158 2,160 2,161 1,162 3,164 13,167 3,168 2,170 3,171 9,175 8,179 5,180 4,183 2,184 5,187 2,189 5,192 3,196 5,200 3,202 6,206 7,210 5,211 8,215 5,219 2,222 5,226 7,230 3,233 5,236 1174,237 18.231,238 18.231,239 18.231,240 18.231,241 18.231,242 16.043,243 24.263,244 10.874,245 18.517,246 14.25,247 14.25,248 14.25,249 14.25,250 14.25,251 10.9,252 29.956,253 5.094,254 14.747,255 3.945,256 1.951,257 0.926,258 0.33,259 0.186,260 0.186,261 4.021,262 1,264 1,265 1,266 1,267 664,268 3.24,271 287.661,277 1.866,278 26.788,280 1,281 1,282 1,283 0.6,284 0.5,285 1,286 1,287 0.87,288 57.833,289 314,290 4.31,291 3.745,292 6.427,293 3.994,294 3.027,295 3.794,296 1.656,297 9.836,298 2.922,299 4.14,300 3.525,301 6.019,302 3.728,303 2.771,304 3.687,305 1.23,306 8.553,307 2.675,308 4.081,309 3.189,310 5.644,311 3.679,312 2.706,313 3.601,314 0.521,315 7.858,316 2.586,317 3.645,318 2.803,319 5.304,320 3.314,321 2.34,322 2.863,323 0.247,324 6.689,325 2.267,326 3.309,327 2.385,328 5.05,329 2.972,330 2.018,331 2.49,333 5.964,334 1.921,335 3.143,336 2.239,337 4.609,338 2.731,339 1.741,340 2.255,342 4.787,343 1.704,344 3,345 2.093,346 4.167,347 2.429,348 1.414,349 2.033,351 3.697,352 1.429,353 2.878,354 1.828,355 3.878,356 2.404,357 1.414,358 2,360 3.181,361 1.398,362 2.818,363 1.5,364 3.599,365 2.332,366 1.409,367 1.917,369 2.969,370 1.228,371 2.671,372 1.273,373 3.494,374 2.201,375 1.204,376 1.745,378 2.624,379 1.199,380 1.967,381 1.101,382 3.16,383 1.482,384 0.48,385 0.623,387 1.183,388 0.469,389 1.584,390 0.595,391 2.88,392 1.429,393 0.429,394 0.482,395 0.625,396 0.429,397 1.322,398 0.533,399 2.684,400 1.026,401 0.096,402 0.11,403 0.235,404 0.083,405 1.188,406 0.49,407 2.428,408 0.806,409 -0.164,410 -0.212,411 -0.406,412 -0.146,413 1.133,414 0.182,415 2.297,416 0.606,417 -0.342,418 -0.442,419 -0.8,420 -0.297,421 13.081,422 0.484,423 0.609,424 0.023,425 35.5,426 1.315,427 18.5,428 0.685,429 17,430 0.63,431 20.552,432 0.761,433 28.319,434 0.603,435 27.252,436 1.009,437 7.288,438 0.27,439 5.775,440 0.214,441 0.144,443 0.298,447 0.68,448 1.25,449 0.637,450 0.933,451 0.549,452 0.878,453 0.51,454 1.109,455 0.712,456 0.959,457 0.517,458 0.965,459 0.921,460 1.128,461 0.917,462 1.036,463 0.89,464 1.024,465 1.299,466 1.187,467 1.187,468 1.144,469 1.29,470 1.07,471 1.19,472 0.903,473 0.889,474 0.835,475 1.21,476 0.865,477 1.26,478 0.982,479 0.891,480 0.904,481 1.32,482 0.848,483 1.578,484 1,485 1.032,486 0.937,487 1.725,488 0.964,489 1.462,490 0.933,491 1.097,492 0.926,493 1.511,494 0.957,495 5.5,496 0.107,497 2.667,498 1.938,499 1.458,500 0.813,501 0.527,502 0.321,503 0.234,504 0.16,505 9059,506 25785,507 2.035,508 42.6,509 5,510 12,511 1,513 2,517 1.699,518 1.906,519 3.506,520 0.231,522 1,525 75.634,526 1.609,527 3.603,528 4.629,529 5.225,530 5.368,531 5.368,532 2.922,533 4.533,534 4.727,535 3.67,536 1288.29,537 8.197,538 16984.7,540 1,541 1,542 261.066,543 1.399,544 4.685,545 0.19,546 0.006,547 0.068,548 0.048,549 0.042,550 0.023,551 0.016,552 0.011,553 0.009,554 0.007,555 0.42,556 0.17,557 1,558 0.76,559 135.389,560 -0.052,561 -0.1,562 0.014,563 -0.008,564 -0.056,565 0.016,566 0.225,567 -0.005,568 0.036,569 -0.027,570 0.085,571 -0.047,572 0.006,573 -0.098,574 -0.009,575 -0.08,576 -0.016,577 -0.075,578 -0.111,579 -0.206,580 -0.109,581 -0.173,582 -0.091,583 -0.113,584 0.098,585 0.131,586 0.028,587 0.085,588 0.137,589 0.053,590 -0.019,591 0.002,592 0.11,593 0.057,594 0.02,595 0.103,596 -0.217,597 0.006,598 -0.092,599 0.002,600 -0.193,601 -0.045,602 -0.243,603 0.055,604 -0.132,605 0.03,606 -0.192,607 -0.008,608 2.129,609 5.65,610 0.667,611 26.203,612 1.005,613 1.119,614 3.561,615 12.683,616 0.694,617 3.401,618 3.689,619 3.912,620 4.111,621 4.29,622 4.234,623 4.263,624 4.344,625 4.394,626 4.407,627 6.85,628 0.661,629 381.89,630 3.401,631 4.92,632 5.746,633 6.6,634 7.44,635 8.297,636 9.142,637 10,638 10.847,639 11.706,640 6.4,644 3,651 8,656 4,658 12,669 1,670 47,671 16,672 2,673 29,675 49,676 21,677 12,678 4,679 8,680 5,681 3,682 3,683 1,684 1,685 1,691 1,693 18,694 3,696 4,698 2,699 3,701 3,704 1,707 20,708 5,709 2,710 6,711 1,714 3,717 1,718 2,731 3,738 1,741 3,748 3,752 1,753 1,756 27,760 2,761 2,765 1,772 1,773 4.3,776 2,779 14.167,780 8.593,781 6.083,782 2.822,785 2.803,786 1.395,787 0.982,788 6.325,789 9.896,790 3.689,791 4.22,792 4.7,793 5.165,794 5.613,795 5.593,796 5.733,797 6.024,798 6.274,799 6.5,800 0.875,801 40,802 9.981,803 4.19,804 7.862,805 18.762,806 14.929,807 2.362,808 63.778,811 1,812 211.88,813 141.641,814 39.146,815 39.149,816 50.29,819 141.641,820 301.318,821 39.146,822 8.825,823 52.833,824 94.762,825 57.751,826 12.629,827 16.047,828 200.109,829 39.149,830 211.88,831 180.787,832 50.29,833 39.149,835 211.88,836 50.29,839 52.611,840 106.466,841 60.858,843 211.88,844 89.436,845 180.79,848 211.88,849 29.006,850 115.759,851 36.022,852 89.438,853 211.88,854 89.436,855 180.79,857 0.572,858 0.335,859 0.175,860 0.094,861 17,862 8,863 0.102,864 5,866 1,867 3.904,868 218.406,870 18,871 128.382,874 19.21,875 8.89,876 4.997,878 89.436,879 14.932,884 3.226,886 36.022,887 482.105,888 39,890 24.916,891 4.957,893 -0.556,895 47.236,896 52.595,897 0.29,898 0.649,899 0.833,900 0.941,901 0.966,902 0.966,903 4.905,904 1.414,905 5.714,906 3.697,907 4.369,908 4.905,909 2.222,910 6.472,911 4.301,912 6.095,913 1.409,914 7.244,915 3.181,916 3.892,917 4.575,918 1.305,919 7.256,920 3.759,921 7.381,922 1.204,923 8.871,924 2.969,925 5.916,926 6.987,927 2.722,928 10.324,929 5.778,930 8.697,931 0.48,932 10.554,933 2.624,934 6.236,935 7.417,936 2.426,937 11.907,938 6.031,939 10.04,940 0.429,941 12.273,942 1.183,943 7.724,944 9.317,945 3.434,946 14.482,947 7.512,948 11.403,949 0.096,950 14.018,951 0.625,952 8.426,953 10.123,954 3.478,955 16.415,956 8.153,957 12.781,958 -0.164,959 15.78,960 0.235,961 9.683,962 11.781,963 4.267,964 18.804,965 9.394,966 3.027,967 -0.342,968 17.556,969 -0.406,970 10.573,971 12.791,972 4.509,973 20.903,974 10.231,975 2.771,976 9.836,977 19.343,978 -0.8,979 11.726,980 14.315,981 5.174,982 23.218,983 11.362,984 2.706,985 8.553,986 21.138,987 3.794,988 12.71,989 15.443,990 5.531,991 25.4,992 12.3,993 2.34,994 7.858,995 22.941,996 3.687,997 13.818,998 16.888,999 6.125,1000 27.686,1001 13.38,1002 2.018,1003 6.689,1004 24.75,1005 3.601,1006 14.85,1007 18.085,1008 6.547,1009 29.911,1010 14.37,1011 1.741,1012 5.964,1013 26.564,1014 2.863,1015 15.94,1016 19.482,1017 7.102,1018 32.187,1019 15.43,1020 1.414,1021 4.787,1022 28.383,1023 2.49,1024 16.997,1025 20.723,1026 7.56,1027 34.435,1028 16.448,1029 8829,1030 15067,1031 19.186,1032 32.637,1033 42.812,1034 44.441,1035 43.913,1036 42.25,1037 42.098,1038 55.197,1039 7.31,1040 116.406,1041 40.618,1042 5.256,1043 5.745,1044 6.115,1045 5.042,1046 5.027,1047 6.794,1048 2.912,1049 16.746,1050 4.922,1051 13.37,1052 1.476,1053 1.532,1054 1.514,1055 1.457,1056 1.452,1057 1.903,1058 0.252,1059 4.014,1060 1.401,1061 3.983,1062 4.017,1063 4.023,1064 3.898,1065 7.435,1066 3.896,1067 3.922,1068 3.953,1069 3.886,1070 3.858,1071 7.424,1072 3.853,1073 3.81,1074 3.84,1075 3.793,1076 3.695,1077 4.933,1078 3.706,1079 3.476,1080 3.54,1081 3.4,1082 3.271,1083 4.751,1084 3.271,1085 3.341,1086 3.411,1087 3.295,1088 3.12,1089 4.565,1090 3.142,1091 3.156,1092 3.222,1093 3.166,1094 3.005,1095 4.341,1096 3.002,1097 3.006,1098 3.041,1099 3.019,1100 2.819,1101 4.082,1102 2.835,1103 2.879,1104 2.922,1105 2.927,1106 2.797,1107 3.988,1108 2.769,1109 0.149,1110 0.129,1111 0.222,1112 0.138,1113 0.104,1114 4.31,1115 0.131,1116 3.745,1117 0.057,1118 6.427,1119 0.339,1120 3.994,1121 0.101,1122 3.027,1123 3.794,1124 1.656,1125 9.836,1126 2.922,1127 1.928,1128 1.899,1129 2.052,1130 2.041,1131 1.206,1132 2.04,1133 1.917,1134 1.891,1135 2.016,1136 2.011,1137 1.174,1138 2.02,1139 1.769,1140 1.738,1141 1.876,1142 1.901,1143 0.937,1144 1.9,1145 1.442,1146 1.369,1147 1.736,1148 1.67,1149 0.848,1150 1.686,1151 1.27,1152 1.212,1153 1.465,1154 1.543,1155 0.627,1156 1.528,1157 1.147,1158 1.088,1159 1.373,1160 1.346,1161 0.343,1162 1.37,1163 0.94,1164 0.899,1165 1.158,1166 1.166,1167 0.24,1168 1.159,1169 0.868,1170 0.824,1171 1.134,1172 1.024,1173 0.208,1174 1.063,1175 4.078,1177 5.371,1179 6.86,1181 8.435,1183 10.052,1185 2.046,1186 6.17,1190 1.205,1191 5.372,1195 1.508,1199 31.063,1200 75.634,1201 169.36,1202 217.556,1203 245.556,1204 252.311,1205 252.311,1206 53.489,1207 7.093,1208 63.13,1209 63.13,1210 18,1211 12.26,1212 4.087,1213 3.459,1214 47.077,1215 110,1216 110,1217 0.205,1218 197.464,1219 352.37,1220 473.571,1221 11795,1222 2.1,1223 19.225,1224 0.712,1225 0.58,1226 19.725,1227 15.663,1228 13.063,1229 0.45,1230 0.312,1231 8.606,1232 12.415,1233 8.355,1234 6.979,1235 13.352,1236 9.042,1237 11.451,1238 0.294,1239 0.166,1240 11.822,1241 6.487,1242 9.441,1243 0.193,1244 0.092,1245 9.821,1246 4.529,1247 7.519,1248 0.125,1249 0.049,1250 7.773,1251 2.916,1252 5.937,1253 0.082,1254 0.026,1255 6.155,1256 1.905,1257 0.326,1258 84.099,1259 0.228,1260 26.215,1261 0.55,1262 136,1263 407.985,1264 162.636,1265 429.189,1266 569.47,1267 398,1268 156,1269 389.812,1270 178.608,1271 406.69,1272 589.46,1273 382,1274 5}
{0 CHEMBL1290413,1 1.796,2 9.765,3 5.963,4 35.556,5 119.166,6 8.729,7 0.432,8 4.158,9 4.242,10 3.95,11 3.747,12 5.321,13 3.722,14 4.763,15 4.897,16 4.36,17 4.17,18 6.432,19 4.148,20 5.044,21 5.216,22 4.416,23 4.364,24 6.274,25 4.32,26 5.18,27 5.36,28 4.565,29 4.48,30 6.405,31 4.429,32 5.286,33 5.469,34 4.599,35 4.567,36 6.614,37 4.498,38 5.343,39 5.529,40 4.557,41 4.623,42 6.478,43 4.516,44 5.454,45 5.665,46 4.511,47 4.55,48 6.738,49 4.451,50 5.371,51 5.61,52 4.287,53 4.261,54 6.728,55 4.193,56 0.251,57 1.09,58 11.084,59 6.512,60 61.503,61 6.399,62 1.14,63 2.158,64 24.065,65 11.152,66 224.07,67 11.925,68 1.017,69 2.226,70 32.191,71 13.807,72 178.433,73 15.422,74 1.197,75 2.629,76 37.082,77 16.018,78 188.34,79 17.514,80 1.537,81 2.693,82 42.959,83 18.427,84 272.628,85 20.728,86 1.299,87 2.681,88 50.191,89 21.276,90 266.154,91 23.695,92 1.957,93 2.838,94 63.555,95 22.33,96 336.899,97 24.991,98 2.284,99 2.485,100 61.756,101 18.853,102 413.234,103 20.375,104 111,105 58,106 0.292,107 0.633,108 0.789,109 0.845,110 0.856,111 0.856,112 3.562,113 1.024,114 -5.77,115 -5.63,116 -5.25,118 42.1,119 1,120 4,121 1,123 1,125 1,127 1,133 6,134 4,135 2,142 2,145 1,150 1,153 1,154 13,155 1,157 1,158 6,160 1,162 1,164 15,165 1,167 10,170 1,171 13,172 1,174 2,175 6,176 1,179 1,180 14,181 2,183 1,184 7,187 1,189 2,192 21,193 2,196 10,200 2,202 21,203 3,206 13,210 3,211 15,212 3,215 7,216 2,219 3,222 7,223 2,225 2,226 4,228 2,230 2,233 1,234 1,236 2158,237 21.444,238 21.444,239 21.444,240 21.444,241 21.444,242 19.129,243 25.242,244 11.981,245 22.085,246 18.268,247 18.268,248 18.268,249 18.268,250 18.268,251 14.469,252 27.812,253 5.683,254 19.457,255 4.037,256 1.939,257 0.978,258 0.636,259 0.566,260 0.566,261 4.243,266 1,267 698,268 4.899,270 58.431,271 242.256,274 223.705,277 1.394,278 82.067,280 0.75,281 0.67,282 1,283 0.8,284 0.5,285 1,286 1,287 0.82,288 78.5,289 332,290 4.984,291 5.191,292 7.472,293 4.503,294 3.563,295 4.967,296 3.825,297 13.58,298 3.378,299 4.644,300 4.46,301 7.111,302 4.175,303 3.315,304 4.441,305 2.95,306 11.721,307 2.907,308 4.441,309 3.675,310 7.046,311 4.115,312 3.218,313 3.854,314 2.341,315 11.656,316 2.853,317 4.025,318 3.555,319 6.275,320 3.742,321 2.765,322 3.42,323 0.522,324 9.241,325 2.661,326 3.899,327 3.057,328 6.107,329 3.58,330 2.604,331 3.252,333 8.724,334 2.513,335 3.595,336 2.95,337 5.58,338 3.209,339 2.248,340 2.898,342 6.984,343 2.142,344 3.506,345 2.613,346 5.188,347 3.084,348 2.122,349 2.788,351 6.306,352 2.017,353 3.324,354 2.423,355 4.929,356 2.931,357 1.956,358 2.55,360 5.441,361 1.88,362 3.042,363 2.225,364 4.685,365 2.666,366 1.721,367 2.159,369 4.899,370 1.592,371 2.772,372 1.928,373 4.531,374 2.449,375 1.485,376 1.822,378 4.258,379 1.416,380 2.58,381 1.589,382 4.353,383 2.268,384 1.278,385 1.583,387 3.737,388 1.258,389 2.5,390 1.342,391 3.968,392 2.123,393 1.15,394 1.5,395 2.982,396 1.109,397 2.328,398 1,399 3.621,400 2,401 1,402 1.314,403 2.275,404 1,405 1.896,406 0.971,407 3.414,408 1.594,409 0.63,410 0.765,411 1.718,412 0.602,413 1.203,414 0.769,415 3.049,416 0.945,417 -0.033,418 -0.037,419 -0.089,420 -0.032,421 15.71,422 0.462,423 1.472,424 0.043,425 39.75,426 1.169,427 18.5,428 0.544,429 21.25,430 0.625,431 37.337,432 1.098,433 38.89,434 0.682,435 38.627,436 1.136,437 7.43,438 0.219,439 8.355,440 0.246,441 0.221,442 0.085,443 0.376,444 3,445 1,447 0.534,448 0.936,449 0.732,450 1.134,451 0.613,452 0.941,453 0.411,454 0.798,455 0.789,456 1.034,457 0.368,458 0.937,459 0.737,460 0.845,461 0.839,462 0.914,463 0.7,464 0.967,465 0.737,466 0.898,467 0.854,468 0.956,469 0.692,470 1.023,471 0.636,472 0.771,473 0.904,474 0.988,475 0.632,476 1.069,477 0.635,478 0.791,479 1.117,480 1.218,481 0.669,482 1.229,483 0.833,484 0.787,485 1.172,486 1.151,487 0.891,488 1.153,489 1.236,490 0.865,491 1.073,492 0.896,493 1.277,494 0.973,495 10,496 0.359,497 4.667,498 3.924,499 3.218,500 2.737,501 1.625,502 0.863,503 0.787,504 0.507,505 13013,506 53530,507 1.96,508 40.4,509 6,510 10,513 1,514 3,515 3,517 1.771,518 1.744,519 3.186,520 -0.304,525 102.394,526 1.796,527 3.894,528 4.854,529 5.197,530 5.267,531 5.267,532 2.644,533 4.455,534 5.055,535 3.438,536 1928.59,537 8.931,538 27553.2,542 332.475,543 1.809,544 4.952,545 0.27,546 0.013,547 0.08,548 0.063,549 0.047,550 0.039,551 0.025,552 0.014,553 0.018,554 0.013,555 0.583,556 0.17,557 0.75,558 1.128,559 176.062,560 0.003,561 -0.006,562 0.125,563 0.027,564 -0.078,565 0.055,566 0.308,567 0.17,568 0.08,569 0.018,570 0.35,571 0.044,572 -0.081,573 -0.045,574 -0.024,575 0.032,576 -0.042,577 0.021,578 -0.051,579 -0.02,580 -0.013,581 -0.003,582 -0.036,583 -0.041,584 0.051,585 0.055,586 -0.037,587 -0.016,588 0.049,589 -0.064,590 -0.029,591 -0.056,592 -0.134,593 -0.152,594 -0.044,595 -0.173,596 -0.045,597 -0.039,598 -0.117,599 -0.13,600 -0.074,601 -0.113,602 -0.188,603 -0.034,604 -0.033,605 0.018,606 -0.204,607 0.035,608 5.755,609 6.52,610 0.559,611 31.675,612 1.036,613 1.141,614 4.537,615 20.587,616 0.669,617 3.638,618 4.078,619 4.344,620 4.71,621 5.063,622 5.293,623 5.521,624 5.628,625 5.749,626 5.883,627 6.182,628 0.657,629 497.55,630 3.638,631 5.252,632 6.129,633 7.076,634 7.99,635 8.942,636 9.874,637 10.829,638 11.771,639 12.728,640 1.8,645 1,650 2,651 6,656 6,657 1,658 16,669 1,670 57,671 19,672 2,673 37,675 60,676 24,677 14,678 6,679 6,681 4,682 7,685 2,688 3,689 1,690 1,691 5,693 15,694 9,695 1,696 3,697 1,698 3,701 1,705 4,707 23,708 8,709 1,710 10,711 1,714 1,717 0.5,718 4,727 1,730 1,731 3,734 2,739 1,746 1,748 2,750 1,752 2,754 4,756 34,757 1,759 1,760 4,764 2,766 1,772 4,773 7,775 1,776 3,779 19.5,780 10.805,781 7,782 3.45,785 3.241,786 1.391,787 0.976,788 6.227,789 11.523,790 3.892,791 4.593,792 5.158,793 5.847,794 6.491,795 6.948,796 7.446,797 7.814,798 8.155,799 8.539,800 1,801 62,802 13.571,803 6.948,804 8.525,805 23.229,806 20.318,807 3.025,808 102.833,812 258.964,813 125.429,814 1.899,816 112.141,817 59.84,818 6.046,819 119.383,820 371.105,821 61.74,822 16.016,823 10.138,824 62.903,825 113.051,826 69.581,827 19.861,828 258.964,829 7.76,830 258.964,831 121.282,832 171.982,833 6.046,835 238.611,836 192.335,839 28.622,840 92.66,841 6.046,843 318.805,844 114.04,845 125.429,847 6.046,848 266.724,849 38.75,850 74.772,852 171.982,853 258.964,854 173.881,855 125.429,857 0.613,858 0.336,859 0.185,860 0.118,861 30,862 16,863 0.083,864 5,865 2,866 1.211,867 3.971,868 351.728,869 0.211,870 19,871 162.219,873 1,874 24.6,875 8.606,876 4.584,877 0.642,878 171.982,879 6.744,884 0.004,885 1.69,886 42.683,887 558.274,888 48,889 -3.882,890 36.861,893 -1.022,895 59.025,896 65.012,897 0.308,898 0.668,899 0.832,900 0.891,901 0.903,902 0.903,903 5.209,904 1.956,905 6.225,906 6.306,907 4.762,908 5.281,909 3.858,910 7.18,911 4.643,912 6.503,913 1.721,914 7.886,915 5.441,916 4.796,917 5.545,918 4.06,919 8.538,920 4.51,921 7.895,922 1.485,923 9.659,924 4.899,925 6.564,926 7.661,927 6.026,928 11.617,929 6.297,930 9.323,931 1.278,932 11.494,933 4.258,934 7.321,935 8.678,936 6.762,937 13.722,938 6.886,939 10.782,940 1.15,941 13.368,942 3.737,943 8.705,944 10.413,945 8.446,946 16.431,947 8.263,948 12.265,949 1,950 15.269,951 2.982,952 9.746,953 11.746,954 9.418,955 18.816,956 9.17,957 13.766,958 0.63,959 17.188,960 2.275,961 11.014,962 13.363,963 10.974,964 21.418,965 10.403,966 3.563,967 -0.033,968 19.121,969 1.718,970 12.168,971 14.834,972 12.086,973 23.913,974 11.456,975 3.315,976 13.58,977 21.064,978 -0.089,979 13.404,980 16.416,981 13.562,982 26.488,983 12.643,984 3.218,985 11.721,986 23.016,987 4.967,988 14.604,989 17.947,990 14.762,991 29.03,992 13.766,993 2.765,994 11.656,995 24.974,996 4.441,997 15.835,998 19.523,999 16.187,1000 31.603,1001 14.944,1002 2.604,1003 9.241,1004 26.937,1005 3.854,1006 17.056,1007 21.083,1008 17.443,1009 34.168,1010 16.103,1011 2.248,1012 8.724,1013 28.905,1014 3.42,1015 18.29,1016 22.661,1017 18.835,1018 36.746,1019 17.285,1020 2.122,1021 6.984,1022 30.877,1023 3.252,1024 19.522,1025 24.235,1026 20.125,1027 39.323,1028 18.463,1029 12939,1030 26406,1031 22.887,1032 38.12,1033 58.746,1034 60.174,1035 60.776,1036 58.473,1037 58.11,1038 74.629,1039 19.275,1040 187.04,1041 54.657,1042 5.933,1043 7.191,1044 6.99,1045 5.551,1046 5.563,1047 7.967,1048 6.775,1049 21.636,1050 5.378,1051 24.183,1052 1.588,1053 1.626,1054 1.643,1055 1.58,1056 1.571,1057 2.017,1058 0.521,1059 5.055,1060 1.477,1061 4.245,1062 4.258,1063 4.744,1064 4.203,1065 8.513,1066 4.17,1067 3.948,1068 3.962,1069 4.109,1070 3.906,1071 8.201,1072 3.873,1073 3.885,1074 3.876,1075 3.881,1076 3.836,1077 7.999,1078 3.773,1079 3.658,1080 3.669,1081 3.615,1082 3.55,1083 7.999,1084 3.517,1085 3.507,1086 3.559,1087 3.46,1088 3.334,1089 7.716,1090 3.342,1091 3.452,1092 3.479,1093 3.363,1094 3.248,1095 7.474,1096 3.26,1097 3.239,1098 3.289,1099 3.2,1100 3.021,1101 6.999,1102 3.038,1103 3.11,1104 3.186,1105 2.964,1106 2.86,1107 6.351,1108 2.887,1109 0.135,1110 0.14,1111 0.202,1112 0.122,1113 0.096,1114 4.984,1115 0.134,1116 5.191,1117 0.103,1118 7.472,1119 0.367,1120 4.503,1121 0.091,1122 3.563,1123 4.967,1124 3.825,1125 13.58,1126 3.378,1127 2.02,1128 2.027,1129 2.082,1130 2.097,1131 1.452,1132 2.112,1133 1.952,1134 1.924,1135 2.055,1136 2.042,1137 1.318,1138 2.061,1139 1.863,1140 1.836,1141 1.939,1142 1.968,1143 1.176,1144 1.984,1145 1.569,1146 1.583,1147 1.707,1148 1.711,1149 0.952,1150 1.757,1151 1.469,1152 1.416,1153 1.64,1154 1.676,1155 0.878,1156 1.675,1157 1.383,1158 1.344,1159 1.578,1160 1.61,1161 0.826,1162 1.614,1163 1.077,1164 1.023,1165 1.324,1166 1.365,1167 0.56,1168 1.292,1169 1.001,1170 0.962,1171 1.23,1172 1.275,1173 0.392,1174 1.273,1175 4.317,1177 5.727,1178 2.398,1179 7.315,1180 4.949,1181 8.992,1182 7.273,1183 10.721,1185 2.68,1187 53.697,1189 9.476,1190 1.524,1194 -1.074,1196 -4.505,1199 37.449,1200 102.394,1201 221.945,1202 276.7,1203 296.21,1204 300.21,1205 300.21,1206 127.223,1207 8.281,1208 76.37,1209 84.75,1210 23,1211 13.216,1212 4.322,1213 3.585,1214 56.243,1215 118,1216 142,1217 0.227,1218 226.697,1219 409.45,1220 544.9,1221 42517,1222 7,1223 24.999,1224 0.735,1225 0.568,1226 21.879,1227 19.303,1228 15.786,1229 0.427,1230 0.341,1231 10.724,1232 14.266,1233 10.323,1234 8.426,1235 15.075,1236 12.631,1237 16.766,1238 0.289,1239 0.186,1240 15.531,1241 10.773,1242 12.114,1243 0.159,1244 0.1,1245 11.624,1246 7.579,1247 10.665,1248 0.097,1249 0.054,1250 10.407,1251 5.905,1252 9.503,1253 0.061,1254 0.03,1255 9.348,1256 4.742,1257 0.341,1258 109.428,1259 0.209,1260 30.254,1261 0.679,1262 190,1263 822.306,1264 255.316,1265 701.505,1266 898.84,1267 640,1268 229,1269 597.598,1270 292.987,1271 609.676,1272 912.71,1273 570,1274 5.365}
{0 CHEMBL132589,1 1.38,2 12.543,3 7.225,4 52.204,5 135.007,6 7.509,7 0.59,8 4.22,9 4.313,10 3.798,11 3.83,12 5.336,13 3.803,14 4.739,15 4.872,16 4.145,17 4.218,18 5.873,19 4.166,20 5.016,21 5.208,22 4.178,23 4.338,24 6.034,25 4.251,26 5.042,27 5.25,28 4.192,29 4.325,30 5.974,31 4.248,32 5.061,33 5.251,34 4.261,35 4.373,36 6.078,37 4.316,38 5.068,39 5.24,40 4.264,41 4.448,42 6.101,43 4.369,44 5.136,45 5.329,46 4.242,47 4.488,48 6.099,49 4.384,50 5.212,51 5.427,52 4.135,53 4.492,54 6.118,55 4.35,56 0.025,57 0.76,58 12.004,59 6.04,60 9.406,61 7.37,62 0.225,63 1.275,64 22.002,65 10.186,66 41.89,67 12.821,68 0.435,69 1.67,70 32.436,71 13.607,72 62.272,73 17.696,74 0.258,75 1.755,76 33.81,77 13.541,78 38.86,79 17.741,80 0.418,81 1.79,82 34.417,83 13.106,84 50.365,85 16.422,86 0.286,87 1.782,88 32.886,89 14.03,90 46.006,91 17.705,92 0.238,93 1.903,94 35.788,95 15.664,96 45.098,97 20.399,98 0.458,99 2.033,100 40.235,101 17.244,102 66.628,103 22.901,104 8,105 53,106 0.219,107 0.545,108 0.69,109 0.811,110 0.856,111 0.872,112 3.589,113 0.918,114 -6.34,115 -6.18,116 -5.73,118 48.4,120 4,121 1,124 1,129 1,130 1,133 14,134 3,135 1,137 1,142 1,145 1,147 1,150 1,153 1,154 24,157 1,158 6,159 1,160 1,164 27,166 1,167 12,168 1,171 19,175 16,180 15,181 2,184 13,189 2,192 24,193 2,196 10,200 2,202 34,203 2,206 6,210 2,211 37,212 1,214 2,215 4,219 1,222 33,223 2,226 2,230 2,233 25,234 2,236 2392,237 24.206,238 24.206,239 24.206,240 24.206,241 24.206,242 21.108,243 13.687,244 14.761,245 24.379,246 19.357,247 19.357,248 19.357,249 19.357,250 19.357,251 14.733,252 10.749,253 7.118,254 19.654,255 4.574,256 2.515,257 1.596,258 0.833,259 0.548,260 0.452,261 4.299,266 1,267 960,268 3.24,270 88.913,271 452.592,277 2.013,278 28.429,280 0.75,281 0.67,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.75,288 74.5,289 439,290 4.575,291 3.628,292 6.769,293 4.208,294 3.223,295 4.288,296 2.423,297 11.16,298 3.175,299 4.194,300 3.308,301 6.444,302 3.923,303 2.926,304 3.689,305 0.922,306 9.988,307 2.916,308 4.046,309 3.078,310 5.763,311 3.64,312 2.669,313 3.542,315 7.806,316 2.595,317 3.909,318 2.898,319 5.627,320 3.508,321 2.511,322 3.473,324 7.796,325 2.504,326 3.577,327 2.511,328 5.257,329 3.243,330 2.271,331 2.941,333 6.546,334 2.185,335 3.516,336 2.466,337 4.932,338 3.119,339 2.129,340 2.743,342 5.692,343 2.096,344 3.329,345 2.119,346 4.645,347 2.926,348 1.945,349 2.561,351 4.994,352 1.896,353 3.053,354 1.757,355 4.58,356 2.726,357 1.735,358 2.212,360 4.596,361 1.717,362 2.967,363 1.734,364 4,365 2.519,366 1.524,367 2.164,369 3.42,370 1.516,371 2.719,372 1.524,373 3.955,374 2.42,375 1.424,376 1.787,378 3.236,379 1.416,380 2.609,381 1.452,382 3.597,383 2.2,384 1.207,385 1.617,387 2.821,388 1.197,389 2.5,390 1.223,391 3.495,392 2.177,393 1.182,394 1.5,395 2.629,396 1.175,397 2.5,398 1.165,399 3.478,400 2,401 1,402 1.5,403 2.33,404 1,405 2.497,406 1,407 3.437,408 2,409 1,410 1.476,411 2.136,412 1,413 2.278,414 1,415 3.247,416 1.879,417 0.888,418 1.19,419 2.136,420 0.879,421 16.733,422 0.478,423 0.674,424 0.019,425 47,426 1.343,427 25.5,428 0.729,429 21.5,430 0.614,431 30.169,432 0.862,433 36.067,434 0.582,435 37.344,436 1.067,437 9.282,438 0.265,439 7.888,440 0.225,441 0.04,443 0.299,447 0.789,448 1.036,449 0.772,450 0.978,451 0.723,452 0.891,453 0.717,454 1.122,455 0.902,456 1.09,457 0.478,458 1.037,459 0.798,460 1.05,461 0.948,462 1.005,463 0.767,464 1.001,465 0.96,466 1.055,467 0.904,468 0.958,469 0.508,470 0.923,471 1.37,472 0.87,473 1.021,474 0.805,475 0.734,476 0.839,477 1.069,478 1.038,479 1.095,480 1.034,481 0.924,482 1.058,483 0.811,484 1.072,485 1.053,486 1.097,487 0.706,488 1.108,489 0.706,490 1.065,491 1.132,492 1.125,493 0.827,494 1.184,495 5.5,496 0.173,497 2.889,498 1.847,499 1.617,500 1.261,501 0.665,502 0.399,503 0.324,504 0.24,505 18094,506 47622,507 2.158,508 43.5,509 9,510 17,513 1,517 1.772,518 2.079,519 3.594,520 -0.458,525 85.571,526 1.38,527 3.439,528 4.358,529 5.121,530 5.406,531 5.503,532 3.084,533 4.272,534 5.097,535 3.79,536 2255.14,537 8.979,538 34939.2,542 369.16,543 1.15,544 5.086,545 0.141,546 0.005,547 0.055,548 0.035,549 0.03,550 0.021,551 0.011,552 0.007,553 0.007,554 0.006,555 0.317,556 0.17,557 0.63,558 0.822,559 188.361,560 -0.03,561 -0.012,562 0.045,563 0.016,564 -0.055,565 0.037,566 0.143,567 -0.109,568 -0.024,569 -0.104,570 0.184,571 -0.094,572 0.123,573 -0.06,574 0.009,575 -0.02,576 0.048,577 -0.024,578 -0.037,579 -0.031,580 0.071,581 0.011,582 0.014,583 0.049,584 -0.19,585 0.186,586 -0.035,587 0.145,588 -0.039,589 0.094,590 -0.138,591 -0.022,592 -0.167,593 -0.057,594 -0.091,595 -0.105,596 -0.062,597 -0.083,598 -0.126,599 -0.105,600 -0.049,601 -0.12,602 0.03,603 -0.097,604 -0.179,605 -0.127,606 -0.095,607 -0.176,608 2.653,609 3.859,610 0.829,611 38.524,612 0.998,613 1.109,614 5.111,615 26.126,616 0.689,617 3.689,618 3.989,619 4.263,620 4.564,621 4.828,622 4.934,623 5.136,624 5.293,625 5.429,626 5.497,627 7.499,628 0.657,629 465.58,630 3.689,631 5.22,632 6.066,633 6.94,634 7.81,635 8.696,636 9.579,637 10.472,638 11.362,639 12.26,640 1.6,647 1,651 14,652 1,654 1,656 7,658 23,668 1,670 62,671 25,672 3,673 39,675 66,676 30,677 21,678 4,679 14,680 2,681 5,682 5,688 3,689 1,691 4,693 24,694 6,695 1,696 2,698 1,699 1,701 2,707 27,708 5,709 1,710 5,714 1,717 1,718 4,721 1,730 1,731 4,739 1,741 1,742 1,746 1,748 5,756 35,759 1,760 5,762 1,764 1,773 6.5,775 1,776 1,778 2,779 16.833,780 10.983,781 7.722,782 3.844,785 3.635,786 1.44,787 0.988,788 7.107,789 11.893,790 3.98,791 4.551,792 5.116,793 5.707,794 6.241,795 6.534,796 6.989,797 7.398,798 7.783,799 8.076,800 1,801 53,802 12.948,803 5.528,804 7.695,805 24.959,806 20.772,807 2.195,808 76.833,812 306.049,813 188.995,814 16.786,816 88.336,819 188.995,820 394.384,821 16.786,823 14.731,824 142.144,825 90.544,826 41.25,827 5.449,828 306.049,830 306.049,831 205.781,832 88.336,835 306.049,836 88.336,839 22.507,840 157.012,841 26.262,843 306.049,844 105.121,845 188.995,848 306.049,849 46.852,850 142.144,852 105.121,853 306.049,854 105.121,855 188.995,857 0.569,858 0.322,859 0.183,860 0.108,861 25,862 10,863 0.121,864 8,866 1,867 4.573,868 340.032,870 29,871 171.525,874 23.134,875 10.752,876 5.552,878 105.121,879 27.934,880 5.014,882 6.482,884 5.996,886 42.683,887 600.165,888 52.5,890 10.859,891 2.258,893 0.146,895 61.898,896 68.734,897 0.232,898 0.578,899 0.732,900 0.86,901 0.908,902 0.924,903 5.197,904 1.735,905 6.023,906 4.994,907 4.673,908 5.239,909 2.502,910 6.812,911 4.643,912 6.383,913 1.524,914 7.556,915 4.596,916 4.111,917 4.832,918 2.243,919 7.662,920 4.067,921 7.669,922 1.424,923 9.194,924 3.42,925 6.229,926 7.369,927 3.836,928 10.802,929 6.171,930 8.991,931 1.207,932 10.898,933 3.236,934 6.538,935 7.825,936 4.238,937 12.553,938 6.465,939 10.347,940 1.182,941 12.646,942 2.821,943 8.081,944 9.786,945 5.437,946 15.193,947 7.999,948 11.728,949 1,950 14.427,951 2.629,952 8.813,953 10.676,954 6.111,955 17.311,956 8.715,957 13.13,958 1,959 16.231,960 2.33,961 10.112,962 12.368,963 7.138,964 19.784,965 10.006,966 3.223,967 0.888,968 18.053,969 2.136,970 11.056,971 13.499,972 7.928,973 22.057,974 10.935,975 2.926,976 11.16,977 19.889,978 2.136,979 12.253,980 15.057,981 8.878,982 24.474,983 12.123,984 2.669,985 9.988,986 21.736,987 4.288,988 13.301,989 16.324,990 9.719,991 26.814,992 13.156,993 2.511,994 7.806,995 23.592,996 3.689,997 14.46,998 17.817,999 10.635,1000 29.213,1001 14.303,1002 2.271,1003 7.796,1004 25.454,1005 3.542,1006 15.559,1007 19.162,1008 11.499,1009 31.583,1010 15.388,1011 2.129,1012 6.546,1013 27.323,1014 3.473,1015 16.707,1016 20.624,1017 12.399,1018 33.979,1019 16.522,1020 1.945,1021 5.692,1022 29.197,1023 2.941,1024 17.832,1025 22.013,1026 13.274,1027 36.364,1028 17.633,1029 17021,1030 27771,1031 26.929,1032 42.722,1033 58.825,1034 59.151,1035 58.754,1036 58.028,1037 58.045,1038 77.067,1039 6.69,1040 161.65,1041 57.122,1042 5.497,1043 5.628,1044 6.571,1045 5.24,1046 5.223,1047 7.288,1048 4.104,1049 18.336,1050 5.175,1051 12.014,1052 1.508,1053 1.517,1054 1.507,1055 1.488,1056 1.488,1057 1.976,1058 0.172,1059 4.145,1060 1.465,1061 4.084,1062 4.103,1063 4.045,1064 3.989,1065 7.474,1066 3.996,1067 3.942,1068 3.968,1069 3.878,1070 3.878,1071 6.351,1072 3.873,1073 3.842,1074 3.873,1075 3.769,1076 3.789,1077 5.153,1078 3.78,1079 3.821,1080 3.854,1081 3.738,1082 3.74,1083 4.833,1084 3.734,1085 3.58,1086 3.609,1087 3.506,1088 3.406,1089 4.721,1090 3.43,1091 3.53,1092 3.535,1093 3.455,1094 3.26,1095 4.689,1096 3.303,1097 3.231,1098 3.297,1099 3.069,1100 3.098,1101 4.361,1102 3.081,1103 3.039,1104 3.101,1105 2.899,1106 2.938,1107 4.259,1108 2.921,1109 0.117,1110 0.093,1111 0.174,1112 0.108,1113 0.083,1114 4.575,1115 0.11,1116 3.628,1117 0.062,1118 6.769,1119 0.286,1120 4.208,1121 0.081,1122 3.223,1123 4.288,1124 2.423,1125 11.16,1126 3.175,1127 1.965,1128 1.936,1129 2.11,1130 2.063,1131 1.454,1132 2.079,1133 1.942,1134 1.92,1135 2.045,1136 2.015,1137 1.136,1138 2.026,1139 1.861,1140 1.834,1141 1.988,1142 1.949,1143 1.133,1144 1.961,1145 1.821,1146 1.79,1147 1.969,1148 1.927,1149 1.045,1150 1.943,1151 1.392,1152 1.376,1153 1.598,1154 1.688,1155 0.83,1156 1.649,1157 1.277,1158 1.25,1159 1.529,1160 1.495,1161 0.693,1162 1.484,1163 1.262,1164 1.222,1165 1.428,1166 1.427,1167 0.619,1168 1.441,1169 1.234,1170 1.182,1171 1.364,1172 1.404,1173 0.483,1174 1.393,1175 4.369,1177 5.673,1178 2.398,1179 7.172,1180 4.727,1181 8.76,1182 6.862,1183 10.394,1189 8.905,1190 3.604,1192 5.381,1194 0.254,1199 40.729,1200 85.571,1201 213.2,1202 270.206,1203 317.509,1204 335.16,1205 341.16,1206 56.679,1207 8.258,1208 72.56,1209 72.56,1210 29,1211 12.786,1212 4.7,1213 3.858,1214 51.967,1215 154,1216 181,1217 0.161,1218 246.297,1219 434,1220 592.724,1221 48086,1223 24.037,1224 0.687,1225 0.554,1226 24.037,1227 19.392,1228 17.17,1229 0.44,1230 0.306,1231 11.822,1232 16.726,1233 11.588,1234 9.594,1235 17.17,1236 11.928,1237 15.169,1238 0.286,1239 0.165,1240 15.169,1241 8.75,1242 12.464,1243 0.178,1244 0.089,1245 12.464,1246 6.261,1247 10.729,1248 0.113,1249 0.049,1250 10.729,1251 4.63,1252 9.09,1253 0.073,1254 0.027,1255 9.09,1256 3.355,1257 0.251,1258 106.307,1259 0.193,1260 32.04,1261 0.444,1262 184,1263 513.001,1264 198.343,1265 495.959,1266 683.48,1267 466,1268 215,1269 506.211,1270 229.07,1271 512.108,1272 750.42,1273 484,1274 6}
{0 CHEMBL133910,1 1.323,2 15,3 3.051,4 9.311,5 122.675,6 5.981,8 4.29,9 4.427,10 3.755,11 3.827,12 5.187,13 3.695,14 4.903,15 5.105,16 3.969,17 4.23,18 5.86,19 4.054,20 5.288,21 5.554,22 3.994,23 4.365,24 6.17,25 4.162,26 5.305,27 5.583,28 3.955,29 4.345,30 6.23,31 4.129,32 5.25,33 5.53,34 3.881,35 4.276,36 6.163,37 4.076,38 5.197,39 5.467,40 3.857,41 4.223,42 6.151,43 4.04,44 5.193,45 5.471,46 3.756,47 4.207,48 6.093,49 3.997,50 5.154,51 5.448,52 3.705,53 4.169,54 5.943,55 3.938,56 0.152,57 0.928,58 21.845,59 8.772,60 24.645,61 10.818,62 0.309,63 1.494,64 36.614,65 14.638,66 52.215,67 18.196,68 0.522,69 1.824,70 49.77,71 17.579,72 85.301,73 22.905,74 0.645,75 1.806,76 50.294,77 17.522,78 107.667,79 22.888,80 0.524,81 1.696,82 46.968,83 16.173,84 96.049,85 21.465,86 0.579,87 1.613,88 43.008,89 14.82,90 100.399,91 20.378,92 0.601,93 1.594,94 43.223,95 14.935,96 95.583,97 20.288,98 0.446,99 1.531,100 41.159,101 14.604,102 71.225,103 19.641,104 81,105 37,106 0.212,107 0.455,108 0.718,109 0.862,110 0.902,111 0.916,112 3.406,113 1.398,114 -4.09,115 -4.04,116 -3.82,118 31.9,119 2,120 10,121 2,124 2,125 3,129 4,150 1,153 1,154 14,160 1,162 6,164 14,165 2,167 2,170 8,171 12,172 2,175 2,178 1,179 8,180 12,181 2,184 2,189 7,192 11,193 1,196 1,199 1,200 7,202 13,203 1,206 1,209 1,210 6,211 12,212 1,215 1,219 5,222 10,223 1,226 1,230 4,231 1,233 9,234 2,236 1738,237 19.018,238 19.018,239 19.018,240 19.018,241 19.018,242 18.421,243 12.491,244 11.932,245 19.125,246 14.231,247 14.231,248 14.231,249 14.231,250 14.231,251 13.235,252 12.336,253 5.575,254 14.447,255 4.847,256 3.337,257 1.698,258 0.799,259 0.549,260 0.465,261 4.054,266 1,267 848,268 5.099,270 104.629,277 2.414,278 43.427,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 62.667,289 435,290 4.445,291 3.336,292 6.703,293 4.184,294 3.184,295 3.781,296 0.765,297 10.865,298 3.184,299 4.172,300 3.185,301 6.682,302 4.13,303 3.148,304 3.21,306 10.723,307 3.088,308 3.503,309 2.813,310 5.354,311 3.336,312 2.374,313 2.573,315 6.314,316 2.275,317 3.216,318 2.38,319 5.027,320 3.006,321 2.044,322 2.277,324 5.958,325 1.962,326 2.991,327 2.143,328 4.661,329 2.787,330 1.804,331 1.991,333 4.755,334 1.769,335 2.747,336 1.905,337 3.923,338 2.637,339 1.65,340 1.73,342 3.566,343 1.625,344 2.575,345 1.646,346 3.73,347 2.557,348 1.572,349 1.574,351 3.088,352 1.543,353 2.492,354 1.516,355 3.612,356 2.46,357 1.461,358 1.485,360 2.796,361 1.458,362 2.324,363 1.437,364 3.422,365 2.144,366 1.159,367 1.266,369 2.462,370 1.138,371 2.16,372 0.961,373 3.199,374 1.845,375 0.852,376 1,378 1.802,379 0.845,380 1.645,381 0.767,382 2.946,383 1.581,384 0.604,385 0.623,387 1.115,388 0.587,389 1.422,390 0.58,391 2.665,392 1.316,393 0.323,394 0.341,395 0.631,396 0.32,397 1.299,398 0.236,399 2.557,400 1.182,401 0.187,402 0.198,403 0.311,404 0.186,405 1.006,406 0.146,407 2.374,408 0.78,409 -0.199,410 -0.217,411 -0.429,412 -0.194,413 0.62,414 -0.072,415 2.284,416 0.552,417 -0.417,418 -0.432,419 -0.727,420 -0.399,421 14.167,422 0.489,423 0.697,424 0.024,425 19.25,426 0.664,427 3.5,428 0.121,429 15.75,430 0.543,431 40.266,432 1.388,433 36.833,434 0.512,435 12.613,436 0.435,437 2.331,438 0.08,439 11.472,440 0.396,441 0.188,442 0.071,443 0.176,447 1.021,448 1.364,449 1.114,450 1.438,451 0.995,452 1.284,453 0.688,454 1.452,455 1.283,456 1.548,457 0.692,458 1.357,459 1.111,460 1.071,461 1.071,462 1.068,463 1.143,464 1.054,465 1.032,466 0.997,467 1.028,468 1.009,469 1.044,470 0.998,471 1.11,472 0.976,473 1.007,474 0.977,475 1.102,476 0.964,477 1.064,478 1.007,479 0.896,480 0.86,481 1.056,482 1.003,483 1.058,484 0.992,485 0.979,486 0.907,487 1.005,488 1.025,489 0.953,490 0.94,491 0.887,492 0.842,493 0.932,494 0.959,495 6,496 0.229,497 3.111,498 2.264,499 1.05,500 0.747,501 0.534,502 0.3,503 0.26,504 0.3,505 10792,506 23243,507 1.858,508 59.7,509 18,510 11,513 4,515 8,516 2,517 1.716,518 1.714,519 3.796,520 1.595,525 95.254,526 1.323,527 2.833,528 4.472,529 5.371,530 5.621,531 5.705,532 3.345,533 4.651,534 4.822,535 4.012,536 1628.8,537 8.384,538 24549.5,542 444.235,543 1.573,544 4.758,545 0.207,546 0.008,547 0.084,548 0.063,549 0.031,550 0.023,551 0.017,552 0.011,553 0.01,554 0.011,555 0.464,556 0.17,557 0.88,558 3.028,559 153.22,560 -0.173,561 0.082,562 0.137,563 0.074,564 -0.168,565 0.054,566 0.099,567 -0.189,568 -0.111,569 -0.188,570 0.096,571 -0.154,572 -0.069,573 -0.045,574 -0.055,575 -0.04,576 -0.084,577 -0.039,578 -0.002,579 -0.005,580 -0.024,581 -0.008,582 -0.01,583 -0.009,584 -0.062,585 0.007,586 -0.025,587 -0.011,588 -0.045,589 0.017,590 -0.001,591 -0.022,592 -0.01,593 -0.01,594 0.005,595 -0.019,596 -0.023,597 -0.016,598 -0.064,599 -0.019,600 -0.02,601 -0.048,602 -0.06,603 0.019,604 0.008,605 0.042,606 -0.064,607 0.01,608 3.781,609 4.989,610 0.172,611 38.338,612 0.987,613 1.138,614 2.864,615 8.202,616 0.607,617 3.401,618 3.638,619 3.738,620 3.871,621 3.892,622 3.829,623 3.807,624 3.807,625 3.829,626 3.871,627 8.461,628 0.543,629 430.63,630 3.401,631 4.89,632 5.666,633 6.503,634 7.309,635 8.157,636 8.979,637 9.834,638 10.667,639 11.528,670 72,671 3,673 29,675 72,676 23,681 1,682 1,685 2,688 3,689 2,691 13,693 4,694 19,695 2,696 3,698 1,699 4,702 1,707 43,708 5,709 4,710 6,711 1,717 1,718 5,719 3,724 1,730 1,741 4,746 4,748 1,752 2,756 29,759 4,760 12,764 5,773 6.9,774 4,776 1,779 16.917,780 12.167,781 6.833,782 5.001,783 1,785 0.864,786 1.132,787 0.83,788 13.337,789 7.421,790 3.497,791 3.807,792 3.951,793 4.159,794 4.304,795 4.431,796 4.511,797 4.585,798 4.673,799 4.779,800 1,801 36,802 11.089,803 4.747,804 7.861,805 21.496,806 18.035,807 2.361,808 68.472,812 465.136,813 80.901,816 185.445,818 6.063,819 80.901,820 644.518,822 17.65,823 31.408,824 203.087,825 20.263,828 459.073,830 459.073,831 80.901,832 185.445,833 6.063,835 341.362,836 137.974,837 165.182,839 42.996,841 43.968,843 459.073,844 185.445,845 80.901,846 6.063,847 6.063,848 459.073,849 25.345,850 55.555,852 185.445,853 459.073,854 185.445,855 86.963,857 0.553,858 0.297,859 0.148,860 0.078,861 11,862 7,863 0.208,864 15,866 1,867 4.097,868 210.038,870 5,871 140.881,874 26.593,875 14.544,876 10.944,878 185.445,886 165.182,887 731.481,888 32,890 11.989,891 7.676,894 -2.975,895 71.05,896 81.905,897 0.214,898 0.459,899 0.725,900 0.871,901 0.911,902 0.925,903 4.727,904 1.461,905 5.652,906 3.088,907 4.317,908 4.489,909 0.775,910 6.422,911 4.285,912 5.852,913 1.159,914 7.197,915 2.796,916 4.007,917 4.29,919 7.591,920 3.94,921 7.124,922 0.852,923 8.864,924 2.462,925 5.916,926 6.315,927 0.521,928 10.534,929 5.861,930 8.437,931 0.604,932 10.607,933 1.802,934 6.463,935 6.995,937 12.528,938 6.386,939 9.794,940 0.323,941 12.399,942 1.115,943 7.877,944 8.541,945 0.336,946 15.073,947 7.806,948 11.179,949 0.187,950 14.223,951 0.631,952 8.79,953 9.593,955 17.328,956 8.706,957 12.587,958 -0.199,959 16.069,960 0.311,961 10.031,962 10.98,963 0.21,964 19.761,965 9.948,966 3.184,967 -0.417,968 17.929,969 -0.429,970 11.091,971 12.185,973 22.099,974 10.999,975 3.148,976 10.865,977 19.8,978 -0.727,979 12.273,980 13.521,981 0.128,982 24.497,983 12.178,984 2.374,985 10.723,986 21.678,987 3.781,988 13.389,989 14.789,991 26.862,992 13.287,993 2.044,994 6.314,995 23.562,996 3.21,997 14.55,998 16.11,999 0.077,1000 29.248,1001 14.443,1002 1.804,1003 5.958,1004 25.45,1005 2.573,1006 15.688,1007 17.407,1009 31.623,1010 15.575,1011 1.65,1012 4.755,1013 27.341,1014 2.277,1015 16.843,1016 18.725,1017 0.046,1018 34.004,1019 16.725,1020 1.572,1021 3.566,1022 29.234,1023 1.991,1024 17.99,1025 20.035,1027 36.382,1028 17.865,1029 11408,1030 16826,1031 17.97,1032 43.705,1033 41.297,1034 41.058,1035 42.616,1036 40.868,1037 40.726,1038 44.098,1039 1.529,1040 108.774,1041 39.961,1042 5.369,1043 5.228,1044 6.614,1045 5.172,1046 5.172,1047 6.171,1048 1.529,1049 17.631,1050 5.172,1051 19.45,1052 1.424,1053 1.416,1054 1.47,1055 1.409,1056 1.404,1057 1.521,1058 0.053,1059 3.751,1060 1.378,1061 3.982,1062 4.019,1063 4.466,1064 4.078,1065 7.423,1066 3.877,1067 3.866,1068 3.901,1069 3.871,1070 3.867,1071 6.465,1072 3.772,1073 3.758,1074 3.816,1075 3.61,1076 3.634,1077 6.449,1078 3.619,1079 3.645,1080 3.706,1081 3.512,1082 3.541,1083 6.434,1084 3.516,1085 3.536,1086 3.596,1087 3.38,1088 3.413,1089 6.343,1090 3.38,1091 3.485,1092 3.542,1093 3.36,1094 3.374,1095 4.43,1096 3.328,1097 3.235,1098 3.309,1099 3.078,1100 3.097,1101 4.288,1102 3.052,1103 3.219,1104 3.297,1105 3.018,1106 3.06,1107 4.161,1108 3.033,1109 0.153,1110 0.115,1111 0.231,1112 0.144,1113 0.11,1114 4.445,1115 0.13,1116 3.336,1117 0.026,1118 6.703,1119 0.375,1120 4.184,1121 0.11,1122 3.184,1123 3.781,1124 0.765,1125 10.865,1126 3.184,1127 1.869,1128 1.83,1129 2.037,1130 1.971,1131 1.424,1132 2.015,1133 1.821,1134 1.781,1135 2.002,1136 1.929,1137 1.366,1138 1.985,1139 1.748,1140 1.695,1141 1.958,1142 1.878,1143 1.322,1144 1.926,1145 1.653,1146 1.598,1147 1.89,1148 1.816,1149 1.2,1150 1.845,1151 1.583,1152 1.526,1153 1.813,1154 1.767,1155 1.15,1156 1.793,1157 1.486,1158 1.43,1159 1.745,1160 1.679,1161 1.016,1162 1.71,1163 1.419,1164 1.361,1165 1.605,1166 1.555,1167 0.921,1168 1.632,1169 1.216,1170 1.138,1171 1.527,1172 1.419,1173 0.738,1174 1.471,1175 4.078,1177 5.333,1178 2.398,1179 6.753,1180 4.844,1181 8.259,1182 6.986,1183 9.818,1185 4.151,1189 40.549,1190 8.92,1194 -1.838,1199 39.087,1200 95.254,1201 203.955,1202 321.97,1203 386.725,1204 404.725,1205 410.725,1206 174.206,1207 6.557,1208 97.99,1209 107.8,1210 5,1211 12.085,1212 2,1213 2,1214 92.356,1215 142,1216 159,1217 0.302,1218 252.056,1219 452.6,1220 606.777,1221 5968,1223 21.7,1224 0.748,1225 0.663,1226 21.95,1227 19.22,1228 13.803,1229 0.476,1230 0.466,1231 11.592,1232 12.703,1233 11.116,1234 9.311,1235 14.656,1236 13.517,1237 11.917,1238 0.322,1239 0.301,1240 13.249,1241 11.143,1242 8.397,1243 0.205,1244 0.193,1245 9.25,1246 7.919,1247 6.259,1248 0.133,1249 0.122,1250 6.951,1251 5.718,1252 4.409,1253 0.092,1254 0.077,1255 4.95,1256 3.72,1257 0.496,1258 93.231,1259 0.236,1260 28.629,1261 0.771,1262 132,1263 323.947,1264 172.981,1265 319.258,1266 404.19,1267 292,1268 144,1269 242.008,1270 189.404,1271 266.589,1272 381.78,1273 251,1274 5.174}
{0 CHEMBL133945,1 1.348,2 13.481,3 2.071,4 4.291,5 113.55,6 6.1,8 4.208,9 4.342,10 3.699,11 3.747,12 5.127,13 3.616,14 4.815,15 5.012,16 3.917,17 4.149,18 5.805,19 3.978,20 5.201,21 5.46,22 3.914,23 4.274,24 6.131,25 4.085,26 5.219,27 5.492,28 3.814,29 4.233,30 6.176,31 4.035,32 5.147,33 5.435,34 3.746,35 4.16,36 6.011,37 3.961,38 5.07,39 5.344,40 3.781,41 4.114,42 6.011,43 3.933,44 5.08,45 5.347,46 3.69,47 4.103,48 6.028,49 3.903,50 5.054,51 5.341,52 3.638,53 4.072,54 5.87,55 3.847,56 0.146,57 0.852,58 20.21,59 8.092,60 26.504,61 9.833,62 0.29,63 1.369,64 33.968,65 13.528,66 55.246,67 16.578,68 0.511,69 1.666,70 46.362,71 16.033,72 93.547,73 20.853,74 0.649,75 1.634,76 44.917,77 15.281,78 115.124,79 20.736,80 0.445,81 1.522,82 40.657,83 14.168,84 84.199,85 19.484,86 0.476,87 1.439,88 38.098,89 13.349,90 87.226,91 18.265,92 0.584,93 1.426,94 39.442,95 13.405,96 98.312,97 18.041,98 0.434,99 1.382,100 37.974,101 13.266,102 74.09,103 17.693,104 79,105 35,106 0.221,107 0.479,108 0.753,109 0.896,110 0.916,111 0.916,112 3.338,113 1.391,114 -3.66,115 -3.63,116 -3.46,118 31.8,119 2,120 8,121 2,124 2,125 3,129 4,150 1,153 1,154 12,160 1,162 6,164 13,165 2,167 2,170 8,171 12,172 1,175 1,178 1,179 7,180 12,181 1,184 1,189 6,192 10,193 1,196 1,199 1,200 7,202 11,203 1,206 1,209 1,210 6,211 10,212 1,215 1,219 5,222 8,223 1,226 1,230 4,231 1,233 7,234 2,236 1441,237 17.604,238 17.604,239 17.604,240 17.604,241 17.604,242 17.007,243 12.491,244 10.752,245 17.711,246 13.171,247 13.171,248 13.171,249 13.171,250 13.171,251 12.158,252 12.336,253 4.976,254 13.386,255 4.697,256 3.119,257 1.444,258 0.568,259 0.447,260 0.447,261 3.983,265 1,266 1,267 706,268 4.899,270 95.754,277 2.425,278 41.651,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 58.667,289 364,290 4.439,291 3.336,292 6.688,293 4.174,294 3.174,295 3.776,296 0.765,297 10.76,298 3.174,299 4.172,300 3.175,301 6.682,302 4.13,303 3.148,304 3.21,306 10.723,307 3.088,308 3.503,309 2.813,310 5.354,311 3.336,312 2.374,313 2.573,315 6.314,316 2.275,317 3.216,318 2.38,319 5.027,320 3.005,321 2.044,322 2.276,324 5.958,325 1.962,326 2.991,327 2.142,328 4.661,329 2.785,330 1.802,331 1.991,333 4.755,334 1.766,335 2.747,336 1.905,337 3.878,338 2.634,339 1.646,340 1.73,342 3.552,343 1.622,344 2.574,345 1.646,346 3.666,347 2.553,348 1.569,349 1.573,351 3.086,352 1.538,353 2.339,354 1.49,355 3.572,356 2.16,357 1.175,358 1.284,360 2.555,361 1.154,362 2.165,363 0.973,364 3.331,365 1.851,366 0.858,367 1.006,369 1.824,370 0.851,371 1.647,372 0.777,373 3.046,374 1.598,375 0.618,376 0.631,378 1.13,379 0.603,380 1.526,381 0.611,382 2.769,383 1.434,384 0.441,385 0.463,387 0.707,388 0.437,389 1.402,390 0.367,391 2.598,392 1.22,393 0.228,394 0.249,395 0.406,396 0.226,397 1.006,398 0.152,399 2.375,400 0.779,401 -0.201,402 -0.219,403 -0.432,404 -0.195,405 0.619,406 -0.072,407 2.285,408 0.551,409 -0.417,410 -0.432,411 -0.728,412 -0.399,413 0.527,414 -0.261,415 2,416 0.331,417 -0.562,418 -0.566,419 -1.304,420 -0.491,421 13.167,422 0.488,423 0.697,424 0.026,425 18.25,426 0.676,427 3.5,428 0.13,429 14.75,430 0.546,431 36.191,432 1.34,433 34.233,434 0.519,435 12.122,436 0.449,437 2.331,438 0.086,439 10.472,440 0.388,441 0.203,442 0.076,443 0.19,447 1.023,448 1.352,449 1.096,450 1.434,451 1,452 1.266,453 0.689,454 1.448,455 1.278,456 1.554,457 0.699,458 1.345,459 1.122,460 1.085,461 1.108,462 1.106,463 1.141,464 1.066,465 1.065,466 0.978,467 0.958,468 0.876,469 1.071,470 1.013,471 0.907,472 0.933,473 0.811,474 0.791,475 0.878,476 0.93,477 0.838,478 1.014,479 0.811,480 0.857,481 0.799,482 0.979,483 1.1,484 1.01,485 1.005,486 0.92,487 1.045,488 1.048,489 0.976,490 0.947,491 0.897,492 0.843,493 0.953,494 0.97,495 6,496 0.229,497 3.111,498 2.014,499 0.89,500 0.747,501 0.534,502 0.3,503 0.26,504 0.3,505 8618,506 20113,507 1.848,508 59.1,509 13,510 11,513 4,515 9,516 2,517 1.698,518 1.696,519 3.651,520 1.661,522 1,525 88.951,526 1.348,527 2.926,528 4.601,529 5.476,530 5.597,531 5.597,532 3.204,533 4.533,534 4.718,535 3.888,536 1364.63,537 8.181,538 19257.8,542 398.93,543 1.623,544 4.648,545 0.222,546 0.008,547 0.089,548 0.059,549 0.03,550 0.026,551 0.018,552 0.012,553 0.011,554 0.012,555 0.486,556 0.17,557 0.88,558 2.804,559 138.671,560 -0.179,561 0.089,562 0.142,563 0.078,564 -0.176,565 0.059,566 0.099,567 -0.183,568 -0.108,569 -0.185,570 0.091,571 -0.146,572 -0.076,573 -0.057,574 -0.092,575 -0.076,576 -0.078,577 -0.052,578 -0.037,579 -0.005,580 -0.061,581 -0.01,582 -0.038,583 -0.039,584 -0.041,585 0.024,586 0.03,587 0.032,588 -0.034,589 0.04,590 0.054,591 -0.025,592 0.046,593 -0.007,594 0.057,595 0.014,596 -0.038,597 -0.027,598 -0.086,599 -0.03,600 -0.034,601 -0.068,602 -0.07,603 0.012,604 -0.003,605 0.038,606 -0.073,608 3.745,609 4.599,610 0.185,611 33.846,612 0.989,613 1.137,614 2.43,615 5.906,616 0.609,617 3.332,618 3.584,619 3.689,620 3.784,621 3.807,622 3.784,623 3.761,624 3.761,625 3.784,626 3.829,627 7.843,628 0.546,629 402.57,630 3.332,631 4.828,632 5.609,633 6.447,634 7.256,635 8.105,636 8.929,637 9.785,638 10.62,639 11.481,670 66,671 3,673 27,675 66,676 21,681 1,682 1,685 2,688 3,689 2,691 11,693 4,694 17,695 2,696 3,698 1,699 4,702 1,707 39,708 5,709 4,710 6,711 1,717 1,718 5,719 3,724 1,730 1,741 4,746 4,748 1,752 2,756 27,759 4,760 10,764 5,773 7.6,774 4,776 1,779 15.917,780 11.167,781 6.333,782 4.501,783 1,785 0.856,786 1.133,787 0.824,788 11.758,789 7.281,790 3.434,791 3.761,792 3.912,793 4.078,794 4.234,795 4.407,796 4.489,797 4.554,798 4.635,799 4.745,800 1,801 34,802 10.312,803 4.438,804 7.925,805 19.863,806 16.702,807 2.425,808 65.472,812 418.051,813 75.832,816 185.445,818 6.063,819 75.832,820 597.434,822 17.65,823 26.339,824 203.087,825 20.263,828 411.989,830 411.989,831 75.832,832 185.445,833 6.063,835 282.506,836 149.745,837 165.182,839 37.927,841 43.968,843 411.989,844 185.445,845 75.832,846 6.063,847 6.063,848 411.989,849 20.276,850 55.555,852 185.445,853 411.989,854 185.445,855 81.894,857 0.561,858 0.306,859 0.14,860 0.07,861 11,862 7,863 0.197,864 13,866 1,867 3.884,868 191.675,870 5,871 128.382,874 24.596,875 12.907,876 9.541,878 185.445,886 165.182,887 679.328,888 30,890 11.599,891 7.632,894 -2.939,895 65.283,896 75.075,897 0.223,898 0.484,899 0.761,900 0.906,901 0.926,902 0.926,903 4.673,904 1.175,905 5.609,906 3.086,907 4.263,908 4.443,909 0.775,910 6.389,911 4.228,912 5.811,913 0.858,914 7.166,915 2.555,916 4.007,917 4.29,919 7.591,920 3.94,921 7.093,922 0.618,923 8.843,924 1.824,925 5.883,926 6.293,927 0.521,928 10.509,929 5.826,930 8.414,931 0.441,932 10.592,933 1.13,934 6.463,935 6.995,937 12.509,938 6.386,939 9.777,940 0.228,941 12.387,942 0.707,943 7.857,944 8.53,945 0.336,946 15.042,947 7.785,948 11.167,949 -0.201,950 14.213,951 0.406,952 8.783,953 9.588,955 17.294,956 8.699,957 12.576,958 -0.417,959 16.059,960 -0.432,961 10.015,962 10.971,963 0.21,964 19.721,965 9.931,966 3.174,967 -0.562,968 17.919,969 -0.728,970 11.079,971 12.176,973 22.054,974 10.986,975 3.148,976 10.76,977 19.789,978 -1.304,979 12.256,980 13.509,981 0.128,982 24.446,983 12.159,984 2.374,985 10.723,986 21.666,987 3.776,988 13.372,989 14.777,991 26.806,992 13.268,993 2.044,994 6.314,995 23.549,996 3.21,997 14.53,998 16.096,999 0.077,1000 29.187,1001 14.422,1002 1.802,1003 5.958,1004 25.436,1005 2.573,1006 15.667,1007 17.391,1009 31.556,1010 15.552,1011 1.646,1012 4.755,1013 27.326,1014 2.276,1015 16.82,1016 18.708,1017 0.046,1018 33.932,1019 16.699,1020 1.569,1021 3.552,1022 29.218,1023 1.991,1024 17.965,1025 20.017,1027 36.304,1028 17.837,1029 9164,1030 14078,1031 16.583,1032 40.182,1033 38.775,1034 38.517,1035 40.323,1036 38.293,1037 38.155,1038 41.524,1039 1.529,1040 103.538,1041 37.39,1042 5.356,1043 5.214,1044 6.599,1045 5.159,1046 5.159,1047 6.166,1048 1.529,1049 17.525,1050 5.159,1051 18.513,1052 1.436,1053 1.427,1054 1.493,1055 1.418,1056 1.413,1057 1.538,1058 0.057,1059 3.835,1060 1.385,1061 3.979,1062 4.016,1063 4.464,1064 4.07,1065 7.423,1066 3.875,1067 3.847,1068 3.881,1069 3.87,1070 3.867,1071 6.465,1072 3.754,1073 3.757,1074 3.816,1075 3.61,1076 3.633,1077 6.449,1078 3.617,1079 3.614,1080 3.665,1081 3.511,1082 3.534,1083 6.434,1084 3.494,1085 3.527,1086 3.586,1087 3.366,1088 3.383,1089 6.343,1090 3.369,1091 3.306,1092 3.387,1093 3.1,1094 3.148,1095 4.429,1096 3.123,1097 3.222,1098 3.301,1099 3.019,1100 3.062,1101 4.288,1102 3.039,1103 3.084,1104 3.154,1105 2.932,1106 2.931,1107 4.158,1108 2.856,1109 0.164,1110 0.124,1111 0.248,1112 0.155,1113 0.118,1114 4.439,1115 0.14,1116 3.336,1117 0.028,1118 6.688,1119 0.399,1120 4.174,1121 0.118,1122 3.174,1123 3.776,1124 0.765,1125 10.76,1126 3.174,1127 1.859,1128 1.82,1129 2.037,1130 1.971,1131 1.392,1132 2.005,1133 1.813,1134 1.773,1135 1.999,1136 1.924,1137 1.361,1138 1.978,1139 1.738,1140 1.687,1141 1.9,1142 1.843,1143 1.315,1144 1.908,1145 1.636,1146 1.586,1147 1.83,1148 1.793,1149 1.154,1150 1.823,1151 1.533,1152 1.482,1153 1.776,1154 1.71,1155 1.066,1156 1.747,1157 1.458,1158 1.396,1159 1.742,1160 1.659,1161 1.013,1162 1.692,1163 1.282,1164 1.204,1165 1.579,1166 1.479,1167 0.778,1168 1.526,1169 1.146,1170 1.069,1171 1.445,1172 1.372,1173 0.652,1174 1.413,1175 4.007,1177 5.273,1178 2.398,1179 6.706,1180 4.844,1181 8.218,1182 6.986,1183 9.779,1185 3.862,1189 40.099,1190 7.053,1194 -1.833,1199 36.034,1200 88.951,1201 193.085,1202 303.646,1203 361.42,1204 369.42,1205 369.42,1206 152.401,1207 6.425,1208 97.99,1209 107.8,1210 5,1211 12.037,1212 2,1213 2,1214 81.831,1215 121,1216 140,1217 0.314,1218 232.872,1219 418,1220 559.967,1221 4881,1223 20.286,1224 0.751,1225 0.659,1226 20.536,1227 17.806,1228 12.803,1229 0.474,1230 0.464,1231 10.592,1232 11.651,1233 10.139,1234 8.462,1235 13.656,1236 12.517,1237 11.167,1238 0.319,1239 0.302,1240 12.551,1241 10.567,1242 8.147,1243 0.209,1244 0.193,1245 9.052,1246 7.525,1247 5.655,1248 0.132,1249 0.108,1250 6.045,1251 4.641,1252 3.879,1253 0.088,1254 0.065,1255 4.154,1256 2.84,1257 0.511,1258 87.231,1259 0.246,1260 26.851,1261 0.812,1262 124,1263 315.947,1264 164.981,1265 310.808,1266 392.61,1267 284,1268 136,1269 234.008,1270 179.825,1271 257.969,1272 369.49,1273 243,1274 5.387}
{0 CHEMBL134546,1 1.376,2 12.64,3 1.517,4 2.301,5 103.905,6 6.242,8 4.118,9 4.249,10 3.601,11 3.643,12 5.062,13 3.526,14 4.721,15 4.912,16 3.771,17 4.027,18 5.735,19 3.875,20 5.092,21 5.358,22 3.784,23 4.157,24 5.97,25 3.971,26 5.096,27 5.372,28 3.735,29 4.126,30 6.037,31 3.927,32 5.028,33 5.306,34 3.679,35 4.05,36 5.937,37 3.864,38 4.96,39 5.225,40 3.719,41 4.011,42 5.94,43 3.841,44 4.989,45 5.25,46 3.624,47 4.011,48 5.966,49 3.818,50 4.979,51 5.268,52 3.567,53 3.981,54 5.811,55 3.757,56 0.144,57 0.77,58 18.477,59 7.243,60 26.791,61 8.813,62 0.286,63 1.225,64 29.115,65 11.538,66 60.169,67 14.799,68 0.428,69 1.493,70 39.928,71 14.018,72 81.843,73 18.856,74 0.548,75 1.46,76 40.088,77 13.819,78 100.88,79 18.637,80 0.427,81 1.354,82 36.846,83 12.637,84 84.586,85 17.233,86 0.455,87 1.291,88 34.732,89 12.002,90 87.408,91 16.287,92 0.576,93 1.296,94 36.718,95 12.258,96 100.255,97 16.351,98 0.437,99 1.263,100 35.858,101 12.242,102 78.361,103 16.22,104 65,105 31,106 0.23,107 0.513,108 0.769,109 0.902,110 0.925,111 0.925,112 3.265,113 1.333,114 -3.21,115 -3.2,116 -3.07,118 31.7,119 1,120 8,121 2,124 1,125 3,129 4,150 1,153 1,154 12,160 1,162 6,164 13,165 1,167 1,170 7,171 12,172 1,175 1,178 1,179 7,180 11,181 1,184 1,189 6,192 9,193 1,196 1,199 1,200 7,202 10,203 1,206 1,209 1,210 6,211 9,212 1,215 1,219 5,222 7,223 1,226 1,230 4,231 1,233 6,234 2,236 1176,237 16.441,238 16.441,239 16.441,240 16.441,241 16.441,242 15.82,243 12.491,244 10.401,245 16.548,246 12.304,247 12.304,248 12.304,249 12.304,250 12.304,251 11.347,252 12.336,253 4.94,254 12.519,255 4.531,256 2.841,257 1.309,258 0.513,259 0.379,260 0.379,261 3.91,265 1,266 1,267 612,268 4.472,270 87.064,277 2.266,278 37.853,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 54.667,289 316,290 4.172,291 3.336,292 6.682,293 4.13,294 3.148,295 3.21,296 0.765,297 10.723,298 3.088,299 3.552,300 2.813,301 5.354,302 3.336,303 2.374,304 2.713,306 6.314,307 2.275,308 3.503,309 2.382,310 5.027,311 3.236,312 2.236,313 2.572,315 5.958,316 2.235,317 3.209,318 2.266,319 4.663,320 3.002,321 2.041,322 2.269,324 5.184,325 1.956,326 2.989,327 2.097,328 4.657,329 2.76,330 1.78,331 1.989,333 4.755,334 1.741,335 2.746,336 1.882,337 3.799,338 2.618,339 1.628,340 1.727,342 3.45,343 1.608,344 2.572,345 1.644,346 3.621,347 2.538,348 1.555,349 1.57,351 3.08,352 1.523,353 2.311,354 1.458,355 3.417,356 2.107,357 1.123,358 1.239,360 2.418,361 1.101,362 2.15,363 0.934,364 3.112,365 1.832,366 0.836,367 0.983,369 1.735,370 0.832,371 1.644,372 0.749,373 2.74,374 1.563,375 0.588,376 0.616,378 1.076,379 0.57,380 1.411,381 0.53,382 2.505,383 1.239,384 0.249,385 0.273,387 0.52,388 0.246,389 1.006,390 0.154,391 2.335,392 0.776,393 -0.203,394 -0.221,395 -0.432,396 -0.198,397 0.618,398 -0.072,399 2.121,400 0.55,401 -0.418,402 -0.433,403 -0.725,404 -0.4,405 0.507,406 -0.261,407 1.85,408 0.331,409 -0.562,410 -0.566,411 -1.303,412 -0.491,413 0.437,414 -0.532,415 1.739,416 0.238,417 -0.724,418 -0.773,419 -1.625,420 -0.7,421 12.167,422 0.487,423 0.548,424 0.022,425 17.25,426 0.69,427 3.5,428 0.14,429 13.75,430 0.55,431 31.294,432 1.252,433 31.633,434 0.527,435 11.373,436 0.455,437 2.48,438 0.099,439 9.472,440 0.379,441 0.178,443 0.288,447 1.019,448 1.361,449 1.153,450 1.522,451 0.985,452 1.264,453 0.728,454 1.412,455 1.149,456 1.34,457 0.726,458 1.355,459 0.922,460 1.052,461 0.914,462 0.923,463 0.923,464 1.041,465 0.856,466 0.981,467 0.882,468 0.872,469 0.835,470 0.991,471 0.941,472 0.944,473 0.822,474 0.792,475 0.913,476 0.942,477 0.861,478 1.032,479 0.817,480 0.86,481 0.82,482 0.993,483 1.11,484 1.021,485 1.017,486 0.922,487 1.051,488 1.065,489 0.964,490 0.919,491 0.875,492 0.812,493 0.94,494 0.944,495 4.5,496 0.159,497 2.444,498 1.889,499 0.81,500 0.691,501 0.493,502 0.269,503 0.211,504 0.225,505 6876,506 17623,507 1.867,508 58.3,509 13,510 9,513 5,515 6,516 2,517 1.678,518 1.724,519 3.582,520 1.736,522 1,525 82.568,526 1.376,527 3.066,528 4.598,529 5.394,530 5.528,531 5.528,532 3.079,533 3.974,534 4.603,535 3.794,536 1138.29,537 7.96,538 15027.6,540 1,542 354.413,543 1.479,544 4.553,545 0.18,546 0.008,547 0.079,548 0.063,549 0.029,550 0.026,551 0.018,552 0.011,553 0.01,554 0.01,555 0.433,556 0.17,557 0.88,558 2.72,559 124.735,560 -0.179,561 0.074,562 0.07,563 -0.011,564 -0.165,565 0.046,566 0.055,567 -0.176,568 -0.154,569 -0.182,570 0.063,571 -0.184,572 -0.055,573 -0.045,574 -0.04,575 -0.038,576 -0.065,577 -0.037,578 0.013,579 -0.006,580 -0.012,581 -0.007,582 0.01,583 -0.009,584 -0.054,585 0.018,586 0.018,587 0.027,588 -0.047,589 0.031,590 0.045,591 -0.038,592 0.036,593 -0.016,594 0.05,595 0.001,596 -0.049,597 -0.039,598 -0.104,599 -0.04,600 -0.041,601 -0.087,602 -0.07,603 0.023,604 0.009,605 0.05,606 -0.072,607 0.014,608 3.301,609 4.183,610 0.2,611 30.688,612 0.992,613 1.137,614 1.98,615 3.919,616 0.611,617 3.258,618 3.466,619 3.584,620 3.738,621 3.761,622 3.738,623 3.714,624 3.714,625 3.714,626 3.689,627 7.348,628 0.55,629 374.51,630 3.258,631 4.727,632 5.501,633 6.323,634 7.13,635 7.968,636 8.796,637 9.646,638 10.489,639 11.347,670 60,671 3,673 25,675 60,676 19,681 1,682 1,685 1,688 3,689 2,691 11,693 4,694 15,695 2,696 3,698 1,699 4,704 1,707 35,708 5,709 4,710 6,711 1,717 1,718 5,719 3,724 1,730 1,741 4,746 4,748 1,752 1,756 25,759 4,760 9,764 5,773 8.3,774 4,776 1,779 14.5,780 9.717,781 5.917,782 3.944,783 1,785 0.84,786 1.134,787 0.82,788 11.605,789 7.12,790 3.367,791 3.638,792 3.807,793 4.043,794 4.205,795 4.369,796 4.443,797 4.511,798 4.575,799 4.635,800 0.889,801 30,802 9.48,803 3.978,804 7.984,805 18.264,806 15.095,807 2.484,808 62.093,812 373.222,813 67.006,816 185.445,818 20.089,819 67.006,820 538.578,822 8.825,823 40.365,824 203.087,825 20.263,828 353.133,830 353.133,831 67.006,832 185.445,833 20.089,835 258.964,836 114.432,837 165.182,839 29.101,841 57.994,843 353.133,844 185.445,845 67.006,846 20.089,847 20.089,848 353.133,849 20.276,850 46.73,852 185.445,853 353.133,854 185.445,855 87.095,857 0.549,858 0.29,859 0.146,860 0.075,861 9,862 6,863 0.2,864 12,866 1,867 3.751,868 170.895,870 5,871 114.096,874 22.599,875 12.838,876 9.168,878 185.445,886 165.182,887 625.673,888 28,890 10.645,891 7.59,895 59.516,896 68.244,897 0.233,898 0.519,899 0.778,900 0.913,901 0.936,902 0.936,903 4.575,904 1.123,905 5.442,906 3.08,907 4.143,908 4.317,909 0.775,910 6.151,911 4.104,912 5.659,913 0.836,914 6.942,915 2.418,916 3.611,917 3.761,919 6.952,920 3.509,921 6.872,922 0.588,923 8.554,924 1.735,925 5.617,926 5.948,927 0.521,928 10.044,929 5.542,930 8.112,931 0.249,932 10.237,933 1.076,934 5.943,935 6.176,937 11.812,938 5.809,939 9.387,940 -0.203,941 11.97,942 0.52,943 7.418,944 7.838,945 0.336,946 14.431,947 7.303,948 10.687,949 -0.418,950 13.74,951 -0.432,952 8.181,953 8.465,955 16.585,956 8.02,957 12.007,958 -0.562,959 15.539,960 -0.725,961 9.442,962 9.884,963 0.21,964 19.047,965 9.287,966 3.148,967 -0.724,968 17.361,969 -1.303,970 10.419,971 10.735,973 21.342,974 10.23,975 2.374,976 10.723,977 19.2,978 -1.625,979 11.6,980 12.03,981 0.128,982 23.747,983 11.405,984 2.236,985 6.314,986 21.053,987 3.21,988 12.673,989 13.009,991 26.092,992 12.451,993 2.041,994 5.958,995 22.916,996 2.713,997 13.827,998 14.239,999 0.077,1000 28.477,1001 13.593,1002 1.78,1003 5.184,1004 24.787,1005 2.572,1006 14.941,1007 15.295,1009 30.839,1010 14.685,1011 1.628,1012 4.755,1013 26.665,1014 2.269,1015 16.088,1016 16.491,1017 0.046,1018 33.216,1019 15.816,1020 1.555,1021 3.45,1022 28.548,1023 1.989,1024 17.22,1025 17.591,1027 35.585,1028 16.928,1029 7346,1030 11849,1031 15.603,1032 36.66,1033 35.878,1034 35.519,1035 36.595,1036 35.248,1037 35.115,1038 38.321,1039 1.529,1040 90.425,1041 34.35,1042 5.085,1043 5.211,1044 6.593,1045 5.11,1046 5.128,1047 5.599,1048 1.529,1049 17.488,1050 5.068,1051 16.292,1052 1.435,1053 1.421,1054 1.464,1055 1.41,1056 1.405,1057 1.533,1058 0.061,1059 3.617,1060 1.374,1061 3.976,1062 4.012,1063 4.39,1064 3.972,1065 7.431,1066 3.87,1067 3.783,1068 3.826,1069 3.87,1070 3.863,1071 6.465,1072 3.669,1073 3.755,1074 3.812,1075 3.609,1076 3.633,1077 6.449,1078 3.614,1079 3.562,1080 3.611,1081 3.507,1082 3.518,1083 6.434,1084 3.436,1085 3.515,1086 3.565,1087 3.366,1088 3.381,1089 6.344,1090 3.36,1091 3.225,1092 3.303,1093 3.073,1094 3.081,1095 4.429,1096 3.042,1097 3.197,1098 3.259,1099 3.018,1100 3.057,1101 4.288,1102 3.002,1103 2.982,1104 3.036,1105 2.808,1106 2.705,1107 4.157,1108 2.705,1109 0.167,1110 0.133,1111 0.267,1112 0.165,1113 0.126,1114 4.172,1115 0.128,1116 3.336,1117 0.031,1118 6.682,1119 0.429,1120 4.13,1121 0.124,1122 3.148,1123 3.21,1124 0.765,1125 10.723,1126 3.088,1127 1.845,1128 1.804,1129 2.036,1130 1.97,1131 1.374,1132 1.997,1133 1.786,1134 1.738,1135 1.998,1136 1.92,1137 1.341,1138 1.964,1139 1.706,1140 1.656,1141 1.894,1142 1.829,1143 1.289,1144 1.88,1145 1.614,1146 1.568,1147 1.814,1148 1.778,1149 1.152,1150 1.807,1151 1.492,1152 1.442,1153 1.745,1154 1.681,1155 1.017,1156 1.712,1157 1.416,1158 1.362,1159 1.591,1160 1.537,1161 0.89,1162 1.622,1163 1.187,1164 1.112,1165 1.453,1166 1.389,1167 0.693,1168 1.443,1169 1.039,1170 0.973,1171 1.276,1172 1.255,1173 0.572,1174 1.319,1175 3.932,1177 5.165,1178 2.398,1179 6.558,1180 4.844,1181 8.04,1182 6.986,1183 9.583,1185 2.126,1189 39.155,1190 6.758,1194 -1.807,1199 32.98,1200 82.568,1201 183.937,1202 275.884,1203 323.659,1204 331.659,1205 331.659,1206 124.501,1207 6.28,1208 97.99,1209 121.46,1210 5,1211 11.903,1212 2,1213 2,1214 71.876,1215 104,1216 122,1217 0.324,1218 213.687,1219 383.4,1220 513.156,1221 3962,1223 18.656,1224 0.746,1225 0.65,1226 18.945,1227 16.257,1228 11.952,1229 0.478,1230 0.444,1231 9.604,1232 10.983,1233 9.272,1234 7.728,1235 12.733,1236 11.108,1237 10.082,1238 0.325,1239 0.269,1240 10.923,1241 8.34,1242 7.118,1243 0.203,1244 0.163,1245 7.508,1246 5.692,1247 5.427,1248 0.132,1249 0.095,1250 5.704,1251 3.912,1252 3.718,1253 0.089,1254 0.056,1255 3.913,1256 2.357,1257 0.523,1258 81.63,1259 0.253,1260 25.142,1261 0.844,1262 112,1263 306.406,1264 142.846,1265 294.066,1266 367.34,1267 270,1268 122,1269 214.488,1270 150.818,1271 230.878,1272 330,1273 218,1274 6.943}
{0 CHEMBL14286,1 1.336,2 12.708,3 3.631,4 13.182,5 94.713,6 5.789,8 4.1,9 4.241,10 3.395,11 3.544,12 5.027,13 3.472,14 4.723,15 4.943,16 3.676,17 3.943,18 5.64,19 3.812,20 5.077,21 5.364,22 3.645,23 4.074,24 5.862,25 3.899,26 5.069,27 5.354,28 3.587,29 4.063,30 5.858,31 3.875,32 5.065,33 5.361,34 3.585,35 4.031,36 5.846,37 3.841,38 5.017,39 5.305,40 3.581,41 3.979,42 5.85,43 3.808,44 4.975,45 5.258,46 3.493,47 3.93,48 5.897,49 3.748,50 4.906,51 5.206,52 3.383,53 3.859,54 5.707,55 3.659,56 0.068,57 0.761,58 14.865,59 6.016,60 9.839,61 8.521,62 0.306,63 1.203,64 26.587,65 9.582,66 40.295,67 14.227,68 0.432,69 1.41,70 36.009,71 11.526,72 56.103,73 17.676,74 0.428,75 1.383,76 35.554,77 11.628,78 60.176,79 17.671,80 0.459,81 1.347,82 35.202,83 11.362,84 57.97,85 17.366,86 0.424,87 1.279,88 33.929,89 10.567,90 60.096,91 16.225,92 0.539,93 1.217,94 32.723,95 10.124,96 82.999,97 15.508,98 0.473,99 1.13,100 29.972,101 9.637,102 56.606,103 14.695,104 54,105 29,106 0.225,107 0.39,108 0.641,109 0.841,110 0.898,111 0.898,112 3.226,113 1.217,114 -3.71,115 -3.68,116 -3.5,118 32.2,119 1,120 13,124 1,125 2,145 2,150 1,153 1,154 10,155 1,157 1,158 6,160 1,162 3,164 8,165 1,167 4,170 3,171 8,172 1,175 4,179 2,180 8,181 1,184 5,187 1,189 3,192 7,193 1,196 4,200 3,202 8,206 3,207 1,208 1,210 1,211 8,214 1,215 3,217 1,219 1,222 8,226 2,227 1,230 1,233 6,234 3,236 1064,237 15.941,238 15.941,239 15.941,240 15.941,241 15.941,242 15.604,243 15.559,244 10.19,245 16.067,246 11.82,247 11.82,248 11.82,249 11.82,250 11.82,251 11.23,252 17.253,253 4.848,254 12.031,255 4.546,256 3.568,257 2.082,258 0.894,259 0.555,260 0.555,261 3.872,265 1,266 1,267 591,268 4.416,270 83.764,277 2.292,278 30.654,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 52.5,289 305,290 4.124,291 3.774,292 6.471,293 3.986,294 3.026,295 3.249,296 2.341,297 10.007,298 2.899,299 3.55,300 3.596,301 5.086,302 3.337,303 2.374,304 2.71,305 1.94,306 6.161,307 2.281,308 3.391,309 2.7,310 4.883,311 3.241,312 2.235,313 2.398,314 0.555,315 5.282,316 2.223,317 3.054,318 2.542,319 4.659,320 2.863,321 1.852,322 2.061,324 5.184,325 1.862,326 2.803,327 1.866,328 4.139,329 2.764,330 1.763,331 1.801,333 3.85,334 1.759,335 2.597,336 1.639,337 3.688,338 2.579,339 1.585,340 1.595,342 3.137,343 1.573,344 2.414,345 1.583,346 3.598,347 2.349,348 1.366,349 1.4,351 3.051,352 1.337,353 1.956,354 1.157,355 3.181,356 1.906,357 0.915,358 0.933,360 1.969,361 0.903,362 1.865,363 1.08,364 3.095,365 1.825,366 0.823,367 0.837,369 1.642,370 0.823,371 1.584,372 0.765,373 2.639,374 1.498,375 0.509,376 0.526,378 0.938,379 0.499,380 1.287,381 0.638,382 2.475,383 1.224,384 0.237,385 0.242,387 0.495,388 0.232,389 0.965,390 0.451,391 2,392 0.772,393 -0.248,394 -0.267,395 -0.504,396 -0.249,397 0.598,398 0.251,399 2,400 0.555,401 -0.418,402 -0.422,403 -0.731,404 -0.401,405 0.556,406 -0.237,407 1.848,408 0.301,409 -0.724,410 -0.773,411 -1.608,412 -0.717,413 0.324,414 -0.261,415 1.512,416 0.006,417 -1,418 -1.088,419 -2,420 -0.966,421 11.233,422 0.468,423 0.459,424 0.019,425 16.75,426 0.698,427 3,428 0.125,429 13.75,430 0.573,431 29.719,432 1.238,433 30.767,434 0.521,435 9.594,436 0.4,437 2.29,438 0.095,439 9.251,440 0.385,441 0.163,443 0.214,447 0.792,448 1.585,449 1.1,450 1.462,451 0.709,452 1.346,453 0.53,454 1.475,455 1.074,456 1.412,457 0.452,458 1.336,459 0.949,460 0.993,461 1.008,462 0.989,463 0.871,464 0.998,465 0.959,466 1.03,467 1.036,468 1.032,469 0.94,470 1.044,471 0.855,472 0.977,473 0.939,474 0.974,475 0.861,476 0.97,477 1.042,478 0.98,479 0.981,480 0.967,481 0.988,482 0.961,483 1.068,484 0.994,485 1.063,486 0.991,487 1.008,488 1.02,489 0.855,490 0.909,491 0.953,492 0.928,493 0.937,494 0.956,495 4,496 0.126,497 2.222,498 1.292,499 0.73,500 0.524,501 0.412,502 0.207,503 0.161,504 0.2,505 6385,506 15025,507 1.884,508 59.3,509 15,510 4,513 2,514 4,515 10,517 1.665,518 1.756,519 3.6,520 0.255,522 1,525 78.84,526 1.336,527 2.315,528 3.8,529 4.988,530 5.327,531 5.327,532 3.09,533 4.418,534 4.545,535 3.808,536 1051.08,537 7.832,538 13659.8,540 1,541 1,542 347.076,543 1.397,544 4.506,545 0.167,546 0.007,547 0.077,548 0.048,549 0.029,550 0.021,551 0.016,552 0.009,553 0.008,554 0.01,555 0.392,556 0.33,557 0.88,558 2.754,559 118.842,560 -0.051,561 -0.096,562 -0.007,563 -0.017,564 -0.036,565 -0.01,566 0.152,567 -0.212,568 -0.063,569 -0.198,570 0.138,571 -0.171,572 -0.075,573 0.025,574 -0.035,575 0.001,576 -0.053,577 -0.006,578 -0.08,579 -0.027,580 -0.068,581 -0.031,582 -0.07,583 -0.045,584 -0.005,585 -0.003,586 0.015,587 0.002,588 -0.035,589 0.009,590 -0.07,593 0.001,594 -0.054,595 0.012,596 -0.028,597 -0.016,598 -0.07,599 -0.021,600 0.002,601 -0.049,602 0.024,603 0.048,605 0.031,606 -0.041,607 0.01,608 2.401,609 5.035,610 0.208,611 29.306,612 0.99,613 1.142,614 2.482,615 6.163,616 0.589,617 3.219,618 3.401,619 3.497,620 3.611,621 3.611,622 3.611,623 3.611,624 3.611,625 3.584,626 3.584,627 7.403,628 0.54,629 341.55,630 3.219,631 4.673,632 5.434,633 6.236,634 7.027,635 7.844,636 8.653,637 9.481,638 10.303,639 11.138,640 1.7,644 1,670 59,671 2,673 24,675 59,676 19,681 1,682 1,685 1,688 3,691 15,693 2,694 17,696 2,698 2,701 2,704 1,707 35,708 5,709 2,710 5,714 1,717 1,718 4,719 1,730 1,738 1,739 1,746 2,748 1,752 1,756 24,759 2,760 14,764 2,765 1,773 6.8,774 1,775 1,776 2,779 13.667,780 10.1,781 5.722,782 4.333,785 0.159,786 1.026,787 0.843,788 11.149,789 6.346,790 3.296,791 3.526,792 3.611,793 3.738,794 3.761,795 3.738,796 3.761,797 3.761,798 3.738,799 3.829,800 0.889,801 27,802 9.014,803 3.636,804 7.875,805 17.699,806 14.33,807 2.375,808 57,810 1,811 1,812 388.446,813 49.494,814 3.124,816 135.657,819 49.494,820 524.103,821 3.124,822 8.825,823 38.179,824 42.683,825 98.588,828 388.446,830 388.446,831 52.619,832 135.657,835 270.735,836 210.684,837 42.683,839 47.004,840 5.615,843 388.446,844 138.781,845 49.494,848 388.446,849 40.669,850 11.95,852 135.657,853 388.446,854 138.781,855 49.494,857 0.544,858 0.283,859 0.138,860 0.07,861 8,862 5,863 0.237,864 14,866 1,867 3.73,868 157.958,870 5,871 110.039,874 21.277,875 12.576,876 9.352,878 138.781,886 85.367,887 576.722,888 26,890 22.499,893 -0.492,895 58.432,896 67.394,897 0.227,898 0.393,899 0.646,900 0.848,901 0.906,902 0.906,903 4.489,904 0.915,905 5.352,906 3.051,907 4.078,908 4.205,909 2.788,910 6.014,911 4.038,912 5.541,913 0.823,914 6.821,915 1.969,916 3.434,917 3.761,918 2.619,919 6.72,920 3.326,921 6.744,922 0.509,923 8.4,924 1.642,925 5.509,926 5.79,927 4.027,928 9.778,929 5.409,930 7.975,931 0.237,932 10.05,933 0.938,934 5.74,935 6.217,936 4.418,937 11.465,938 5.546,939 9.246,940 -0.248,941 11.751,942 0.495,943 7.246,944 7.695,945 5.492,946 14.028,947 7.059,948 10.542,949 -0.418,950 13.491,951 -0.504,952 7.923,953 8.525,954 6.117,955 16.103,956 7.641,957 11.859,958 -0.724,959 15.26,960 -0.731,961 9.187,962 9.797,963 7.055,964 18.501,965 8.897,966 3.026,967 -1,968 17.052,969 -1.608,970 10.089,971 10.813,972 7.79,973 20.72,974 9.719,975 2.374,976 10.007,977 18.862,978 -2,979 11.252,980 12.01,981 8.671,982 23.06,983 10.859,984 2.235,985 6.161,986 20.685,987 3.249,988 12.263,989 13.11,990 9.46,991 25.332,992 11.803,993 1.852,994 5.282,995 22.518,996 2.71,997 13.387,998 14.283,999 10.317,1000 27.65,1001 12.894,1002 1.763,1003 5.184,1004 24.36,1005 2.398,1006 14.449,1007 15.422,1008 11.134,1009 29.94,1010 13.898,1011 1.585,1012 3.85,1013 26.207,1014 2.061,1015 15.559,1016 16.589,1017 11.982,1018 32.25,1019 14.97,1020 1.366,1021 3.137,1022 28.059,1023 1.801,1024 16.644,1025 17.746,1026 12.813,1027 34.548,1028 16.004,1029 6804,1030 10560,1031 15.197,1032 34.768,1033 33.414,1034 34.5,1035 34.663,1036 33.421,1037 33.372,1038 35.501,1039 9.674,1040 83.433,1041 32.779,1042 5.103,1043 5.716,1044 6.382,1045 4.995,1046 5.007,1047 5.249,1048 3.925,1049 16.515,1050 4.862,1051 14.692,1052 1.392,1053 1.438,1054 1.444,1055 1.393,1056 1.39,1057 1.479,1058 0.403,1059 3.476,1060 1.366,1061 3.944,1062 3.997,1063 3.842,1064 3.792,1065 7.474,1066 3.794,1067 3.762,1068 3.822,1069 3.613,1070 3.629,1071 7.427,1072 3.615,1073 3.74,1074 3.794,1075 3.603,1076 3.598,1077 6.449,1078 3.587,1079 3.551,1080 3.614,1081 3.384,1082 3.388,1083 6.351,1084 3.376,1085 3.492,1086 3.541,1087 3.345,1088 3.311,1089 4.288,1090 3.308,1091 3.245,1092 3.328,1093 3.04,1094 3.071,1095 4.17,1096 3.049,1097 3.171,1098 3.228,1099 2.994,1100 2.927,1101 4.079,1102 2.935,1103 2.978,1104 3.049,1105 2.776,1106 2.739,1107 3.85,1108 2.732,1109 0.172,1110 0.157,1111 0.27,1112 0.166,1113 0.126,1114 4.124,1115 0.135,1116 3.774,1117 0.098,1118 6.471,1119 0.417,1120 3.986,1121 0.121,1122 3.026,1123 3.249,1124 2.341,1125 10.007,1126 2.899,1127 1.816,1128 1.76,1129 2.047,1130 1.984,1131 1.416,1132 2.006,1133 1.772,1134 1.714,1135 2.018,1136 1.941,1137 1.369,1138 1.969,1139 1.679,1140 1.615,1141 1.935,1142 1.852,1143 1.288,1144 1.883,1145 1.554,1146 1.505,1147 1.788,1148 1.772,1149 1.087,1150 1.775,1151 1.496,1152 1.433,1153 1.777,1154 1.697,1155 1.075,1156 1.725,1157 1.355,1158 1.299,1159 1.636,1160 1.596,1161 0.894,1162 1.601,1163 1.176,1164 1.098,1165 1.483,1166 1.433,1167 0.725,1168 1.46,1169 1.014,1170 0.951,1171 1.348,1172 1.308,1173 0.576,1174 1.315,1175 3.892,1177 5.106,1178 2.398,1179 6.475,1180 4.727,1181 7.928,1182 6.783,1183 9.436,1185 2.163,1189 18.666,1190 12.111,1194 0.058,1195 1.996,1199 31.836,1200 78.84,1201 136.557,1202 224.214,1203 294.321,1204 314.321,1205 314.321,1206 100.461,1207 6.186,1208 77.84,1209 77.84,1210 5,1211 11.711,1212 1.585,1213 1.585,1214 67.281,1215 101,1216 115,1217 0.311,1218 202.556,1219 365.78,1220 485.997,1221 3630,1223 17.786,1224 0.741,1225 0.634,1226 17.786,1227 15.212,1228 11.541,1229 0.481,1230 0.406,1231 9.648,1232 11.157,1233 9.454,1234 7.896,1235 11.541,1236 9.735,1237 9.542,1238 0.329,1239 0.244,1240 9.542,1241 7.065,1242 6.729,1243 0.21,1244 0.155,1245 6.729,1246 4.966,1247 4.92,1248 0.137,1249 0.096,1250 4.92,1251 3.472,1252 3.381,1253 0.094,1254 0.062,1255 3.381,1256 2.235,1257 0.506,1258 72.092,1259 0.257,1260 24.445,1261 0.799,1262 106,1263 297.416,1264 117.494,1265 276.146,1266 347.68,1267 254,1268 114,1269 225.745,1270 123.31,1271 222.242,1272 316.69,1273 210,1274 4.886}
{0 CHEMBL14334,1 1.356,2 12.708,3 3.456,4 11.945,5 95.522,6 5.957,8 4.069,9 4.206,10 3.39,11 3.522,12 5.034,13 3.456,14 4.673,15 4.887,16 3.667,17 3.908,18 5.644,19 3.785,20 5.009,21 5.291,22 3.63,23 4.028,24 5.843,25 3.862,26 4.975,27 5.252,28 3.565,29 3.997,30 5.827,31 3.823,32 4.954,33 5.238,34 3.566,35 3.956,36 5.8,37 3.785,38 4.92,39 5.196,40 3.567,41 3.918,42 5.804,43 3.764,44 4.897,45 5.168,46 3.481,47 3.876,48 5.876,49 3.71,50 4.823,51 5.109,52 3.372,53 3.806,54 5.677,55 3.622,56 0.062,57 0.738,58 14.143,59 5.791,60 11.115,61 8.123,62 0.292,63 1.163,64 25.258,65 9.173,66 44.222,67 13.522,68 0.4,69 1.359,70 34.099,71 11.085,72 60.662,73 16.818,74 0.39,75 1.303,76 32.914,77 10.936,78 65.284,79 16.409,80 0.418,81 1.261,82 32.21,83 10.508,84 60.784,85 15.875,86 0.387,87 1.214,88 31.457,89 9.917,90 61.073,91 15.029,92 0.524,93 1.166,94 30.924,95 9.589,96 87.52,97 14.514,98 0.456,99 1.082,100 28.258,101 9.138,102 59.793,103 13.781,104 54,105 29,106 0.23,107 0.455,108 0.691,109 0.855,110 0.902,111 0.902,112 3.226,113 1.177,114 -3.62,115 -3.59,116 -3.42,118 33.3,119 1,120 11,124 1,125 2,129 2,145 2,150 1,153 1,154 10,155 1,157 1,158 6,160 1,162 3,164 8,165 1,167 4,170 3,171 8,172 1,175 4,179 2,180 8,181 1,184 5,187 1,189 3,192 7,193 1,196 4,200 3,202 8,206 3,207 1,208 1,210 1,211 8,214 1,215 3,217 1,219 1,222 8,226 2,227 1,230 1,233 6,234 3,236 1064,237 15.941,238 15.941,239 15.941,240 15.941,241 15.941,242 15.449,243 16.441,244 10.19,245 16.067,246 11.82,247 11.82,248 11.82,249 11.82,250 11.82,251 10.938,252 17.869,253 4.848,254 12.031,255 4.477,256 3.148,257 1.751,258 0.785,259 0.504,260 0.504,261 3.872,265 1,266 1,267 591,268 4.416,270 83.764,277 2.292,278 30.346,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 52.5,289 305,290 4.141,291 3.789,292 6.471,293 3.986,294 3.026,295 3.279,296 2.341,297 10.007,298 2.899,299 3.55,300 3.596,301 5.086,302 3.337,303 2.374,304 2.71,305 1.943,306 6.161,307 2.281,308 3.533,309 2.895,310 4.883,311 3.241,312 2.235,313 2.638,314 0.765,315 5.282,316 2.223,317 3.078,318 2.684,319 4.659,320 2.863,321 1.852,322 2.088,323 0.736,324 5.184,325 1.862,326 2.813,327 1.91,328 4.139,329 2.764,330 1.763,331 1.808,332 0.079,333 3.85,334 1.759,335 2.629,336 1.663,337 3.688,338 2.579,339 1.585,340 1.614,342 3.137,343 1.573,344 2.43,345 1.615,346 3.598,347 2.349,348 1.366,349 1.407,351 3.051,352 1.337,353 2.176,354 1.162,355 3.181,356 1.906,357 0.915,358 0.981,360 1.969,361 0.903,362 1.954,363 1.153,364 3.095,365 1.825,366 0.823,367 0.926,369 1.642,370 0.823,371 1.628,372 0.8,373 2.639,374 1.498,375 0.509,376 0.562,378 0.938,379 0.499,380 1.373,381 0.644,382 2.475,383 1.224,384 0.237,385 0.254,387 0.495,388 0.232,389 1.02,390 0.484,391 2,392 0.772,393 -0.248,394 -0.271,395 -0.504,396 -0.249,397 0.611,398 0.252,399 2,400 0.555,401 -0.418,402 -0.431,403 -0.731,404 -0.401,405 0.557,406 -0.187,407 1.848,408 0.301,409 -0.724,410 -0.778,411 -1.608,412 -0.717,413 0.325,414 -0.26,415 1.512,416 0.006,417 -1,418 -1.091,419 -2,420 -0.966,421 11.233,422 0.468,423 0.459,424 0.019,425 17.75,426 0.74,427 4,428 0.167,429 13.75,430 0.573,431 27.896,432 1.162,433 30.167,434 0.529,435 11.418,436 0.476,437 2.761,438 0.115,439 8.78,440 0.366,441 0.163,443 0.214,447 0.793,448 1.534,449 1.065,450 1.409,451 0.719,452 1.298,453 0.539,454 1.448,455 1.058,456 1.382,457 0.46,458 1.31,459 0.923,460 0.986,461 0.987,462 0.981,463 0.863,464 0.986,465 0.956,466 1.024,467 1.021,468 1.024,469 0.963,470 1.032,471 0.879,472 0.988,473 0.95,474 0.982,475 0.877,476 0.978,477 1.067,478 1.004,479 1.003,480 0.989,481 1.005,482 0.981,483 1.129,484 0.998,485 1.094,486 0.994,487 1.074,488 1.031,489 0.909,490 0.926,491 0.991,492 0.946,493 1.002,494 0.981,495 4,496 0.126,497 2.222,498 1.292,499 0.73,500 0.524,501 0.412,502 0.207,503 0.161,504 0.2,505 6385,506 15732,507 1.884,508 57.9,509 15,510 6,513 2,514 4,515 6,517 1.665,518 1.756,519 3.6,520 0.255,522 1,525 77.299,526 1.356,527 2.685,528 4.082,529 5.048,530 5.328,531 5.328,532 3.09,533 4.418,534 4.545,535 3.808,536 1051.08,537 7.832,538 13659.8,540 1,541 1,542 332.475,543 1.397,544 4.506,545 0.167,546 0.007,547 0.077,548 0.048,549 0.029,550 0.021,551 0.016,552 0.009,553 0.008,554 0.01,555 0.392,556 0.33,557 0.88,558 2.754,559 118.842,560 -0.054,561 -0.094,562 -0.008,563 -0.014,564 -0.045,565 -0.008,566 0.152,567 -0.207,568 -0.062,569 -0.195,570 0.143,571 -0.169,572 -0.068,573 0.027,574 -0.02,575 0.007,576 -0.049,577 0.005,578 -0.078,579 -0.023,580 -0.054,581 -0.02,582 -0.075,583 -0.032,584 -0.01,586 0.012,587 0.002,588 -0.039,589 0.008,590 -0.081,591 -0.007,592 -0.014,593 -0.01,594 -0.067,595 -0.001,596 -0.044,597 -0.015,598 -0.091,599 -0.024,600 -0.019,601 -0.06,602 0.01,603 0.044,604 -0.025,605 0.021,606 -0.061,607 -0.009,608 2.41,609 5.001,610 0.208,611 29.306,612 0.992,613 1.14,614 2.386,615 5.692,616 0.597,617 3.219,618 3.401,619 3.497,620 3.611,621 3.611,622 3.611,623 3.611,624 3.611,625 3.584,626 3.584,627 7.403,628 0.549,629 339.53,630 3.219,631 4.673,632 5.434,633 6.236,634 7.027,635 7.844,636 8.653,637 9.481,638 10.303,639 11.138,640 1.8,644 1,670 57,671 3,673 24,675 57,676 19,681 1,682 1,685 1,688 3,691 13,693 4,694 15,696 3,698 2,699 2,701 2,704 1,707 33,708 5,709 2,710 5,714 1,717 1,718 4,719 1,730 1,738 1,739 1,741 2,746 2,748 1,752 1,756 24,759 2,760 12,764 2,765 1,773 7,774 1,775 1,776 2,779 13.667,780 9.767,781 5.722,782 4.083,785 0.55,786 1.089,787 0.844,788 10.818,789 6.736,790 3.332,791 3.584,792 3.738,793 3.912,794 4.043,795 4.127,796 4.205,797 4.22,798 4.174,799 4.234,800 0.889,801 27,802 8.99,803 3.621,804 7.917,805 17.48,806 13.974,807 2.417,808 58,810 1,811 1,812 364.904,813 63.378,814 3.124,816 135.657,819 63.378,820 500.561,821 3.124,822 8.825,823 33.11,824 61.636,825 98.588,828 364.904,830 364.904,831 66.502,832 135.657,835 294.278,836 163.6,837 42.683,839 41.935,840 5.615,841 18.952,843 364.904,844 138.781,845 63.378,848 364.904,849 35.6,850 30.902,852 135.657,853 364.904,854 138.781,855 63.378,857 0.544,858 0.283,859 0.138,860 0.07,861 8,862 5,863 0.228,864 13,866 1,867 3.73,868 157.958,870 5,871 110.039,874 21.018,875 12.353,876 9.159,878 138.781,886 85.367,887 567.063,888 27,890 22.457,891 3.838,893 -0.553,895 56.549,896 64.979,897 0.232,898 0.46,899 0.7,900 0.865,901 0.914,902 0.914,903 4.522,904 0.915,905 5.352,906 3.051,907 4.078,908 4.263,909 2.888,910 6.014,911 4.038,912 5.591,913 0.823,914 6.821,915 1.969,916 3.434,917 3.761,918 2.619,919 6.72,920 3.326,921 6.798,922 0.509,923 8.4,924 1.642,925 5.509,926 5.905,927 4.048,928 9.778,929 5.409,930 8.035,931 0.237,932 10.05,933 0.938,934 5.74,935 6.256,936 4.42,937 11.465,938 5.546,939 9.311,940 -0.248,941 11.751,942 0.495,943 7.246,944 7.843,945 5.497,946 14.028,947 7.059,948 10.612,949 -0.418,950 13.491,951 -0.504,952 7.923,953 8.598,954 6.119,955 16.103,956 7.641,957 11.933,958 -0.724,959 15.26,960 -0.731,961 9.187,962 9.955,963 7.058,964 18.501,965 8.897,966 3.026,967 -1,968 17.052,969 -1.608,970 10.089,971 10.911,972 7.792,973 20.72,974 9.719,975 2.374,976 10.007,977 18.862,978 -2,979 11.252,980 12.167,981 8.673,982 23.06,983 10.859,984 2.235,985 6.161,986 20.685,987 3.279,988 12.263,989 13.228,990 9.462,991 25.332,992 11.803,993 1.852,994 5.282,995 22.518,996 2.71,997 13.387,998 14.44,999 10.319,1000 27.65,1001 12.894,1002 1.763,1003 5.184,1004 24.36,1005 2.638,1006 14.449,1007 15.555,1008 11.135,1009 29.94,1010 13.898,1011 1.585,1012 3.85,1013 26.207,1014 2.088,1015 15.559,1016 16.749,1017 11.983,1018 32.25,1019 14.97,1020 1.366,1021 3.137,1022 28.059,1023 1.808,1024 16.644,1025 17.895,1026 12.814,1027 34.548,1028 16.004,1029 6804,1030 10795,1031 15.197,1032 34.006,1033 33.859,1034 34.348,1035 34.663,1036 33.421,1037 33.372,1038 36.533,1039 11.727,1040 83.433,1041 32.779,1042 5.117,1043 5.657,1044 6.382,1045 4.995,1046 5.007,1047 5.661,1048 3.925,1049 16.515,1050 4.862,1051 14.692,1052 1.411,1053 1.431,1054 1.444,1055 1.393,1056 1.39,1057 1.522,1058 0.489,1059 3.476,1060 1.366,1061 3.942,1062 3.992,1063 3.849,1064 3.798,1065 7.474,1066 3.801,1067 3.758,1068 3.817,1069 3.615,1070 3.628,1071 7.427,1072 3.615,1073 3.737,1074 3.792,1075 3.599,1076 3.595,1077 6.45,1078 3.584,1079 3.541,1080 3.597,1081 3.39,1082 3.386,1083 6.351,1084 3.378,1085 3.489,1086 3.538,1087 3.345,1088 3.309,1089 4.403,1090 3.306,1091 3.221,1092 3.296,1093 3.032,1094 3.061,1095 4.169,1096 3.041,1097 3.171,1098 3.228,1099 2.994,1100 2.927,1101 4.129,1102 2.935,1103 2.941,1104 3.006,1105 2.751,1106 2.695,1107 3.934,1108 2.692,1109 0.173,1110 0.158,1111 0.27,1112 0.166,1113 0.126,1114 4.141,1115 0.137,1116 3.789,1117 0.098,1118 6.471,1119 0.417,1120 3.986,1121 0.121,1122 3.026,1123 3.279,1124 2.341,1125 10.007,1126 2.899,1127 1.812,1128 1.761,1129 2.034,1130 1.972,1131 1.378,1132 1.993,1133 1.771,1134 1.713,1135 2.017,1136 1.937,1137 1.353,1138 1.966,1139 1.669,1140 1.61,1141 1.901,1142 1.837,1143 1.217,1144 1.86,1145 1.554,1146 1.505,1147 1.788,1148 1.769,1149 1.086,1150 1.774,1151 1.482,1152 1.422,1153 1.763,1154 1.684,1155 1.021,1156 1.711,1157 1.343,1158 1.287,1159 1.602,1160 1.585,1161 0.816,1162 1.585,1163 1.154,1164 1.082,1165 1.459,1166 1.404,1167 0.664,1168 1.429,1169 0.996,1170 0.934,1171 1.323,1172 1.294,1173 0.538,1174 1.298,1175 3.892,1177 5.106,1178 2.398,1179 6.475,1180 4.727,1181 7.928,1182 6.783,1183 9.436,1185 2.145,1189 18.571,1190 9.936,1194 -0.303,1195 1.909,1199 31.309,1200 77.299,1201 153.064,1202 232.661,1203 287.72,1204 303.72,1205 303.72,1206 97.382,1207 6.186,1208 77.84,1209 77.84,1210 5,1211 11.711,1212 2,1213 2,1214 67.281,1215 101,1216 115,1217 0.311,1218 199.629,1219 363.14,1220 478.854,1221 3630,1223 17.786,1224 0.741,1225 0.623,1226 17.786,1227 14.953,1228 11.541,1229 0.481,1230 0.392,1231 9.331,1232 11.157,1233 9.142,1234 7.647,1235 11.541,1236 9.419,1237 9.542,1238 0.329,1239 0.231,1240 9.542,1241 6.699,1242 6.729,1243 0.21,1244 0.143,1245 6.729,1246 4.573,1247 4.92,1248 0.137,1249 0.087,1250 4.92,1251 3.115,1252 3.381,1253 0.094,1254 0.053,1255 3.381,1256 1.917,1257 0.506,1258 72.092,1259 0.257,1260 24.445,1261 0.799,1262 106,1263 307.416,1264 117.494,1265 286.876,1266 362.68,1267 264,1268 114,1269 236.745,1270 123.31,1271 233.974,1272 334.32,1273 221,1274 4.886}
{0 CHEMBL14359,1 1.397,2 12.923,3 3.12,4 9.733,5 101.814,6 6.537,7 0.222,8 4.056,9 4.178,10 3.476,11 3.564,12 5.1,13 3.515,14 4.624,15 4.81,16 3.777,17 3.951,18 5.685,19 3.856,20 4.958,21 5.211,22 3.73,23 4.069,24 5.872,25 3.929,26 4.938,27 5.198,28 3.65,29 4.021,30 5.852,31 3.866,32 4.92,33 5.185,34 3.652,35 3.974,36 5.853,37 3.827,38 4.889,39 5.151,40 3.618,41 3.933,42 5.82,43 3.794,44 4.844,45 5.103,46 3.556,47 3.885,48 5.851,49 3.738,50 4.768,51 5.031,52 3.521,53 3.84,54 5.706,55 3.696,56 0.049,57 0.727,58 12.829,59 5.608,60 12.83,61 7.535,62 0.256,63 1.185,64 23.27,65 9.106,66 46.032,67 12.882,68 0.371,69 1.447,70 33.276,71 11.545,72 67.149,73 16.718,74 0.345,75 1.385,76 32.563,77 11.491,78 71.129,79 16.563,80 0.407,81 1.338,82 32.222,83 10.983,84 71.31,85 15.926,86 0.38,87 1.291,88 31.344,89 10.402,90 70.48,91 15.091,92 0.472,93 1.227,94 30.044,95 10.02,96 91.139,97 14.514,98 0.445,99 1.156,100 27.775,101 9.394,102 65.995,103 13.626,104 24,105 34,106 0.235,107 0.543,108 0.748,109 0.871,110 0.892,111 0.892,112 3.302,113 1.053,114 -3.81,115 -3.77,116 -3.58,118 38.2,120 8,124 1,125 2,129 2,133 5,134 1,145 2,150 1,153 1,154 13,155 1,157 1,158 6,160 1,162 3,164 13,165 1,167 4,170 3,171 11,172 1,175 4,179 3,180 9,181 1,184 5,187 1,189 4,192 9,193 1,196 4,200 3,202 9,206 4,207 1,208 1,210 1,211 9,214 1,215 4,217 1,219 1,222 10,226 3,227 1,230 1,233 8,234 3,236 1252,237 17.38,238 17.38,239 17.38,240 17.38,241 17.38,242 16.137,243 18.732,244 10.869,245 17.506,246 13.354,247 13.354,248 13.354,249 13.354,250 13.354,251 11.439,252 19.031,253 5.231,254 13.563,255 4.384,256 2.547,257 1.329,258 0.596,259 0.473,260 0.473,261 3.969,264 1,265 1,266 1,267 684,268 4.123,270 88.011,271 100.079,277 2.314,278 30.786,279 1,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 56.5,289 336,290 4.141,291 3.789,292 6.471,293 3.986,294 3.027,295 3.458,296 2.341,297 10.007,298 2.899,299 3.931,300 3.596,301 5.485,302 3.609,303 2.622,304 3.277,305 1.943,306 7.394,307 2.589,308 3.55,309 2.995,310 4.988,311 3.241,312 2.235,313 2.71,314 0.765,315 5.713,316 2.223,317 3.469,318 2.764,319 4.761,320 3.141,321 2.165,322 2.611,323 0.736,324 5.184,325 2.109,326 3.063,327 2.435,328 4.659,329 2.82,330 1.816,331 2.148,332 0.079,333 5.134,334 1.811,335 2.847,336 1.905,337 4.138,338 2.764,339 1.763,340 1.908,342 3.848,343 1.758,344 2.783,345 1.638,346 3.687,347 2.408,348 1.412,349 1.793,351 3.129,352 1.405,353 2.5,354 1.521,355 3.584,356 2.346,357 1.363,358 1.5,360 3.018,361 1.334,362 2.433,363 1.159,364 3.247,365 2,366 1,367 1.408,369 2.136,370 1,371 2.138,372 1.144,373 3.184,374 1.904,375 0.914,376 0.936,378 1.968,379 0.901,380 1.953,381 1,382 3.1,383 1.643,384 0.644,385 0.854,387 1.474,388 0.639,389 1.39,390 0.662,391 2.623,392 1.251,393 0.257,394 0.274,395 0.559,396 0.254,397 1.071,398 0.525,399 2.448,400 0.848,401 -0.154,402 -0.175,403 -0.369,404 -0.152,405 0.979,406 0.252,407 2,408 0.666,409 -0.319,410 -0.366,411 -0.706,412 -0.31,413 0.558,414 0.137,415 1.962,416 0.302,417 -0.723,418 -0.778,419 -1.608,420 -0.717,421 12.233,422 0.471,423 0.527,424 0.02,425 25.25,426 0.971,427 10,428 0.385,429 15.25,430 0.587,431 25.733,432 0.99,433 30.367,434 0.552,435 17.778,436 0.684,437 4.743,438 0.182,439 7.815,440 0.301,441 0.109,443 0.237,447 0.782,448 1.323,449 0.948,450 1.203,451 0.715,452 1.117,453 0.553,454 1.341,455 1.021,456 1.28,457 0.486,458 1.23,459 0.966,460 0.997,461 1.046,462 1.002,463 0.909,464 1.025,465 0.916,466 1.031,467 1.018,468 1.037,469 0.921,470 1.043,471 0.938,472 0.968,473 0.967,474 0.967,475 0.917,476 0.971,477 1.087,478 0.962,479 1.013,480 0.955,481 1.026,482 0.965,483 1.027,484 0.983,485 1.025,486 0.959,487 1.007,488 0.988,489 0.957,490 0.876,491 0.972,492 0.872,493 1.047,494 0.919,495 4.5,496 0.118,497 2.222,498 1.479,499 0.881,500 0.476,501 0.471,502 0.24,503 0.197,504 0.215,505 8616,506 23276,507 1.974,508 52.7,509 6,510 11,513 2,514 4,515 6,517 1.687,518 1.857,519 3.626,520 0.213,521 1,522 1,525 76.855,526 1.397,527 3.235,528 4.452,529 5.186,530 5.309,531 5.309,532 3.109,533 4.239,534 4.665,535 3.848,536 1250.6,537 8.067,538 17109.4,540 1,541 1,542 317.975,543 1.335,544 4.634,545 0.167,546 0.005,547 0.065,548 0.048,549 0.031,550 0.017,551 0.017,552 0.01,553 0.008,554 0.009,555 0.377,556 0.33,557 0.88,558 1.862,559 131.831,560 -0.061,561 -0.044,562 0.004,563 0.026,564 -0.054,565 0.023,566 0.142,567 -0.164,568 -0.074,569 -0.166,570 0.128,571 -0.159,572 -0.096,573 0.019,574 -0.079,575 -0.016,576 -0.076,577 -0.037,578 -0.066,579 -0.05,580 -0.058,581 -0.05,582 -0.057,583 -0.052,584 -0.021,586 0.005,587 -0.002,588 -0.035,589 0.004,590 -0.095,591 0.01,592 -0.027,594 -0.084,596 -0.013,597 -0.023,598 -0.039,600 -0.008,601 -0.021,602 -0.004,603 0.098,604 0.007,605 0.089,606 -0.079,607 0.051,608 2.418,609 5.081,610 0.423,611 31.036,612 0.996,613 1.13,614 2.577,615 6.643,616 0.627,617 3.332,618 3.555,619 3.689,620 3.85,621 3.892,622 3.807,623 3.85,624 3.892,625 3.892,626 3.97,627 7.646,628 0.586,629 359.51,630 3.332,631 4.812,632 5.595,633 6.415,634 7.219,635 8.047,636 8.863,637 9.697,638 10.521,639 11.359,640 1.8,644 1,651 5,656 1,658 6,670 55,671 9,672 1,673 27,675 56,676 21,677 6,678 1,679 5,681 2,682 2,688 3,691 10,693 10,694 11,696 3,698 2,699 2,701 2,703 1,704 1,707 29,708 5,709 2,710 5,714 1,717 1,718 4,719 1,730 1,731 1,738 1,739 1,741 2,746 2,748 2,756 26,759 2,760 9,764 2,765 1,773 7.3,774 1,775 1,776 2,779 14,780 9.183,781 5.972,782 3.569,785 1.566,786 1.236,787 0.877,788 8.694,789 8.186,790 3.526,791 3.902,792 4.201,793 4.539,794 4.863,795 4.699,796 4.859,797 5.051,798 5.191,799 5.435,800 0.889,801 31,802 9.7,803 4.018,804 7.929,805 18.634,806 15.125,807 2.429,808 63.167,811 1,812 317.82,813 97.516,814 3.124,816 135.657,819 97.516,820 453.476,821 3.124,823 25.506,824 109.017,825 98.588,826 3.186,828 317.82,830 317.82,831 100.64,832 135.657,835 247.193,836 163.6,837 42.683,839 25.506,840 56.181,841 18.952,843 317.82,844 138.781,845 97.516,848 317.82,849 31.182,850 69.458,852 135.657,853 317.82,854 138.781,855 97.516,857 0.557,858 0.296,859 0.152,860 0.077,861 12,862 6,863 0.196,864 11,866 1,867 3.969,868 186.861,870 11,871 118.211,874 20.506,875 11.024,876 7.547,878 138.781,879 9.855,884 1.088,886 85.367,887 554.116,888 33,890 22.57,891 3.763,893 -0.582,895 54.781,896 62.149,897 0.242,898 0.56,899 0.77,900 0.897,901 0.918,902 0.918,903 4.723,904 1.363,905 5.525,906 3.129,907 4.234,908 4.585,909 2.888,910 6.209,911 4.201,912 5.836,913 1,914 7.004,915 3.018,916 3.611,917 4.034,918 2.619,919 6.899,920 3.521,921 7.064,922 0.914,923 8.586,924 2.136,925 5.694,926 6.422,927 4.048,928 9.961,929 5.611,930 8.321,931 0.644,932 10.233,933 1.968,934 5.916,935 6.637,936 4.42,937 11.598,938 5.756,939 9.61,940 0.257,941 11.928,942 1.474,943 7.439,944 8.533,945 5.497,946 14.156,947 7.286,948 10.921,949 -0.154,950 13.657,951 0.559,952 8.09,953 9.11,954 6.119,955 16.19,956 7.856,957 12.249,958 -0.319,959 15.414,960 -0.369,961 9.366,962 10.786,963 7.058,964 18.579,965 9.127,966 3.027,967 -0.723,968 17.193,969 -0.706,970 10.24,971 11.56,972 7.792,973 20.774,974 9.925,975 2.622,976 10.007,977 18.988,978 -1.608,979 11.406,980 13.114,981 8.673,982 23.104,983 11.073,984 2.235,985 7.394,986 20.798,987 3.458,988 12.393,989 14.01,990 9.462,991 25.363,992 11.993,993 2.165,994 5.713,995 22.618,996 3.277,997 13.514,998 15.485,999 10.319,1000 27.674,1001 13.083,1002 1.816,1003 5.184,1004 24.447,1005 2.71,1006 14.557,1007 16.464,1008 11.135,1009 29.958,1010 14.067,1011 1.763,1012 5.134,1013 26.284,1014 2.611,1015 15.661,1016 17.882,1017 11.983,1018 32.264,1019 15.133,1020 1.412,1021 3.848,1022 28.126,1023 2.148,1024 16.732,1025 18.92,1026 12.814,1027 34.558,1028 16.15,1029 8698,1030 14363,1031 17.682,1032 34.483,1033 39.066,1034 39.555,1035 39.413,1036 38.496,1037 38.436,1038 45.753,1039 11.727,1040 99.127,1041 37.845,1042 5.118,1043 5.789,1044 6.295,1045 4.995,1046 5.027,1047 6.458,1048 3.925,1049 16.517,1050 4.899,1051 13.674,1052 1.447,1053 1.465,1054 1.46,1055 1.426,1056 1.424,1057 1.695,1058 0.434,1059 3.671,1060 1.402,1061 3.967,1062 4.009,1063 3.882,1064 3.881,1065 7.474,1066 3.874,1067 3.884,1068 3.924,1069 3.802,1070 3.762,1071 7.427,1072 3.765,1073 3.745,1074 3.797,1075 3.61,1076 3.611,1077 6.451,1078 3.599,1079 3.565,1080 3.605,1081 3.456,1082 3.418,1083 6.351,1084 3.42,1085 3.489,1086 3.535,1087 3.354,1088 3.309,1089 4.748,1090 3.308,1091 3.171,1092 3.228,1093 2.999,1094 2.993,1095 4.393,1096 2.983,1097 3.131,1098 3.185,1099 2.992,1100 2.927,1101 4.132,1102 2.935,1103 2.854,1104 2.925,1105 2.698,1106 2.735,1107 3.937,1108 2.715,1109 0.153,1110 0.14,1111 0.24,1112 0.148,1113 0.112,1114 4.141,1115 0.128,1116 3.789,1117 0.087,1118 6.471,1119 0.371,1120 3.986,1121 0.107,1122 3.027,1123 3.458,1124 2.341,1125 10.007,1126 2.899,1127 1.926,1128 1.897,1129 2.059,1130 2.014,1131 1.377,1132 2.031,1133 1.787,1134 1.731,1135 2.021,1136 1.956,1137 1.257,1138 1.979,1139 1.706,1140 1.661,1141 1.9,1142 1.853,1143 1.178,1144 1.869,1145 1.554,1146 1.505,1147 1.788,1148 1.77,1149 1.086,1150 1.773,1151 1.474,1152 1.423,1153 1.716,1154 1.669,1155 0.904,1156 1.684,1157 1.311,1158 1.264,1159 1.537,1160 1.56,1161 0.772,1162 1.55,1163 1.084,1164 1.025,1165 1.385,1166 1.34,1167 0.597,1168 1.349,1169 0.922,1170 0.867,1171 1.202,1172 1.166,1173 0.351,1174 1.185,1175 4.007,1177 5.252,1178 2.398,1179 6.661,1180 4.727,1181 8.148,1182 6.783,1183 9.681,1189 18.823,1190 6.245,1194 -0.488,1195 1.892,1199 32.256,1200 76.855,1201 177.911,1202 244.881,1203 285.22,1204 291.975,1205 291.975,1206 76.508,1207 6.62,1208 77.84,1209 77.84,1210 11,1211 11.929,1212 3.322,1213 2.807,1214 55.262,1215 115,1216 123,1217 0.223,1218 202.638,1219 366.56,1220 486.196,1221 6752,1223 18.778,1224 0.722,1225 0.585,1226 18.778,1227 15.218,1228 12.559,1229 0.465,1230 0.351,1231 9.389,1232 12.175,1233 9.223,1234 7.638,1235 12.559,1236 9.476,1237 10.786,1238 0.317,1239 0.203,1240 10.786,1241 6.893,1242 7.889,1243 0.202,1244 0.122,1245 7.889,1246 4.757,1247 6.143,1248 0.134,1249 0.073,1250 6.143,1251 3.338,1252 4.425,1253 0.092,1254 0.044,1255 4.425,1256 2.108,1257 0.364,1258 78.198,1259 0.238,1260 26.077,1261 0.575,1262 122,1263 355.416,1264 133.494,1265 337.54,1266 434.77,1267 312,1268 134,1269 290.745,1270 143.31,1271 291.215,1272 416.12,1273 275,1274 4.886}
{0 CHEMBL14439,1 1.502,2 13.667,3 2.686,4 7.215,5 109.984,6 6.992,7 0.214,8 4.075,9 4.191,10 3.602,11 3.627,12 5.119,13 3.555,14 4.638,15 4.813,16 3.883,17 4.013,18 5.7,19 3.889,20 4.943,21 5.181,22 3.841,23 4.114,24 5.874,25 3.954,26 4.922,27 5.168,28 3.825,29 4.059,30 5.862,31 3.893,32 4.907,33 5.169,34 3.729,35 4.015,36 5.796,37 3.85,38 4.896,39 5.149,40 3.732,41 3.991,42 5.829,43 3.836,44 4.882,45 5.141,46 3.771,47 3.966,48 5.881,49 3.785,50 4.758,51 5.02,52 3.599,53 3.877,54 5.652,55 3.712,56 0.046,57 0.75,58 13.412,59 6.03,60 12.974,61 7.651,62 0.267,63 1.246,64 27.174,65 10.337,66 46.123,67 13.287,68 0.379,69 1.507,70 37.411,71 12.845,72 65.669,73 16.86,74 0.394,75 1.436,76 37.027,77 12.519,78 69.647,79 16.605,80 0.361,81 1.408,82 35.306,83 12.017,84 58.797,85 16.52,86 0.36,87 1.357,88 33.141,89 11.602,90 70.056,91 15.69,92 0.517,93 1.339,94 35.858,95 11.791,96 93.275,97 15.518,98 0.352,99 1.221,100 32.578,101 10.6,102 58.174,103 13.919,104 25,105 35,106 0.251,107 0.568,108 0.788,109 0.886,110 0.894,111 0.894,112 3.338,113 1.147,114 -3.81,115 -3.77,116 -3.58,118 37.5,120 6,124 3,125 2,129 2,133 5,134 1,145 2,150 1,153 1,154 10,155 1,157 1,158 6,160 1,162 3,164 12,167 3,170 2,171 10,172 1,175 3,179 3,180 9,184 4,187 1,189 3,192 10,193 1,196 2,200 3,202 6,203 1,206 6,208 1,210 2,211 8,215 3,216 1,219 1,222 7,225 1,226 4,228 1,233 9,236 1412,237 18.087,238 18.087,239 18.087,240 18.087,241 18.087,242 16.844,243 19.791,244 11.369,245 18.453,246 13.854,247 13.854,248 13.854,249 13.854,250 13.854,251 11.939,252 19.634,253 5.481,254 14.405,255 4.306,256 2.414,257 1.096,258 0.513,259 0.464,260 0.464,261 4.006,265 1,266 1,267 751,268 4.243,270 92.436,271 104.773,277 2.494,278 30.819,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 58.5,289 369,290 4.141,291 4.21,292 6.471,293 3.986,294 3.027,295 3.458,296 2.95,297 10.007,298 2.899,299 3.931,300 3.789,301 5.485,302 3.609,303 2.622,304 3.277,305 2.341,306 7.394,307 2.589,308 3.55,309 3.584,310 4.988,311 3.226,312 2.236,313 2.71,314 1.943,315 5.713,316 2.19,317 3.469,318 2.995,319 4.761,320 3.142,321 2.165,322 2.611,323 0.765,324 5.184,325 2.109,326 3.063,327 2.764,328 4.659,329 2.82,330 1.827,331 2.148,332 0.736,333 5.134,334 1.811,335 2.864,336 2.441,337 4.139,338 2.757,339 1.803,340 1.911,341 0.079,342 3.878,343 1.709,344 2.808,345 2.425,346 3.761,347 2.409,348 1.463,349 1.833,351 3.31,352 1.403,353 2.518,354 1.815,355 3.585,356 2.354,357 1.407,358 1.502,360 3.02,361 1.279,362 2.5,363 1.524,364 3.308,365 2.014,366 1.075,367 1.5,369 2.337,370 1,371 2.166,372 1.158,373 3.247,374 2,375 1,376 1.096,378 2.136,379 0.985,380 2.094,381 1.137,382 3.133,383 1.674,384 0.678,385 0.873,387 1.528,388 0.669,389 1.607,390 1,391 2.796,392 1.456,393 0.503,394 0.542,395 1.086,396 0.47,397 1.197,398 0.874,399 2.513,400 0.958,401 -0.01,402 -0.011,403 -0.023,404 -0.01,405 1.017,406 0.548,407 2.209,408 0.744,409 -0.213,410 -0.243,411 -0.498,412 -0.202,413 0.804,414 0.224,415 2,416 0.53,417 -0.457,418 -0.517,419 -1.001,420 -0.437,421 13.067,422 0.484,423 0.527,424 0.02,425 25.75,426 0.954,427 10,428 0.37,429 15.75,430 0.583,431 28.37,432 1.051,433 31.333,434 0.56,435 17.169,436 0.636,437 4.452,438 0.165,439 8.606,440 0.319,441 0.102,443 0.222,447 0.783,448 1.241,449 0.863,450 1.062,451 0.716,452 1.067,453 0.585,454 1.332,455 1.211,456 1.329,457 0.495,458 1.228,459 1.018,460 1.02,461 1.137,462 1.052,463 0.948,464 1.049,465 0.923,466 1.051,467 0.995,468 1.065,469 0.947,470 1.057,471 0.749,472 1.008,473 0.916,474 1.001,475 0.718,476 0.984,477 1.061,478 0.962,479 0.845,480 0.875,481 1.035,482 0.977,483 0.99,484 0.929,485 0.94,486 0.904,487 0.981,488 0.936,489 0.992,490 0.915,491 1.121,492 0.971,493 0.944,494 0.887,495 4.5,496 0.158,497 2.222,498 1.479,499 0.881,500 0.476,501 0.471,502 0.272,503 0.197,504 0.144,505 9775,506 28093,507 1.975,508 51.8,510 15,513 2,514 4,515 8,517 1.696,518 1.862,519 3.702,520 0.231,521 1,522 1,525 84.092,526 1.502,527 3.393,528 4.711,529 5.294,530 5.343,531 5.343,532 3.222,533 4.208,534 4.719,535 3.933,536 1380.58,537 8.171,538 19667.7,540 1,541 1,542 325.212,543 1.311,544 4.691,545 0.161,546 0.007,547 0.063,548 0.046,549 0.03,550 0.016,551 0.017,552 0.01,553 0.008,554 0.006,555 0.365,556 0.33,557 0.88,558 1.993,559 139.285,560 -0.062,561 -0.021,562 0.038,563 0.064,564 -0.055,565 0.032,566 0.125,567 -0.164,568 -0.137,569 -0.179,570 0.124,571 -0.166,572 -0.119,573 0.008,574 -0.12,575 -0.039,576 -0.089,577 -0.059,578 -0.045,579 -0.065,580 -0.021,581 -0.076,582 -0.055,583 -0.066,584 0.033,585 -0.038,586 0.008,587 -0.05,588 0.012,589 0.001,590 -0.086,591 -0.016,592 0.007,593 0.012,594 -0.085,595 -0.017,596 0.013,597 0.024,598 0.068,599 0.066,600 0.006,601 0.031,602 -0.09,603 0.08,604 -0.039,605 0.054,606 -0.073,607 0.095,608 2.422,609 5.121,610 0.407,611 34.277,612 0.997,613 1.126,614 2.577,615 6.643,616 0.645,617 3.367,618 3.584,619 3.714,620 3.871,621 3.912,622 3.829,623 3.871,624 3.912,625 3.892,626 3.97,627 8.061,628 0.597,629 391.58,630 3.367,631 4.844,632 5.624,633 6.441,634 7.242,635 8.067,636 8.881,637 9.712,638 10.534,639 11.371,640 1.8,644 1,651 5,656 1,658 6,670 56,671 9,672 1,673 28,675 57,676 21,677 6,678 1,679 5,681 2,682 2,688 3,691 8,693 10,694 11,696 3,698 2,699 2,701 2,704 1,707 29,708 5,709 2,710 6,711 1,714 1,717 1,718 4,719 1,730 1,731 1,738 1,739 1,741 2,746 2,748 2,749 1,750 1,756 27,759 2,760 9,763 1,764 2,765 1,773 7.1,774 1,775 1,776 2,779 14.5,780 9.35,781 6.222,782 3.486,785 1.553,786 1.232,787 0.88,788 9.782,789 8.241,790 3.555,791 3.922,792 4.216,793 4.55,794 4.871,795 4.708,796 4.867,797 5.057,798 5.185,799 5.418,800 1,801 32,802 10.069,803 4.153,804 7.907,805 19.372,806 15.664,807 2.407,808 65,811 1,812 317.82,813 126.466,814 3.124,816 135.657,818 32.22,819 94.246,820 453.476,821 3.124,823 22.237,824 109.017,825 98.588,826 3.186,828 350.039,830 317.82,831 97.37,832 135.657,833 32.22,835 223.651,836 187.142,837 42.683,839 22.237,840 56.181,841 18.952,842 32.22,843 317.82,844 138.781,845 126.466,848 317.82,849 60.132,850 69.458,852 135.657,853 317.82,854 138.781,855 126.466,857 0.555,858 0.294,859 0.151,860 0.076,861 12,862 6,863 0.211,864 12,866 1,867 4.089,868 195.116,870 11,871 124.382,872 1,874 21.841,875 12.093,876 8.397,878 138.781,879 9.873,884 1.092,886 85.367,887 583.066,888 34,890 22.585,891 3.783,893 -0.574,895 55.858,896 63.069,897 0.259,898 0.584,899 0.811,900 0.912,901 0.92,902 0.92,903 4.749,904 1.407,905 5.549,906 3.31,907 4.263,908 4.605,909 3.566,910 6.225,911 4.198,912 5.856,913 1.075,914 7.022,915 3.02,916 3.611,917 4.034,918 2.619,919 6.899,920 3.521,921 7.08,922 1,923 8.599,924 2.337,925 5.714,926 6.432,927 5.341,928 9.965,929 5.591,930 8.333,931 0.678,932 10.242,933 2.136,934 5.916,935 6.637,936 4.42,937 11.598,938 5.756,939 9.62,940 0.503,941 11.934,942 1.528,943 7.451,944 8.537,945 7.354,946 14.156,947 7.264,948 10.928,949 -0.01,950 13.661,951 1.086,952 8.09,953 9.11,954 6.119,955 16.19,956 7.854,957 12.254,958 -0.213,959 15.417,960 -0.023,961 9.372,962 10.787,963 9.444,964 18.579,965 9.109,966 3.027,967 -0.457,968 17.194,969 -0.498,970 10.24,971 11.56,972 7.792,973 20.774,974 9.922,975 2.622,976 10.007,977 18.989,978 -1.001,979 11.409,980 13.115,981 11.568,982 23.104,983 11.06,984 2.236,985 7.394,986 20.798,987 3.458,988 12.393,989 14.01,990 9.462,991 25.363,992 11.989,993 2.165,994 5.713,995 22.618,996 3.277,997 13.515,998 15.485,999 13.709,1000 27.674,1001 13.075,1002 1.827,1003 5.184,1004 24.448,1005 2.71,1006 14.557,1007 16.464,1008 11.135,1009 29.958,1010 14.064,1011 1.803,1012 5.134,1013 26.284,1014 2.611,1015 15.661,1016 17.882,1017 15.859,1018 32.264,1019 15.128,1020 1.463,1021 3.878,1022 28.126,1023 2.148,1024 16.732,1025 18.92,1026 12.814,1027 34.558,1028 16.148,1029 9855,1030 16790,1031 18.375,1032 36.131,1033 40.28,1034 43.626,1035 40.692,1036 39.664,1037 39.61,1038 46.919,1039 17.627,1040 101.451,1041 38.228,1042 5.122,1043 6.21,1044 6.334,1045 5.063,1046 5.027,1047 6.458,1048 5.9,1049 16.517,1050 4.899,1051 14.112,1052 1.439,1053 1.558,1054 1.453,1055 1.417,1056 1.415,1057 1.676,1058 0.63,1059 3.623,1060 1.365,1061 3.965,1062 4.006,1063 3.92,1064 3.881,1065 7.474,1066 3.874,1067 3.882,1068 3.922,1069 3.857,1070 3.762,1071 7.427,1072 3.763,1073 3.686,1074 3.726,1075 3.793,1076 3.617,1077 6.451,1078 3.554,1079 3.581,1080 3.622,1081 3.464,1082 3.432,1083 6.351,1084 3.428,1085 3.527,1086 3.571,1087 3.418,1088 3.366,1089 4.748,1090 3.363,1091 3.169,1092 3.227,1093 3.227,1094 3.023,1095 4.393,1096 2.984,1097 3.131,1098 3.185,1099 2.997,1100 2.992,1101 4.112,1102 2.973,1103 2.926,1104 2.975,1105 2.745,1106 2.735,1107 3.932,1108 2.715,1109 0.148,1110 0.15,1111 0.231,1112 0.142,1113 0.108,1114 4.141,1115 0.123,1116 4.21,1117 0.105,1118 6.471,1119 0.357,1120 3.986,1121 0.104,1122 3.027,1123 3.458,1124 2.95,1125 10.007,1126 2.899,1127 1.926,1128 1.897,1129 2.059,1130 2.014,1131 1.32,1132 2.031,1133 1.754,1134 1.703,1135 1.954,1136 1.917,1137 1.247,1138 1.936,1139 1.677,1140 1.633,1141 1.881,1142 1.817,1143 1.173,1144 1.846,1145 1.561,1146 1.521,1147 1.763,1148 1.767,1149 1.081,1150 1.773,1151 1.487,1152 1.438,1153 1.723,1154 1.683,1155 0.916,1156 1.695,1157 1.347,1158 1.295,1159 1.568,1160 1.574,1161 0.829,1162 1.579,1163 1.096,1164 1.038,1165 1.389,1166 1.299,1167 0.634,1168 1.34,1169 0.922,1170 0.876,1171 1.186,1172 1.181,1173 0.352,1174 1.185,1175 4.043,1177 5.283,1178 2.398,1179 6.686,1180 4.727,1181 8.168,1182 6.783,1183 9.697,1189 18.824,1190 6.33,1193 1.649,1194 -0.474,1195 1.91,1199 33.443,1200 84.092,1201 190.002,1202 263.828,1203 296.457,1204 299.212,1205 299.212,1206 80.294,1207 6.688,1208 77.84,1209 103.14,1210 11,1211 11.943,1212 3.322,1213 2.807,1214 58.757,1215 126,1216 137,1217 0.216,1218 213.769,1219 385.07,1220 513.355,1221 7531,1223 19.485,1224 0.722,1225 0.609,1226 19.838,1227 16.443,1228 13.059,1229 0.466,1230 0.382,1231 9.567,1232 12.151,1233 9.273,1234 7.633,1235 13.559,1236 10.708,1237 11.14,1238 0.318,1239 0.229,1240 11.67,1241 8.023,1242 8.139,1243 0.203,1244 0.142,1245 8.616,1246 5.686,1247 6.32,1248 0.134,1249 0.087,1250 6.861,1251 4.106,1252 4.55,1253 0.093,1254 0.053,1255 4.921,1256 2.617,1257 0.354,1258 86.198,1259 0.233,1260 27.046,1261 0.55,1262 126,1263 374.276,1264 156.436,1265 374.688,1266 479.89,1267 348,1268 138,1269 304.116,1270 160.672,1271 312.993,1272 448.2,1273 295,1274 4.886}
{0 CHEMBL14530,1 1.36,2 12.2,3 3.404,4 11.586,5 98.192,6 6.061,8 4.102,9 4.235,10 3.455,11 3.579,12 5.043,13 3.517,14 4.727,15 4.93,16 3.772,17 4.008,18 5.674,19 3.891,20 5.1,21 5.375,22 3.758,23 4.155,24 5.909,25 3.99,26 5.09,27 5.369,28 3.654,29 4.097,30 5.94,31 3.919,32 5.014,33 5.302,34 3.603,35 4.002,36 5.862,37 3.829,38 4.919,39 5.192,40 3.59,41 3.941,42 5.771,43 3.788,44 4.903,45 5.17,46 3.595,47 3.937,48 5.838,49 3.786,50 4.902,51 5.173,52 3.534,53 3.943,54 5.748,55 3.771,56 0.061,57 0.771,58 14.439,59 6.053,60 10.48,61 8.399,62 0.288,63 1.274,64 26.598,65 10.072,66 43.882,67 14.617,68 0.393,69 1.554,70 37.563,71 12.752,72 57.619,73 19.06,74 0.445,75 1.47,76 37.189,77 12.379,78 71.577,79 18.44,80 0.466,81 1.346,82 34.448,83 11.227,84 66.243,85 16.854,86 0.375,87 1.26,88 31.544,89 10.206,90 57.014,91 15.329,92 0.489,93 1.256,94 31.295,95 9.99,96 78.438,97 15.053,98 0.452,99 1.252,100 30.985,101 10.385,102 54.292,103 15.46,104 24,105 33,106 0.228,107 0.451,108 0.659,109 0.818,110 0.874,111 0.874,112 3.265,113 1.148,114 -3.84,115 -3.8,116 -3.61,118 34.5,120 12,121 1,124 1,125 2,129 2,145 2,150 1,153 1,154 12,155 1,157 1,158 6,160 1,162 3,164 11,165 1,167 4,170 4,171 10,172 1,175 4,179 3,180 9,181 1,184 5,187 1,189 3,192 8,193 1,196 5,200 2,202 8,206 4,207 1,208 1,210 1,211 9,214 1,215 4,217 1,219 1,222 10,226 2,227 1,230 1,233 7,234 3,236 1099,237 16.725,238 16.725,239 16.725,240 16.725,241 16.725,242 16.233,243 16.441,244 10.388,245 16.844,246 12.832,247 12.832,248 12.832,249 12.832,250 12.832,251 11.957,252 17.869,253 4.959,254 13.034,255 4.498,256 3.174,257 1.932,258 0.987,259 0.655,260 0.655,261 3.93,265 1,266 1,267 621,268 4,270 83.218,271 93.3,277 2.208,278 31.222,280 1,281 0.83,282 0.83,283 1,284 1,285 1,286 1,287 0.95,288 54.5,289 305,290 4.143,291 3.789,292 6.472,293 3.988,294 3.029,295 3.281,296 2.341,297 10.008,298 2.903,299 3.818,300 3.596,301 6.017,302 3.755,303 2.776,304 2.87,305 1.943,306 8.536,307 2.715,308 3.55,309 3.064,310 4.956,311 3.241,312 2.235,313 2.71,314 0.765,315 5.444,316 2.223,317 3.245,318 2.757,319 4.659,320 2.955,321 1.951,322 2.302,323 0.736,324 5.184,325 1.954,326 2.86,327 2.033,328 4.294,329 2.765,330 1.764,331 1.849,332 0.079,333 4.153,334 1.76,335 2.773,336 1.889,337 4.128,338 2.724,339 1.732,340 1.77,342 3.838,343 1.708,344 2.461,345 1.633,346 3.687,347 2.352,348 1.368,349 1.422,351 3.127,352 1.34,353 2.307,354 1.279,355 3.495,356 2.138,357 1.146,358 1.238,360 2.654,361 1.134,362 2,363 1.157,364 3.247,365 2,366 1,367 1,369 2.136,370 1,371 1.954,372 1.09,373 3.166,374 1.903,375 0.913,376 0.931,378 1.965,379 0.9,380 1.802,381 1,382 2.973,383 1.509,384 0.523,385 0.623,387 1.171,388 0.51,389 1.37,390 0.65,391 2.563,392 1.209,393 0.226,394 0.244,395 0.487,396 0.22,397 1.015,398 0.486,399 2.192,400 0.738,401 -0.276,402 -0.311,403 -0.614,404 -0.275,405 0.558,406 0.252,407 2,408 0.308,409 -0.712,410 -0.731,411 -1.585,412 -0.71,413 0.325,414 -0.188,415 1.906,416 0.231,417 -0.755,418 -0.791,419 -1.627,420 -0.728,421 11.733,422 0.469,423 0.511,424 0.02,425 18.75,426 0.75,427 4,428 0.16,429 14.75,430 0.59,431 29.852,432 1.194,433 30.867,434 0.532,435 11.659,436 0.466,437 2.755,438 0.11,439 9.32,440 0.373,441 0.114,443 0.247,447 0.78,448 1.459,449 1.029,450 1.34,451 0.696,452 1.239,453 0.525,454 1.424,455 1.062,456 1.368,457 0.445,458 1.305,459 0.854,460 1.034,461 0.993,462 1.037,463 0.793,464 1.031,465 1,466 1.013,467 1.032,468 1.018,469 0.986,470 1.029,471 0.941,472 0.929,473 0.947,474 0.925,475 0.929,476 0.936,477 1.04,478 1.015,479 0.996,480 0.981,481 0.994,482 0.978,483 1.017,484 0.995,485 1.038,486 0.965,487 0.94,488 0.993,489 0.888,490 1.004,491 1.045,492 1.029,493 0.937,494 1.058,495 4,496 0.106,497 2.667,498 1.479,499 0.681,500 0.566,501 0.457,502 0.251,503 0.18,504 0.191,505 7541,506 17708,507 1.973,508 56.9,509 16,510 6,513 2,514 4,515 5,517 1.676,518 1.852,519 3.551,520 0.233,522 1,525 78.859,526 1.36,527 2.684,528 3.926,529 4.871,530 5.203,531 5.203,532 3.068,533 4.134,534 4.609,535 3.768,536 1130.5,537 7.955,538 14812.9,540 1,541 1,542 339.763,543 1.359,544 4.575,545 0.154,546 0.006,547 0.081,548 0.048,549 0.025,550 0.022,551 0.018,552 0.01,553 0.008,554 0.009,555 0.379,556 0.33,557 1,558 1.909,559 124.489,560 -0.053,561 -0.053,562 0.009,563 0.021,564 -0.033,565 0.021,566 0.141,567 -0.182,568 -0.074,569 -0.178,570 0.136,571 -0.165,572 -0.052,573 -0.011,574 -0.034,575 -0.032,576 -0.031,577 -0.028,578 -0.082,579 -0.038,580 -0.065,581 -0.036,582 -0.075,583 -0.046,584 -0.024,585 0.029,586 0.018,587 0.032,588 -0.051,589 0.031,590 -0.079,591 -0.019,592 -0.013,593 -0.002,594 -0.077,595 0.003,596 -0.019,597 0.021,598 -0.042,599 0.014,600 0.013,601 -0.013,602 0.001,603 0.01,604 -0.073,605 -0.034,606 -0.048,607 -0.063,608 2.406,609 5.092,610 0.44,611 27.795,612 0.992,613 1.138,614 2.613,615 6.829,616 0.604,617 3.296,618 3.526,619 3.689,620 3.829,621 3.871,622 3.807,623 3.871,624 3.892,625 3.932,626 3.97,627 7.258,628 0.557,629 351.54,630 3.296,631 4.779,632 5.572,633 6.395,634 7.21,635 8.041,636 8.868,637 9.705,638 10.539,639 11.381,640 1.7,644 1,670 58,671 3,673 26,675 59,676 20,681 2,682 2,688 8,689 1,691 14,693 4,694 16,695 1,696 3,698 2,699 2,701 2,704 1,707 33,708 5,709 2,710 5,714 1,717 1,718 4,719 1,730 1,731 1,738 1,739 1,741 2,746 2,748 2,756 25,759 2,760 13,764 3,765 1,773 6.9,774 1,775 1,776 2,779 13.5,780 9.6,781 5.75,782 4.111,785 0.603,786 1.092,787 0.863,788 8.806,789 7.162,790 3.401,791 3.689,792 3.892,793 4.094,794 4.248,795 4.304,796 4.443,797 4.543,798 4.595,799 4.673,800 1,801 31,802 9.397,803 3.937,804 7.853,805 18.455,806 15.52,807 2.353,808 58.833,810 1,811 1,812 364.904,813 57.087,814 3.124,816 135.657,819 57.087,820 500.561,821 3.124,823 35.644,824 61.636,825 98.588,828 364.904,830 364.904,831 60.211,832 135.657,835 306.049,836 151.829,837 42.683,839 35.644,840 5.615,841 18.952,843 364.904,844 138.781,845 57.087,848 364.904,849 38.135,850 22.077,852 135.657,853 364.904,854 138.781,855 57.087,857 0.559,858 0.306,859 0.153,860 0.075,861 12,862 6,863 0.169,864 10,866 1,867 3.842,868 179.094,870 11,871 112.096,874 20.288,875 10.851,876 7.009,878 138.781,886 85.367,887 560.772,888 29,890 22.579,891 3.952,893 -0.538,895 57.549,896 65.979,897 0.232,898 0.458,899 0.67,900 0.832,901 0.888,902 0.888,903 4.625,904 1.146,905 5.509,906 3.127,907 4.205,908 4.369,909 2.888,910 6.217,911 4.17,912 5.704,913 1,914 7.008,915 2.654,916 3.611,917 3.892,918 2.619,919 6.986,920 3.521,921 6.926,922 0.913,923 8.615,924 2.136,925 5.687,926 6.028,927 4.048,928 10.05,929 5.6,930 8.175,931 0.523,932 10.29,933 1.965,934 5.969,935 6.399,936 4.42,937 11.746,938 5.806,939 9.462,940 0.226,941 12.013,942 1.171,943 7.476,944 7.978,945 5.497,946 14.299,947 7.316,948 10.773,949 -0.276,950 13.77,951 0.487,952 8.181,953 8.742,954 6.119,955 16.35,956 7.943,957 12.102,958 -0.712,959 15.551,960 -0.614,961 9.446,962 10.091,963 7.058,964 18.731,965 9.201,966 3.029,967 -0.755,968 17.349,969 -1.585,970 10.355,971 11.049,972 7.792,973 20.921,974 10.041,975 2.776,976 10.008,977 19.16,978 -1.627,979 11.517,980 12.297,981 8.673,982 23.241,983 11.182,984 2.235,985 8.536,986 20.981,987 3.281,988 12.523,989 13.354,990 9.462,991 25.488,992 12.128,993 1.951,994 5.444,995 22.809,996 2.87,997 13.641,998 14.558,999 10.319,1000 27.787,1001 13.217,1002 1.764,1003 5.184,1004 24.643,1005 2.71,1006 14.692,1007 15.668,1008 11.135,1009 30.059,1010 14.215,1011 1.732,1012 4.153,1013 26.481,1014 2.302,1015 15.794,1016 16.854,1017 11.983,1018 32.353,1019 15.281,1020 1.368,1021 3.838,1022 28.322,1023 1.849,1024 16.867,1025 17.993,1026 12.814,1027 34.637,1028 16.306,1029 7640,1030 11800,1031 16.989,1032 35.006,1033 37.799,1034 38.407,1035 38.394,1036 37.356,1037 37.325,1038 40.482,1039 11.727,1040 97.405,1041 36.733,1042 5.143,1043 5.789,1044 6.296,1045 4.997,1046 5.029,1047 5.67,1048 3.925,1049 16.53,1050 4.903,1051 13.271,1052 1.454,1053 1.477,1054 1.477,1055 1.437,1056 1.436,1057 1.557,1058 0.451,1059 3.746,1060 1.413,1061 3.964,1062 4.013,1063 3.864,1064 3.839,1065 7.474,1066 3.835,1067 3.854,1068 3.909,1069 3.73,1070 3.721,1071 7.427,1072 3.716,1073 3.743,1074 3.796,1075 3.609,1076 3.607,1077 6.45,1078 3.596,1079 3.522,1080 3.568,1081 3.39,1082 3.363,1083 6.351,1084 3.361,1085 3.468,1086 3.514,1087 3.337,1088 3.299,1089 4.409,1090 3.297,1091 3.171,1092 3.228,1093 2.994,1094 2.947,1095 4.222,1096 2.936,1097 3.111,1098 3.206,1099 2.951,1100 2.941,1101 4.126,1102 2.933,1103 3.106,1104 3.17,1105 2.866,1106 2.927,1107 3.91,1108 2.91,1109 0.159,1110 0.146,1111 0.249,1112 0.153,1113 0.116,1114 4.143,1115 0.126,1116 3.789,1117 0.09,1118 6.472,1119 0.385,1120 3.988,1121 0.112,1122 3.029,1123 3.281,1124 2.341,1125 10.008,1126 2.903,1127 1.905,1128 1.858,1129 2.114,1130 2.042,1131 1.51,1132 2.069,1133 1.784,1134 1.726,1135 2.021,1136 1.956,1137 1.376,1138 1.979,1139 1.683,1140 1.632,1141 1.893,1142 1.842,1143 1.219,1144 1.859,1145 1.554,1146 1.505,1147 1.787,1148 1.766,1149 1.086,1150 1.772,1151 1.444,1152 1.393,1153 1.69,1154 1.648,1155 0.968,1156 1.66,1157 1.286,1158 1.234,1159 1.527,1160 1.537,1161 0.825,1162 1.532,1163 1.153,1164 1.064,1165 1.513,1166 1.376,1167 0.797,1168 1.429,1169 1.079,1170 1.015,1171 1.396,1172 1.338,1173 0.626,1174 1.351,1175 3.97,1177 5.22,1178 2.398,1179 6.642,1180 4.727,1181 8.146,1182 6.783,1183 9.697,1189 18.995,1190 11.798,1194 0.114,1195 1.932,1199 32.309,1200 78.859,1201 155.662,1202 227.715,1203 282.544,1204 301.763,1205 301.763,1206 77.476,1207 6.558,1208 77.84,1209 77.84,1210 11,1211 11.947,1212 2,1213 2,1214 51.902,1215 105,1216 114,1217 0.232,1218 201.828,1219 368.08,1220 484.219,1221 6064,1223 18.071,1224 0.723,1225 0.609,1226 18.071,1227 15.237,1228 12.075,1229 0.464,1230 0.383,1231 9.866,1232 11.695,1233 9.717,1234 8.036,1235 12.075,1236 9.953,1237 10.317,1238 0.313,1239 0.228,1240 10.317,1241 7.525,1242 7.845,1243 0.201,1244 0.143,1245 7.845,1246 5.578,1247 5.95,1248 0.132,1249 0.09,1250 5.95,1251 4.033,1252 4.261,1253 0.091,1254 0.058,1255 4.261,1256 2.707,1257 0.375,1258 75.299,1259 0.243,1260 25.099,1261 0.602,1262 118,1263 319.416,1264 129.494,1265 298.924,1266 382.46,1267 276,1268 131,1269 253.745,1270 140.642,1271 251.258,1272 362.36,1273 238,1274 4.886}
{0 CHEMBL14600,1 1.654,2 13.037,3 2.929,4 8.578,5 112.381,6 7.453,7 0.379,8 4.037,9 4.167,10 3.639,11 3.574,12 5.11,13 3.519,14 4.58,15 4.761,16 3.956,17 3.957,18 5.589,19 3.862,20 4.834,21 5.075,22 3.861,23 4.043,24 5.725,25 3.895,26 4.833,27 5.08,28 3.712,29 3.994,30 5.743,31 3.839,32 4.847,33 5.105,34 3.727,35 3.954,36 5.777,37 3.815,38 4.825,39 5.082,40 3.723,41 3.932,42 5.744,43 3.79,44 4.795,45 5.055,46 3.767,47 3.903,48 5.798,49 3.734,50 4.664,51 4.93,52 3.62,53 3.805,54 5.546,55 3.657,56 0.109,57 0.806,58 11.829,59 5.114,60 13.608,61 6.568,62 0.258,63 1.271,64 24.187,65 8.414,66 25.967,67 11.388,68 0.313,69 1.394,70 32.964,71 11.026,72 43.66,73 15.105,74 0.308,75 1.34,76 32.389,77 11.125,78 52.987,79 15.053,80 0.415,81 1.333,82 32.829,83 10.332,84 56.089,85 14.568,86 0.359,87 1.291,88 30.817,89 10.131,90 55.134,91 14.07,92 0.54,93 1.258,94 33.085,95 10.469,96 78.422,97 13.913,98 0.353,99 1.148,100 30.439,101 9.439,102 41.484,103 12.543,104 5,105 37,106 0.278,107 0.623,108 0.804,109 0.879,110 0.888,111 0.888,112 3.339,113 1.062,114 -4.45,115 -4.38,116 -4.13,118 36.5,120 5,124 2,125 2,129 2,133 5,134 1,140 1,145 1,149 1,152 2,154 10,157 3,158 7,160 1,162 2,164 11,167 4,170 3,171 10,175 4,179 2,180 8,184 7,187 1,189 4,192 9,196 2,200 3,202 6,205 2,206 4,208 1,210 1,211 8,214 1,215 3,217 1,219 1,222 7,225 2,226 9,233 6,236 1355,237 18.535,238 18.535,239 18.535,240 18.535,241 18.535,242 16.878,243 18.501,244 11.521,245 18.953,246 14.354,247 14.354,248 14.354,249 14.354,250 14.354,251 11.882,252 18.834,253 5.53,254 15.043,255 4.046,256 2,257 0.921,258 0.476,259 0.423,260 0.423,261 4.023,265 1,266 1,267 749,268 3.674,270 177.795,271 102.927,277 2.337,278 23.473,280 1,281 0.83,282 0.83,283 1,284 1,285 1,286 1,287 0.95,288 58.5,289 352,290 4.141,291 4.406,292 6.471,293 3.986,294 3.027,295 3.479,296 2.95,297 10.007,298 2.899,299 3.931,300 3.789,301 5.485,302 3.609,303 2.622,304 3.458,305 1.943,306 7.394,307 2.589,308 3.92,309 2.995,310 5.352,311 3.415,312 2.542,313 3.277,314 0.765,315 6.997,316 2.225,317 3.469,318 2.789,319 4.988,320 3.141,321 2.165,322 2.611,323 0.736,324 5.713,325 2.109,326 3.063,327 2.759,328 4.761,329 2.82,330 1.816,331 2.148,332 0.079,333 5.134,334 1.811,335 2.854,336 2.434,337 4.137,338 2.726,339 1.753,340 1.912,342 3.845,343 1.697,344 2.804,345 1.826,346 3.717,347 2.407,348 1.414,349 1.856,351 3.167,352 1.403,353 2.619,354 1.603,355 3.585,356 2.319,357 1.389,358 1.636,360 3.019,361 1.267,362 2.5,363 1.523,364 3.397,365 2.08,366 1.123,367 1.5,369 2.501,370 1.063,371 2.288,372 1.156,373 3.247,374 2,375 1,376 1.249,378 2.136,379 1,380 2.127,381 1.133,382 3.143,383 1.692,384 0.708,385 0.927,387 1.585,388 0.688,389 2.118,390 1,391 3,392 1.591,393 0.618,394 0.879,395 1.372,396 0.6,397 1.714,398 0.618,399 2.957,400 1.5,401 0.561,402 0.649,403 1.271,404 0.519,405 1.21,406 0.549,407 2.554,408 0.948,409 -0.011,410 -0.013,411 -0.026,412 -0.011,413 1.016,414 0.184,415 2.362,416 0.73,417 -0.221,418 -0.254,419 -0.518,420 -0.208,421 13,422 0.481,423 0.452,424 0.017,425 29.25,426 1.083,427 13,428 0.481,429 16.25,430 0.602,431 25.569,432 0.947,433 30.2,434 0.581,435 19.021,436 0.704,437 5.45,438 0.202,439 7.77,440 0.288,441 0.051,443 0.223,447 0.685,448 1.094,449 0.794,450 0.999,451 0.679,452 0.999,453 0.677,454 1.218,455 1.044,456 1.25,457 0.644,458 1.16,459 0.931,460 1.004,461 0.989,462 1.081,463 1,464 1.063,465 1.006,466 1.008,467 1.031,468 1.086,469 1.152,470 1.099,471 1.072,472 0.934,473 0.942,474 0.97,475 1.139,476 1.011,477 1.203,478 0.904,479 0.861,480 0.875,481 1.284,482 0.988,483 1.048,484 0.83,485 0.97,486 0.931,487 1.194,488 0.971,489 0.944,490 0.861,491 1.097,492 1.001,493 1.03,494 0.875,495 4,496 0.069,497 2.222,498 1.451,499 0.846,500 0.445,501 0.404,502 0.219,503 0.251,504 0.159,505 10505,506 29527,507 2.079,508 48.1,510 13,513 2,514 2,515 8,517 1.696,518 2,519 3.639,520 0.304,521 1,522 1,525 86.006,526 1.654,527 3.7,528 4.78,529 5.224,530 5.277,531 5.277,532 3.102,533 4.31,534 4.723,535 3.871,536 1358.56,537 8.176,538 19115,540 1,541 1,542 296.423,543 1.117,544 4.711,545 0.138,546 0.003,547 0.06,548 0.045,549 0.029,550 0.015,551 0.014,552 0.008,553 0.009,554 0.005,555 0.329,556 0.17,557 1,558 0.454,559 138.57,560 0.103,561 0.151,562 0.065,563 0.067,564 0.002,565 0.026,566 0.128,567 -0.071,568 -0.046,569 -0.159,570 0.044,571 -0.14,572 -0.055,573 -0.048,574 -0.017,575 -0.052,576 -0.062,577 -0.043,578 -0.088,579 -0.082,580 -0.101,581 -0.096,582 -0.076,583 -0.088,584 -0.049,585 -0.021,586 -0.043,587 -0.043,588 -0.052,589 -0.031,590 -0.126,591 -0.005,592 -0.003,593 0.02,594 -0.12,595 -0.017,596 0.064,597 0.079,598 0.057,599 0.067,600 0.042,601 0.016,602 -0.006,603 0.08,604 0.009,605 0.061,606 -0.051,607 0.133,608 1.865,609 5.163,610 0.593,611 31.775,612 1.001,613 1.134,614 3.22,615 10.369,616 0.658,617 3.401,618 3.638,619 3.829,620 4.007,621 3.989,622 3.912,623 3.951,624 4.007,625 4.043,626 4.127,627 7.804,628 0.615,629 387.56,630 3.401,631 4.89,632 5.694,633 6.521,634 7.338,635 8.169,636 8.993,637 9.827,638 10.655,639 11.492,640 9.6,644 1,645 1,647 3,651 5,652 3,653 1,656 2,658 11,670 52,671 13,672 1,673 29,675 54,676 19,677 7,678 1,679 5,681 3,682 3,688 3,691 7,693 10,694 9,696 2,698 1,699 2,701 1,704 1,707 25,708 6,709 2,710 8,711 1,714 5,717 1,718 2,719 1,730 2,731 1,738 1,741 2,746 1,748 3,749 1,750 1,756 27,759 1,760 7,763 1,764 2,765 1,773 3.8,774 1,776 1,779 13.5,780 8.833,781 6.139,782 3.218,785 2.034,786 1.294,787 0.92,788 7.726,789 8.947,790 3.624,791 4.056,792 4.467,793 4.861,794 5.009,795 4.869,796 5.006,797 5.185,798 5.345,799 5.593,800 0.889,801 32,802 10.008,803 4.154,804 7.741,805 19.317,806 15.683,807 2.241,808 60.5,811 1,812 270.735,813 122.815,814 69.531,816 67.828,818 32.22,819 90.595,820 338.564,821 69.531,823 18.802,824 109.017,825 79.716,826 19.726,827 0.693,828 302.955,830 270.735,831 160.126,832 67.828,833 32.22,835 176.567,836 119.314,837 42.683,839 36.036,840 55.271,841 68.819,842 32.22,843 270.735,844 137.36,845 122.815,848 270.735,849 56.481,850 69.458,851 16.54,852 117.695,853 270.735,854 137.36,855 122.815,857 0.559,858 0.315,859 0.168,860 0.077,861 15,862 6,863 0.185,864 10,866 1,867 4.177,868 204.289,870 16,871 124.382,872 1,874 19.905,875 10.48,876 6.367,878 120.819,879 9.929,880 11.317,881 2.452,884 1.758,886 59.224,887 530.91,888 36.5,890 12.163,891 3.821,893 0.202,895 52.076,896 58.982,897 0.29,898 0.649,899 0.838,900 0.916,901 0.926,902 0.926,903 4.818,904 1.389,905 5.617,906 3.167,907 4.317,908 4.741,909 3.289,910 6.312,911 4.233,912 5.938,913 1.123,914 7.098,915 3.019,916 3.611,917 4.06,918 1.668,919 6.986,920 3.449,921 7.17,922 1,923 8.681,924 2.501,925 5.79,926 6.663,927 5.148,928 10.065,929 5.618,930 8.435,931 0.708,932 10.329,933 2.136,934 5.994,935 6.868,936 3.138,937 11.687,938 5.74,939 9.734,940 0.618,941 12.024,942 1.585,943 7.543,944 8.845,945 7.231,946 14.232,947 7.282,948 11.056,949 0.561,950 13.752,951 1.372,952 8.188,953 9.472,954 4.549,955 16.249,956 7.855,957 12.395,958 -0.011,959 15.506,960 1.271,961 9.468,962 11.156,963 9.367,964 18.625,965 9.121,966 3.027,967 -0.221,968 17.279,969 -0.026,970 10.335,971 12.007,972 5.925,973 20.807,974 9.927,975 2.622,976 10.007,977 19.068,978 -0.518,979 11.498,980 13.533,981 11.519,982 23.13,983 11.068,984 2.542,985 7.394,986 20.871,987 3.479,988 12.476,989 14.513,990 7.279,991 25.381,992 11.995,993 2.165,994 6.997,995 22.684,996 3.458,997 13.59,998 15.946,999 13.678,1000 27.687,1001 13.081,1002 1.816,1003 5.713,1004 24.506,1005 3.277,1006 14.625,1007 17.006,1008 8.621,1009 29.967,1010 14.068,1011 1.753,1012 5.134,1013 26.335,1014 2.611,1015 15.722,1016 18.38,1017 15.84,1018 32.27,1019 15.132,1020 1.414,1021 3.845,1022 28.17,1023 2.148,1024 16.785,1025 19.491,1026 9.957,1027 34.563,1028 16.151,1029 10063,1030 17064,1031 19.761,1032 34.199,1033 42.374,1034 44.532,1035 42.143,1036 41.561,1037 41.474,1038 51.159,1039 12.945,1040 108.281,1041 39.741,1042 5.117,1043 6.406,1044 6.273,1045 5.114,1046 5.027,1047 6.479,1048 5.9,1049 16.517,1050 4.899,1051 9.432,1052 1.461,1053 1.536,1054 1.453,1055 1.433,1056 1.43,1057 1.764,1058 0.446,1059 3.734,1060 1.37,1061 3.966,1062 4.008,1063 4.001,1064 3.88,1065 7.427,1066 3.874,1067 3.883,1068 3.923,1069 3.872,1070 3.761,1071 6.451,1072 3.763,1073 3.784,1074 3.876,1075 3.798,1076 3.604,1077 5.253,1078 3.565,1079 3.604,1080 3.67,1081 3.5,1082 3.422,1083 4.748,1084 3.429,1085 3.533,1086 3.579,1087 3.438,1088 3.338,1089 4.392,1090 3.358,1091 3.131,1092 3.21,1093 3.172,1094 2.993,1095 4.089,1096 2.983,1097 3.125,1098 3.185,1099 2.997,1100 2.954,1101 3.897,1102 2.92,1103 2.854,1104 2.925,1105 2.704,1106 2.735,1107 3.747,1108 2.715,1109 0.143,1110 0.152,1111 0.223,1112 0.137,1113 0.104,1114 4.141,1115 0.12,1116 4.406,1117 0.102,1118 6.471,1119 0.345,1120 3.986,1121 0.1,1122 3.027,1123 3.479,1124 2.95,1125 10.007,1126 2.899,1127 1.926,1128 1.897,1129 2.059,1130 2.014,1131 1.313,1132 2.031,1133 1.75,1134 1.699,1135 1.952,1136 1.915,1137 1.244,1138 1.932,1139 1.665,1140 1.616,1141 1.879,1142 1.811,1143 1.171,1144 1.839,1145 1.496,1146 1.45,1147 1.724,1148 1.69,1149 0.925,1150 1.702,1151 1.381,1152 1.332,1153 1.574,1154 1.627,1155 0.85,1156 1.601,1157 1.197,1158 1.145,1159 1.396,1160 1.582,1161 0.648,1162 1.529,1163 1.075,1164 0.958,1165 1.256,1166 1.379,1167 0.358,1168 1.38,1169 0.994,1170 0.903,1171 1.187,1172 1.239,1173 0.224,1174 1.241,1175 4.078,1177 5.333,1178 3.045,1179 6.753,1180 5.283,1181 8.251,1182 7.248,1183 9.792,1189 10.239,1190 5.564,1193 1.56,1194 -0.441,1195 1.935,1199 31.992,1200 86.006,1201 192.407,1202 248.549,1203 271.668,1204 274.423,1205 274.423,1206 54.323,1207 6.913,1208 95,1209 120.3,1210 16,1211 12.061,1212 3.807,1213 3.087,1214 47.227,1215 123,1216 116,1217 0.177,1218 203.448,1219 350.99,1220 488.173,1221 10403,1223 18.899,1224 0.7,1225 0.593,1226 19.253,1227 16.015,1228 13.22,1229 0.456,1230 0.354,1231 9.253,1232 12.24,1233 9.011,1234 7.448,1235 13.674,1236 10.267,1237 11.189,1238 0.302,1239 0.207,1240 11.799,1241 7.647,1242 8.944,1243 0.199,1244 0.122,1245 9.58,1246 5.492,1247 7.146,1248 0.132,1249 0.073,1250 7.739,1251 3.923,1252 4.828,1253 0.091,1254 0.046,1255 5.338,1256 2.463,1257 0.289,1258 87.464,1259 0.225,1260 26.954,1261 0.453,1262 132,1263 389.659,1264 168.844,1265 395.739,1266 529.3,1267 370,1268 148,1269 367.429,1270 178.572,1271 378.806,1272 543.03,1273 356,1274 4.886}
{0 CHEMBL14655,1 1.356,2 12.708,3 3.456,4 11.945,5 95.522,6 5.957,8 4.069,9 4.206,10 3.39,11 3.522,12 5.034,13 3.456,14 4.673,15 4.887,16 3.667,17 3.908,18 5.644,19 3.785,20 5.009,21 5.291,22 3.63,23 4.028,24 5.843,25 3.862,26 4.975,27 5.252,28 3.565,29 3.997,30 5.827,31 3.823,32 4.954,33 5.238,34 3.566,35 3.956,36 5.8,37 3.785,38 4.92,39 5.196,40 3.567,41 3.918,42 5.804,43 3.764,44 4.897,45 5.168,46 3.481,47 3.876,48 5.876,49 3.71,50 4.823,51 5.109,52 3.372,53 3.806,54 5.677,55 3.622,56 0.062,57 0.738,58 14.143,59 5.791,60 11.115,61 8.123,62 0.292,63 1.163,64 25.258,65 9.173,66 44.222,67 13.522,68 0.4,69 1.359,70 34.099,71 11.085,72 60.662,73 16.818,74 0.39,75 1.303,76 32.914,77 10.936,78 65.284,79 16.409,80 0.418,81 1.261,82 32.21,83 10.508,84 60.784,85 15.875,86 0.387,87 1.214,88 31.457,89 9.917,90 61.073,91 15.029,92 0.524,93 1.166,94 30.924,95 9.589,96 87.52,97 14.514,98 0.456,99 1.082,100 28.258,101 9.138,102 59.793,103 13.781,104 54,105 29,106 0.23,107 0.455,108 0.691,109 0.855,110 0.902,111 0.902,112 3.226,113 1.177,114 -3.62,115 -3.59,116 -3.42,118 33.3,119 1,120 11,124 1,125 2,129 2,145 2,150 1,153 1,154 10,155 1,157 1,158 6,160 1,162 3,164 8,165 1,167 4,170 3,171 8,172 1,175 4,179 2,180 8,181 1,184 5,187 1,189 3,192 7,193 1,196 4,200 3,202 8,206 3,207 1,208 1,210 1,211 8,214 1,215 3,217 1,219 1,222 8,226 2,227 1,230 1,233 6,234 3,236 1064,237 15.941,238 15.941,239 15.941,240 15.941,241 15.941,242 15.449,243 16.441,244 10.19,245 16.067,246 11.82,247 11.82,248 11.82,249 11.82,250 11.82,251 10.938,252 17.869,253 4.848,254 12.031,255 4.477,256 3.148,257 1.751,258 0.785,259 0.504,260 0.504,261 3.872,265 1,266 1,267 591,268 4.416,270 83.764,277 2.292,278 30.346,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 52.5,289 305,290 4.141,291 3.789,292 6.471,293 3.986,294 3.026,295 3.279,296 2.341,297 10.007,298 2.899,299 3.55,300 3.596,301 5.086,302 3.337,303 2.374,304 2.71,305 1.943,306 6.161,307 2.281,308 3.533,309 2.895,310 4.883,311 3.241,312 2.235,313 2.638,314 0.765,315 5.282,316 2.223,317 3.078,318 2.684,319 4.659,320 2.863,321 1.852,322 2.088,323 0.736,324 5.184,325 1.862,326 2.813,327 1.91,328 4.139,329 2.764,330 1.763,331 1.808,332 0.079,333 3.85,334 1.759,335 2.629,336 1.663,337 3.688,338 2.579,339 1.585,340 1.614,342 3.137,343 1.573,344 2.43,345 1.615,346 3.598,347 2.349,348 1.366,349 1.407,351 3.051,352 1.337,353 2.176,354 1.162,355 3.181,356 1.906,357 0.915,358 0.981,360 1.969,361 0.903,362 1.954,363 1.153,364 3.095,365 1.825,366 0.823,367 0.926,369 1.642,370 0.823,371 1.628,372 0.8,373 2.639,374 1.498,375 0.509,376 0.562,378 0.938,379 0.499,380 1.373,381 0.644,382 2.475,383 1.224,384 0.237,385 0.254,387 0.495,388 0.232,389 1.02,390 0.484,391 2,392 0.772,393 -0.248,394 -0.271,395 -0.504,396 -0.249,397 0.611,398 0.252,399 2,400 0.555,401 -0.418,402 -0.431,403 -0.731,404 -0.401,405 0.557,406 -0.187,407 1.848,408 0.301,409 -0.724,410 -0.778,411 -1.608,412 -0.717,413 0.325,414 -0.26,415 1.512,416 0.006,417 -1,418 -1.091,419 -2,420 -0.966,421 11.233,422 0.468,423 0.459,424 0.019,425 17.75,426 0.74,427 4,428 0.167,429 13.75,430 0.573,431 27.896,432 1.162,433 30.167,434 0.529,435 11.418,436 0.476,437 2.761,438 0.115,439 8.78,440 0.366,441 0.163,443 0.214,447 0.793,448 1.534,449 1.065,450 1.409,451 0.719,452 1.298,453 0.539,454 1.448,455 1.058,456 1.382,457 0.46,458 1.31,459 0.923,460 0.986,461 0.987,462 0.981,463 0.863,464 0.986,465 0.956,466 1.024,467 1.021,468 1.024,469 0.963,470 1.032,471 0.879,472 0.988,473 0.95,474 0.982,475 0.877,476 0.978,477 1.067,478 1.004,479 1.003,480 0.989,481 1.005,482 0.981,483 1.129,484 0.998,485 1.094,486 0.994,487 1.074,488 1.031,489 0.909,490 0.926,491 0.991,492 0.946,493 1.002,494 0.981,495 4,496 0.126,497 2.222,498 1.292,499 0.73,500 0.524,501 0.412,502 0.207,503 0.161,504 0.2,505 6385,506 15732,507 1.884,508 57.9,509 15,510 6,513 2,514 4,515 6,517 1.665,518 1.756,519 3.6,520 0.255,522 1,525 77.299,526 1.356,527 2.685,528 4.082,529 5.048,530 5.328,531 5.328,532 3.09,533 4.418,534 4.545,535 3.808,536 1051.08,537 7.832,538 13659.8,540 1,541 1,542 332.475,543 1.397,544 4.506,545 0.167,546 0.007,547 0.077,548 0.048,549 0.029,550 0.021,551 0.016,552 0.009,553 0.008,554 0.01,555 0.392,556 0.33,557 0.88,558 2.754,559 118.842,560 -0.054,561 -0.094,562 -0.008,563 -0.014,564 -0.045,565 -0.008,566 0.152,567 -0.207,568 -0.062,569 -0.195,570 0.143,571 -0.169,572 -0.068,573 0.027,574 -0.02,575 0.007,576 -0.049,577 0.005,578 -0.078,579 -0.023,580 -0.054,581 -0.02,582 -0.075,583 -0.032,584 -0.01,586 0.012,587 0.002,588 -0.039,589 0.008,590 -0.081,591 -0.007,592 -0.014,593 -0.01,594 -0.067,595 -0.001,596 -0.044,597 -0.015,598 -0.091,599 -0.024,600 -0.019,601 -0.06,602 0.01,603 0.044,604 -0.025,605 0.021,606 -0.061,607 -0.009,608 2.41,609 5.001,610 0.208,611 29.306,612 0.992,613 1.14,614 2.386,615 5.692,616 0.597,617 3.219,618 3.401,619 3.497,620 3.611,621 3.611,622 3.611,623 3.611,624 3.611,625 3.584,626 3.584,627 7.403,628 0.549,629 339.53,630 3.219,631 4.673,632 5.434,633 6.236,634 7.027,635 7.844,636 8.653,637 9.481,638 10.303,639 11.138,640 1.8,644 1,670 57,671 3,673 24,675 57,676 19,681 1,682 1,685 1,688 3,691 13,693 4,694 15,696 3,698 2,699 2,701 2,704 1,707 33,708 5,709 2,710 5,714 1,717 1,718 4,719 1,730 1,738 1,739 1,741 2,746 2,748 1,752 1,756 24,759 2,760 12,764 2,765 1,773 7,774 1,775 1,776 2,779 13.667,780 9.767,781 5.722,782 4.083,785 0.55,786 1.089,787 0.844,788 10.818,789 6.736,790 3.332,791 3.584,792 3.738,793 3.912,794 4.043,795 4.127,796 4.205,797 4.22,798 4.174,799 4.234,800 0.889,801 27,802 8.99,803 3.621,804 7.917,805 17.48,806 13.974,807 2.417,808 58,810 1,811 1,812 364.904,813 63.378,814 3.124,816 135.657,819 63.378,820 500.561,821 3.124,822 8.825,823 33.11,824 61.636,825 98.588,828 364.904,830 364.904,831 66.502,832 135.657,835 294.278,836 163.6,837 42.683,839 41.935,840 5.615,841 18.952,843 364.904,844 138.781,845 63.378,848 364.904,849 35.6,850 30.902,852 135.657,853 364.904,854 138.781,855 63.378,857 0.544,858 0.283,859 0.138,860 0.07,861 8,862 5,863 0.228,864 13,866 1,867 3.73,868 157.958,870 5,871 110.039,874 21.018,875 12.353,876 9.159,878 138.781,886 85.367,887 567.063,888 27,890 22.457,891 3.838,893 -0.553,895 56.549,896 64.979,897 0.232,898 0.46,899 0.7,900 0.865,901 0.914,902 0.914,903 4.522,904 0.915,905 5.352,906 3.051,907 4.078,908 4.263,909 2.888,910 6.014,911 4.038,912 5.591,913 0.823,914 6.821,915 1.969,916 3.434,917 3.761,918 2.619,919 6.72,920 3.326,921 6.798,922 0.509,923 8.4,924 1.642,925 5.509,926 5.905,927 4.048,928 9.778,929 5.409,930 8.035,931 0.237,932 10.05,933 0.938,934 5.74,935 6.256,936 4.42,937 11.465,938 5.546,939 9.311,940 -0.248,941 11.751,942 0.495,943 7.246,944 7.843,945 5.497,946 14.028,947 7.059,948 10.612,949 -0.418,950 13.491,951 -0.504,952 7.923,953 8.598,954 6.119,955 16.103,956 7.641,957 11.933,958 -0.724,959 15.26,960 -0.731,961 9.187,962 9.955,963 7.058,964 18.501,965 8.897,966 3.026,967 -1,968 17.052,969 -1.608,970 10.089,971 10.911,972 7.792,973 20.72,974 9.719,975 2.374,976 10.007,977 18.862,978 -2,979 11.252,980 12.167,981 8.673,982 23.06,983 10.859,984 2.235,985 6.161,986 20.685,987 3.279,988 12.263,989 13.228,990 9.462,991 25.332,992 11.803,993 1.852,994 5.282,995 22.518,996 2.71,997 13.387,998 14.44,999 10.319,1000 27.65,1001 12.894,1002 1.763,1003 5.184,1004 24.36,1005 2.638,1006 14.449,1007 15.555,1008 11.135,1009 29.94,1010 13.898,1011 1.585,1012 3.85,1013 26.207,1014 2.088,1015 15.559,1016 16.749,1017 11.983,1018 32.25,1019 14.97,1020 1.366,1021 3.137,1022 28.059,1023 1.808,1024 16.644,1025 17.895,1026 12.814,1027 34.548,1028 16.004,1029 6804,1030 10795,1031 15.197,1032 34.006,1033 33.859,1034 34.348,1035 34.663,1036 33.421,1037 33.372,1038 36.533,1039 11.727,1040 83.433,1041 32.779,1042 5.117,1043 5.657,1044 6.382,1045 4.995,1046 5.007,1047 5.661,1048 3.925,1049 16.515,1050 4.862,1051 14.692,1052 1.411,1053 1.431,1054 1.444,1055 1.393,1056 1.39,1057 1.522,1058 0.489,1059 3.476,1060 1.366,1061 3.942,1062 3.992,1063 3.849,1064 3.798,1065 7.474,1066 3.801,1067 3.758,1068 3.817,1069 3.615,1070 3.628,1071 7.427,1072 3.615,1073 3.737,1074 3.792,1075 3.599,1076 3.595,1077 6.45,1078 3.584,1079 3.541,1080 3.597,1081 3.39,1082 3.386,1083 6.351,1084 3.378,1085 3.489,1086 3.538,1087 3.345,1088 3.309,1089 4.403,1090 3.306,1091 3.221,1092 3.296,1093 3.032,1094 3.061,1095 4.169,1096 3.041,1097 3.171,1098 3.228,1099 2.994,1100 2.927,1101 4.129,1102 2.935,1103 2.941,1104 3.006,1105 2.751,1106 2.695,1107 3.934,1108 2.692,1109 0.173,1110 0.158,1111 0.27,1112 0.166,1113 0.126,1114 4.141,1115 0.137,1116 3.789,1117 0.098,1118 6.471,1119 0.417,1120 3.986,1121 0.121,1122 3.026,1123 3.279,1124 2.341,1125 10.007,1126 2.899,1127 1.812,1128 1.761,1129 2.034,1130 1.972,1131 1.378,1132 1.993,1133 1.771,1134 1.713,1135 2.017,1136 1.937,1137 1.353,1138 1.966,1139 1.669,1140 1.61,1141 1.901,1142 1.837,1143 1.217,1144 1.86,1145 1.554,1146 1.505,1147 1.788,1148 1.769,1149 1.086,1150 1.774,1151 1.482,1152 1.422,1153 1.763,1154 1.684,1155 1.021,1156 1.711,1157 1.343,1158 1.287,1159 1.602,1160 1.585,1161 0.816,1162 1.585,1163 1.154,1164 1.082,1165 1.459,1166 1.404,1167 0.664,1168 1.429,1169 0.996,1170 0.934,1171 1.323,1172 1.294,1173 0.538,1174 1.298,1175 3.892,1177 5.106,1178 2.398,1179 6.475,1180 4.727,1181 7.928,1182 6.783,1183 9.436,1185 2.145,1189 18.571,1190 9.936,1194 -0.303,1195 1.909,1199 31.309,1200 77.299,1201 153.064,1202 232.661,1203 287.72,1204 303.72,1205 303.72,1206 97.382,1207 6.186,1208 77.84,1209 77.84,1210 5,1211 11.711,1212 2,1213 2,1214 67.281,1215 101,1216 115,1217 0.311,1218 199.629,1219 363.14,1220 478.854,1221 3630,1223 17.786,1224 0.741,1225 0.623,1226 17.786,1227 14.953,1228 11.541,1229 0.481,1230 0.392,1231 9.331,1232 11.157,1233 9.142,1234 7.647,1235 11.541,1236 9.419,1237 9.542,1238 0.329,1239 0.231,1240 9.542,1241 6.699,1242 6.729,1243 0.21,1244 0.143,1245 6.729,1246 4.573,1247 4.92,1248 0.137,1249 0.087,1250 4.92,1251 3.115,1252 3.381,1253 0.094,1254 0.053,1255 3.381,1256 1.917,1257 0.506,1258 72.092,1259 0.257,1260 24.445,1261 0.799,1262 106,1263 307.416,1264 117.494,1265 286.876,1266 362.68,1267 264,1268 114,1269 236.745,1270 123.31,1271 233.974,1272 334.32,1273 221,1274 4.886}
{0 CHEMBL15096,1 1.336,2 12.708,3 3.631,4 13.182,5 94.713,6 5.789,8 4.1,9 4.241,10 3.395,11 3.544,12 5.027,13 3.472,14 4.723,15 4.943,16 3.676,17 3.943,18 5.64,19 3.812,20 5.077,21 5.364,22 3.645,23 4.074,24 5.862,25 3.899,26 5.069,27 5.354,28 3.587,29 4.063,30 5.858,31 3.875,32 5.065,33 5.361,34 3.585,35 4.031,36 5.846,37 3.841,38 5.017,39 5.305,40 3.581,41 3.979,42 5.85,43 3.808,44 4.975,45 5.258,46 3.493,47 3.93,48 5.897,49 3.748,50 4.906,51 5.206,52 3.383,53 3.859,54 5.707,55 3.659,56 0.068,57 0.761,58 14.865,59 6.016,60 9.839,61 8.521,62 0.306,63 1.203,64 26.587,65 9.582,66 40.295,67 14.227,68 0.432,69 1.41,70 36.009,71 11.526,72 56.103,73 17.676,74 0.428,75 1.383,76 35.554,77 11.628,78 60.176,79 17.671,80 0.459,81 1.347,82 35.202,83 11.362,84 57.97,85 17.366,86 0.424,87 1.279,88 33.929,89 10.567,90 60.096,91 16.225,92 0.539,93 1.217,94 32.723,95 10.124,96 82.999,97 15.508,98 0.473,99 1.13,100 29.972,101 9.637,102 56.606,103 14.695,104 54,105 29,106 0.225,107 0.39,108 0.641,109 0.841,110 0.898,111 0.898,112 3.226,113 1.217,114 -3.71,115 -3.68,116 -3.5,118 32.2,119 1,120 13,124 1,125 2,145 2,150 1,153 1,154 10,155 1,157 1,158 6,160 1,162 3,164 8,165 1,167 4,170 3,171 8,172 1,175 4,179 2,180 8,181 1,184 5,187 1,189 3,192 7,193 1,196 4,200 3,202 8,206 3,207 1,208 1,210 1,211 8,214 1,215 3,217 1,219 1,222 8,226 2,227 1,230 1,233 6,234 3,236 1064,237 15.941,238 15.941,239 15.941,240 15.941,241 15.941,242 15.604,243 15.559,244 10.19,245 16.067,246 11.82,247 11.82,248 11.82,249 11.82,250 11.82,251 11.23,252 17.253,253 4.848,254 12.031,255 4.546,256 3.568,257 2.082,258 0.894,259 0.555,260 0.555,261 3.872,265 1,266 1,267 591,268 4.416,270 83.764,277 2.292,278 30.654,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 52.5,289 305,290 4.124,291 3.774,292 6.471,293 3.986,294 3.026,295 3.249,296 2.341,297 10.007,298 2.899,299 3.55,300 3.596,301 5.086,302 3.337,303 2.374,304 2.71,305 1.94,306 6.161,307 2.281,308 3.391,309 2.7,310 4.883,311 3.241,312 2.235,313 2.398,314 0.555,315 5.282,316 2.223,317 3.054,318 2.542,319 4.659,320 2.863,321 1.852,322 2.061,324 5.184,325 1.862,326 2.803,327 1.866,328 4.139,329 2.764,330 1.763,331 1.801,333 3.85,334 1.759,335 2.597,336 1.639,337 3.688,338 2.579,339 1.585,340 1.595,342 3.137,343 1.573,344 2.414,345 1.583,346 3.598,347 2.349,348 1.366,349 1.4,351 3.051,352 1.337,353 1.956,354 1.157,355 3.181,356 1.906,357 0.915,358 0.933,360 1.969,361 0.903,362 1.865,363 1.08,364 3.095,365 1.825,366 0.823,367 0.837,369 1.642,370 0.823,371 1.584,372 0.765,373 2.639,374 1.498,375 0.509,376 0.526,378 0.938,379 0.499,380 1.287,381 0.638,382 2.475,383 1.224,384 0.237,385 0.242,387 0.495,388 0.232,389 0.965,390 0.451,391 2,392 0.772,393 -0.248,394 -0.267,395 -0.504,396 -0.249,397 0.598,398 0.251,399 2,400 0.555,401 -0.418,402 -0.422,403 -0.731,404 -0.401,405 0.556,406 -0.237,407 1.848,408 0.301,409 -0.724,410 -0.773,411 -1.608,412 -0.717,413 0.324,414 -0.261,415 1.512,416 0.006,417 -1,418 -1.088,419 -2,420 -0.966,421 11.233,422 0.468,423 0.459,424 0.019,425 16.75,426 0.698,427 3,428 0.125,429 13.75,430 0.573,431 29.719,432 1.238,433 30.767,434 0.521,435 9.594,436 0.4,437 2.29,438 0.095,439 9.251,440 0.385,441 0.163,443 0.214,447 0.792,448 1.585,449 1.1,450 1.462,451 0.709,452 1.346,453 0.53,454 1.475,455 1.074,456 1.412,457 0.452,458 1.336,459 0.949,460 0.993,461 1.008,462 0.989,463 0.871,464 0.998,465 0.959,466 1.03,467 1.036,468 1.032,469 0.94,470 1.044,471 0.855,472 0.977,473 0.939,474 0.974,475 0.861,476 0.97,477 1.042,478 0.98,479 0.981,480 0.967,481 0.988,482 0.961,483 1.068,484 0.994,485 1.063,486 0.991,487 1.008,488 1.02,489 0.855,490 0.909,491 0.953,492 0.928,493 0.937,494 0.956,495 4,496 0.126,497 2.222,498 1.292,499 0.73,500 0.524,501 0.412,502 0.207,503 0.161,504 0.2,505 6385,506 15025,507 1.884,508 59.3,509 15,510 4,513 2,514 4,515 10,517 1.665,518 1.756,519 3.6,520 0.255,522 1,525 78.84,526 1.336,527 2.315,528 3.8,529 4.988,530 5.327,531 5.327,532 3.09,533 4.418,534 4.545,535 3.808,536 1051.08,537 7.832,538 13659.8,540 1,541 1,542 347.076,543 1.397,544 4.506,545 0.167,546 0.007,547 0.077,548 0.048,549 0.029,550 0.021,551 0.016,552 0.009,553 0.008,554 0.01,555 0.392,556 0.33,557 0.88,558 2.754,559 118.842,560 -0.051,561 -0.096,562 -0.007,563 -0.017,564 -0.036,565 -0.01,566 0.152,567 -0.212,568 -0.063,569 -0.198,570 0.138,571 -0.171,572 -0.075,573 0.025,574 -0.035,575 0.001,576 -0.053,577 -0.006,578 -0.08,579 -0.027,580 -0.068,581 -0.031,582 -0.07,583 -0.045,584 -0.005,585 -0.003,586 0.015,587 0.002,588 -0.035,589 0.009,590 -0.07,593 0.001,594 -0.054,595 0.012,596 -0.028,597 -0.016,598 -0.07,599 -0.021,600 0.002,601 -0.049,602 0.024,603 0.048,605 0.031,606 -0.041,607 0.01,608 2.401,609 5.035,610 0.208,611 29.306,612 0.99,613 1.142,614 2.482,615 6.163,616 0.589,617 3.219,618 3.401,619 3.497,620 3.611,621 3.611,622 3.611,623 3.611,624 3.611,625 3.584,626 3.584,627 7.403,628 0.54,629 341.55,630 3.219,631 4.673,632 5.434,633 6.236,634 7.027,635 7.844,636 8.653,637 9.481,638 10.303,639 11.138,640 1.7,644 1,670 59,671 2,673 24,675 59,676 19,681 1,682 1,685 1,688 3,691 15,693 2,694 17,696 2,698 2,701 2,704 1,707 35,708 5,709 2,710 5,714 1,717 1,718 4,719 1,730 1,738 1,739 1,746 2,748 1,752 1,756 24,759 2,760 14,764 2,765 1,773 6.8,774 1,775 1,776 2,779 13.667,780 10.1,781 5.722,782 4.333,785 0.159,786 1.026,787 0.843,788 11.149,789 6.346,790 3.296,791 3.526,792 3.611,793 3.738,794 3.761,795 3.738,796 3.761,797 3.761,798 3.738,799 3.829,800 0.889,801 27,802 9.014,803 3.636,804 7.875,805 17.699,806 14.33,807 2.375,808 57,810 1,811 1,812 388.446,813 49.494,814 3.124,816 135.657,819 49.494,820 524.103,821 3.124,822 8.825,823 38.179,824 42.683,825 98.588,828 388.446,830 388.446,831 52.619,832 135.657,835 270.735,836 210.684,837 42.683,839 47.004,840 5.615,843 388.446,844 138.781,845 49.494,848 388.446,849 40.669,850 11.95,852 135.657,853 388.446,854 138.781,855 49.494,857 0.544,858 0.283,859 0.138,860 0.07,861 8,862 5,863 0.237,864 14,866 1,867 3.73,868 157.958,870 5,871 110.039,874 21.277,875 12.576,876 9.352,878 138.781,886 85.367,887 576.722,888 26,890 22.499,893 -0.492,895 58.432,896 67.394,897 0.227,898 0.393,899 0.646,900 0.848,901 0.906,902 0.906,903 4.489,904 0.915,905 5.352,906 3.051,907 4.078,908 4.205,909 2.788,910 6.014,911 4.038,912 5.541,913 0.823,914 6.821,915 1.969,916 3.434,917 3.761,918 2.619,919 6.72,920 3.326,921 6.744,922 0.509,923 8.4,924 1.642,925 5.509,926 5.79,927 4.027,928 9.778,929 5.409,930 7.975,931 0.237,932 10.05,933 0.938,934 5.74,935 6.217,936 4.418,937 11.465,938 5.546,939 9.246,940 -0.248,941 11.751,942 0.495,943 7.246,944 7.695,945 5.492,946 14.028,947 7.059,948 10.542,949 -0.418,950 13.491,951 -0.504,952 7.923,953 8.525,954 6.117,955 16.103,956 7.641,957 11.859,958 -0.724,959 15.26,960 -0.731,961 9.187,962 9.797,963 7.055,964 18.501,965 8.897,966 3.026,967 -1,968 17.052,969 -1.608,970 10.089,971 10.813,972 7.79,973 20.72,974 9.719,975 2.374,976 10.007,977 18.862,978 -2,979 11.252,980 12.01,981 8.671,982 23.06,983 10.859,984 2.235,985 6.161,986 20.685,987 3.249,988 12.263,989 13.11,990 9.46,991 25.332,992 11.803,993 1.852,994 5.282,995 22.518,996 2.71,997 13.387,998 14.283,999 10.317,1000 27.65,1001 12.894,1002 1.763,1003 5.184,1004 24.36,1005 2.398,1006 14.449,1007 15.422,1008 11.134,1009 29.94,1010 13.898,1011 1.585,1012 3.85,1013 26.207,1014 2.061,1015 15.559,1016 16.589,1017 11.982,1018 32.25,1019 14.97,1020 1.366,1021 3.137,1022 28.059,1023 1.801,1024 16.644,1025 17.746,1026 12.813,1027 34.548,1028 16.004,1029 6804,1030 10560,1031 15.197,1032 34.768,1033 33.414,1034 34.5,1035 34.663,1036 33.421,1037 33.372,1038 35.501,1039 9.674,1040 83.433,1041 32.779,1042 5.103,1043 5.716,1044 6.382,1045 4.995,1046 5.007,1047 5.249,1048 3.925,1049 16.515,1050 4.862,1051 14.692,1052 1.392,1053 1.438,1054 1.444,1055 1.393,1056 1.39,1057 1.479,1058 0.403,1059 3.476,1060 1.366,1061 3.944,1062 3.997,1063 3.842,1064 3.792,1065 7.474,1066 3.794,1067 3.762,1068 3.822,1069 3.613,1070 3.629,1071 7.427,1072 3.615,1073 3.74,1074 3.794,1075 3.603,1076 3.598,1077 6.449,1078 3.587,1079 3.551,1080 3.614,1081 3.384,1082 3.388,1083 6.351,1084 3.376,1085 3.492,1086 3.541,1087 3.345,1088 3.311,1089 4.288,1090 3.308,1091 3.245,1092 3.328,1093 3.04,1094 3.071,1095 4.17,1096 3.049,1097 3.171,1098 3.228,1099 2.994,1100 2.927,1101 4.079,1102 2.935,1103 2.978,1104 3.049,1105 2.776,1106 2.739,1107 3.85,1108 2.732,1109 0.172,1110 0.157,1111 0.27,1112 0.166,1113 0.126,1114 4.124,1115 0.135,1116 3.774,1117 0.098,1118 6.471,1119 0.417,1120 3.986,1121 0.121,1122 3.026,1123 3.249,1124 2.341,1125 10.007,1126 2.899,1127 1.816,1128 1.76,1129 2.047,1130 1.984,1131 1.416,1132 2.006,1133 1.772,1134 1.714,1135 2.018,1136 1.941,1137 1.369,1138 1.969,1139 1.679,1140 1.615,1141 1.935,1142 1.852,1143 1.288,1144 1.883,1145 1.554,1146 1.505,1147 1.788,1148 1.772,1149 1.087,1150 1.775,1151 1.496,1152 1.433,1153 1.777,1154 1.697,1155 1.075,1156 1.725,1157 1.355,1158 1.299,1159 1.636,1160 1.596,1161 0.894,1162 1.601,1163 1.176,1164 1.098,1165 1.483,1166 1.433,1167 0.725,1168 1.46,1169 1.014,1170 0.951,1171 1.348,1172 1.308,1173 0.576,1174 1.315,1175 3.892,1177 5.106,1178 2.398,1179 6.475,1180 4.727,1181 7.928,1182 6.783,1183 9.436,1185 2.163,1189 18.666,1190 12.111,1194 0.058,1195 1.996,1199 31.836,1200 78.84,1201 136.557,1202 224.214,1203 294.321,1204 314.321,1205 314.321,1206 100.461,1207 6.186,1208 77.84,1209 77.84,1210 5,1211 11.711,1212 1.585,1213 1.585,1214 67.281,1215 101,1216 115,1217 0.311,1218 202.556,1219 365.78,1220 485.997,1221 3630,1223 17.786,1224 0.741,1225 0.634,1226 17.786,1227 15.212,1228 11.541,1229 0.481,1230 0.406,1231 9.648,1232 11.157,1233 9.454,1234 7.896,1235 11.541,1236 9.735,1237 9.542,1238 0.329,1239 0.244,1240 9.542,1241 7.065,1242 6.729,1243 0.21,1244 0.155,1245 6.729,1246 4.966,1247 4.92,1248 0.137,1249 0.096,1250 4.92,1251 3.472,1252 3.381,1253 0.094,1254 0.062,1255 3.381,1256 2.235,1257 0.506,1258 72.092,1259 0.257,1260 24.445,1261 0.799,1262 106,1263 297.416,1264 117.494,1265 276.146,1266 347.68,1267 254,1268 114,1269 225.745,1270 123.31,1271 222.242,1272 316.69,1273 210,1274 4.886}
{0 CHEMBL1628652,1 1.289,2 12.64,3 2.958,4 8.752,5 100.47,6 6.009,8 4.109,9 4.236,10 3.422,11 3.566,12 5.122,13 3.503,14 4.692,15 4.884,16 3.717,17 3.972,18 5.698,19 3.855,20 5.071,21 5.332,22 3.738,23 4.114,24 5.965,25 3.957,26 5.08,27 5.354,28 3.687,29 4.084,30 6.035,31 3.913,32 5.011,33 5.287,34 3.633,35 4.012,36 5.932,37 3.851,38 4.948,39 5.211,40 3.674,41 3.975,42 5.937,43 3.829,44 4.979,45 5.237,46 3.571,47 3.967,48 5.966,49 3.804,50 4.962,51 5.247,52 3.466,53 3.92,54 5.809,55 3.737,56 0.089,57 0.737,58 14.696,59 6.275,60 20.874,61 8.456,62 0.232,63 1.182,64 25.73,65 10.198,66 54.704,67 14.317,68 0.417,69 1.45,70 36.664,71 12.511,72 83.945,73 18.312,74 0.542,75 1.422,76 36.864,77 12.32,78 102.547,79 18.184,80 0.426,81 1.32,82 34.328,83 11.404,84 86.118,85 16.83,86 0.449,87 1.262,88 32.588,89 10.869,90 89.229,91 15.96,92 0.573,93 1.263,94 33.792,95 10.855,96 102.742,97 15.971,98 0.438,99 1.22,100 32.47,101 10.571,102 80.81,103 15.738,104 65,105 31,106 0.216,107 0.495,108 0.749,109 0.9,110 0.923,111 0.923,112 3.265,113 1.145,114 -3.44,115 -3.42,116 -3.27,118 33.9,119 1,120 9,121 2,125 3,129 4,145 1,150 1,153 1,154 13,155 1,158 1,160 1,162 7,164 14,165 1,167 1,170 7,171 13,172 1,175 1,178 1,179 7,180 12,181 1,184 1,189 6,192 10,193 1,196 1,199 1,200 7,202 11,203 1,206 1,209 1,210 6,211 10,212 1,215 1,219 6,222 9,223 1,226 1,230 5,231 1,233 7,234 2,236 1176,237 16.441,238 16.441,239 16.441,240 16.441,241 16.441,242 15.82,243 15.633,244 10.401,245 16.553,246 12.304,247 12.304,248 12.304,249 12.304,250 12.304,251 11.347,252 15.699,253 4.94,254 12.525,255 4.594,256 2.936,257 1.424,258 0.521,259 0.386,260 0.386,261 3.91,265 1,266 1,267 612,268 4.472,270 87.064,277 2.266,278 37.071,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 55,289 316,290 4.172,291 3.596,292 6.682,293 4.13,294 3.148,295 3.21,296 2.341,297 10.723,298 3.088,299 3.552,300 3.336,301 5.354,302 3.336,303 2.374,304 2.713,305 0.765,306 6.314,307 2.275,308 3.503,309 2.813,310 5.027,311 3.241,312 2.236,313 2.572,315 5.958,316 2.223,317 3.209,318 2.38,319 4.663,320 3.002,321 2.041,322 2.269,324 5.184,325 1.956,326 2.989,327 2.148,328 4.657,329 2.761,330 1.78,331 1.989,333 4.755,334 1.74,335 2.746,336 1.912,337 3.799,338 2.618,339 1.628,340 1.727,342 3.45,343 1.607,344 2.572,345 1.648,346 3.621,347 2.539,348 1.555,349 1.57,351 3.08,352 1.523,353 2.311,354 1.522,355 3.417,356 2.108,357 1.123,358 1.239,360 2.418,361 1.099,362 2.15,363 1.1,364 3.112,365 1.832,366 0.836,367 0.983,369 1.735,370 0.831,371 1.644,372 0.841,373 2.74,374 1.563,375 0.588,376 0.616,378 1.076,379 0.569,380 1.411,381 0.685,382 2.505,383 1.241,384 0.249,385 0.273,387 0.52,388 0.245,389 1.006,390 0.413,391 2.335,392 0.779,393 -0.203,394 -0.221,395 -0.432,396 -0.197,397 0.618,398 0.169,399 2.121,400 0.551,401 -0.418,402 -0.433,403 -0.725,404 -0.4,405 0.507,406 -0.072,407 1.85,408 0.332,409 -0.562,410 -0.566,411 -1.303,412 -0.491,413 0.437,414 -0.259,415 1.739,416 0.247,417 -0.724,418 -0.773,419 -1.625,420 -0.693,421 11.667,422 0.467,423 0.548,424 0.022,425 17.25,426 0.69,427 3.5,428 0.14,429 13.75,430 0.55,431 30.719,432 1.229,433 31.533,434 0.534,435 11.948,436 0.478,437 2.755,438 0.11,439 9.197,440 0.368,441 0.186,443 0.257,447 0.933,448 1.302,449 1.095,450 1.295,451 0.927,452 1.233,453 0.622,454 1.428,455 1.083,456 1.43,457 0.606,458 1.351,459 0.94,460 1.076,461 1.015,462 1.076,463 0.937,464 1.061,465 0.867,466 0.996,467 0.968,468 1,469 0.842,470 1.002,471 0.953,472 0.967,473 0.95,474 0.965,475 0.92,476 0.958,477 0.867,478 1.051,479 0.93,480 1.045,481 0.822,482 1.004,483 1.119,484 1.028,485 1.115,486 1.035,487 1.056,488 1.07,489 0.976,490 0.938,491 0.98,492 0.942,493 0.951,494 0.959,495 4.5,496 0.159,497 2.444,498 1.889,499 0.81,500 0.691,501 0.493,502 0.269,503 0.211,504 0.225,505 6876,506 17623,507 1.867,508 57.6,509 15,510 7,513 4,514 2,515 4,516 2,517 1.678,518 1.724,519 3.582,520 1.697,522 1,525 76.054,526 1.289,527 2.947,528 4.458,529 5.361,530 5.497,531 5.497,532 3.079,533 3.974,534 4.603,535 3.794,536 1138.29,537 7.96,538 15027.6,540 1,541 1,542 347.076,543 1.479,544 4.553,545 0.18,546 0.008,547 0.079,548 0.063,549 0.029,550 0.026,551 0.018,552 0.011,553 0.01,554 0.01,555 0.433,556 0.17,557 0.88,558 2.72,559 124.735,560 -0.106,561 0.103,562 -0.039,563 0.095,564 -0.113,565 0.047,566 0.074,567 -0.182,568 -0.096,569 -0.186,570 0.085,571 -0.174,572 -0.064,573 -0.051,574 -0.044,575 -0.049,576 -0.072,577 -0.044,578 0.008,579 -0.006,580 -0.007,581 -0.007,582 0.006,583 -0.01,584 -0.059,585 0.016,586 0.014,587 0.021,588 -0.05,589 0.029,590 0.042,591 -0.04,592 0.045,593 -0.033,594 0.048,595 0.002,596 -0.058,597 -0.037,598 -0.115,599 -0.048,600 -0.047,601 -0.087,602 -0.075,603 0.015,604 -0.023,605 0.015,606 -0.077,607 0.007,608 2.453,609 4.176,610 0.2,611 30.688,612 0.994,613 1.137,614 2.207,615 4.872,616 0.597,617 3.258,618 3.466,619 3.584,620 3.738,621 3.761,622 3.738,623 3.714,624 3.714,625 3.714,626 3.689,627 7.348,628 0.551,629 354.54,630 3.258,631 4.727,632 5.501,633 6.323,634 7.13,635 7.968,636 8.796,637 9.646,638 10.489,639 11.347,670 59,671 3,673 25,675 59,676 20,681 1,682 1,685 1,688 3,689 2,691 12,693 5,694 15,695 2,696 3,698 1,699 4,701 1,704 1,707 34,708 5,709 4,710 5,717 1,718 5,719 3,730 1,739 1,741 4,746 4,748 1,752 1,756 25,759 4,760 9,764 5,773 8.5,774 3,775 1,776 1,779 14.5,780 9.717,781 5.917,782 3.944,785 0.84,786 1.134,787 0.8,788 10.905,789 7.12,790 3.367,791 3.638,792 3.807,793 4.043,794 4.205,795 4.369,796 4.443,797 4.511,798 4.575,799 4.635,800 0.889,801 30,802 9.394,803 3.896,804 8.013,805 18,806 14.671,807 2.513,808 62.833,811 1,812 353.133,813 70.451,816 195.878,819 70.451,820 549.011,822 8.825,823 22.811,824 165.955,825 68.738,828 353.133,830 353.133,831 70.451,832 195.878,835 282.506,836 138.455,837 128.05,839 31.636,840 0.91,841 37.905,843 353.133,844 195.878,845 70.451,848 353.133,849 23.721,850 46.73,852 195.878,853 353.133,854 195.878,855 70.451,857 0.549,858 0.29,859 0.146,860 0.075,861 9,862 6,863 0.203,864 12,866 1,867 3.751,868 170.895,870 5,871 114.096,874 22.042,875 12.369,876 8.774,878 195.878,886 170.733,887 619.462,888 28,890 10.46,891 7.526,893 -0.787,895 58.658,896 67.105,897 0.219,898 0.501,899 0.758,900 0.911,901 0.934,902 0.934,903 4.575,904 1.123,905 5.442,906 3.08,907 4.143,908 4.317,909 2.373,910 6.151,911 4.103,912 5.659,913 0.836,914 6.942,915 2.418,916 3.611,917 3.761,918 2.243,919 6.952,920 3.501,921 6.872,922 0.588,923 8.554,924 1.735,925 5.617,926 5.948,927 3.646,928 10.044,929 5.54,930 8.112,931 0.249,932 10.237,933 1.076,934 5.943,935 6.176,936 4.112,937 11.812,938 5.803,939 9.387,940 -0.203,941 11.97,942 0.52,943 7.418,944 7.838,945 5.204,946 14.431,947 7.3,948 10.687,949 -0.418,950 13.74,951 -0.432,952 8.181,953 8.465,954 5.889,955 16.585,956 8.016,957 12.007,958 -0.562,959 15.539,960 -0.725,961 9.442,962 9.884,963 6.849,964 19.047,965 9.284,966 3.148,967 -0.724,968 17.361,969 -1.303,970 10.419,971 10.735,972 7.625,973 21.342,974 10.227,975 2.374,976 10.723,977 19.2,978 -1.625,979 11.6,980 12.03,981 8.526,982 23.747,983 11.403,984 2.236,985 6.314,986 21.053,987 3.21,988 12.673,989 13.009,990 9.342,991 26.092,992 12.45,993 2.041,994 5.958,995 22.916,996 2.713,997 13.827,998 14.239,999 10.216,1000 28.477,1001 13.592,1002 1.78,1003 5.184,1004 24.787,1005 2.572,1006 14.941,1007 15.295,1008 11.051,1009 30.839,1010 14.684,1011 1.628,1012 4.755,1013 26.665,1014 2.269,1015 16.088,1016 16.491,1017 11.912,1018 33.216,1019 15.815,1020 1.555,1021 3.45,1022 28.548,1023 1.989,1024 17.22,1025 17.591,1026 12.755,1027 35.585,1028 16.927,1029 7346,1030 11849,1031 15.603,1032 35.216,1033 35.878,1034 35.915,1035 36.595,1036 35.271,1037 35.115,1038 38.321,1039 6.211,1040 90.425,1041 34.315,1042 5.085,1043 5.468,1044 6.593,1045 5.111,1046 5.128,1047 5.599,1048 3.925,1049 17.488,1050 5.069,1051 16.292,1052 1.435,1053 1.437,1054 1.464,1055 1.411,1056 1.405,1057 1.533,1058 0.248,1059 3.617,1060 1.373,1061 3.974,1062 4.011,1063 3.874,1064 3.875,1065 7.474,1066 3.869,1067 3.76,1068 3.817,1069 3.623,1070 3.639,1071 6.465,1072 3.625,1073 3.736,1074 3.784,1075 3.599,1076 3.605,1077 6.449,1078 3.593,1079 3.54,1080 3.597,1081 3.399,1082 3.396,1083 6.434,1084 3.385,1085 3.48,1086 3.518,1087 3.353,1088 3.309,1089 6.351,1090 3.311,1091 3.223,1092 3.302,1093 3.024,1094 3.063,1095 4.429,1096 3.04,1097 3.157,1098 3.205,1099 2.99,1100 2.921,1101 4.288,1102 2.93,1103 2.979,1104 3.035,1105 2.797,1106 2.704,1107 4.157,1108 2.703,1109 0.167,1110 0.144,1111 0.267,1112 0.165,1113 0.126,1114 4.172,1115 0.128,1116 3.596,1117 0.094,1118 6.682,1119 0.429,1120 4.13,1121 0.124,1122 3.148,1123 3.21,1124 2.341,1125 10.723,1126 3.088,1127 1.84,1128 1.8,1129 2.037,1130 1.972,1131 1.37,1132 1.995,1133 1.773,1134 1.721,1135 2.004,1136 1.927,1137 1.33,1138 1.955,1139 1.68,1140 1.627,1141 1.903,1142 1.843,1143 1.23,1144 1.864,1145 1.593,1146 1.547,1147 1.822,1148 1.789,1149 1.15,1150 1.798,1151 1.477,1152 1.422,1153 1.747,1154 1.687,1155 1.015,1156 1.707,1157 1.361,1158 1.313,1159 1.612,1160 1.575,1161 0.796,1162 1.58,1163 1.161,1164 1.09,1165 1.468,1166 1.399,1167 0.649,1168 1.426,1169 0.972,1170 0.915,1171 1.302,1172 1.28,1173 0.51,1174 1.279,1175 3.932,1177 5.165,1178 2.398,1179 6.558,1180 4.844,1181 8.04,1182 6.986,1183 9.583,1185 2.123,1189 38.952,1190 6.407,1194 -1.849,1199 32.53,1200 76.054,1201 173.845,1202 263.037,1203 316.321,1204 324.321,1205 324.321,1206 123.998,1207 6.28,1208 97.99,1209 97.99,1210 5,1211 11.903,1212 2,1213 2,1214 71.876,1215 104,1216 122,1217 0.324,1218 206.423,1219 378.23,1220 495.432,1221 3962,1223 18.656,1224 0.746,1225 0.61,1226 18.656,1227 15.257,1228 11.952,1229 0.478,1230 0.382,1231 9.464,1232 11.597,1233 9.272,1234 7.728,1235 11.952,1236 9.546,1237 10.082,1238 0.325,1239 0.228,1240 10.082,1241 7.053,1242 7.118,1243 0.203,1244 0.14,1245 7.118,1246 4.911,1247 5.427,1248 0.132,1249 0.083,1250 5.427,1251 3.405,1252 3.718,1253 0.089,1254 0.049,1255 3.718,1256 2.064,1257 0.523,1258 74.596,1259 0.253,1260 25.142,1261 0.844,1262 112,1263 314.334,1264 122.739,1265 294.066,1266 367.34,1267 270,1268 122,1269 231.485,1270 130.306,1271 230.878,1272 330,1273 218,1274 8.398}
{0 CHEMBL1644003,1 1.627,2 15.474,3 5.97,4 35.641,5 154.518,6 7.968,7 0.537,8 4.31,9 4.412,10 4.07,11 3.944,12 5.389,13 3.875,14 4.848,15 5.012,16 4.412,17 4.347,18 6.081,19 4.257,20 5.05,21 5.199,22 4.551,23 4.512,24 6.207,25 4.405,26 5.238,27 5.434,28 4.509,29 4.534,30 6.502,31 4.407,32 5.131,33 5.313,34 4.404,35 4.481,36 6.254,37 4.358,38 5.142,39 5.33,40 4.339,41 4.43,42 6.313,43 4.327,44 5.138,45 5.322,46 4.184,47 4.391,48 6.31,49 4.276,50 5.192,51 5.447,52 3.992,53 4.358,54 6.114,55 4.155,56 0.086,57 0.984,58 16.483,59 7.045,60 18.249,61 8.352,62 0.539,63 1.603,64 29.435,65 12.022,66 65.272,67 14.745,68 0.251,69 1.923,70 38.205,71 15.433,72 53.156,73 18.13,74 0.771,75 2.205,76 52.871,77 18.97,78 154.722,79 21.865,80 0.357,81 2.054,82 47.119,83 17.289,84 70.554,85 19.754,86 0.394,87 2.034,88 46.559,89 16.579,90 79.707,91 19.238,92 0.554,93 1.949,94 37.167,95 14.366,96 108.421,97 17.486,98 0.337,99 2.049,100 47.13,101 18.059,102 72.459,103 23.387,104 84,105 60,106 0.253,107 0.566,108 0.714,109 0.782,110 0.814,111 0.827,112 3.667,113 1.06,114 -5.08,115 -4.98,116 -4.66,118 42,119 3,120 1,123 2,124 1,133 10,134 7,135 1,142 2,145 1,146 1,154 20,157 2,160 4,161 1,162 1,164 28,167 8,170 3,171 26,174 2,175 9,177 2,179 5,180 16,184 13,189 6,192 14,196 18,200 6,202 13,206 9,210 4,211 12,215 8,219 3,222 9,226 5,230 3,233 10,236 2732,237 24.609,238 24.609,239 24.609,240 24.609,241 24.609,242 21.461,243 22.369,244 14.1,245 25.057,246 20.178,247 20.178,248 20.178,249 20.178,250 20.178,251 15.182,252 17.689,253 6.676,254 20.894,255 4.481,256 2.462,257 1.507,258 1.073,259 0.866,260 0.779,261 4.353,266 1,267 1253,268 4.899,270 98.927,271 402.981,274 186.164,277 2.371,278 44.99,280 0.75,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.78,288 81.5,289 588,290 4.854,291 4.689,292 7.306,293 4.325,294 3.389,295 4.732,296 1.629,297 12.497,298 3.241,299 4.774,300 3.712,301 7.071,302 4.309,303 3.361,304 4.704,305 1.2,306 12.221,307 3.088,308 4.151,309 3.497,310 6.272,311 3.766,312 2.784,313 3.754,314 0.293,315 9.193,316 2.728,317 3.995,318 3.236,319 5.955,320 3.64,321 2.654,322 3.459,323 0.142,324 8.155,325 2.609,326 3.846,327 2.814,328 5.37,329 3.427,330 2.433,331 3.399,333 6.953,334 2.419,335 3.689,336 2.609,337 5.244,338 3.37,339 2.379,340 3.01,342 6.476,343 2.352,344 3.566,345 2.558,346 5.041,347 3.192,348 2.211,349 2.875,351 5.977,352 2.146,353 3.504,354 2.315,355 5.03,356 3.086,357 2.117,358 2.752,360 5.897,361 2.043,362 3.24,363 2.015,364 4.994,365 2.843,366 1.85,367 2.52,369 5.558,370 1.838,371 3.057,372 1.958,373 4.833,374 2.566,375 1.626,376 2.252,378 4.744,379 1.559,380 2.913,381 1.723,382 4.559,383 2.548,384 1.571,385 2.016,387 4.506,388 1.485,389 2.5,390 1.58,391 4.029,392 2.1,393 1.128,394 1.5,395 2.801,396 1.087,397 2.5,398 1.494,399 3.442,400 2,401 1,402 1.5,403 2.29,404 1,405 2.378,406 1.036,407 3.414,408 2,409 1,410 1.337,411 2.275,412 1,413 2.205,414 1,415 3.414,416 1.802,417 0.882,418 1.131,419 2.275,420 0.793,421 18.7,422 0.492,423 1.301,424 0.034,425 49,426 1.289,427 26,428 0.684,429 23,430 0.605,431 37.475,432 0.986,433 40.7,434 0.59,435 43.033,436 1.132,437 9.521,438 0.251,439 8.436,440 0.222,441 0.205,442 0.045,443 0.342,447 0.541,448 1.207,449 0.802,450 1.077,451 0.61,452 0.936,453 0.488,454 0.719,455 0.768,456 0.738,457 0.481,458 0.75,459 0.869,460 1.185,461 0.998,462 1.178,463 0.927,464 1.1,465 1.076,466 0.99,467 1.139,468 1.036,469 1.098,470 0.952,471 1.097,472 1.176,473 1.297,474 1.231,475 1.022,476 1.09,477 1.225,478 1.186,479 1.23,480 1.192,481 1.112,482 1.072,483 1.585,484 1.055,485 1.042,486 0.942,487 1.579,488 1.208,489 0.672,490 1.099,491 0.965,492 1.089,493 0.646,494 1.185,495 10,496 0.202,497 5.333,498 3.417,499 2.629,500 2.06,501 1.116,502 0.732,503 0.483,504 0.25,505 24148,506 67696,507 1.986,508 44.9,509 9,510 18,513 2,515 2,517 1.783,518 1.802,519 3.793,520 0.149,525 112.272,526 1.627,527 3.646,528 4.601,529 5.035,530 5.242,531 5.329,532 3.212,533 4.577,534 5.221,535 4.084,536 2870.83,537 9.167,538 50318.8,542 421.488,543 1.689,544 5.14,545 0.244,546 0.007,547 0.089,548 0.054,549 0.042,550 0.036,551 0.02,552 0.016,553 0.014,554 0.008,555 0.529,556 0.17,557 0.88,558 0.906,559 214.606,560 0.063,561 -0.068,562 0.158,563 -0.012,564 -0.114,565 0.036,566 0.331,567 0.373,568 0.175,569 0.254,570 0.223,571 0.212,572 -0.013,573 -0.141,574 0.015,575 -0.117,576 -0.056,577 -0.113,578 0.081,579 0.017,580 -0.024,581 0.03,582 0.102,583 0.034,584 -0.122,585 -0.13,586 -0.171,587 -0.137,588 -0.065,589 -0.099,590 -0.137,591 -0.159,592 -0.19,593 -0.171,594 -0.028,595 -0.104,596 -0.33,597 -0.072,598 -0.294,599 -0.12,600 -0.278,601 -0.3,602 -0.002,603 -0.178,604 -0.075,605 -0.153,606 -0.004,607 -0.165,608 4.852,609 6.028,610 0.553,611 47.105,612 1.002,613 1.116,614 3.849,615 14.812,616 0.693,617 3.738,618 4.111,619 4.357,620 4.625,621 4.868,622 5.024,623 5.088,624 5.187,625 5.22,626 5.165,627 9.196,628 0.647,629 549.77,630 3.738,631 5.313,632 6.168,633 7.069,634 7.948,635 8.858,636 9.749,637 10.663,638 11.561,639 12.479,640 4.3,644 3,650 2,651 10,655 1,656 8,658 22,662 1,670 69,671 26,672 3,673 41,675 72,676 29,677 20,678 8,679 10,680 1,681 4,682 5,684 1,685 3,691 1,693 22,694 7,696 4,697 1,698 4,701 2,707 31,708 7,709 2,710 9,711 2,714 3,717 0.75,718 4,730 1,731 3,734 1,748 3,750 2,752 5,756 38,758 1,760 2,761 2,765 1,769 1,773 5.8,776 4,779 21.083,780 14.033,781 8.153,782 3.95,785 4.149,786 1.504,787 0.992,788 8.364,789 12.376,790 4.043,791 4.712,792 5.277,793 5.895,794 6.467,795 6.881,796 7.255,797 7.663,798 7.935,799 8.136,800 0.9,801 63,802 14.409,803 6.435,804 7.888,805 26.802,806 22.148,807 2.388,808 90.75,812 341.362,813 214.078,814 37.54,816 94.603,818 37.085,819 176.993,820 435.965,821 37.54,822 43.268,823 42.18,824 100.57,825 99.307,826 23.237,827 6.38,828 372.64,830 341.362,831 214.533,832 94.603,833 37.085,835 317.82,836 118.145,839 68.656,840 145.877,841 5.807,842 31.278,843 341.362,844 132.143,845 214.078,847 5.807,848 341.362,849 70.24,850 141.155,851 34.416,852 94.603,853 341.362,854 132.143,855 214.078,857 0.598,858 0.34,859 0.176,860 0.1,861 28,862 15,863 0.097,864 7,865 1,866 1.095,867 4.674,868 364.955,869 0.095,870 21,871 187.421,872 1,873 1,874 27.969,875 11.364,876 6.342,877 2.175,878 132.143,879 18.445,883 1.52,884 6.815,886 34.416,887 687.583,888 56,889 -3.936,890 50.01,893 -0.803,895 69.138,896 76.985,897 0.266,898 0.597,899 0.753,900 0.824,901 0.858,902 0.872,903 5.306,904 2.117,905 6.209,906 5.977,907 4.796,908 5.4,909 2.123,910 7.081,911 4.727,912 6.57,913 1.85,914 7.818,915 5.897,916 4.635,917 5.527,918 1.305,919 8.258,920 4.51,921 7.93,922 1.626,923 9.535,924 5.558,925 6.488,926 7.744,927 2.636,928 11.333,929 6.333,930 9.329,931 1.571,932 11.317,933 4.744,934 7.099,935 8.663,936 2.354,937 13.344,938 6.863,939 10.763,940 1.128,941 13.143,942 4.506,943 8.507,944 10.439,945 3.328,946 16.022,947 8.239,948 12.222,949 1,950 15.001,951 2.801,952 9.455,953 11.706,954 3.363,955 18.352,956 9.098,957 13.701,958 1,959 16.882,960 2.29,961 10.716,962 13.331,963 4.13,964 20.914,965 10.315,966 3.389,967 0.882,968 18.783,969 2.275,970 11.811,971 14.755,972 4.36,973 23.361,974 11.326,975 3.361,976 12.497,977 20.699,978 2.275,979 13.027,980 16.327,981 5.005,982 25.889,983 12.489,984 2.784,985 12.221,986 22.626,987 4.732,988 14.187,989 17.821,990 5.349,991 28.378,992 13.572,993 2.654,994 9.193,995 24.563,996 4.704,997 15.393,998 19.375,999 5.924,1000 30.896,1001 14.719,1002 2.433,1003 8.155,1004 26.508,1005 3.754,1006 16.581,1007 20.9,1008 6.332,1009 33.401,1010 15.837,1011 2.379,1012 6.953,1013 28.459,1014 3.459,1015 17.787,1016 22.449,1017 6.869,1018 35.916,1019 16.982,1020 2.211,1021 6.476,1022 30.414,1023 3.399,1024 18.988,1025 23.988,1026 7.313,1027 38.428,1028 18.118,1029 23288,1030 39246,1031 26.065,1032 47.79,1033 62.918,1034 65.415,1035 65.216,1036 62.209,1037 62.196,1038 83.793,1039 6.527,1040 187.028,1041 60.146,1042 5.787,1043 6.689,1044 6.856,1045 5.454,1046 5.389,1047 7.732,1048 2.86,1049 20.045,1050 5.241,1051 25.786,1052 1.535,1053 1.595,1054 1.591,1055 1.517,1056 1.517,1057 2.044,1058 0.159,1059 4.562,1060 1.467,1061 4.15,1062 4.153,1063 4.736,1064 4.168,1065 7.718,1066 4.125,1067 4.069,1068 4.049,1069 4.362,1070 4.059,1071 7.43,1072 3.975,1073 3.881,1074 3.911,1075 3.835,1076 3.834,1077 7.426,1078 3.822,1079 3.708,1080 3.73,1081 3.729,1082 3.609,1083 6.999,1084 3.551,1085 3.65,1086 3.703,1087 3.622,1088 3.516,1089 4.868,1090 3.501,1091 3.516,1092 3.559,1093 3.455,1094 3.324,1095 4.703,1096 3.326,1097 3.373,1098 3.42,1099 3.398,1100 3.236,1101 4.661,1102 3.212,1103 3.26,1104 3.336,1105 3.139,1106 3.12,1107 4.236,1108 3.103,1109 0.118,1110 0.114,1111 0.178,1112 0.105,1113 0.083,1114 4.854,1115 0.115,1116 4.689,1117 0.04,1118 7.306,1119 0.305,1120 4.325,1121 0.079,1122 3.389,1123 4.732,1124 1.629,1125 12.497,1126 3.241,1127 2.005,1128 1.989,1129 2.092,1130 2.06,1131 1.286,1132 2.079,1133 1.97,1134 1.975,1135 2.025,1136 2.037,1137 1.212,1138 2.067,1139 1.899,1140 1.878,1141 2.009,1142 1.968,1143 1.194,1144 1.99,1145 1.628,1146 1.602,1147 1.802,1148 1.844,1149 0.975,1150 1.838,1151 1.563,1152 1.562,1153 1.732,1154 1.793,1155 0.85,1156 1.792,1157 1.45,1158 1.397,1159 1.635,1160 1.623,1161 0.766,1162 1.665,1163 1.337,1164 1.277,1165 1.535,1166 1.512,1167 0.736,1168 1.564,1169 1.247,1170 1.189,1171 1.461,1172 1.423,1173 0.614,1174 1.441,1175 4.419,1177 5.778,1178 2.398,1179 7.317,1180 4.844,1181 8.94,1182 7.081,1183 10.613,1185 9.493,1190 0.781,1191 4.651,1195 1.598,1199 44.673,1200 112.272,1201 251.584,1202 317.475,1203 347.449,1204 361.714,1205 367.714,1206 98.862,1207 8.227,1208 95.58,1209 132.2,1210 23,1211 12.993,1212 4.755,1213 4,1214 68.11,1215 217,1216 220,1217 0.154,1218 282.876,1219 490.72,1220 681.977,1221 49726,1223 27.612,1224 0.727,1225 0.624,1226 28.216,1227 23.717,1228 17.957,1229 0.438,1230 0.353,1231 12.254,1232 16.289,1233 11.51,1234 9.683,1235 19.187,1236 14.48,1237 17.428,1238 0.29,1239 0.205,1240 19.318,1241 12.289,1242 13.73,1243 0.178,1244 0.116,1245 15.811,1246 8.896,1247 11.19,1248 0.111,1249 0.064,1250 13.288,1251 6.507,1252 8.745,1253 0.068,1254 0.036,1255 10.487,1256 4.656,1257 0.25,1258 123.771,1259 0.196,1260 34.98,1261 0.399,1262 202,1263 588.974,1264 278.595,1265 617.541,1266 832.18,1267 568,1268 238,1269 560.922,1270 324.937,1271 630.67,1272 918.56,1273 586,1274 5.06}
{0 CHEMBL165010,1 1.406,2 9.25,3 4.419,4 19.524,5 85.779,6 7.9,7 0.571,8 3.642,9 3.734,10 3.31,11 3.335,12 4.811,13 3.256,14 4.089,15 4.221,16 3.572,17 3.674,18 5.327,19 3.559,20 4.288,21 4.455,22 3.551,23 3.774,24 5.321,25 3.635,26 4.363,27 4.572,28 3.389,29 3.735,30 5.297,31 3.57,32 4.366,33 4.611,34 3.405,35 3.667,36 5.32,37 3.522,38 4.278,39 4.484,40 3.403,41 3.582,42 5.396,43 3.456,44 4.183,45 4.384,46 3.225,47 3.413,48 5.351,49 3.271,50 3.984,51 4.242,52 3.111,53 3.198,54 5.027,55 3.008,56 0.027,57 0.408,58 7.162,59 3.608,60 7.342,61 4.375,62 0.147,63 0.67,64 14.558,65 6.328,66 31.111,67 7.539,68 0.094,69 0.814,70 16.928,71 7.477,72 22.55,73 9.19,74 0.094,75 0.885,76 18.653,77 8.107,78 22.43,79 10.41,80 0.082,81 0.883,82 18.161,83 7.924,84 21.762,85 10.675,86 0.106,87 0.803,88 17.936,89 7.354,90 27.743,91 9.019,92 0.185,93 0.711,94 15.748,95 6.308,96 42.71,97 7.368,98 0.109,99 0.622,100 15.736,101 5.999,102 25.486,103 7.143,104 16,105 27,106 0.256,107 0.573,108 0.731,109 0.843,110 0.867,111 0.867,112 3.057,113 1.076,114 -5.41,115 -5.3,116 -4.95,118 47.2,120 1,123 1,129 2,133 8,134 3,135 1,145 1,150 1,153 1,154 14,155 1,158 1,160 1,162 1,164 20,165 1,167 1,170 1,171 20,172 1,175 1,179 1,180 15,181 2,184 2,189 2,192 14,193 3,196 3,200 3,202 11,203 2,206 2,210 2,211 6,212 2,215 2,219 2,222 3,223 2,226 2,230 2,233 2,236 542,237 13.508,238 13.508,239 13.508,240 13.508,241 13.508,242 11.72,243 11.883,244 8.23,245 13.802,246 10.315,247 10.315,248 10.315,249 10.315,250 10.315,251 7.608,252 13.301,253 3.864,254 10.625,255 3.764,256 2.023,257 1.153,258 0.542,259 0.41,260 0.41,261 3.719,265 1,266 1,267 377,268 3,271 135.196,277 1.4,278 13.758,279 1,280 0.75,281 1,282 1,283 0.6,284 0.5,285 1,286 1,287 0.84,288 42,289 185,290 4.256,291 4.327,292 6.168,293 3.892,294 2.893,295 3.876,296 2.95,297 9.174,298 2.89,299 4.002,300 3.474,301 5.466,302 3.563,303 2.598,304 3.604,305 1.437,306 7.278,307 2.515,308 3.632,309 3.084,310 5.111,311 3.213,312 2.221,313 2.884,314 0.68,315 6.268,316 2.184,317 3.451,318 2.614,319 4.671,320 3.07,321 2.115,322 2.739,324 5.18,325 1.983,326 2.957,327 2.4,328 4.284,329 2.508,330 1.509,331 2.113,333 4.019,334 1.503,335 2.858,336 1.664,337 3.623,338 2.417,339 1.42,340 1.997,342 3.034,343 1.413,344 2.5,345 1.482,346 3.414,347 2,348 1,349 1.5,351 2.275,352 1,353 2.316,354 1,355 3.024,356 1.62,357 0.639,358 0.96,360 1.362,361 0.616,362 1.757,363 0.89,364 2.894,365 1.413,366 0.556,367 0.655,369 0.969,370 0.462,371 1.333,372 0.857,373 2.571,374 1.002,375 0.053,376 0.065,378 0.109,379 0.05,380 0.884,381 0.429,382 2,383 0.513,384 -0.453,385 -0.562,387 -0.942,388 -0.427,389 0.653,390 0.177,391 2,392 0.223,393 -0.765,394 -0.969,395 -1.818,396 -0.737,397 0.5,398 -0.417,399 1.937,401 -1,402 -1.371,403 -2,404 -0.964,405 0.486,406 -0.742,407 1.598,409 -1,410 -1.443,411 -2.829,412 -1,413 0.259,414 -1,415 1.232,416 -0.138,417 -1.105,418 -1.5,419 -3,420 -1.033,421 10,422 0.5,423 0.4,424 0.02,425 26.5,426 1.325,427 15.5,428 0.775,429 11,430 0.55,431 13.562,432 0.678,433 20.6,434 0.572,435 17.263,436 0.863,437 5.287,438 0.264,439 4.399,440 0.22,441 0.117,443 0.25,447 0.736,448 0.859,449 0.772,450 0.815,451 0.74,452 0.851,453 0.396,454 1.028,455 1.137,456 1.125,457 0.343,458 1.018,459 0.728,460 1.059,461 1.061,462 1.061,463 0.719,464 1.111,465 0.557,466 1.1,467 0.98,468 1.066,469 0.576,470 1.152,471 0.437,472 0.887,473 0.576,474 0.778,475 0.454,476 0.877,477 0.967,478 1.046,479 0.914,480 1.008,481 0.964,482 0.992,483 1.732,484 0.984,485 0.977,486 0.889,487 1.771,488 1.05,489 0.976,490 0.829,491 0.894,492 0.852,493 0.92,494 0.779,495 4,496 0.07,497 1.778,498 0.625,499 0.924,500 0.5,501 0.263,502 0.304,503 0.144,504 0.081,505 3637,506 11369,507 1.995,508 44.4,509 2,510 13,513 1,517 1.618,518 1.875,519 3.2,520 -0.37,522 1,525 50.63,526 1.406,527 3.147,528 4.017,529 4.628,530 4.76,531 4.76,532 2.666,533 3.784,534 4.289,535 3.324,536 631.494,537 7.329,538 6603.78,540 1,541 1,542 186.117,543 1.353,544 4.255,545 0.19,546 0.014,547 0.066,548 0.024,549 0.042,550 0.022,551 0.012,552 0.019,553 0.011,554 0.008,555 0.408,556 0.5,557 1,558 1.391,559 89.565,560 -0.06,561 0.096,562 0.04,563 0.105,564 -0.1,565 0.059,566 0.239,567 -0.042,568 -0.109,569 -0.088,570 0.278,571 -0.058,572 -0.09,573 -0.098,574 -0.167,575 -0.11,576 -0.062,577 -0.153,578 -0.03,579 -0.154,580 -0.147,581 -0.156,582 -0.047,583 -0.173,584 0.101,585 0.045,586 0.161,587 0.07,588 0.093,589 0.116,590 0.002,591 -0.089,592 -0.016,593 -0.083,594 0.011,595 -0.027,596 -0.232,597 -0.032,598 -0.102,599 -0.001,600 -0.249,601 -0.124,602 0.048,603 0.175,604 0.263,605 0.216,606 0.091,607 0.25,608 2.593,609 3.624,610 0.6,611 15.72,612 0.994,613 1.102,614 4.185,615 17.514,616 0.712,617 3.091,618 3.332,619 3.497,620 3.664,621 3.892,622 3.829,623 3.829,624 3.892,625 3.85,626 3.689,627 5.457,628 0.662,629 284.4,630 3.091,631 4.575,632 5.371,633 6.201,634 7.02,635 7.856,636 8.685,637 9.524,638 10.358,639 11.198,651 8,656 4,658 12,670 36,671 14,672 2,673 21,675 37,676 17,677 12,678 4,679 8,680 3,681 2,682 2,691 1,693 15,694 2,696 2,698 1,699 2,701 1,704 1,707 16,708 2,709 1,710 3,711 1,717 1,718 2,731 2,739 1,741 2,746 1,748 2,749 1,750 1,752 1,756 20,759 1,760 1,763 1,773 5.6,775 1,776 1,779 10.667,780 6.617,781 4.611,782 1.946,785 2.806,786 1.449,787 0.94,788 5.164,789 9.06,790 3.401,791 3.932,792 4.431,793 4.918,794 5.471,795 5.541,796 5.815,797 6.173,798 6.46,799 6.607,800 1,801 26,802 7.344,803 2.963,804 7.833,805 13.992,806 10.95,807 2.333,808 46.667,809 0.001,812 176.567,813 148.724,816 67.828,818 32.22,819 116.505,820 244.395,822 7.19,823 2.535,824 94.762,825 68.738,826 11.107,828 208.786,830 176.567,831 116.505,832 67.828,833 32.22,835 176.567,836 67.828,839 2.535,840 95.018,841 18.952,842 32.22,843 176.567,844 67.828,845 148.724,848 176.567,849 46.771,850 101.953,852 67.828,853 176.567,854 67.828,855 148.724,857 0.56,858 0.306,859 0.155,860 0.093,861 11,862 5,863 0.135,864 5,866 1,867 3.274,868 136.868,870 12,871 82.439,872 1,874 14.575,875 7.086,876 4.357,878 67.828,879 16.305,884 4.539,886 42.683,887 393.119,888 29,890 10.624,891 2.823,893 -0.927,895 35.8,896 39.66,897 0.272,898 0.609,899 0.777,900 0.895,901 0.921,902 0.921,903 4.575,904 0.639,905 5.313,906 2.275,907 4.007,908 4.615,909 3.155,910 6.014,911 3.965,912 5.757,913 0.556,914 6.804,915 1.362,916 3.434,917 4.205,919 6.72,920 3.366,921 7.027,922 0.053,923 8.389,924 0.969,925 5.493,926 6.724,927 5.084,928 9.726,929 5.424,930 8.33,931 -0.453,932 10.031,933 0.109,934 5.707,935 7.089,937 11.261,938 5.61,939 9.661,940 -0.765,941 11.71,942 -0.942,943 7.226,944 9.075,945 7.198,946 13.768,947 7.141,948 11.01,949 -1,950 13.416,951 -1.818,952 7.827,953 9.83,955 15.665,956 7.722,957 12.374,958 -1,959 15.14,960 -2,961 9.098,962 11.552,963 9.351,964 17.99,965 9.005,966 2.893,967 -1.105,968 16.88,969 -2.829,970 9.906,971 12.534,973 20.055,974 9.802,975 2.598,976 9.174,977 18.631,978 -3,979 11.057,980 14.105,981 11.512,982 22.309,983 10.962,984 2.221,985 7.278,986 20.393,987 3.876,988 11.976,989 15.224,991 24.453,992 11.877,993 2.115,994 6.268,995 22.162,996 3.604,997 13.069,998 16.704,999 13.675,1000 26.68,1001 12.977,1002 1.509,1003 5.18,1004 23.939,1005 2.884,1006 14.05,1007 17.908,1009 28.86,1010 13.957,1011 1.42,1012 4.019,1013 25.721,1014 2.739,1015 15.117,1016 19.334,1017 15.838,1018 31.078,1019 15.029,1020 1,1021 3.034,1022 27.509,1023 2.113,1024 16.13,1025 20.59,1027 33.276,1028 16.043,1029 3737,1030 6682,1031 13.811,1032 25.648,1033 30.6,1034 33.566,1035 31.024,1036 29.966,1037 30.01,1038 40.785,1039 10.133,1040 79.338,1041 29.233,1042 5.025,1043 6.327,1044 5.855,1045 4.892,1046 4.893,1047 6.876,1048 5.9,1049 15.421,1050 4.89,1051 9.896,1052 1.457,1053 1.598,1054 1.477,1055 1.427,1056 1.429,1057 1.942,1058 0.483,1059 3.778,1060 1.392,1061 4.002,1062 4.026,1063 4.021,1064 3.964,1065 7.476,1066 3.951,1067 3.838,1068 3.861,1069 3.871,1070 3.809,1071 6.351,1072 3.787,1073 3.542,1074 3.551,1075 3.514,1076 3.381,1077 4.791,1078 3.394,1079 3.268,1080 3.323,1081 3.456,1082 3.253,1083 4.669,1084 3.158,1085 3.064,1086 3.145,1087 2.938,1088 2.94,1089 4.131,1090 2.891,1091 2.97,1092 2.99,1093 2.863,1094 2.749,1095 3.941,1096 2.773,1097 2.854,1098 2.925,1099 2.687,1100 2.735,1101 3.719,1102 2.715,1103 2.703,1104 2.769,1105 2.533,1106 2.559,1107 3.674,1108 2.547,1109 0.203,1110 0.206,1111 0.294,1112 0.185,1113 0.138,1114 4.256,1115 0.185,1116 4.327,1117 0.14,1118 6.168,1119 0.437,1120 3.892,1121 0.138,1122 2.893,1123 3.876,1124 2.95,1125 9.174,1126 2.89,1127 1.987,1128 1.966,1129 2.09,1130 2.05,1131 1.268,1132 2.067,1133 1.845,1134 1.825,1135 1.945,1136 1.908,1137 1.057,1138 1.93,1139 1.47,1140 1.45,1141 1.624,1142 1.666,1143 0.713,1144 1.642,1145 1.281,1146 1.235,1147 1.529,1148 1.427,1149 0.612,1150 1.508,1151 1.095,1152 1.019,1153 1.407,1154 1.291,1155 0.557,1156 1.336,1157 0.886,1158 0.848,1159 1.181,1160 1.154,1161 0.218,1162 1.126,1163 0.874,1164 0.821,1165 1.11,1166 1.062,1167 0.147,1168 1.107,1169 0.7,1170 0.649,1171 0.943,1172 0.923,1174 0.956,1175 3.761,1177 5.017,1179 6.466,1181 8.001,1183 9.579,1185 2.057,1189 8.724,1190 0.8,1193 1.722,1199 23.831,1200 50.63,1201 113.288,1202 144.608,1203 166.608,1204 171.362,1205 171.362,1206 30.969,1207 6.254,1208 37.3,1209 62.6,1210 12,1211 11.765,1212 3.907,1213 3.17,1214 36.409,1215 63,1216 70,1217 0.28,1218 154.758,1219 271.11,1220 369.369,1221 3726,1223 14.372,1224 0.719,1225 0.603,1226 14.726,1227 12.061,1228 9.686,1229 0.461,1230 0.359,1231 6.385,1232 9.02,1233 6.041,1234 5.073,1235 10.244,1236 7.531,1237 8.307,1238 0.308,1239 0.195,1240 8.799,1241 5.275,1242 6.361,1243 0.199,1244 0.117,1245 6.854,1246 3.758,1247 4.826,1248 0.127,1249 0.063,1250 5.148,1251 2.39,1252 4.037,1253 0.084,1254 0.035,1255 4.321,1256 1.684,1257 0.437,1258 64.847,1259 0.269,1260 20.124,1261 0.773,1262 96,1263 274.746,1264 119.37,1265 292.588,1266 386.46,1267 272,1268 107,1269 254.381,1270 123.02,1271 274.926,1272 389.36,1273 256,1274 4.081}
{0 CHEMBL166351,1 1.531,2 8.6,3 5.206,4 27.098,5 82.482,6 9.599,7 0.571,8 3.549,9 3.623,10 3.318,11 3.248,12 4.792,13 3.207,14 3.989,15 4.09,16 3.694,17 3.61,18 5.354,19 3.539,20 4.25,21 4.397,22 3.864,23 3.747,24 5.442,25 3.628,26 4.254,27 4.45,28 3.504,29 3.642,30 5.281,31 3.501,32 4.194,33 4.396,34 3.474,35 3.573,36 5.277,37 3.457,38 4.161,39 4.33,40 3.55,41 3.524,42 5.411,43 3.434,44 4.12,45 4.295,46 3.501,47 3.386,48 5.424,49 3.278,50 3.827,51 4.022,52 3.313,53 3.081,54 5.14,55 2.946,56 0.056,57 0.334,58 3.723,59 2.594,60 9.577,61 3.057,62 0.158,63 0.525,64 6.885,65 4.317,66 27.621,67 5.359,68 0.259,69 0.684,70 18.61,71 6.374,72 34.291,73 7.602,74 0.221,75 0.719,76 17.795,77 6.798,78 34.886,79 8.603,80 0.19,81 0.683,82 17.488,83 6.457,84 28.374,85 8.319,86 0.203,87 0.64,88 14.679,89 5.898,90 30.822,91 7.009,92 0.315,93 0.599,94 15.301,95 5.779,96 51.78,97 6.132,98 0.232,99 0.421,100 17.161,101 4.793,102 30.838,103 5.456,104 20,105 28,106 0.286,107 0.594,108 0.749,109 0.887,110 0.922,111 0.922,112 3.057,113 0.964,114 -5.92,115 -5.78,116 -5.38,118 50,120 1,129 2,133 7,134 3,135 2,145 1,150 1,153 1,154 13,155 1,158 1,160 1,162 1,164 18,165 1,167 1,170 1,171 21,172 1,175 1,179 1,180 16,181 2,184 2,189 2,192 13,193 3,196 3,200 3,202 10,203 2,206 2,210 2,211 7,212 2,215 2,219 2,222 5,223 1,226 1,230 1,233 2,234 1,236 526,237 13.137,238 13.137,239 13.137,240 13.137,241 13.137,242 11.245,243 11.721,244 7.898,245 13.377,246 10.355,247 10.355,248 10.355,249 10.355,250 10.355,251 7.572,252 13.822,253 3.778,254 10.877,255 3.469,256 1.818,257 0.989,258 0.25,259 0.063,260 0.063,261 3.714,262 2,265 1,266 1,267 350,268 2.915,271 133.69,277 1.3,278 19.953,280 0.75,281 0.83,282 1,283 0.6,285 1,286 1,287 0.74,288 42.667,289 172,290 4.285,291 3.474,292 6.174,293 3.905,294 2.921,295 3.924,296 1.437,297 9.196,298 2.892,299 4.159,300 3.33,301 5.938,302 3.683,303 2.762,304 3.795,305 0.68,306 8.26,307 2.525,308 3.638,309 3.045,310 5.203,311 3.219,312 2.231,313 2.894,315 6.399,316 2.181,317 3.476,318 2.453,319 4.671,320 3.073,321 2.116,322 2.782,324 5.179,325 1.899,326 2.957,327 2.134,328 4.287,329 2.505,330 1.506,331 2.113,333 4.016,334 1.498,335 2.855,336 1.645,337 4.039,338 2.411,339 1.414,340 1.995,342 3.521,343 1.402,344 2.819,345 1.477,346 3.623,347 2.305,348 1.414,349 1.947,351 3.032,352 1.198,353 2.316,354 0.881,355 3.016,356 1.615,357 0.613,358 0.958,360 1.35,361 0.608,362 1.585,363 0.804,364 2.876,365 1.196,366 0.299,367 0.37,369 0.686,370 0.229,371 1.198,372 0.446,373 2.377,374 0.757,375 -0.103,376 -0.127,378 -0.24,379 -0.078,380 0.806,381 0.273,382 2.229,383 0.378,384 -0.545,385 -0.674,387 -1.381,388 -0.423,389 0.664,390 -0.095,391 2,392 0.204,393 -0.753,394 -0.965,395 -1.88,396 -0.643,397 0.486,398 -0.472,399 1.885,401 -1,402 -1.307,403 -2,404 -0.876,405 0.366,406 -0.762,407 1.481,408 -0.065,409 -1,410 -1.382,411 -2.568,412 -0.964,413 -0.05,414 -1.12,415 1.281,416 -0.273,417 -1.254,418 -1.723,419 -3.308,420 -1.117,421 10.095,422 0.505,423 0.527,424 0.026,425 26.5,426 1.325,427 15,428 0.75,429 11.5,430 0.575,431 13.931,432 0.697,433 20.505,434 0.641,435 17.745,436 0.887,437 5.518,438 0.276,439 4.041,440 0.202,441 0.208,443 0.297,447 0.654,448 0.87,449 0.526,450 0.705,451 0.708,452 0.74,453 0.441,454 1.063,455 0.623,456 0.874,457 0.383,458 0.938,459 0.737,460 1.057,461 0.858,462 0.984,463 0.726,464 1.075,465 0.653,466 1.043,467 0.883,468 1.027,469 0.634,470 1.1,471 0.588,472 0.967,473 0.771,474 0.963,475 0.56,476 0.962,477 0.933,478 1.111,479 0.804,480 1.019,481 0.999,482 1.017,483 1.478,484 1.011,485 0.943,486 0.869,487 1.639,488 0.97,489 1.43,490 0.948,491 1.44,492 1.032,493 1.222,494 0.945,495 4.5,496 0.058,497 2.222,498 0.938,499 0.996,500 0.493,501 0.385,502 0.358,503 0.164,504 0.111,505 3513,506 14421,507 1.966,508 37.5,509 2,510 9,513 1,517 1.619,518 1.818,519 3.118,520 -0.32,525 48.98,526 1.531,527 3.182,528 4.011,529 4.75,530 4.938,531 4.938,532 2.528,533 3.822,534 4.292,535 3.243,536 616.081,537 7.341,538 6408.77,542 160,543 1.485,544 4.237,545 0.214,546 0.012,547 0.079,548 0.035,549 0.045,550 0.021,551 0.017,552 0.02,553 0.013,554 0.014,555 0.47,556 0.5,557 0.88,558 1.329,559 88.977,560 -0.059,561 0.096,562 -0.012,563 0.078,564 -0.107,565 0.051,566 0.172,567 -0.103,568 0.01,569 -0.044,570 0.235,571 -0.09,572 -0.002,573 -0.098,574 0.036,575 -0.054,576 -0.029,577 -0.129,578 -0.027,579 -0.061,580 -0.059,581 -0.069,582 -0.038,583 -0.079,584 0.033,585 0.022,586 0.023,587 -0.004,588 0.048,589 0.07,590 -0.055,591 -0.129,592 -0.015,593 -0.082,594 -0.059,595 -0.051,596 -0.234,597 -0.022,598 -0.006,599 0.127,600 -0.264,601 0.011,602 -0.158,603 0.006,604 -0.018,605 0.08,606 -0.042,607 0.135,608 2.63,609 3.605,610 0.6,611 14.53,612 1.015,613 1.1,614 4.691,615 22.001,616 0.749,617 3.091,618 3.367,619 3.526,620 3.689,621 3.912,622 3.85,623 3.85,624 3.912,625 3.85,626 3.714,627 5.249,628 0.712,629 307.18,630 3.091,631 4.595,632 5.398,633 6.24,634 7.067,635 7.913,636 8.75,637 9.597,638 10.438,639 11.287,651 7,656 5,658 12,669 2,670 32,671 14,672 2,673 21,675 33,676 16,677 12,678 5,679 7,680 3,681 2,682 2,683 2,691 1,693 15,694 1,696 2,698 1,699 2,701 1,707 12,708 2,709 1,710 4,711 2,717 1,718 2,731 2,739 1,741 2,746 1,748 2,753 2,756 20,759 1,760 1,772 2,773 6.3,775 1,776 1,779 11,780 5.652,781 4.472,782 1.76,785 2.814,786 1.45,787 0.944,788 4.961,789 9.07,790 3.401,791 3.97,792 4.466,793 4.951,794 5.494,795 5.58,796 5.828,797 6.207,798 6.49,799 6.657,800 0.833,801 27,802 7.313,803 3.017,804 8.036,805 13.601,806 10.72,807 2.536,808 50.722,812 129.482,813 105.289,815 78.297,816 67.828,819 105.289,820 275.608,823 2.535,824 85.286,825 68.738,826 16.558,828 129.482,829 78.297,830 129.482,831 105.289,832 67.828,833 78.297,835 129.482,836 67.828,839 2.535,840 83.802,841 97.25,843 129.482,844 67.828,845 183.586,848 129.482,849 20.002,850 85.286,852 146.126,853 129.482,854 67.828,855 183.586,857 0.575,858 0.311,859 0.152,860 0.091,861 12,862 6,863 0.121,864 4,866 1,867 3.212,868 139.185,870 12,871 86.439,874 14.792,875 6.708,876 4.196,878 67.828,879 13.129,884 3.97,886 42.683,887 380.896,888 29,890 10.605,891 2.725,893 -0.964,895 32.487,896 35.213,897 0.306,898 0.636,899 0.802,900 0.95,901 0.988,902 0.988,903 4.595,904 0.613,905 5.371,906 3.032,907 4.043,908 4.654,909 1.801,910 6.103,911 3.954,912 5.804,913 0.299,914 6.889,915 1.35,916 3.611,917 4.388,919 6.862,920 3.386,921 7.092,922 -0.103,923 8.503,924 0.686,925 5.565,926 6.802,927 2.297,928 9.886,929 5.414,930 8.413,931 -0.545,932 10.173,933 -0.24,934 5.889,935 7.288,937 11.439,938 5.608,939 9.76,940 -0.753,941 11.878,942 -1.381,943 7.347,944 9.2,945 2.933,946 13.977,947 7.134,948 11.126,949 -1,950 13.606,951 -1.88,952 8.033,953 10.063,955 15.873,956 7.721,957 12.507,958 -1,959 15.352,960 -2,961 9.274,962 11.733,963 3.621,964 18.219,965 9.004,966 2.921,967 -1.254,968 17.111,969 -2.568,970 10.142,971 12.804,973 20.273,974 9.805,975 2.762,976 9.196,977 18.879,978 -3.308,979 11.282,980 14.341,981 4.33,982 22.537,983 10.965,984 2.231,985 8.26,986 20.656,987 3.924,988 12.243,989 15.53,991 24.667,992 11.884,993 2.116,994 6.399,995 22.438,996 3.795,997 13.336,998 16.993,999 5.048,1000 26.895,1001 12.984,1002 1.506,1003 5.179,1004 24.225,1005 2.894,1006 14.344,1007 18.25,1009 29.062,1010 13.966,1011 1.414,1012 4.016,1013 26.015,1014 2.782,1015 15.416,1016 19.669,1017 5.769,1018 31.276,1019 15.039,1020 1.414,1021 3.521,1022 27.809,1023 2.113,1024 16.448,1025 20.967,1027 33.462,1028 16.055,1029 3622,1030 7427,1031 13.523,1032 23.955,1033 31.322,1034 32.006,1035 31.656,1036 30.852,1037 30.555,1038 41.555,1039 4.233,1040 83.276,1041 28.864,1042 5.053,1043 5.474,1044 5.86,1045 4.905,1046 4.921,1047 6.924,1048 2.873,1049 15.494,1050 4.892,1051 11.152,1052 1.492,1053 1.524,1054 1.507,1055 1.469,1056 1.455,1057 1.979,1058 0.202,1059 3.966,1060 1.374,1061 4.004,1062 4.026,1063 4.121,1064 3.962,1065 7.476,1066 3.954,1067 3.843,1068 3.86,1069 3.881,1070 3.803,1071 6.351,1072 3.793,1073 3.542,1074 3.551,1075 3.487,1076 3.379,1077 5.042,1078 3.394,1079 3.185,1080 3.23,1081 3.404,1082 3.105,1083 4.75,1084 3.083,1085 2.973,1086 2.991,1087 3.334,1088 2.792,1089 4.491,1090 2.776,1091 2.878,1092 2.921,1093 2.891,1094 2.75,1095 4.252,1096 2.765,1097 2.747,1098 2.796,1099 2.806,1100 2.649,1101 4.131,1102 2.632,1103 2.539,1104 2.597,1105 2.498,1106 2.314,1107 3.699,1108 2.323,1109 0.204,1110 0.165,1111 0.294,1112 0.186,1113 0.139,1114 4.285,1115 0.187,1116 3.474,1117 0.068,1118 6.174,1119 0.438,1120 3.905,1121 0.138,1122 2.921,1123 3.924,1124 1.437,1125 9.196,1126 2.892,1127 1.985,1128 1.965,1129 2.082,1130 2.047,1131 1.265,1132 2.063,1133 1.836,1134 1.819,1135 1.915,1136 1.898,1137 1.035,1138 1.914,1139 1.47,1140 1.45,1141 1.624,1142 1.666,1143 0.627,1144 1.642,1145 1.187,1146 1.144,1147 1.404,1148 1.324,1149 0.591,1150 1.363,1151 0.874,1152 0.849,1153 1.113,1154 1.154,1155 0.167,1156 1.126,1157 0.867,1158 0.824,1159 1.084,1160 1.012,1161 0.142,1162 1.056,1163 0.727,1164 0.692,1165 0.932,1166 0.925,1168 0.957,1169 0.49,1170 0.438,1171 0.748,1172 0.72,1174 0.757,1175 3.761,1177 5.043,1179 6.512,1181 8.067,1183 9.666,1186 11.89,1189 8.703,1190 0.664,1199 22.772,1200 48.98,1201 101.819,1202 128.349,1203 152,1204 158,1205 158,1206 35.658,1207 6.256,1208 37.3,1209 37.3,1210 12,1211 11.848,1212 3.907,1213 3.17,1214 36.34,1215 61,1216 58,1217 0.291,1218 150.7,1219 265.72,1220 359.468,1221 3680,1222 6.3,1223 14.535,1224 0.727,1225 0.601,1226 15.535,1227 12.027,1228 9.559,1229 0.455,1230 0.321,1231 6.02,1232 8.842,1233 5.8,1234 4.807,1235 10.136,1236 6.745,1237 8.645,1238 0.309,1239 0.183,1240 9.387,1241 5.11,1242 6.524,1243 0.198,1244 0.108,1245 7.439,1246 3.578,1247 4.823,1248 0.124,1249 0.057,1250 5.225,1251 2.209,1252 4.043,1253 0.083,1254 0.032,1255 4.413,1256 1.559,1257 0.449,1258 64.857,1259 0.272,1260 19.956,1261 0.814,1262 98,1263 316.292,1264 133.467,1265 370.506,1266 469.51,1267 340,1268 110,1269 281.392,1270 139.887,1271 308.675,1272 443.05,1273 289,1274 4.387}
{0 CHEMBL172250,1 1.609,2 14.719,3 4.604,4 21.198,5 118.284,6 7.364,7 0.182,8 4.241,9 4.349,10 3.776,11 3.744,12 5.337,13 3.696,14 4.847,15 5.009,16 4.201,17 4.172,18 6.304,19 4.081,20 5.198,21 5.429,22 4.204,23 4.327,24 6.227,25 4.19,26 5.271,27 5.526,28 4.123,29 4.308,30 6.331,31 4.154,32 5.234,33 5.494,34 4.162,35 4.245,36 6.252,37 4.105,38 5.191,39 5.446,40 4.007,41 4.207,42 6.216,43 4.065,44 5.202,45 5.458,46 4.025,47 4.192,48 6.259,49 4.036,50 5.12,51 5.379,52 3.979,53 4.111,54 6.321,55 3.958,56 0.193,57 1.052,58 15.007,59 7.528,60 52.85,61 8.712,62 0.968,63 2.047,64 31.918,65 13.03,66 202.965,67 15.645,68 0.845,69 1.995,70 48.642,71 16.686,72 156.118,73 21.243,74 1.164,75 2.109,76 53.89,77 17.306,78 209.731,79 22.047,80 1.065,81 2.03,82 54.838,83 16.478,84 180.754,85 21.092,86 1.049,87 1.729,88 46.704,89 15.074,90 198.218,91 20.201,92 1.238,93 1.771,94 50.894,95 15.365,96 224.785,97 19.802,98 1.354,99 1.658,100 49.811,101 14.412,102 241.563,103 18.588,104 75,105 45,106 0.263,107 0.53,108 0.712,109 0.849,110 0.895,111 0.905,112 3.501,113 1.102,114 -4.85,115 -4.76,116 -4.47,118 35.4,120 9,121 2,124 1,125 3,127 1,133 4,134 1,135 1,145 1,150 1,153 1,154 13,155 1,158 1,160 1,162 6,164 16,165 1,167 1,170 7,171 14,172 1,175 1,178 1,179 6,180 10,181 1,184 1,189 7,192 9,193 1,196 1,199 1,200 7,202 10,203 1,206 1,209 1,210 6,211 11,212 1,215 1,219 5,222 9,223 1,226 1,230 5,231 1,233 9,234 2,236 2082,237 20.507,238 20.507,239 20.507,240 20.507,241 20.507,242 19.615,243 15.83,244 12.293,245 21.059,246 16.279,247 16.279,248 16.279,249 16.279,250 16.279,251 14.905,252 12.447,253 5.871,254 17.304,255 4.413,256 2.775,257 1.658,258 0.816,259 0.535,260 0.473,261 4.163,265 1,266 1,267 951,268 5,270 111.237,271 127.092,277 2.656,278 67.299,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 73.5,289 471,290 4.452,291 4.477,292 7.116,293 4.178,294 3.319,295 3.864,296 3.825,297 11.689,298 3.088,299 4.148,300 4.399,301 6.682,302 4.13,303 3.148,304 3.148,305 2.95,306 10.723,307 2.879,308 3.794,309 3.596,310 5.404,311 3.421,312 2.528,313 3.087,314 2.341,315 7.154,316 2.242,317 3.55,318 3.258,319 5.351,320 3.243,321 2.29,322 2.71,324 6.289,325 2.223,326 3.343,327 2.932,328 5,329 3.234,330 2.236,331 2.358,333 5.908,334 2.126,335 3.043,336 2.336,337 4.663,338 2.993,339 2.036,340 2.068,342 5.184,343 1.941,344 2.919,345 2.228,346 4.657,347 2.753,348 1.775,349 2.019,351 4.755,352 1.727,353 2.788,354 1.985,355 4.499,356 2.571,357 1.605,358 1.788,360 4.439,361 1.548,362 2.607,363 1.898,364 3.796,365 2.485,366 1.562,367 1.606,369 3.446,370 1.4,371 2.571,372 1.723,373 3.514,374 2.109,375 1.133,376 1.599,378 2.575,379 1.098,380 2.167,381 1.317,382 3.468,383 2.092,384 1.112,385 1.15,387 2.455,388 1.078,389 1.877,390 1.218,391 3.213,392 1.775,393 0.817,394 0.849,395 1.858,396 0.771,397 1.589,398 0.951,399 2.947,400 1.4,401 0.505,402 0.535,403 1.155,404 0.437,405 1.282,406 0.615,407 2.726,408 1.168,409 0.221,410 0.227,411 0.483,412 0.208,413 0.847,414 0.51,415 2.61,416 0.735,417 -0.231,418 -0.235,419 -0.535,420 -0.22,421 14.857,422 0.464,423 1.012,424 0.032,425 26.5,426 0.828,427 8,428 0.25,429 18.5,430 0.578,431 40.546,432 1.267,433 39.743,434 0.611,435 20.882,436 0.653,437 4.352,438 0.136,439 10.723,440 0.335,441 0.17,442 0.034,443 0.269,444 3,447 0.72,448 0.987,449 0.819,450 1.079,451 0.741,452 1.077,453 0.458,454 0.921,455 0.944,456 1.259,457 0.436,458 1.242,459 0.688,460 0.876,461 0.951,462 1.109,463 0.656,464 1.086,465 0.811,466 0.903,467 1.005,468 1.022,469 0.774,470 1.027,471 0.745,472 0.883,473 0.885,474 1.049,475 0.729,476 0.978,477 0.729,478 0.737,479 0.826,480 0.907,481 0.707,482 0.99,483 0.892,484 0.77,485 0.991,486 0.935,487 0.868,488 0.989,489 0.73,490 0.78,491 1.052,492 1.015,493 0.711,494 0.946,495 8,496 0.267,497 3.778,498 2.514,499 1.45,500 1.08,501 0.616,502 0.465,503 0.311,504 0.294,505 14742,506 52732,507 1.902,508 50.8,509 12,510 9,513 4,514 2,515 4,516 2,517 1.741,518 1.738,519 3.782,520 1.601,525 104.582,526 1.609,527 3.248,528 4.364,529 5.207,530 5.488,531 5.549,532 3.243,533 4.539,534 4.967,535 4.051,536 2009.35,537 8.673,538 32201.4,542 391.454,543 1.669,544 4.892,545 0.242,546 0.008,547 0.084,548 0.058,549 0.037,550 0.028,551 0.017,552 0.014,553 0.009,554 0.009,555 0.508,557 0.75,558 1.844,559 173.582,560 -0.079,561 0.071,562 0.004,563 0.135,564 -0.095,565 0.078,566 0.284,567 0.169,568 -0.002,569 -0.078,570 0.312,571 -0.135,572 -0.025,573 -0.1,574 0.007,575 -0.063,576 -0.005,577 -0.045,578 -0.031,579 -0.05,580 -0.023,581 -0.02,582 -0.012,583 -0.019,584 -0.007,585 -0.103,586 0.1,587 -0.055,588 -0.013,589 0.029,590 -0.01,591 -0.031,592 0.029,593 -0.005,594 -0.013,596 -0.062,597 0.004,598 -0.011,599 0.026,600 -0.067,601 -0.007,602 0.089,603 0.02,604 0.017,605 0.01,606 0.081,607 0.05,608 5.653,609 4.82,610 0.344,611 42.012,612 1.018,613 1.146,614 3.625,615 13.14,616 0.622,617 3.526,618 3.829,619 3.951,620 4.111,621 4.22,622 4.159,623 4.19,624 4.143,625 4.159,626 4.22,627 8.781,628 0.591,629 478.63,630 3.526,631 5.056,632 5.855,633 6.713,634 7.538,635 8.4,636 9.239,637 10.102,638 10.951,639 11.816,651 4,656 2,658 6,670 65,671 7,672 1,673 33,675 66,676 23,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,690 1,691 12,693 7,694 16,695 2,696 1,698 1,701 1,705 3,707 33,708 8,709 4,710 9,711 1,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,749 1,750 1,754 3,756 32,759 4,760 10,763 1,764 5,766 1,772 3,773 7.7,774 3,775 1,776 1,779 18.417,780 10.562,781 7.083,782 4.1,785 1.053,786 1.148,787 0.836,788 10.989,789 8.152,790 3.638,791 4.052,792 4.334,793 4.683,794 5.032,795 4.968,796 5.096,797 4.85,798 4.939,799 5.021,800 0.9,801 43,802 12.47,803 5.814,804 8.398,805 22.352,806 18.802,807 2.898,808 92.75,812 341.362,813 107.241,816 195.878,817 44.88,818 32.22,819 75.021,820 537.24,821 44.88,823 23.71,824 165.955,825 68.738,826 49.617,828 373.581,829 7.76,830 341.362,831 75.021,832 240.759,833 32.22,835 270.735,836 183.335,837 128.05,839 31.47,840 43.551,842 32.22,843 386.242,844 195.878,845 107.241,848 349.121,849 61.576,850 37.905,852 240.759,853 341.362,854 240.759,855 107.241,857 0.58,858 0.306,859 0.149,860 0.08,861 17,862 10,863 0.197,864 13,866 1,867 4.326,868 255.73,870 11,871 155.245,872 1,874 27.143,875 12.955,876 9.356,878 240.759,879 5.011,884 -0.276,886 170.733,887 689.361,888 37,890 10.544,893 -0.802,895 66.156,896 74.46,897 0.267,898 0.539,899 0.725,900 0.865,901 0.911,902 0.921,903 4.902,904 1.605,905 5.872,906 4.755,907 4.511,908 4.736,909 3.846,910 6.668,911 4.392,912 6.057,913 1.562,914 7.438,915 4.439,916 4.29,917 4.543,918 4.06,919 7.803,920 3.993,921 7.338,922 1.133,923 9.12,924 3.446,925 6.138,926 6.63,927 6.026,928 10.786,929 5.885,930 8.649,931 1.112,932 10.876,933 2.575,934 6.711,935 7.185,936 6.762,937 12.764,938 6.27,939 9.995,940 0.817,941 12.68,942 2.455,943 8.111,944 8.87,945 8.446,946 15.361,947 7.689,948 11.366,949 0.505,950 14.52,951 1.858,952 9.033,953 9.768,954 9.418,955 17.639,956 8.453,957 12.756,958 0.221,959 16.385,960 1.155,961 10.28,962 11.297,963 10.974,964 20.124,965 9.681,966 3.319,967 -0.231,968 18.27,969 0.483,970 11.352,971 12.374,972 12.086,973 22.504,974 10.63,975 3.148,976 11.689,977 20.17,978 -0.535,979 12.549,980 13.828,981 13.562,982 24.955,983 11.781,984 2.528,985 10.723,986 22.081,987 3.864,988 13.685,989 15.009,990 14.762,991 27.372,992 12.817,993 2.29,994 7.154,995 24,996 3.148,997 14.868,998 16.422,999 16.187,1000 29.814,1001 13.939,1002 2.236,1003 6.289,1004 25.926,1005 3.087,1006 16.03,1007 17.666,1008 17.443,1009 32.245,1010 15.015,1011 2.036,1012 5.908,1013 27.857,1014 2.71,1015 17.21,1016 19.054,1017 18.835,1018 34.685,1019 16.128,1020 1.775,1021 5.184,1022 29.792,1023 2.358,1024 18.384,1025 20.338,1026 20.125,1027 37.122,1028 17.223,1029 14992,1030 28664,1031 20.572,1032 40.438,1033 48.869,1034 50.909,1035 49.712,1036 48.882,1037 48.57,1038 54.018,1039 18.232,1040 136.228,1041 45.532,1042 5.432,1043 6.477,1044 6.94,1045 5.28,1046 5.319,1047 6.864,1048 6.775,1049 18.66,1050 5.088,1051 22.151,1052 1.481,1053 1.543,1054 1.506,1055 1.481,1056 1.472,1057 1.637,1058 0.552,1059 4.128,1060 1.38,1061 3.985,1062 4.022,1063 4.042,1064 3.908,1065 8.513,1066 3.888,1067 3.916,1068 3.94,1069 3.851,1070 3.844,1071 7.999,1072 3.834,1073 3.747,1074 3.8,1075 3.659,1076 3.612,1077 7.999,1078 3.599,1079 3.629,1080 3.673,1081 3.605,1082 3.499,1083 7.474,1084 3.476,1085 3.5,1086 3.544,1087 3.387,1088 3.319,1089 6.465,1090 3.316,1091 3.324,1092 3.365,1093 3.343,1094 3.134,1095 6.448,1096 3.109,1097 3.195,1098 3.244,1099 3.167,1100 2.969,1101 6.433,1102 2.979,1103 3.171,1104 3.234,1105 3.026,1106 2.962,1107 6.351,1108 2.967,1109 0.135,1110 0.136,1111 0.216,1112 0.127,1113 0.101,1114 4.452,1115 0.117,1116 4.477,1117 0.116,1118 7.116,1119 0.354,1120 4.178,1121 0.094,1122 3.319,1123 3.864,1124 3.825,1125 11.689,1126 3.088,1127 1.9,1128 1.882,1129 2.055,1130 1.986,1131 1.467,1132 2.01,1133 1.835,1134 1.787,1135 1.98,1136 1.971,1137 1.341,1138 1.983,1139 1.733,1140 1.682,1141 1.956,1142 1.899,1143 1.205,1144 1.92,1145 1.611,1146 1.565,1147 1.842,1148 1.803,1149 1.132,1150 1.815,1151 1.506,1152 1.463,1153 1.737,1154 1.712,1155 1.058,1156 1.723,1157 1.381,1158 1.334,1159 1.626,1160 1.604,1161 0.952,1162 1.611,1163 1.134,1164 1.094,1165 1.41,1166 1.428,1167 0.705,1168 1.387,1169 1.072,1170 1.02,1171 1.276,1172 1.359,1173 0.542,1174 1.329,1175 4.205,1177 5.509,1178 2.398,1179 6.974,1180 4.844,1181 8.519,1182 6.986,1183 10.111,1187 38.461,1189 39.644,1190 5.549,1193 1.163,1194 -2.142,1196 -4.403,1199 38.393,1200 104.582,1201 211.093,1202 283.679,1203 338.434,1204 356.699,1205 360.699,1206 161.876,1207 7.098,1208 97.99,1209 123.29,1210 11,1211 12.366,1212 3,1213 2.322,1214 77.263,1215 167,1216 177,1217 0.218,1218 239.605,1219 440.95,1220 576.395,1221 12611,1222 4.6,1223 23.725,1224 0.741,1225 0.588,1226 21.579,1227 18.823,1228 15.074,1229 0.457,1230 0.367,1231 11.065,1232 13.948,1233 10.842,1234 8.874,1235 14.317,1236 12.122,1237 14.259,1238 0.317,1239 0.216,1240 12.878,1241 9.706,1242 9.892,1243 0.194,1244 0.143,1245 9.649,1246 7.275,1247 7.545,1248 0.126,1249 0.089,1250 7.705,1251 5.35,1252 5.697,1253 0.085,1254 0.056,1255 5.663,1256 3.757,1257 0.358,1258 100.124,1259 0.22,1260 30.868,1261 0.561,1262 156,1263 645.528,1264 206.039,1265 549.486,1266 679.2,1267 504,1268 174,1269 417.542,1270 211.71,1271 411.486,1272 614.26,1273 386,1274 6.495}
{0 CHEMBL173299,1 1.395,2 13.571,3 3.662,4 13.409,5 112.311,6 6.623,7 0.207,8 4.175,9 4.29,10 3.637,11 3.706,12 5.188,13 3.627,14 4.758,15 4.93,16 3.964,17 4.133,18 5.754,19 3.999,20 5.147,21 5.391,22 4.016,23 4.278,24 6.017,25 4.099,26 5.178,27 5.444,28 3.871,29 4.245,30 6.053,31 4.043,32 5.161,33 5.434,34 3.816,35 4.19,36 6.001,37 4.007,38 5.142,39 5.405,40 3.888,41 4.17,42 6.093,43 4.002,44 5.129,45 5.391,46 3.875,47 4.149,48 6.092,49 3.955,50 5.029,51 5.307,52 3.71,53 4.059,54 5.864,55 3.855,56 0.087,57 0.803,58 15.826,59 7.072,60 20.684,61 8.916,62 0.229,63 1.349,64 29.968,65 12.282,66 53.028,67 15.733,68 0.473,69 1.732,70 46.088,71 15.935,72 84.038,73 20.875,74 0.577,75 1.735,76 47.149,77 16.1,78 99.556,79 21.413,80 0.489,81 1.659,82 44.289,83 15.049,84 88.815,85 20.51,86 0.578,87 1.616,88 42.934,89 14.532,90 106.377,91 19.749,92 0.686,93 1.59,94 45.485,95 14.619,96 114.672,97 19.313,98 0.51,99 1.46,100 42.892,101 13.7,102 81.361,103 18.026,104 33,105 37,106 0.23,107 0.495,108 0.68,109 0.825,110 0.881,111 0.891,112 3.373,113 1.179,114 -4.06,115 -4.01,116 -3.79,118 35.5,120 9,121 2,124 1,125 3,133 5,135 1,145 1,150 1,153 1,154 13,155 1,158 1,160 1,162 6,164 16,165 1,167 1,170 7,171 14,172 1,175 1,178 1,179 6,180 10,181 1,184 1,189 7,192 9,193 1,196 1,199 1,200 7,202 10,203 1,206 1,209 1,210 6,211 11,212 1,215 1,219 5,222 9,223 1,226 1,230 5,231 1,233 9,234 2,236 1576,237 18.587,238 18.587,239 18.587,240 18.587,241 18.587,242 17.629,243 11.375,244 11.533,245 18.888,246 14.321,247 14.321,248 14.321,249 14.321,250 14.321,251 12.957,252 7.588,253 5.538,254 14.864,255 4.56,256 2.949,257 1.829,258 0.952,259 0.613,260 0.548,261 4.039,265 1,266 1,267 772,268 4.301,270 96.089,271 110.654,277 2.469,278 38.46,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 61,289 380,290 4.148,291 4.416,292 6.682,293 4.13,294 3.148,295 3.445,296 2.95,297 10.723,298 3.088,299 3.902,300 3.596,301 5.371,302 3.473,303 2.558,304 3.148,305 2.341,306 7.027,307 2.335,308 3.55,309 3.258,310 5.345,311 3.254,312 2.299,313 2.71,315 6.281,316 2.224,317 3.349,318 2.928,319 4.989,320 3.241,321 2.236,322 2.369,324 5.885,325 2.184,326 3.043,327 2.333,328 4.662,329 2.993,330 2.036,331 2.08,333 5.184,334 1.942,335 2.904,336 2.197,337 4.657,338 2.753,339 1.774,340 2.021,342 4.75,343 1.727,344 2.788,345 1.904,346 3.797,347 2.57,348 1.591,349 1.787,351 3.447,352 1.548,353 2.607,354 1.73,355 3.639,356 2.441,357 1.488,358 1.603,360 3.142,361 1.4,362 2.5,363 1.677,364 3.464,365 2.106,366 1.124,367 1.5,369 2.458,370 1.097,371 2.167,372 1.316,373 3.247,374 2,375 1,376 1.15,378 2.136,379 1,380 1.877,381 1,382 3.181,383 1.774,384 0.815,385 0.848,387 1.841,388 0.771,389 1.589,390 0.951,391 2.888,392 1.4,393 0.503,394 0.534,395 1.135,396 0.436,397 1.282,398 0.615,399 2.595,400 1.168,401 0.22,402 0.227,403 0.481,404 0.208,405 0.84,406 0.478,407 2.353,408 0.735,409 -0.231,410 -0.235,411 -0.533,412 -0.22,413 0.689,414 0.308,415 2.228,416 0.362,417 -0.553,418 -0.558,419 -1.29,420 -0.487,421 13.5,422 0.482,423 0.617,424 0.022,425 23.75,426 0.848,427 8,428 0.286,429 15.75,430 0.563,431 34.303,432 1.225,433 33.9,434 0.547,435 14.726,436 0.526,437 3.673,438 0.131,439 9.797,440 0.35,441 0.123,443 0.259,447 0.918,448 1.132,449 0.937,450 1.062,451 0.902,452 1.098,453 0.631,454 1.328,455 1.098,456 1.308,457 0.599,458 1.283,459 0.963,460 1.064,461 1.061,462 1.079,463 0.953,464 1.066,465 0.85,466 1.019,467 1.074,468 1.055,469 0.807,470 1.038,471 0.943,472 0.946,473 0.92,474 0.928,475 0.903,476 0.952,477 0.992,478 0.954,479 0.859,480 0.895,481 0.959,482 0.956,483 1.118,484 0.934,485 1.024,486 0.944,487 1.073,488 0.977,489 0.966,490 0.907,491 1.123,492 1.013,493 0.941,494 0.916,495 5,496 0.188,497 2.667,498 1.826,499 0.961,500 0.781,501 0.494,502 0.278,503 0.262,504 0.274,505 10438,506 28408,507 1.956,508 54.8,509 12,510 10,513 4,514 2,515 4,516 2,517 1.708,518 1.826,519 3.679,520 1.627,522 1,525 86.469,526 1.395,527 3.005,528 4.125,529 5.002,530 5.341,531 5.406,532 3.231,533 4.522,534 4.771,535 3.913,536 1478.94,537 8.287,538 21379.3,540 1,542 369.16,543 1.405,544 4.732,545 0.172,546 0.006,547 0.072,548 0.052,549 0.031,550 0.025,551 0.015,552 0.01,553 0.01,554 0.009,555 0.404,556 0.17,557 0.88,558 1.817,559 145.355,560 -0.105,561 0.14,562 0.017,563 0.143,564 -0.1,565 0.078,566 0.061,567 -0.145,568 -0.083,569 -0.128,570 0.083,571 -0.156,572 -0.068,573 -0.046,574 -0.034,575 -0.038,576 -0.077,577 -0.055,579 -0.038,580 -0.064,581 -0.046,582 0.007,583 -0.047,584 -0.056,585 -0.001,586 -0.012,587 -0.003,588 -0.049,589 0.014,590 0.001,591 -0.011,592 0.028,593 0.007,594 -0.001,595 0.002,596 -0.043,597 0.018,598 -0.006,599 0.024,600 -0.044,601 -0.02,602 -0.062,603 0.058,604 -0.019,605 0.024,606 -0.074,607 0.061,608 2.418,609 4.34,610 0.393,611 35.847,612 0.996,613 1.129,614 2.827,615 7.99,616 0.627,617 3.401,618 3.638,619 3.784,620 3.951,621 4.025,622 3.932,623 3.932,624 3.951,625 4.007,626 4.025,627 7.987,628 0.576,629 410.63,630 3.401,631 4.89,632 5.68,633 6.509,634 7.323,635 8.161,636 8.99,637 9.836,638 10.675,639 11.527,651 5,656 1,658 6,670 62,671 7,672 1,673 29,675 63,676 22,677 6,678 1,679 5,681 2,682 2,688 3,689 2,691 12,693 7,694 15,695 2,696 1,698 1,701 1,704 1,707 34,708 5,709 4,710 6,711 1,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,749 1,750 1,756 28,759 4,760 10,763 1,764 5,773 8.1,774 3,775 1,776 1,779 15.333,780 9.967,781 6.417,782 3.986,785 0.919,786 1.136,787 0.831,788 10.525,789 7.676,790 3.526,791 3.882,792 4.139,793 4.45,794 4.736,795 4.432,796 4.458,797 4.518,798 4.656,799 4.652,800 1,801 35,802 10.523,803 4.458,804 7.923,805 20.329,806 17.065,807 2.423,808 67.833,811 1,812 353.133,813 105.772,816 195.878,818 32.22,819 73.552,820 549.011,823 23.71,824 175.431,825 68.738,826 1.551,828 385.353,830 353.133,831 73.552,832 195.878,833 32.22,835 282.506,836 138.455,837 128.05,839 23.71,840 49.842,842 32.22,843 353.133,844 195.878,845 105.772,848 353.133,849 58.391,850 47.381,852 195.878,853 353.133,854 195.878,855 105.772,857 0.561,858 0.302,859 0.154,860 0.081,861 13,862 7,863 0.206,864 13,866 1,867 4.113,868 208.5,870 11,871 130.606,872 1,874 23.371,875 12.61,876 8.561,878 195.878,879 9.996,884 1.138,886 170.733,887 654.783,888 33,890 10.535,893 -0.751,895 61.734,896 70.025,897 0.234,898 0.505,899 0.693,900 0.84,901 0.897,902 0.908,903 4.741,904 1.488,905 5.624,906 3.447,907 4.317,908 4.564,909 3.295,910 6.333,911 4.244,912 5.836,913 1.124,914 7.122,915 3.142,916 3.761,917 4.034,918 2.243,919 7.096,920 3.621,921 7.059,922 1,923 8.726,924 2.458,925 5.802,926 6.337,927 5.242,928 10.177,929 5.667,930 8.308,931 0.815,932 10.397,933 2.136,934 6.089,935 6.555,936 4.112,937 11.898,938 5.895,939 9.59,940 0.503,941 12.116,942 1.841,943 7.589,944 8.412,945 7.313,946 14.503,947 7.403,948 10.896,949 0.22,950 13.871,951 1.135,952 8.306,953 8.974,954 5.889,955 16.629,956 8.08,957 12.22,958 -0.231,959 15.654,960 0.481,961 9.58,962 10.646,963 9.427,964 19.08,965 9.356,966 3.148,967 -0.553,968 17.46,969 -0.533,970 10.517,971 11.39,972 7.625,973 21.362,974 10.268,975 2.558,976 10.723,977 19.284,978 -1.29,979 11.7,980 12.96,981 11.56,982 23.761,983 11.447,984 2.299,985 7.027,986 21.123,987 3.445,988 12.746,989 13.819,990 9.342,991 26.101,992 12.475,993 2.236,994 6.281,995 22.975,996 3.148,997 13.896,998 15.318,999 13.706,1000 28.483,1001 13.618,1002 2.036,1003 5.885,1004 24.836,1005 2.71,1006 14.993,1007 16.259,1008 11.051,1009 30.843,1010 14.699,1011 1.774,1012 5.184,1013 26.705,1014 2.369,1015 16.135,1016 17.704,1017 15.858,1018 33.219,1019 15.829,1020 1.591,1021 4.75,1022 28.581,1023 2.08,1024 17.256,1025 18.706,1026 12.755,1027 35.586,1028 16.936,1029 10540,1030 17444,1031 18.781,1032 38.864,1033 41.824,1034 44.806,1035 42.69,1036 41.68,1037 41.585,1038 46.844,1039 10.582,1040 108.978,1041 39.918,1042 5.127,1043 6.416,1044 6.506,1045 5.22,1046 5.148,1047 6.445,1048 5.9,1049 17.488,1050 5.088,1051 15.881,1052 1.442,1053 1.545,1054 1.472,1055 1.437,1056 1.434,1057 1.615,1058 0.365,1059 3.758,1060 1.376,1061 3.979,1062 4.018,1063 4.018,1064 3.892,1065 7.474,1066 3.872,1067 3.876,1068 3.902,1069 3.849,1070 3.833,1071 6.465,1072 3.812,1073 3.747,1074 3.8,1075 3.612,1076 3.612,1077 6.448,1078 3.599,1079 3.623,1080 3.669,1081 3.563,1082 3.492,1083 6.433,1084 3.47,1085 3.499,1086 3.544,1087 3.372,1088 3.318,1089 6.351,1090 3.315,1091 3.198,1092 3.25,1093 3.246,1094 3.097,1095 4.743,1096 3.027,1097 3.184,1098 3.241,1099 3.026,1100 2.963,1101 4.207,1102 2.968,1103 2.954,1104 2.993,1105 2.876,1106 2.767,1107 4.042,1108 2.741,1109 0.143,1110 0.152,1111 0.23,1112 0.142,1113 0.109,1114 4.148,1115 0.119,1116 4.416,1117 0.102,1118 6.682,1119 0.37,1120 4.13,1121 0.106,1122 3.148,1123 3.445,1124 2.95,1125 10.723,1126 3.088,1127 1.883,1128 1.86,1129 2.055,1130 1.982,1131 1.467,1132 2.01,1133 1.834,1134 1.786,1135 1.988,1136 1.945,1137 1.341,1138 1.974,1139 1.732,1140 1.681,1141 1.958,1142 1.896,1143 1.204,1144 1.918,1145 1.611,1146 1.564,1147 1.842,1148 1.803,1149 1.117,1150 1.815,1151 1.505,1152 1.461,1153 1.737,1154 1.711,1155 1.039,1156 1.722,1157 1.38,1158 1.333,1159 1.626,1160 1.603,1161 0.949,1162 1.61,1163 1.111,1164 1.054,1165 1.41,1166 1.362,1167 0.703,1168 1.381,1169 0.977,1170 0.926,1171 1.276,1172 1.24,1173 0.541,1174 1.263,1175 4.078,1177 5.333,1178 2.398,1179 6.753,1180 4.844,1181 8.255,1182 6.986,1183 9.806,1189 39.638,1190 6.94,1193 1.633,1194 -1.295,1199 35.717,1200 86.469,1201 186.335,1202 255.776,1203 310.141,1204 331.16,1205 335.16,1206 106.051,1207 6.757,1208 97.99,1209 123.29,1210 11,1211 12.087,1212 3,1213 2.322,1214 62.154,1215 128,1216 141,1217 0.223,1218 226.418,1219 405.44,1220 544.219,1221 8023,1223 20.355,1224 0.727,1225 0.617,1226 20.709,1227 17.266,1228 13.469,1229 0.464,1230 0.393,1231 10.413,1232 12.639,1233 10.142,1234 8.363,1235 13.923,1236 11.394,1237 11.667,1238 0.315,1239 0.243,1240 12.245,1241 8.993,1242 8.61,1243 0.2,1244 0.16,1245 9.347,1246 6.875,1247 6.681,1248 0.131,1249 0.099,1250 7.302,1251 5.069,1252 4.898,1253 0.089,1254 0.064,1255 5.47,1256 3.51,1257 0.363,1258 88.243,1259 0.231,1260 27.724,1261 0.577,1262 132,1263 361.195,1264 165.022,1265 360.911,1266 459.15,1267 334,1268 146,1269 283.542,1270 173.234,1271 296.53,1272 425.36,1273 280,1274 8.523}
{0 CHEMBL173499,1 1.5,2 13.724,3 3.867,4 14.956,5 112.527,6 6.913,7 0.2,8 4.183,9 4.295,10 3.676,11 3.704,12 5.242,13 3.637,14 4.767,15 4.935,16 4.02,17 4.131,18 5.834,19 4.013,20 5.158,21 5.398,22 4.073,23 4.276,24 6.106,25 4.115,26 5.187,27 5.448,28 3.982,29 4.242,30 6.128,31 4.059,32 5.167,33 5.438,34 3.851,35 4.189,36 6.041,37 4.016,38 5.15,39 5.41,40 3.923,41 4.168,42 6.138,43 4.012,44 5.139,45 5.397,46 3.948,47 4.147,48 6.215,49 3.969,50 5.042,51 5.315,52 3.755,53 4.057,54 5.947,55 3.869,56 0.097,57 0.87,58 15.309,59 7.108,60 27.215,61 8.68,62 0.243,63 1.448,64 29.688,65 12.334,66 66.417,67 15.423,68 0.599,69 1.832,70 47.262,71 15.989,72 117.132,73 20.547,74 0.712,75 1.822,76 49.423,77 16.171,78 128.555,79 21.19,80 0.607,81 1.671,82 45.553,83 15.054,84 118.035,85 20.448,86 0.709,87 1.656,88 44.17,89 14.556,90 138.5,91 19.583,92 0.925,93 1.628,94 46.915,95 14.637,96 165.243,97 19.194,98 0.671,99 1.524,100 44.817,101 13.736,102 115.159,103 17.805,104 44,105 39,106 0.247,107 0.515,108 0.708,109 0.853,110 0.902,111 0.912,112 3.407,113 1.149,114 -4.43,115 -4.36,116 -4.11,118 35.5,120 9,121 2,124 1,125 3,133 4,135 2,145 1,150 1,153 1,154 11,155 1,158 1,160 1,162 6,164 15,165 1,167 1,170 7,171 12,172 1,175 1,178 1,179 6,180 10,181 1,184 1,189 7,192 9,193 1,196 1,199 1,200 6,202 9,203 1,206 1,209 1,210 6,211 10,212 1,215 1,219 5,222 8,223 1,226 1,230 5,231 1,233 8,234 2,236 1707,237 19.035,238 19.035,239 19.035,240 19.035,241 19.035,242 18.052,243 13.003,244 11.652,245 19.398,246 14.804,247 14.804,248 14.804,249 14.804,250 14.804,251 13.367,252 8.724,253 5.587,254 15.466,255 4.455,256 2.832,257 1.662,258 0.778,259 0.484,260 0.419,261 4.071,265 1,266 1,267 807,268 4.359,270 99.812,271 114.521,277 2.542,278 48.681,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.5,289 398,290 4.148,291 4.418,292 6.682,293 4.13,294 3.148,295 3.648,296 2.95,297 10.723,298 3.088,299 4.043,300 3.596,301 5.512,302 3.592,303 2.666,304 3.148,305 2.341,306 7.462,307 2.458,308 3.55,309 3.258,310 5.353,311 3.291,312 2.35,313 2.71,315 6.306,316 2.224,317 3.41,318 3.008,319 5.024,320 3.241,321 2.236,322 2.58,324 5.961,325 2.201,326 3.233,327 2.745,328 4.726,329 2.999,330 2.046,331 2.313,333 5.24,334 1.945,335 3.036,336 2.329,337 4.661,338 2.846,339 1.942,340 2.038,342 5.184,343 1.74,344 2.79,345 2.163,346 4.655,347 2.748,348 1.771,349 1.79,351 4.746,352 1.705,353 2.671,354 1.902,355 3.796,356 2.565,357 1.585,358 1.746,360 3.446,361 1.545,362 2.606,363 1.724,364 3.506,365 2.187,366 1.213,367 1.603,369 2.637,370 1.174,371 2.168,372 1.354,373 3.466,374 2.105,375 1.122,376 1.15,378 2.457,379 1.096,380 1.878,381 1.314,382 3.211,383 1.775,384 0.817,385 0.849,387 1.859,388 0.772,389 1.589,390 0.951,391 2.937,392 1.401,393 0.506,394 0.535,395 1.157,396 0.437,397 1.282,398 0.615,399 2.615,400 1.168,401 0.221,402 0.227,403 0.483,404 0.208,405 0.936,406 0.508,407 2.363,408 0.735,409 -0.23,410 -0.235,411 -0.534,412 -0.219,413 0.824,414 0.308,415 2.263,416 0.498,417 -0.399,418 -0.5,419 -0.882,420 -0.344,421 13.786,422 0.475,423 0.723,424 0.025,425 24.5,426 0.845,427 8,428 0.276,429 16.5,430 0.569,431 35.802,432 1.235,433 35.414,434 0.571,435 16.251,436 0.56,437 3.876,438 0.134,439 9.987,440 0.344,441 0.142,443 0.29,445 1,447 0.815,448 1.053,449 0.888,450 1.063,451 0.8,452 1.085,453 0.606,454 1.222,455 1.041,456 1.308,457 0.565,458 1.27,459 0.926,460 1.007,461 1.049,462 1.078,463 0.909,464 1.066,465 0.765,466 0.953,467 1,468 1.056,469 0.737,470 1.032,471 0.813,472 0.832,473 0.898,474 0.925,475 0.778,476 0.958,477 0.908,478 0.865,479 0.859,480 0.893,481 0.884,482 0.965,483 0.923,484 0.851,485 0.985,486 0.941,487 0.886,488 0.978,489 0.965,490 0.867,491 1.139,492 1.011,493 0.941,494 0.928,495 6,496 0.234,497 2.889,498 2.139,499 1.152,500 0.781,501 0.576,502 0.309,503 0.262,504 0.274,505 11421,506 35125,507 1.938,508 53.2,509 12,510 9,513 4,514 2,515 4,516 2,517 1.717,518 1.794,519 3.696,520 1.629,522 1,525 92.978,526 1.5,527 3.122,528 4.293,529 5.176,530 5.47,531 5.535,532 3.224,533 4.651,534 4.822,535 3.947,536 1602.33,537 8.388,538 23822.6,540 1,542 369.16,543 1.475,544 4.773,545 0.2,546 0.008,547 0.074,548 0.058,549 0.035,550 0.024,551 0.017,552 0.01,553 0.01,554 0.009,555 0.445,557 0.88,558 1.81,559 152.337,560 -0.094,561 0.108,562 0.011,563 0.142,564 -0.082,565 0.079,566 0.047,567 -0.14,568 -0.067,569 -0.129,570 0.084,571 -0.148,572 -0.073,573 -0.048,574 -0.037,575 -0.039,576 -0.07,577 -0.053,578 0.013,579 -0.069,580 -0.004,581 -0.05,582 0.013,583 -0.034,584 -0.045,585 -0.012,586 -0.005,587 -0.004,588 -0.038,589 0.018,590 -0.02,591 -0.009,592 0.018,593 0.007,594 -0.026,596 0.027,597 0.012,598 0.018,599 0.024,600 0.026,601 -0.013,602 -0.081,603 0.055,604 -0.042,605 0.025,606 -0.086,607 0.055,608 2.437,609 5.219,610 0.379,611 37.493,612 1.004,613 1.135,614 3.203,615 10.256,616 0.626,617 3.434,618 3.689,619 3.829,620 4.007,621 4.078,622 4.007,623 3.989,624 3.989,625 4.06,626 4.078,627 8.19,628 0.582,629 428.62,630 3.434,631 4.934,632 5.727,633 6.564,634 7.38,635 8.224,636 9.054,637 9.904,638 10.743,639 11.598,651 4,656 2,658 6,669 1,670 62,671 7,672 1,673 30,675 63,676 22,677 6,678 2,679 4,681 2,682 2,688 3,689 2,691 12,693 7,694 15,695 2,696 1,698 1,701 1,704 1,705 1,707 33,708 6,709 4,710 7,711 1,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,749 1,750 1,754 1,756 29,759 4,760 10,763 1,764 5,772 1,773 8.1,774 3,775 1,776 1,779 16.167,780 10.026,781 6.583,782 3.966,785 0.965,786 1.141,787 0.832,788 10.607,789 7.817,790 3.555,791 3.942,792 4.208,793 4.55,794 4.839,795 4.669,796 4.563,797 4.595,798 4.768,799 4.739,800 1,801 37,802 10.922,803 4.697,804 8.103,805 20.75,806 17.435,807 2.603,808 75.5,811 1,812 341.362,813 105.417,816 195.878,817 14.96,818 32.22,819 73.197,820 537.24,821 14.96,823 23.71,824 165.955,825 68.738,826 10.672,827 14.96,828 373.581,830 341.362,831 73.197,832 210.838,833 32.22,835 285.695,836 138.455,837 128.05,839 23.71,840 49.487,842 32.22,843 356.322,844 195.878,845 105.417,848 341.362,849 67.512,850 37.905,852 210.838,853 341.362,854 210.838,855 105.417,857 0.567,858 0.303,859 0.155,860 0.081,861 14,862 8,863 0.206,864 13,866 1,867 4.163,868 220.055,870 11,871 138.881,872 1,874 24.297,875 12.66,876 8.733,878 210.838,879 6.289,884 0.486,886 170.733,887 657.617,888 34,890 10.533,893 -0.77,895 62.247,896 70.365,897 0.252,898 0.524,899 0.721,900 0.869,901 0.919,902 0.93,903 4.783,904 1.585,905 5.687,906 4.746,907 4.369,908 4.625,909 3.295,910 6.409,911 4.284,912 5.898,913 1.213,914 7.195,915 3.446,916 3.892,917 4.248,918 2.243,919 7.182,920 3.727,921 7.138,922 1.122,923 8.805,924 2.637,925 5.872,926 6.457,927 5.242,928 10.249,929 5.718,930 8.402,931 0.817,932 10.477,933 2.457,934 6.196,935 6.827,936 4.112,937 11.946,938 5.976,939 9.698,940 0.506,941 12.193,942 1.859,943 7.664,944 8.601,945 7.313,946 14.549,947 7.456,948 11.015,949 0.221,950 13.942,951 1.157,952 8.395,953 9.324,954 5.889,955 16.657,956 8.142,957 12.349,958 -0.23,959 15.718,960 0.483,961 9.652,962 10.919,963 9.427,964 19.105,965 9.403,966 3.148,967 -0.399,968 17.517,969 -0.534,970 10.591,971 11.835,972 7.625,973 21.378,974 10.316,975 2.666,976 10.723,977 19.334,978 -0.882,979 11.764,980 13.334,981 11.56,982 23.775,983 11.486,984 2.35,985 7.462,986 21.167,987 3.648,988 12.807,989 14.369,990 9.342,991 26.11,992 12.51,993 2.236,994 6.306,995 23.012,996 3.148,997 13.95,998 15.807,999 13.706,1000 28.49,1001 13.647,1002 2.046,1003 5.961,1004 24.868,1005 2.71,1006 15.043,1007 16.92,1008 11.051,1009 30.848,1010 14.725,1011 1.942,1012 5.24,1013 26.733,1014 2.58,1015 16.178,1016 18.315,1017 15.858,1018 33.222,1019 15.851,1020 1.771,1021 5.184,1022 28.604,1023 2.313,1024 17.295,1025 19.483,1026 12.755,1027 35.589,1028 16.954,1029 11560,1030 20381,1031 19.186,1032 38.801,1033 43.341,1034 46.771,1035 44.686,1036 43.397,1037 43.243,1038 48.678,1039 10.582,1040 115.322,1041 41.187,1042 5.127,1043 6.418,1044 6.506,1045 5.226,1046 5.148,1047 6.648,1048 5.9,1049 17.488,1050 5.088,1051 17.922,1052 1.445,1053 1.559,1054 1.49,1055 1.447,1056 1.441,1057 1.623,1058 0.353,1059 3.844,1060 1.373,1061 3.98,1062 4.019,1063 4.029,1064 3.892,1065 8.201,1066 3.873,1067 3.887,1068 3.911,1069 3.85,1070 3.832,1071 7.474,1072 3.816,1073 3.747,1074 3.8,1075 3.615,1076 3.612,1077 6.465,1078 3.599,1079 3.624,1080 3.669,1081 3.584,1082 3.492,1083 6.448,1084 3.471,1085 3.5,1086 3.544,1087 3.373,1088 3.318,1089 6.433,1090 3.315,1091 3.198,1092 3.251,1093 3.26,1094 3.096,1095 6.351,1096 3.028,1097 3.185,1098 3.242,1099 3.026,1100 2.963,1101 4.628,1102 2.968,1103 2.956,1104 2.994,1105 2.886,1106 2.767,1107 4.206,1108 2.749,1109 0.138,1110 0.147,1111 0.223,1112 0.138,1113 0.105,1114 4.148,1115 0.122,1116 4.418,1117 0.098,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.648,1124 2.95,1125 10.723,1126 3.088,1127 1.875,1128 1.855,1129 2.055,1130 1.982,1131 1.467,1132 2.009,1133 1.833,1134 1.786,1135 1.969,1136 1.947,1137 1.341,1138 1.965,1139 1.732,1140 1.681,1141 1.945,1142 1.896,1143 1.204,1144 1.916,1145 1.611,1146 1.564,1147 1.842,1148 1.803,1149 1.114,1150 1.815,1151 1.505,1152 1.46,1153 1.737,1154 1.711,1155 1.03,1156 1.722,1157 1.379,1158 1.333,1159 1.626,1160 1.603,1161 0.947,1162 1.61,1163 1.11,1164 1.053,1165 1.41,1166 1.362,1167 0.701,1168 1.381,1169 0.975,1170 0.925,1171 1.276,1172 1.24,1173 0.54,1174 1.263,1175 4.111,1177 5.38,1178 2.398,1179 6.81,1180 4.844,1181 8.322,1182 6.986,1183 9.883,1187 13.219,1189 39.588,1190 6.379,1193 1.407,1194 -1.631,1199 36.1,1200 92.978,1201 193.554,1202 266.141,1203 320.896,1204 339.16,1205 343.16,1206 124.293,1207 6.852,1208 97.99,1209 123.29,1210 11,1211 12.157,1212 3,1213 2.322,1214 65.794,1215 137,1216 150,1217 0.222,1218 227.616,1219 411.51,1220 547.143,1221 9104,1222 1.6,1223 21.225,1224 0.732,1225 0.606,1226 20.709,1227 17.567,1228 13.863,1229 0.462,1230 0.383,1231 10.488,1232 12.914,1233 10.236,1234 8.412,1235 13.923,1236 11.494,1237 12.301,1238 0.315,1239 0.234,1240 12.245,1241 9.138,1242 8.93,1243 0.198,1244 0.154,1245 9.347,1246 6.91,1247 7.027,1248 0.13,1249 0.095,1250 7.302,1251 5.13,1252 5.067,1253 0.087,1254 0.061,1255 5.47,1256 3.528,1257 0.362,1258 91.473,1259 0.228,1260 28.517,1261 0.572,1262 138,1263 455.306,1264 174.853,1265 423.068,1266 530.52,1267 390,1268 153,1269 326.875,1270 183.144,1271 333.178,1272 478.93,1273 314,1274 7.538}
{0 CHEMBL173680,1 1.5,2 13.724,3 4.326,4 18.716,5 117.115,6 7.179,7 0.2,8 4.18,9 4.289,10 3.71,11 3.727,12 5.208,13 3.649,14 4.764,15 4.929,16 4.068,17 4.16,18 5.787,19 4.029,20 5.154,21 5.39,22 4.122,23 4.31,24 6.055,25 4.133,26 5.184,27 5.443,28 4.074,29 4.281,30 6.086,31 4.078,32 5.165,33 5.434,34 3.882,35 4.208,36 6.017,37 4.026,38 5.147,39 5.404,40 3.954,41 4.193,42 6.11,43 4.024,44 5.135,45 5.39,46 4.01,47 4.173,48 6.146,49 3.986,50 5.037,51 5.306,52 3.794,53 4.09,54 5.9,55 3.886,56 0.081,57 0.792,58 15.153,59 7.016,60 22.574,61 8.708,62 0.215,63 1.334,64 30.054,65 12.449,66 57.865,67 15.664,68 0.52,69 1.716,70 49.891,71 16.667,72 95.933,73 21.234,74 0.633,75 1.721,76 54.031,77 17.084,78 110.476,79 21.901,80 0.535,81 1.657,82 47.498,83 15.715,84 99.463,85 20.911,86 0.628,87 1.609,88 46.547,89 15.24,90 116.888,91 20.156,92 0.8,93 1.584,94 49.607,95 15.327,96 131.945,97 19.683,98 0.585,99 1.448,100 48.295,101 14.547,102 92.848,103 18.547,104 44,105 39,106 0.247,107 0.515,108 0.708,109 0.853,110 0.902,111 0.912,112 3.407,113 1.187,114 -4.54,115 -4.46,116 -4.2,118 35.5,120 9,121 2,124 1,125 3,133 4,135 2,145 1,150 1,153 1,154 11,155 1,158 1,160 1,162 6,164 17,165 1,167 1,170 7,171 13,172 1,175 1,178 1,179 6,180 12,181 1,184 1,189 7,192 9,193 1,196 1,199 1,200 6,202 9,203 1,206 1,209 1,210 7,211 11,212 1,215 1,219 5,222 9,223 1,226 1,230 5,231 1,233 9,234 2,236 1707,237 19.035,238 19.035,239 19.035,240 19.035,241 19.035,242 18.052,243 12.976,244 11.652,245 19.472,246 14.804,247 14.804,248 14.804,249 14.804,250 14.804,251 13.367,252 8.695,253 5.587,254 15.613,255 4.455,256 2.832,257 1.662,258 0.778,259 0.484,260 0.419,261 4.071,262 1,265 1,266 1,267 807,268 4.359,270 99.812,271 114.521,277 2.542,278 42.251,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 63.333,289 398,290 4.148,291 4.418,292 6.682,293 4.13,294 3.148,295 3.648,296 2.95,297 10.723,298 3.088,299 4.043,300 3.596,301 5.512,302 3.575,303 2.666,304 3.148,305 2.341,306 7.462,307 2.393,308 3.55,309 3.258,310 5.353,311 3.287,312 2.35,313 2.71,315 6.306,316 2.224,317 3.41,318 3.017,319 5.024,320 3.241,321 2.236,322 2.58,324 5.961,325 2.195,326 3.233,327 2.761,328 4.726,329 2.998,330 2.046,331 2.313,333 5.24,334 1.944,335 3.036,336 2.329,337 4.661,338 2.81,339 1.942,340 2.038,342 5.184,343 1.728,344 2.79,345 2.164,346 4.655,347 2.745,348 1.771,349 1.79,351 4.746,352 1.597,353 2.671,354 1.902,355 3.796,356 2.565,357 1.585,358 1.746,360 3.446,361 1.541,362 2.606,363 1.724,364 3.506,365 2.179,366 1.213,367 1.603,369 2.637,370 1.145,371 2.168,372 1.357,373 3.466,374 2.105,375 1.122,376 1.15,378 2.457,379 1.096,380 1.878,381 1.315,382 3.211,383 1.775,384 0.817,385 0.849,387 1.859,388 0.772,389 1.589,390 0.951,391 2.937,392 1.401,393 0.506,394 0.535,395 1.157,396 0.437,397 1.282,398 0.616,399 2.615,400 1.168,401 0.221,402 0.227,403 0.483,404 0.208,405 0.936,406 0.509,407 2.363,408 0.735,409 -0.23,410 -0.235,411 -0.534,412 -0.219,413 0.824,414 0.308,415 2.263,416 0.432,417 -0.399,418 -0.5,419 -0.882,420 -0.256,421 14.214,422 0.49,423 0.723,424 0.025,425 24.5,426 0.845,427 8,428 0.276,429 16.5,430 0.569,431 36.75,432 1.267,433 34.986,434 0.564,435 15.302,436 0.528,437 3.745,438 0.129,439 10.118,440 0.349,441 0.168,443 0.281,447 0.877,448 1.127,449 0.791,450 0.99,451 0.883,452 1.043,453 0.62,454 1.323,455 0.922,456 1.222,457 0.585,458 1.222,459 0.956,460 1.064,461 0.988,462 1.051,463 0.951,464 1.051,465 0.814,466 1.016,467 0.871,468 0.981,469 0.795,470 1.002,471 0.895,472 0.95,473 0.797,474 0.896,475 0.885,476 0.937,477 0.966,478 0.959,479 0.81,480 0.885,481 0.959,482 0.956,483 1.019,484 0.939,485 0.89,486 0.928,487 1.016,488 0.96,489 0.979,490 0.911,491 1.098,492 1.023,493 0.954,494 0.935,495 6,496 0.234,497 2.889,498 2.139,499 1.152,500 0.781,501 0.576,502 0.309,503 0.262,504 0.274,505 11421,506 35125,507 1.938,508 53.2,509 12,510 9,513 4,514 2,515 4,516 2,517 1.717,518 1.794,519 3.696,520 1.629,522 1,525 92.978,526 1.5,527 3.122,528 4.293,529 5.176,530 5.47,531 5.535,532 3.224,533 4.651,534 4.822,535 3.947,536 1602.33,537 8.388,538 23822.6,540 1,542 369.16,543 1.475,544 4.773,545 0.2,546 0.008,547 0.074,548 0.058,549 0.035,550 0.024,551 0.017,552 0.01,553 0.01,554 0.009,555 0.445,557 0.88,558 1.81,559 152.337,560 -0.105,561 0.142,562 0.006,563 0.138,564 -0.099,565 0.077,566 0.055,567 -0.141,568 -0.045,569 -0.101,570 0.092,571 -0.132,572 -0.077,573 -0.044,574 -0.035,575 -0.03,576 -0.08,577 -0.049,578 0.009,579 -0.03,580 0.039,581 0.008,582 0.011,583 -0.018,584 -0.052,585 0.002,586 0.001,587 0.009,588 -0.048,589 0.023,590 -0.015,591 -0.011,592 0.008,593 0.006,594 -0.017,595 -0.002,596 0.006,597 0.018,598 0.032,599 0.027,600 -0.007,601 -0.005,602 -0.081,603 0.056,604 -0.053,605 0.009,606 -0.086,607 0.045,608 2.425,609 4.356,610 0.379,611 37.493,612 1.001,613 1.129,614 3.31,615 10.953,616 0.641,617 3.434,618 3.689,619 3.829,620 4.007,621 4.078,622 4.007,623 3.989,624 3.989,625 4.06,626 4.078,627 8.19,628 0.589,629 445.07,630 3.434,631 4.934,632 5.727,633 6.564,634 7.38,635 8.224,636 9.054,637 9.904,638 10.743,639 11.598,651 4,656 2,658 6,669 1,670 62,671 7,672 1,673 30,675 63,676 22,677 6,678 2,679 4,681 2,682 2,683 1,688 3,689 2,691 12,693 7,694 15,695 2,696 1,698 1,701 1,704 1,707 33,708 5,709 4,710 7,711 2,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,749 1,750 1,753 1,756 29,759 4,760 10,763 1,764 5,772 1,773 8.1,774 3,775 1,776 1,779 16.167,780 10.026,781 6.583,782 3.966,785 0.965,786 1.141,787 0.835,788 10.99,789 7.817,790 3.555,791 3.942,792 4.208,793 4.55,794 4.839,795 4.669,796 4.563,797 4.595,798 4.768,799 4.739,800 1,801 37,802 10.883,803 4.629,804 7.969,805 20.89,806 17.543,807 2.469,808 71.611,811 1,812 341.362,813 99.796,815 39.149,816 195.878,818 32.22,819 67.577,820 576.389,823 23.71,824 165.955,825 68.738,826 5.051,828 373.581,829 39.149,830 341.362,831 67.577,832 195.878,833 71.368,835 270.735,836 138.455,837 128.05,839 23.71,840 43.866,841 39.149,842 32.22,843 341.362,844 195.878,845 138.945,848 341.362,849 61.891,850 37.905,852 235.027,853 341.362,854 195.878,855 138.945,857 0.567,858 0.303,859 0.155,860 0.081,861 14,862 8,863 0.206,864 13,866 1,867 4.163,868 220.055,870 11,871 140.881,872 1,874 24.644,875 12.933,876 8.952,878 195.878,879 7.552,884 1.701,886 170.733,887 676.185,888 34,890 10.544,893 -0.758,895 62.058,896 69.969,897 0.252,898 0.524,899 0.721,900 0.869,901 0.919,902 0.93,903 4.783,904 1.585,905 5.687,906 4.746,907 4.369,908 4.625,909 3.295,910 6.409,911 4.267,912 5.898,913 1.213,914 7.195,915 3.446,916 3.892,917 4.248,918 2.243,919 7.182,920 3.683,921 7.138,922 1.122,923 8.805,924 2.637,925 5.872,926 6.457,927 5.242,928 10.249,929 5.693,930 8.402,931 0.817,932 10.477,933 2.457,934 6.196,935 6.827,936 4.112,937 11.946,938 5.936,939 9.698,940 0.506,941 12.193,942 1.859,943 7.664,944 8.601,945 7.313,946 14.549,947 7.428,948 11.015,949 0.221,950 13.942,951 1.157,952 8.395,953 9.324,954 5.889,955 16.657,956 8.109,957 12.349,958 -0.23,959 15.718,960 0.483,961 9.652,962 10.919,963 9.427,964 19.105,965 9.377,966 3.148,967 -0.399,968 17.517,969 -0.534,970 10.591,971 11.835,972 7.625,973 21.378,974 10.289,975 2.666,976 10.723,977 19.334,978 -0.882,979 11.764,980 13.334,981 11.56,982 23.775,983 11.464,984 2.35,985 7.462,986 21.167,987 3.648,988 12.807,989 14.369,990 9.342,991 26.11,992 12.49,993 2.236,994 6.306,995 23.012,996 3.148,997 13.95,998 15.807,999 13.706,1000 28.49,1001 13.63,1002 2.046,1003 5.961,1004 24.868,1005 2.71,1006 15.043,1007 16.92,1008 11.051,1009 30.848,1010 14.71,1011 1.942,1012 5.24,1013 26.733,1014 2.58,1015 16.178,1016 18.315,1017 15.858,1018 33.222,1019 15.838,1020 1.771,1021 5.184,1022 28.604,1023 2.313,1024 17.295,1025 19.483,1026 12.755,1027 35.589,1028 16.943,1029 11560,1030 20381,1031 19.186,1032 39.722,1033 43.341,1034 46.786,1035 44.686,1036 43.517,1037 43.243,1038 48.678,1039 10.582,1040 115.322,1041 40.734,1042 5.127,1043 6.418,1044 6.506,1045 5.229,1046 5.148,1047 6.648,1048 5.9,1049 17.488,1050 5.088,1051 17.922,1052 1.445,1053 1.56,1054 1.49,1055 1.451,1056 1.441,1057 1.623,1058 0.353,1059 3.844,1060 1.358,1061 3.98,1062 4.018,1063 4.087,1064 3.9,1065 7.474,1066 3.876,1067 3.883,1068 3.901,1069 3.858,1070 3.84,1071 6.465,1072 3.822,1073 3.747,1074 3.8,1075 3.723,1076 3.612,1077 6.448,1078 3.599,1079 3.624,1080 3.668,1081 3.608,1082 3.495,1083 6.433,1084 3.472,1085 3.499,1086 3.544,1087 3.388,1088 3.318,1089 6.351,1090 3.315,1091 3.198,1092 3.25,1093 3.339,1094 3.104,1095 4.934,1096 3.032,1097 3.185,1098 3.241,1099 3.124,1100 2.963,1101 4.325,1102 2.968,1103 2.955,1104 2.993,1105 3.026,1106 2.807,1107 4.206,1108 2.78,1109 0.138,1110 0.147,1111 0.223,1112 0.138,1113 0.105,1114 4.148,1115 0.122,1116 4.418,1117 0.098,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.648,1124 2.95,1125 10.723,1126 3.088,1127 1.878,1128 1.861,1129 2.055,1130 1.982,1131 1.467,1132 2.009,1133 1.834,1134 1.786,1135 1.967,1136 1.93,1137 1.341,1138 1.959,1139 1.732,1140 1.681,1141 1.936,1142 1.893,1143 1.205,1144 1.914,1145 1.611,1146 1.564,1147 1.842,1148 1.803,1149 1.117,1150 1.814,1151 1.505,1152 1.461,1153 1.737,1154 1.71,1155 1.037,1156 1.721,1157 1.38,1158 1.333,1159 1.626,1160 1.603,1161 0.949,1162 1.61,1163 1.111,1164 1.054,1165 1.41,1166 1.362,1167 0.702,1168 1.381,1169 0.976,1170 0.926,1171 1.276,1172 1.239,1173 0.54,1174 1.263,1175 4.111,1177 5.38,1178 2.398,1179 6.81,1180 4.844,1181 8.322,1182 6.986,1183 9.883,1186 5.983,1189 39.71,1190 6.739,1193 1.563,1194 -1.422,1199 36.544,1200 92.978,1201 193.554,1202 266.141,1203 320.896,1204 339.16,1205 343.16,1206 115.088,1207 6.852,1208 97.99,1209 123.29,1210 11,1211 12.157,1212 3,1213 2.322,1214 65.794,1215 137,1216 150,1217 0.222,1218 234.751,1219 420.65,1220 564.551,1221 9104,1222 1.6,1223 21.225,1224 0.732,1225 0.632,1226 22.079,1227 18.323,1228 13.863,1229 0.462,1230 0.396,1231 10.543,1232 12.724,1233 10.236,1234 8.412,1235 14.606,1236 11.872,1237 12.301,1238 0.315,1239 0.245,1240 13.287,1241 9.574,1242 8.93,1243 0.198,1244 0.159,1245 9.911,1246 7.145,1247 7.027,1248 0.13,1249 0.1,1250 8.015,1251 5.399,1252 5.067,1253 0.087,1254 0.064,1255 5.869,1256 3.695,1257 0.362,1258 93.782,1259 0.228,1260 28.517,1261 0.572,1262 138,1263 395.398,1264 186.541,1265 423.068,1266 530.52,1267 390,1268 153,1269 310.405,1270 189.992,1271 333.178,1272 478.93,1273 314,1274 7.77}
{0 CHEMBL173811,1 1.584,2 12.926,3 2.659,4 7.07,5 108.937,6 7.201,7 0.179,8 4.122,9 4.231,10 3.699,11 3.666,12 5.149,13 3.575,14 4.708,15 4.875,16 4.097,17 4.093,18 5.723,19 3.946,20 5.069,21 5.314,22 3.979,23 4.182,24 5.947,25 4.004,26 5.117,27 5.379,28 3.847,29 4.18,30 6.011,31 3.981,32 5.111,33 5.378,34 3.88,35 4.147,36 5.985,37 3.963,38 5.087,39 5.35,40 3.901,41 4.123,42 6.043,43 3.946,44 5.052,45 5.306,46 3.863,47 4.09,48 6.03,49 3.887,50 4.95,51 5.223,52 3.762,53 3.996,54 5.802,55 3.784,56 0.089,57 0.791,58 15.047,59 6.737,60 22.24,61 8.131,62 0.269,63 1.336,64 33.615,65 11.901,66 57,67 14.493,68 0.515,69 1.579,70 43.567,71 14.699,72 90.189,73 18.88,74 0.644,75 1.626,76 47.879,77 15.424,78 106.396,79 19.91,80 0.614,81 1.582,82 45.668,83 14.678,84 98.571,85 19.373,86 0.626,87 1.546,88 45.053,89 14.373,90 108.803,91 18.675,92 0.745,93 1.487,94 45.837,95 14.128,96 118.462,97 17.802,98 0.549,99 1.365,100 44.106,101 13.292,102 83.355,103 16.598,104 33,105 36,106 0.265,107 0.515,108 0.707,109 0.842,110 0.895,111 0.907,112 3.339,113 1.245,114 -2.71,115 -2.72,116 -2.64,118 32.8,120 9,121 2,124 1,125 3,136 1,141 1,145 1,148 1,150 1,153 1,154 9,155 1,158 3,160 1,162 6,164 11,165 1,167 1,170 7,171 10,172 1,175 1,178 1,179 6,180 9,181 1,184 2,187 1,189 6,192 8,193 1,196 2,199 1,200 5,202 7,203 1,206 2,209 1,210 5,211 7,212 1,215 2,219 5,222 5,223 1,226 3,228 1,230 4,231 1,233 4,234 2,236 1433,237 17.88,238 17.88,239 17.88,240 17.88,241 17.88,242 17.052,243 11.375,244 11.033,245 18.495,246 13.821,247 13.821,248 13.821,249 13.821,250 13.821,251 12.623,252 7.588,253 5.288,254 14.9,255 4.274,256 2.786,257 1.638,258 0.832,259 0.517,260 0.448,261 4.001,265 1,266 1,267 710,268 4.301,270 183.821,277 2.373,278 40.357,280 1,281 0.83,282 0.83,283 1,284 1,285 0.67,286 0.5,287 0.83,288 59.5,289 349,290 4.148,291 4.417,292 6.682,293 4.13,294 3.148,295 3.48,296 2.95,297 10.723,298 3.088,299 3.925,300 3.596,301 5.379,302 3.397,303 2.574,304 3.148,305 2.341,306 7.055,307 2.225,308 3.55,309 3.258,310 5.348,311 3.242,312 2.304,313 2.71,315 6.282,316 2.216,317 3.347,318 2.932,319 4.99,320 3.214,321 2.236,322 2.358,324 5.888,325 1.99,326 3.041,327 2.334,328 4.662,329 2.992,330 2.036,331 2.042,333 5.184,334 1.932,335 2.793,336 2.199,337 4.657,338 2.752,339 1.774,340 1.794,342 4.751,343 1.726,344 2.658,345 1.904,346 3.797,347 2.568,348 1.588,349 1.699,351 3.447,352 1.547,353 2.594,354 1.726,355 3.552,356 2.171,357 1.298,358 1.595,360 2.804,361 1.122,362 2.163,363 1.568,364 3.416,365 2.086,366 1.114,367 1.145,369 2.422,370 1.059,371 2.118,372 1.316,373 3.14,374 1.743,375 0.78,376 0.927,378 1.762,379 0.742,380 1.843,381 0.951,382 3,383 1.417,384 0.618,385 0.812,387 1.372,388 0.486,389 1.531,390 0.618,391 2.814,392 1.344,393 0.434,394 0.465,395 0.981,396 0.378,397 1.261,398 0.614,399 2.564,400 1.102,401 0.196,402 0.204,403 0.426,404 0.178,405 0.816,406 0.309,407 2.345,408 0.719,409 -0.24,410 -0.244,411 -0.551,412 -0.227,413 0.496,414 0.138,415 2.191,416 0.341,417 -0.559,418 -0.56,419 -1.302,420 -0.489,421 13.233,422 0.49,423 0.617,424 0.023,425 21.75,426 0.806,427 6,428 0.222,429 15.75,430 0.583,431 34.583,432 1.281,433 32.967,434 0.568,435 12.038,436 0.446,437 3.035,438 0.112,439 9.934,440 0.368,441 0.126,443 0.264,447 0.924,448 1.167,449 0.859,450 0.989,451 0.897,452 1.065,453 0.635,454 1.358,455 0.959,456 1.233,457 0.598,458 1.249,459 0.956,460 0.989,461 0.841,462 0.918,463 0.963,464 1.028,465 0.853,466 0.964,467 0.961,468 0.969,469 0.81,470 1.014,471 0.889,472 0.917,473 0.789,474 0.858,475 0.89,476 0.957,477 0.925,478 0.914,479 0.831,480 0.865,481 0.887,482 0.932,483 1.109,484 0.917,485 0.979,486 0.914,487 1.076,488 1,489 0.94,490 0.901,491 1.017,492 0.958,493 0.922,494 0.899,495 5,496 0.179,497 2.667,498 1.861,499 0.935,500 0.722,501 0.523,502 0.247,503 0.247,504 0.26,505 9410,506 29292,507 1.954,508 53.4,509 12,510 5,511 1,512 1,513 4,514 2,515 4,516 2,517 1.698,518 1.82,519 3.613,520 1.734,521 1,522 1,525 91.863,526 1.584,527 3.072,528 4.22,529 5.026,530 5.341,531 5.41,532 3.084,533 4.385,534 4.717,535 3.858,536 1354.09,537 8.182,538 19006.6,540 1,541 1,542 339.763,543 1.427,544 4.677,545 0.179,546 0.007,547 0.074,548 0.058,549 0.031,550 0.024,551 0.017,552 0.01,553 0.01,554 0.009,555 0.418,556 0.17,557 0.88,558 1.859,559 138.302,560 -0.116,561 0.096,562 0.038,563 0.149,564 -0.096,565 0.08,566 0.071,567 -0.182,568 0.029,569 -0.095,570 0.088,571 -0.143,572 -0.07,573 -0.038,574 0.002,575 -0.011,576 -0.078,577 -0.043,578 -0.012,579 -0.026,580 -0.066,581 -0.042,582 0.005,583 -0.035,584 -0.02,585 -0.009,586 0.02,587 -0.003,588 -0.044,589 0.002,591 0.004,592 0.022,593 0.011,594 0.011,595 0.024,596 -0.072,597 0.01,598 -0.041,599 0.014,600 -0.065,601 -0.043,602 -0.059,603 0.036,604 0.012,605 0.039,606 -0.072,607 0.078,608 2.42,609 4.304,610 0.37,611 33.723,612 1.003,613 1.131,614 1.476,615 2.178,616 0.638,617 3.367,618 3.611,619 3.761,620 3.932,621 3.912,622 3.892,623 3.892,624 3.912,625 3.932,626 3.989,627 7.736,628 0.584,629 417.65,630 3.367,631 4.86,632 5.652,633 6.485,634 7.302,635 8.143,636 8.974,637 9.822,638 10.664,639 11.518,640 1.7,647 1,651 2,652 1,655 1,656 1,658 5,670 58,671 6,673 28,675 59,676 19,677 3,681 2,682 2,688 3,689 2,691 12,693 4,694 15,695 2,696 1,698 1,701 1,704 1,707 31,708 6,709 4,710 8,711 2,714 1,717 1,718 5,719 3,730 2,739 1,746 4,748 2,749 1,750 2,756 27,759 4,760 10,763 1,764 5,768 1,773 8.6,774 3,775 1,776 1,779 14.833,780 9.333,781 6.167,782 3.7,785 0.664,786 1.1,787 0.826,788 10.401,789 7.317,790 3.481,791 3.834,792 4.084,793 4.389,794 4.225,795 4.232,796 4.264,797 4.337,798 4.316,799 4.496,800 0.889,801 32,802 10.147,803 4.318,804 7.969,805 19.524,806 16.42,807 2.469,808 66.667,811 1,812 317.82,813 104.814,814 16.786,816 195.878,818 63.497,819 41.317,820 513.698,821 16.786,823 23.71,824 135.699,825 97.295,826 9.047,827 11.771,828 357.775,830 317.82,831 58.102,832 195.878,833 63.497,835 247.193,836 138.455,837 128.05,839 32.758,840 8.559,841 16.786,842 63.497,843 317.82,844 212.664,845 104.814,848 317.82,849 88.118,850 16.696,852 212.664,853 317.82,854 212.664,855 104.814,857 0.563,858 0.303,859 0.155,860 0.073,861 13,862 7,863 0.22,864 13,866 1,867 4.026,868 198.601,870 10,871 128.382,872 2,874 22.921,875 12.252,876 8.262,878 212.664,879 3.666,880 4.189,883 1.561,884 0.95,886 170.733,887 635.298,888 31.5,890 10.518,893 -0.754,895 58.145,896 65.613,897 0.27,898 0.524,899 0.72,900 0.858,901 0.912,902 0.923,903 4.703,904 1.298,905 5.602,906 3.447,907 4.29,908 4.516,909 3.295,910 6.319,911 4.162,912 5.799,913 1.114,914 7.106,915 2.804,916 3.761,917 4.034,918 2.243,919 7.096,920 3.578,921 7.026,922 0.78,923 8.715,924 2.422,925 5.784,926 6.282,927 5.242,928 10.173,929 5.565,930 8.28,931 0.618,932 10.39,933 1.762,934 6.111,935 6.658,936 4.112,937 11.903,938 5.854,939 9.57,940 0.434,941 12.112,942 1.372,943 7.579,944 8.35,945 7.313,946 14.502,947 7.307,948 10.883,949 0.196,950 13.869,951 0.981,952 8.326,953 9.132,954 5.889,955 16.631,956 8.039,957 12.213,958 -0.24,959 15.653,960 0.426,961 9.577,962 10.587,963 9.427,964 19.08,965 9.282,966 3.148,967 -0.559,968 17.46,969 -0.551,970 10.532,971 11.576,972 7.625,973 21.363,974 10.233,975 2.574,976 10.723,977 19.285,978 -1.302,979 11.702,980 12.919,981 11.56,982 23.762,983 11.398,984 2.304,985 7.055,986 21.125,987 3.48,988 12.756,989 14.016,990 9.342,991 26.101,992 12.45,993 2.236,994 6.282,995 22.976,996 3.148,997 13.9,998 15.304,999 13.706,1000 28.483,1001 13.588,1002 2.036,1003 5.888,1004 24.838,1005 2.71,1006 15.001,1007 16.461,1008 11.051,1009 30.843,1010 14.682,1011 1.774,1012 5.184,1013 26.707,1014 2.358,1015 16.138,1016 17.722,1017 15.858,1018 33.219,1019 15.812,1020 1.588,1021 4.751,1022 28.582,1023 2.042,1024 17.261,1025 18.913,1026 12.755,1027 35.586,1028 16.925,1029 9508,1030 16893,1031 18.087,1032 36.995,1033 40.694,1034 43.333,1035 41.161,1036 40.171,1037 40.198,1038 44.757,1039 10.582,1040 106.195,1041 37.38,1042 5.128,1043 6.385,1044 6.506,1045 5.303,1046 5.148,1047 6.065,1048 5.9,1049 17.488,1050 5.067,1051 15.479,1052 1.453,1053 1.548,1054 1.47,1055 1.435,1056 1.436,1057 1.598,1058 0.378,1059 3.793,1060 1.335,1061 3.975,1062 4.015,1063 4.289,1064 3.881,1065 7.474,1066 3.861,1067 3.788,1068 3.804,1069 3.86,1070 3.817,1071 6.465,1072 3.714,1073 3.747,1074 3.798,1075 3.638,1076 3.611,1077 6.448,1078 3.598,1079 3.61,1080 3.655,1081 3.604,1082 3.48,1083 6.433,1084 3.457,1085 3.499,1086 3.543,1087 3.372,1088 3.317,1089 6.351,1090 3.314,1091 3.195,1092 3.244,1093 3.23,1094 3.058,1095 4.834,1096 2.997,1097 3.173,1098 3.236,1099 3.026,1100 2.963,1101 4.207,1102 2.968,1103 2.946,1104 2.989,1105 2.856,1106 2.66,1107 4.042,1108 2.657,1109 0.148,1110 0.158,1111 0.239,1112 0.147,1113 0.112,1114 4.148,1115 0.124,1116 4.417,1117 0.105,1118 6.682,1119 0.383,1120 4.13,1121 0.11,1122 3.148,1123 3.48,1124 2.95,1125 10.723,1126 3.088,1127 1.837,1128 1.789,1129 2.054,1130 1.981,1131 1.467,1132 2.008,1133 1.737,1134 1.687,1135 1.962,1136 1.902,1137 1.34,1138 1.926,1139 1.614,1140 1.569,1141 1.843,1142 1.804,1143 1.202,1144 1.816,1145 1.521,1146 1.487,1147 1.739,1148 1.716,1149 1.092,1150 1.73,1151 1.392,1152 1.355,1153 1.628,1154 1.607,1155 0.961,1156 1.616,1157 1.356,1158 1.325,1159 1.487,1160 1.511,1161 0.725,1162 1.521,1163 1.214,1164 1.191,1165 1.411,1166 1.366,1167 0.575,1168 1.401,1169 1.05,1170 0.997,1171 1.277,1172 1.259,1173 0.537,1174 1.297,1175 4.043,1177 5.303,1178 3.045,1179 6.715,1180 5.352,1181 8.207,1182 7.38,1183 9.751,1189 39.472,1190 6.852,1193 1.547,1194 -1.334,1199 33.872,1200 91.863,1201 178.157,1202 244.743,1203 291.498,1204 309.763,1205 313.763,1206 101.303,1207 6.653,1208 110.88,1209 164.42,1210 10,1211 12.076,1212 2.807,1213 2.17,1214 58.617,1215 119,1216 132,1217 0.226,1218 218.493,1219 385.69,1220 524.884,1221 6869,1223 19.648,1224 0.728,1225 0.637,1226 20.355,1227 17.206,1228 12.969,1229 0.463,1230 0.415,1231 9.819,1232 11.693,1233 9.491,1234 7.803,1235 13.877,1236 11.618,1237 11.314,1238 0.314,1239 0.265,1240 12.573,1241 9.547,1242 8.36,1243 0.199,1244 0.177,1245 9.835,1246 7.452,1247 6.504,1248 0.13,1249 0.111,1250 7.791,1251 5.548,1252 4.285,1253 0.087,1254 0.076,1255 5.3,1256 3.704,1257 0.368,1258 90.239,1259 0.235,1260 26.869,1261 0.587,1262 128,1263 381.7,1264 191.717,1265 397.539,1266 505.37,1267 368,1268 142,1269 300.407,1270 187.88,1271 326.211,1272 470.91,1273 306,1274 5.846}
{0 CHEMBL176692,1 1.38,2 13.724,3 4.148,4 17.206,5 117.352,6 6.533,7 0.2,8 4.218,9 4.336,10 3.667,11 3.748,12 5.221,13 3.667,14 4.805,15 4.983,16 4.003,17 4.177,18 5.786,19 4.043,20 5.18,21 5.42,22 4.06,23 4.332,24 6.055,25 4.155,26 5.239,27 5.508,28 3.951,29 4.315,30 6.101,31 4.107,32 5.209,33 5.481,34 3.858,35 4.253,36 6.039,37 4.058,38 5.174,39 5.437,40 3.915,41 4.211,42 6.111,43 4.04,44 5.177,45 5.443,46 3.926,47 4.197,48 6.129,49 4.005,50 5.089,51 5.362,52 3.752,53 4.117,54 5.943,55 3.914,56 0.091,57 0.842,58 16.68,59 7.419,60 20.183,61 9.427,62 0.246,63 1.412,64 31.444,65 12.843,66 51.844,67 16.565,68 0.467,69 1.811,70 47.264,71 16.605,72 80.812,73 21.817,74 0.584,75 1.849,76 49.439,77 17.165,78 98.393,79 22.881,80 0.502,81 1.763,82 48.24,83 16.273,84 86.388,85 21.788,86 0.578,87 1.675,88 44.035,89 15.044,90 101.933,91 20.505,92 0.678,93 1.667,94 47.199,95 15.298,96 111.889,97 20.337,98 0.556,99 1.541,100 44.946,101 14.363,102 86.64,103 18.938,104 44,105 39,106 0.225,107 0.495,108 0.712,109 0.849,110 0.895,111 0.905,112 3.407,113 1.181,114 -4.27,115 -4.21,116 -3.98,118 35.4,119 1,120 9,121 2,124 1,125 3,133 4,134 1,135 1,145 1,150 1,153 1,154 14,155 1,158 1,160 1,162 6,164 18,165 1,167 1,170 7,171 15,172 1,175 1,178 1,179 6,180 12,181 1,184 1,189 7,192 9,193 1,196 1,199 1,200 7,202 10,203 1,206 1,209 1,210 7,211 12,212 1,215 1,219 5,222 10,223 1,226 1,230 5,231 1,233 10,234 2,236 1707,237 19.035,238 19.035,239 19.035,240 19.035,241 19.035,242 18.052,243 13.8,244 11.652,245 19.336,246 14.804,247 14.804,248 14.804,249 14.804,250 14.804,251 13.367,252 9.764,253 5.587,254 15.343,255 4.643,256 2.986,257 1.658,258 0.816,259 0.535,260 0.473,261 4.071,265 1,266 1,267 807,268 4.359,270 99.812,271 114.521,277 2.542,278 39.235,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 63,289 398,290 4.148,291 4.418,292 6.682,293 4.13,294 3.148,295 3.648,296 2.95,297 10.723,298 3.088,299 4.043,300 3.596,301 5.512,302 3.615,303 2.666,304 3.148,305 2.341,306 7.462,307 2.541,308 3.55,309 3.258,310 5.353,311 3.296,312 2.35,313 2.71,315 6.306,316 2.224,317 3.41,318 2.954,319 5.024,320 3.241,321 2.236,322 2.58,324 5.961,325 2.207,326 3.233,327 2.477,328 4.726,329 3.002,330 2.046,331 2.313,333 5.24,334 1.947,335 3.036,336 2.324,337 4.661,338 2.886,339 1.942,340 2.038,342 5.184,343 1.811,344 2.79,345 2.14,346 4.655,347 2.749,348 1.771,349 1.79,351 4.746,352 1.723,353 2.671,354 1.902,355 3.796,356 2.566,357 1.585,358 1.746,360 3.446,361 1.545,362 2.606,363 1.724,364 3.506,365 2.197,366 1.213,367 1.603,369 2.637,370 1.187,371 2.168,372 1.319,373 3.466,374 2.105,375 1.122,376 1.15,378 2.457,379 1.096,380 1.878,381 1.292,382 3.211,383 1.775,384 0.817,385 0.849,387 1.859,388 0.772,389 1.589,390 0.951,391 2.937,392 1.401,393 0.506,394 0.535,395 1.157,396 0.438,397 1.282,398 0.615,399 2.615,400 1.168,401 0.221,402 0.227,403 0.483,404 0.208,405 0.936,406 0.495,407 2.363,408 0.736,409 -0.23,410 -0.235,411 -0.534,412 -0.22,413 0.824,414 0.308,415 2.263,416 0.593,417 -0.399,418 -0.5,419 -0.882,420 -0.392,421 14,422 0.483,423 0.723,424 0.025,425 24.25,426 0.836,427 8,428 0.276,429 16.25,430 0.56,431 36.866,432 1.271,433 35.2,434 0.542,435 15.186,436 0.524,437 3.713,438 0.128,439 10.15,440 0.35,441 0.155,443 0.286,447 0.917,448 1.147,449 0.949,450 1.078,451 0.907,452 1.114,453 0.626,454 1.285,455 1.072,456 1.269,457 0.589,458 1.238,459 0.973,460 1.101,461 1.086,462 1.113,463 0.969,464 1.102,465 0.831,466 1.005,467 1.033,468 1.025,469 0.792,470 1.024,471 0.95,472 1,473 1.084,474 1.046,475 0.903,476 0.996,477 1.001,478 0.972,479 0.873,480 0.914,481 0.974,482 0.973,483 1.095,484 0.937,485 0.997,486 0.942,487 1.048,488 0.962,489 1.087,490 0.922,491 1.165,492 1.023,493 1.051,494 0.946,495 6,496 0.234,497 2.889,498 2.139,499 1.152,500 0.781,501 0.576,502 0.309,503 0.262,504 0.274,505 11421,506 30019,507 1.938,508 55.4,509 15,510 9,513 4,514 2,515 4,516 2,517 1.717,518 1.794,519 3.696,520 1.595,522 1,525 89.685,526 1.38,527 3.036,528 4.364,529 5.207,530 5.488,531 5.549,532 3.224,533 4.651,534 4.822,535 3.947,536 1602.33,537 8.388,538 23822.6,542 391.454,543 1.475,544 4.773,545 0.2,546 0.008,547 0.074,548 0.058,549 0.035,550 0.024,551 0.017,552 0.01,553 0.01,554 0.009,555 0.445,557 0.88,558 1.81,559 152.337,560 -0.101,561 0.134,562 0.018,563 0.137,564 -0.103,565 0.075,566 0.067,567 -0.102,568 -0.051,569 -0.088,570 0.091,571 -0.108,572 -0.072,573 -0.065,574 -0.055,575 -0.058,576 -0.086,577 -0.08,578 0.007,579 -0.021,580 -0.028,581 -0.017,582 0.01,583 -0.032,584 -0.061,585 -0.027,586 -0.065,587 -0.044,588 -0.051,589 -0.014,590 0.001,591 -0.021,592 0.018,593 -0.003,594 -0.006,595 -0.01,596 -0.024,597 0.016,598 0.018,599 0.026,600 -0.021,601 -0.003,602 -0.094,603 0.045,604 -0.058,605 0.01,606 -0.101,607 0.026,608 2.418,609 4.384,610 0.379,611 37.493,612 0.994,613 1.13,614 3.042,615 9.251,616 0.625,617 3.434,618 3.689,619 3.829,620 4.007,621 4.078,622 4.007,623 3.989,624 3.989,625 4.06,626 4.078,627 8.19,628 0.573,629 424.66,630 3.434,631 4.934,632 5.727,633 6.564,634 7.38,635 8.224,636 9.054,637 9.904,638 10.743,639 11.598,651 4,656 2,658 6,670 65,671 7,672 1,673 30,675 66,676 23,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,691 12,693 7,694 16,695 2,696 1,698 1,701 1,707 36,708 5,709 4,710 6,711 1,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,749 1,750 1,752 1,756 29,759 4,760 10,763 1,764 5,773 7.7,774 3,775 1,776 1,779 16.167,780 10.883,781 6.583,782 4.181,785 0.965,786 1.141,787 0.834,788 10.677,789 7.817,790 3.555,791 3.942,792 4.208,793 4.55,794 4.839,795 4.669,796 4.563,797 4.595,798 4.768,799 4.739,800 1,801 37,802 10.901,803 4.609,804 7.897,805 21.104,806 17.708,807 2.397,808 69.5,812 376.675,813 108.306,816 195.878,818 32.22,819 76.087,820 572.554,822 8.825,823 23.71,824 165.955,825 68.738,826 4.736,828 408.895,830 376.675,831 76.087,832 195.878,833 32.22,835 306.049,836 138.455,837 128.05,839 32.536,840 43.551,842 32.22,843 376.675,844 195.878,845 108.306,848 376.675,849 61.576,850 46.73,852 195.878,853 376.675,854 195.878,855 108.306,857 0.567,858 0.303,859 0.155,860 0.081,861 14,862 8,863 0.197,864 13,866 1,867 4.163,868 220.055,870 11,871 138.881,872 1,874 24.361,875 12.71,876 8.773,878 195.878,879 8.237,884 2.361,886 170.733,887 680.86,888 34,890 10.549,893 -0.751,895 64.618,896 73.441,897 0.229,898 0.504,899 0.725,900 0.865,901 0.911,902 0.921,903 4.783,904 1.585,905 5.687,906 4.746,907 4.369,908 4.625,909 3.295,910 6.409,911 4.3,912 5.898,913 1.213,914 7.195,915 3.446,916 3.892,917 4.248,918 2.243,919 7.182,920 3.77,921 7.138,922 1.122,923 8.805,924 2.637,925 5.872,926 6.457,927 5.242,928 10.249,929 5.747,930 8.402,931 0.817,932 10.477,933 2.457,934 6.196,935 6.827,936 4.112,937 11.946,938 6.024,939 9.698,940 0.506,941 12.193,942 1.859,943 7.664,944 8.601,945 7.313,946 14.549,947 7.492,948 11.015,949 0.221,950 13.942,951 1.157,952 8.395,953 9.324,954 5.889,955 16.657,956 8.188,957 12.349,958 -0.23,959 15.718,960 0.483,961 9.652,962 10.919,963 9.427,964 19.105,965 9.441,966 3.148,967 -0.399,968 17.517,969 -0.534,970 10.591,971 11.835,972 7.625,973 21.378,974 10.356,975 2.666,976 10.723,977 19.334,978 -0.882,979 11.764,980 13.334,981 11.56,982 23.775,983 11.52,984 2.35,985 7.462,986 21.167,987 3.648,988 12.807,989 14.369,990 9.342,991 26.11,992 12.544,993 2.236,994 6.306,995 23.012,996 3.148,997 13.95,998 15.807,999 13.706,1000 28.49,1001 13.676,1002 2.046,1003 5.961,1004 24.868,1005 2.71,1006 15.043,1007 16.92,1008 11.051,1009 30.848,1010 14.751,1011 1.942,1012 5.24,1013 26.733,1014 2.58,1015 16.178,1016 18.315,1017 15.858,1018 33.222,1019 15.874,1020 1.771,1021 5.184,1022 28.604,1023 2.313,1024 17.295,1025 19.483,1026 12.755,1027 35.589,1028 16.974,1029 11560,1030 18797,1031 19.186,1032 40.625,1033 43.341,1034 46.702,1035 44.686,1036 43.302,1037 43.243,1038 48.678,1039 10.582,1040 115.322,1041 41.575,1042 5.127,1043 6.418,1044 6.506,1045 5.225,1046 5.148,1047 6.648,1048 5.9,1049 17.488,1050 5.088,1051 17.922,1052 1.445,1053 1.557,1054 1.49,1055 1.443,1056 1.441,1057 1.623,1058 0.353,1059 3.844,1060 1.386,1061 3.982,1062 4.021,1063 4.029,1064 3.909,1065 7.474,1066 3.885,1067 3.902,1068 3.928,1069 3.85,1070 3.844,1071 6.465,1072 3.831,1073 3.747,1074 3.8,1075 3.617,1076 3.612,1077 6.448,1078 3.599,1079 3.626,1080 3.672,1081 3.587,1082 3.5,1083 6.433,1084 3.475,1085 3.5,1086 3.544,1087 3.374,1088 3.319,1089 6.351,1090 3.316,1091 3.22,1092 3.284,1093 3.268,1094 3.137,1095 4.731,1096 3.072,1097 3.193,1098 3.243,1099 3.026,1100 2.976,1101 4.207,1102 2.969,1103 3.134,1104 3.211,1105 2.937,1106 2.962,1107 4.043,1108 2.949,1109 0.138,1110 0.147,1111 0.223,1112 0.138,1113 0.105,1114 4.148,1115 0.122,1116 4.418,1117 0.098,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.648,1124 2.95,1125 10.723,1126 3.088,1127 1.91,1128 1.888,1129 2.055,1130 1.985,1131 1.467,1132 2.012,1133 1.835,1134 1.787,1135 2.017,1136 1.969,1137 1.341,1138 1.995,1139 1.733,1140 1.682,1141 1.96,1142 1.899,1143 1.206,1144 1.921,1145 1.611,1146 1.565,1147 1.843,1148 1.803,1149 1.149,1150 1.815,1151 1.507,1152 1.464,1153 1.738,1154 1.712,1155 1.071,1156 1.724,1157 1.382,1158 1.335,1159 1.627,1160 1.604,1161 0.955,1162 1.612,1163 1.209,1164 1.14,1165 1.532,1166 1.408,1167 0.715,1168 1.46,1169 1.099,1170 1.035,1171 1.409,1172 1.358,1173 0.598,1174 1.376,1175 4.111,1177 5.38,1178 2.398,1179 6.81,1180 4.844,1181 8.322,1182 6.986,1183 9.883,1185 2.055,1189 39.776,1190 6.934,1193 1.647,1194 -1.308,1199 37.243,1200 89.685,1201 197.338,1202 283.679,1203 338.434,1204 356.699,1205 360.699,1206 112.501,1207 6.852,1208 97.99,1209 123.29,1210 11,1211 12.157,1212 3,1213 2.322,1214 65.794,1215 137,1216 150,1217 0.222,1218 236.01,1219 422.74,1220 567.625,1221 9104,1223 21.225,1224 0.732,1225 0.627,1226 21.579,1227 18.189,1228 13.863,1229 0.462,1230 0.394,1231 10.824,1232 13.033,1233 10.479,1234 8.67,1235 14.317,1236 11.805,1237 12.301,1238 0.315,1239 0.244,1240 12.878,1241 9.497,1242 8.93,1243 0.198,1244 0.158,1245 9.649,1246 7.103,1247 7.027,1248 0.13,1249 0.099,1250 7.705,1251 5.352,1252 5.067,1253 0.087,1254 0.063,1255 5.663,1256 3.665,1257 0.362,1258 90.606,1259 0.228,1260 28.517,1261 0.572,1262 138,1263 369.195,1264 171.022,1265 369.832,1266 471.72,1267 342,1268 153,1269 293.542,1270 180.234,1271 308.385,1272 441.79,1273 290,1274 7.201}
{0 CHEMBL1770317,1 1.552,2 10.222,3 2.824,4 7.974,5 100.599,6 8.054,7 0.367,8 3.923,9 4.019,10 3.552,11 3.507,12 5.108,13 3.503,14 4.451,15 4.576,16 3.988,17 3.928,18 5.694,19 3.909,20 4.738,21 4.887,22 4.113,23 4.102,24 5.949,25 4.075,26 4.875,27 5.047,28 4.123,29 4.111,30 6.189,31 4.076,32 4.89,33 5.082,34 3.981,35 4.007,36 6.271,37 3.957,38 4.723,39 4.953,40 3.588,41 3.735,42 6.038,43 3.658,44 4.247,45 4.468,46 3.396,47 3.495,48 5.33,49 3.428,50 4.103,51 4.252,52 3.439,53 3.467,54 5.334,55 3.432,56 0.067,57 0.614,58 7.695,59 4.069,60 9.652,61 4.71,62 0.376,63 1,64 14.911,65 7.124,66 38.636,67 8.752,68 0.382,69 1.281,70 21.72,71 9.61,72 61.899,73 11.463,74 0.672,75 1.454,76 27.012,77 10.448,78 92.112,79 12.612,80 0.753,81 1.479,82 28.807,83 10.093,84 113.721,85 12.161,86 0.825,87 1.192,88 27.682,89 8.566,90 144.363,91 10.428,92 0.23,93 0.765,94 15.558,95 6.093,96 38.962,97 7.945,98 0.16,99 0.668,100 11.4,101 5.118,102 21.515,103 6.051,104 27,105 45,106 0.264,107 0.623,108 0.747,109 0.829,110 0.847,111 0.862,112 3.341,113 0.869,114 -3.67,115 -3.64,116 -3.46,118 46.7,119 2,121 1,126 1,129 2,130 1,132 1,133 7,134 3,145 2,146 1,154 15,157 1,158 3,160 4,162 3,164 18,166 1,167 6,170 5,171 18,174 2,175 9,177 1,179 6,180 14,183 1,184 8,187 2,188 1,189 5,192 10,195 1,196 4,198 1,200 2,202 7,206 5,210 2,211 9,215 7,219 2,222 9,226 7,230 2,233 7,236 935,237 17.918,238 17.918,239 17.918,240 17.918,241 17.918,242 15.874,243 14.734,244 10.134,245 18.072,246 14.738,247 14.738,248 14.738,249 14.738,250 14.738,251 11.52,252 18.251,253 4.689,254 14.97,255 3.94,256 1.835,257 1.109,258 0.628,259 0.522,260 0.434,261 4.032,264 1,265 1,266 1,267 601,268 3.162,270 75.422,271 232.642,275 127.054,277 1.621,278 35.822,279 1,280 1,281 1,282 1,283 0.6,284 0.5,285 1,286 1,287 0.87,288 59,289 276,290 4.841,291 4.403,292 8.227,293 4.698,294 3.73,295 4.357,296 2.408,297 16.079,298 3.607,299 4.446,300 3.598,301 6.309,302 3.996,303 3.003,304 4.069,305 1.932,306 9.621,307 2.983,308 4.116,309 3.418,310 6.086,311 3.715,312 2.726,313 3.54,314 1.058,315 8.728,316 2.689,317 3.774,318 2.993,319 5.876,320 3.387,321 2.389,322 3.079,323 0.949,324 7.694,325 2.377,326 3.447,327 2.928,328 5.282,329 3.135,330 2.148,331 2.58,333 6.021,334 2.092,335 3.118,336 2.635,337 4.848,338 2.668,339 1.645,340 2.427,342 4.497,343 1.658,344 3.07,345 1.816,346 4.6,347 2.618,348 1.618,349 2.259,351 4.438,352 1.618,353 3.043,354 1.621,355 4.432,356 2.54,357 1.544,358 2.06,360 4.065,361 1.537,362 2.871,363 1.618,364 4.236,365 2.415,366 1.41,367 1.933,369 3.601,370 1.406,371 2.763,372 1.405,373 3.948,374 2.297,375 1.303,376 1.751,378 2.949,379 1.292,380 2.17,381 1.305,382 3.609,383 1.895,384 0.946,385 1.06,387 2.525,388 0.888,389 2.095,390 0.834,391 3.205,392 1.653,393 0.656,394 0.955,395 1.545,396 0.653,397 1.291,398 0.731,399 3.138,400 0.919,401 -0.086,402 -0.102,403 -0.224,404 -0.085,405 1.027,406 0.672,407 2.654,408 0.597,409 -0.41,410 -0.551,411 -1.016,412 -0.41,413 1,414 0.513,415 2.499,416 0.517,417 -0.548,418 -0.758,419 -1.297,420 -0.563,421 12.633,422 0.468,423 0.844,424 0.031,425 34.75,426 1.287,427 17.5,428 0.648,429 17.25,430 0.639,431 22.346,432 0.828,433 28.167,434 0.626,435 28.409,436 1.052,437 6.913,438 0.256,439 6.001,440 0.222,441 0.158,442 0.04,443 0.356,447 0.677,448 1.091,449 0.703,450 0.959,451 0.558,452 0.851,453 0.43,454 0.973,455 0.671,456 0.95,457 0.475,458 0.887,459 0.891,460 1.093,461 0.869,462 1.058,463 0.853,464 0.981,465 1.025,466 1.098,467 1.007,468 1.042,469 0.828,470 1.024,471 1.237,472 1.09,473 1.211,474 1.087,475 1.32,476 1.127,477 1.501,478 0.715,479 1.259,480 0.732,481 1.751,482 0.894,483 0.783,484 0.84,485 0.779,486 0.855,487 0.801,488 0.823,489 0.979,490 1.087,491 0.949,492 1.113,493 0.788,494 1.045,495 7,496 0.182,497 4.444,498 2.944,499 2.264,500 1.066,501 0.571,502 0.405,503 0.28,504 0.247,505 8475,506 24481,507 2.066,508 40,509 6,510 9,513 2,515 1,517 1.701,518 1.895,519 3.256,520 0.231,521 1,522 1,525 69.836,526 1.552,527 3.657,528 4.383,529 4.864,530 4.969,531 5.058,532 2.698,533 4.385,534 4.728,535 3.452,536 1211.66,537 8.207,538 15026.9,540 1,541 1,542 247.133,543 1.675,544 4.66,545 0.233,546 0.01,547 0.099,548 0.059,549 0.047,550 0.027,551 0.022,552 0.017,553 0.011,554 0.011,555 0.536,556 0.5,557 1,558 0.803,559 132.063,560 -0.054,561 0.005,562 0.031,563 0.028,564 -0.066,565 0.048,566 0.329,567 0.072,568 0.15,569 0.041,570 0.123,571 0.045,572 0.013,573 -0.107,574 0.025,575 -0.063,576 -0.031,577 -0.026,578 0.045,579 -0.104,580 -0.041,581 -0.078,582 0.082,583 -0.079,584 -0.056,585 -0.075,586 -0.194,587 -0.154,588 -0.018,589 -0.195,590 -0.19,591 0.256,592 -0.145,593 0.209,594 -0.177,595 0.079,596 -0.003,597 0.105,598 0.217,599 0.152,600 -0.001,601 0.22,602 -0.087,603 -0.111,604 -0.057,605 -0.113,606 0.002,607 -0.084,608 2.868,609 5.799,610 0.778,611 22.357,612 1.013,613 1.115,614 2.441,615 5.957,616 0.687,617 3.434,618 3.829,619 4.174,620 4.477,621 4.663,622 4.673,623 4.82,624 4.927,625 5.037,626 5.106,627 6.036,628 0.669,629 362.41,630 3.434,631 5.017,632 5.911,633 6.834,634 7.746,635 8.672,636 9.591,637 10.517,638 11.439,639 12.367,640 4.4,644 2,650 2,651 7,656 1,658 11,670 45,671 16,672 2,673 30,675 48,676 21,677 10,678 3,679 7,680 5,681 4,682 5,685 2,689 1,693 17,694 4,695 2,696 5,698 3,699 2,701 5,703 1,704 1,707 18,708 6,709 2,710 6,714 2,716 1,717 0.75,718 4,730 1,731 3,735 1,737 1,741 3,742 1,745 1,748 3,752 2,756 27,761 2,762 1,764 1,766 1,773 8.9,776 3,778 1,779 14.25,780 8.75,781 5.792,782 2.743,785 3.255,786 1.43,787 0.986,788 4.123,789 10.83,790 3.726,791 4.337,792 4.929,793 5.509,794 6.046,795 6.338,796 6.782,797 7.204,798 7.646,799 7.863,800 0.857,801 50,802 10.092,803 4.588,804 7.997,805 18.669,806 15.797,807 2.497,808 67.417,811 1,812 188.338,813 133.382,814 36.022,816 86.435,819 133.382,820 274.772,821 36.022,822 17.65,823 36.022,824 85.286,825 87.601,826 22.517,827 6.763,828 188.338,830 188.338,831 169.404,832 86.435,835 176.567,836 98.206,839 53.672,840 94.023,841 21.709,843 188.338,844 122.456,845 133.382,848 188.338,849 30.446,850 102.937,851 36.022,852 86.435,853 188.338,854 122.456,855 133.382,857 0.6,858 0.373,859 0.211,860 0.109,861 24,862 11,863 0.063,864 3,865 1,866 1.095,867 3.716,868 245.85,869 0.095,870 21,871 126.382,874 17.502,875 6.361,876 2.752,877 2.163,878 122.456,879 13.842,884 0.851,886 36.022,887 444.176,888 40.5,890 36.796,891 3.284,893 -1.18,895 45.582,896 50.156,897 0.283,898 0.666,899 0.798,900 0.886,901 0.905,902 0.921,903 5.009,904 1.544,905 5.958,906 4.438,907 4.511,908 5.024,909 3.033,910 6.907,911 4.479,912 6.256,913 1.41,914 7.615,915 4.065,916 4.369,917 4.977,918 2.506,919 8.373,920 4.317,921 7.609,922 1.303,923 9.396,924 3.601,925 6.267,926 7.24,927 4.238,928 11.545,929 6.187,930 9.001,931 0.946,932 11.26,933 2.949,934 6.976,935 7.976,936 4.39,937 13.946,938 6.86,939 10.427,940 0.656,941 13.184,942 2.525,943 8.431,944 9.773,945 5.707,946 16.79,947 8.288,948 11.881,949 -0.086,950 15.153,951 1.545,952 9.5,953 10.872,954 6.187,955 19.47,956 9.315,957 13.355,958 -0.41,959 17.158,960 -0.224,961 10.825,962 12.476,963 7.298,964 22.256,965 10.609,966 3.73,967 -0.548,968 19.188,969 -1.016,970 12.036,971 13.752,972 7.951,973 25.009,974 11.78,975 3.003,976 16.079,977 21.238,978 -1.297,979 13.333,980 15.271,981 8.955,982 27.786,983 13.042,984 2.726,985 9.621,986 23.303,987 4.357,988 14.601,989 16.633,990 9.704,991 30.557,992 14.27,993 2.389,994 8.728,995 25.38,996 4.069,997 15.897,998 18.113,999 10.649,1000 33.334,1001 15.53,1002 2.148,1003 7.694,1004 27.464,1005 3.54,1006 17.188,1007 19.52,1008 11.454,1009 36.109,1010 16.783,1011 1.645,1012 6.021,1013 29.554,1014 3.079,1015 18.49,1016 20.984,1017 12.368,1018 38.887,1019 18.049,1020 1.618,1021 4.497,1022 31.649,1023 2.58,1024 19.793,1025 22.414,1026 13.204,1027 41.664,1028 19.314,1029 8075,1030 13872,1031 19.592,1032 30.921,1033 47.107,1034 49.101,1035 49.589,1036 46.191,1037 46.236,1038 60.139,1039 12.693,1040 143.524,1041 45.604,1042 5.814,1043 6.403,1044 7.914,1045 5.766,1046 5.73,1047 7.357,1048 4.222,1049 24.337,1050 5.607,1051 14.477,1052 1.57,1053 1.637,1054 1.653,1055 1.54,1056 1.541,1057 2.005,1058 0.423,1059 4.784,1060 1.52,1061 4.105,1062 4.125,1063 4.061,1064 4.061,1065 7.454,1066 4.058,1067 3.949,1068 3.965,1069 3.911,1070 3.825,1071 7.428,1072 3.84,1073 3.697,1074 3.731,1075 3.645,1076 3.556,1077 7.41,1078 3.564,1079 3.454,1080 3.514,1081 3.346,1082 3.321,1083 4.913,1084 3.314,1085 3.416,1086 3.451,1087 3.29,1088 3.188,1089 4.609,1090 3.224,1091 3.063,1092 3.106,1093 2.967,1094 2.97,1095 4.433,1096 2.962,1097 2.949,1098 3.009,1099 2.869,1100 2.793,1101 4.195,1102 2.805,1103 2.905,1104 2.973,1105 2.862,1106 2.618,1107 4.046,1108 2.662,1109 0.161,1110 0.147,1111 0.274,1112 0.157,1113 0.124,1114 4.841,1115 0.145,1116 4.403,1117 0.08,1118 8.227,1119 0.536,1120 4.698,1121 0.12,1122 3.73,1123 4.357,1124 2.408,1125 16.079,1126 3.607,1127 2.084,1128 2.066,1129 2.164,1130 2.138,1131 1.304,1132 2.148,1133 1.857,1134 1.835,1135 1.986,1136 1.984,1137 1.246,1138 1.98,1139 1.636,1140 1.591,1141 1.826,1142 1.794,1143 0.931,1144 1.809,1145 1.426,1146 1.384,1147 1.604,1148 1.619,1149 0.683,1150 1.574,1151 1.245,1152 1.215,1153 1.417,1154 1.549,1155 0.469,1156 1.531,1157 1.093,1158 1.062,1159 1.359,1160 1.335,1161 0.413,1162 1.308,1163 1.008,1164 0.981,1165 1.288,1166 1.239,1167 0.33,1168 1.289,1169 0.934,1170 0.804,1171 1.161,1172 1.196,1173 0.114,1174 1.213,1175 4.111,1177 5.485,1178 2.398,1179 7.071,1180 4.844,1181 8.755,1182 7.034,1183 10.491,1185 3.462,1191 4.95,1192 5.273,1194 -0.406,1196 -1.618,1199 30.116,1200 69.836,1201 164.546,1202 197.217,1203 218.869,1204 223.624,1205 227.624,1206 57.693,1207 7.576,1208 88.26,1209 88.26,1210 23,1211 12.871,1212 4.087,1213 3.524,1214 40.252,1215 101,1216 94,1217 0.205,1218 182.936,1219 331.38,1220 438.123,1221 18896,1223 19.181,1224 0.71,1225 0.552,1226 19.181,1227 14.906,1228 12.914,1229 0.43,1230 0.29,1231 8.587,1232 12.484,1233 8.345,1234 6.933,1235 12.914,1236 8.69,1237 12.248,1238 0.272,1239 0.154,1240 12.248,1241 6.911,1242 10.597,1243 0.166,1244 0.078,1245 10.597,1246 4.99,1247 9.463,1248 0.109,1249 0.041,1250 9.463,1251 3.563,1252 7.453,1253 0.071,1254 0.022,1255 7.453,1256 2.279,1257 0.317,1258 80.792,1259 0.226,1260 25.549,1261 0.576,1262 150,1263 463.608,1264 165.954,1265 443.928,1266 603.23,1267 412,1268 184,1269 445.689,1270 199.624,1271 448.818,1272 669.49,1273 423,1274 4.3}
{0 CHEMBL1794823,1 1.504,2 13.786,3 2.985,4 8.908,5 110.81,6 6.729,7 0.367,8 4.115,9 4.256,10 3.585,11 3.608,12 5.152,13 3.568,14 4.677,15 4.874,16 3.873,17 4.001,18 5.638,19 3.917,20 4.966,21 5.229,22 3.775,23 4.101,24 5.813,25 3.961,26 4.966,27 5.233,28 3.709,29 4.065,30 5.831,31 3.914,32 4.961,33 5.236,34 3.711,35 4.025,36 5.837,37 3.879,38 4.931,39 5.204,40 3.679,41 3.986,42 5.804,43 3.848,44 4.888,45 5.159,46 3.621,47 3.941,48 5.836,49 3.795,50 4.815,51 5.091,52 3.586,53 3.896,54 5.677,55 3.755,56 0.12,57 0.852,58 13.291,59 5.388,60 13.813,61 7.527,62 0.245,63 1.327,64 24.118,65 8.855,66 25.956,67 12.98,68 0.326,69 1.485,70 33.369,71 11.31,72 46.038,73 16.975,74 0.338,75 1.446,76 33.513,77 11.198,78 54.576,79 16.844,80 0.406,81 1.404,82 33.665,83 10.827,84 55.7,85 16.44,86 0.379,87 1.357,88 32.771,89 10.244,90 53.328,91 15.588,92 0.471,93 1.298,94 31.469,95 9.859,96 74.446,97 15.016,98 0.39,99 1.238,100 29.135,101 9.332,102 48.994,103 14.097,104 5,105 38,106 0.248,107 0.569,108 0.752,109 0.868,110 0.888,111 0.888,112 3.373,113 1.014,114 -4.63,115 -4.55,116 -4.28,118 36.8,120 8,124 1,125 2,129 2,133 5,134 1,139 1,145 1,149 1,152 2,154 13,157 3,158 7,160 1,162 2,164 13,167 6,170 3,171 11,175 6,179 3,180 9,184 7,187 1,189 4,192 9,196 6,200 3,202 9,206 5,208 1,210 2,211 9,214 2,215 4,219 1,222 10,225 1,226 3,228 1,230 1,233 8,236 1544,237 19.242,238 19.242,239 19.242,240 19.242,241 19.242,242 17.585,243 19.228,244 12.021,245 19.44,246 14.854,247 14.854,248 14.854,249 14.854,250 14.854,251 12.382,252 18.609,253 5.78,254 15.18,255 4.329,256 2.387,257 1.282,258 0.575,259 0.456,260 0.456,261 4.058,265 1,266 1,267 820,268 3.808,270 188.102,271 107.741,277 2.515,278 23.863,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 60.5,289 386,290 4.141,291 3.789,292 6.471,293 3.986,294 3.027,295 3.479,296 1.943,297 10.007,298 2.899,299 3.931,300 2.995,301 5.485,302 3.609,303 2.622,304 3.458,305 0.765,306 7.394,307 2.589,308 3.92,309 2.764,310 5.352,311 3.494,312 2.542,313 3.277,314 0.736,315 6.997,316 2.418,317 3.469,318 2.734,319 4.988,320 3.142,321 2.165,322 2.611,323 0.079,324 5.713,325 2.109,326 3.063,327 2.435,328 4.761,329 2.821,330 1.824,331 2.148,333 5.134,334 1.812,335 2.871,336 1.899,337 4.139,338 2.805,339 1.799,340 1.917,342 3.875,343 1.802,344 2.816,345 1.641,346 3.775,347 2.46,348 1.47,349 1.872,351 3.318,352 1.453,353 2.66,354 1.522,355 3.585,356 2.403,357 1.408,358 1.689,360 3.021,361 1.4,362 2.5,363 1.355,364 3.469,365 2.192,366 1.208,367 1.5,369 2.674,370 1.187,371 2.389,372 1.151,373 3.247,374 2,375 1,376 1.364,378 2.136,379 1,380 2.136,381 1,382 3.165,383 1.844,384 0.859,385 0.927,387 1.879,388 0.844,389 2.118,390 0.892,391 3.089,392 1.636,393 0.639,394 0.919,395 1.467,396 0.633,397 1.929,398 0.618,399 3,400 1.591,401 0.618,402 0.847,403 1.372,404 0.6,405 1.38,406 0.546,407 2.672,408 1.231,409 0.247,410 0.268,411 0.55,412 0.243,413 1.067,414 0.229,415 2.483,416 0.846,417 -0.152,418 -0.174,419 -0.367,420 -0.151,421 13.167,422 0.47,423 0.452,424 0.016,425 29.25,426 1.045,427 12.5,428 0.446,429 16.75,430 0.598,431 27.263,432 0.974,433 31.833,434 0.558,435 19.354,436 0.691,437 5.491,438 0.196,439 8.23,440 0.294,441 0.051,443 0.22,447 0.68,448 1.196,449 0.894,450 1.174,451 0.673,452 1.086,453 0.673,454 1.24,455 1.014,456 1.264,457 0.632,458 1.201,459 0.968,460 0.97,461 1.018,462 1.047,463 0.985,464 1.044,465 1.015,466 0.993,467 1.047,468 1.077,469 1.111,470 1.073,471 1.026,472 0.927,473 0.983,474 0.991,475 1.08,476 0.988,477 1.205,478 0.923,479 1.028,480 0.978,481 1.239,482 0.982,483 1.12,484 0.944,485 1.04,486 0.981,487 1.186,488 1.004,489 1.073,490 0.824,491 0.991,492 0.904,493 1.237,494 0.938,495 4,496 0.112,497 2.222,498 1.451,499 0.846,500 0.445,501 0.445,502 0.219,503 0.179,504 0.19,505 11870,506 30030,507 2.076,508 50.9,509 6,510 11,513 2,514 4,515 6,517 1.705,518 2,519 3.716,520 0.247,521 1,522 1,525 85.745,526 1.504,527 3.446,528 4.551,529 5.258,530 5.377,531 5.377,532 3.213,533 4.522,534 4.775,535 3.957,536 1495.68,537 8.276,538 21914.6,540 1,541 1,542 332.475,543 1.095,544 4.765,545 0.133,546 0.004,547 0.058,548 0.044,549 0.028,550 0.015,551 0.015,552 0.008,553 0.007,554 0.007,555 0.32,556 0.17,557 0.88,558 0.444,559 146.16,560 0.12,561 0.123,562 0.047,563 0.02,564 0.016,565 0.013,566 0.119,567 -0.067,568 -0.067,569 -0.159,570 0.049,571 -0.148,572 -0.083,573 0.003,574 -0.056,575 -0.025,576 -0.064,577 -0.033,578 -0.089,579 -0.043,580 -0.08,581 -0.065,582 -0.066,583 -0.07,584 -0.026,586 -0.004,587 -0.004,588 -0.025,590 -0.117,591 0.006,592 -0.037,593 -0.002,594 -0.098,595 -0.004,596 -0.016,597 -0.021,598 -0.048,599 -0.002,600 0.029,601 -0.025,602 -0.06,603 0.116,604 -0.007,605 0.075,606 -0.109,607 0.043,608 1.856,609 5.198,610 0.571,611 35.031,612 0.996,613 1.138,614 3.403,615 11.578,616 0.633,617 3.434,618 3.664,619 3.85,620 4.025,621 4.007,622 3.932,623 3.97,624 4.007,625 4.007,626 4.111,627 8.235,628 0.594,629 383.55,630 3.434,631 4.92,632 5.72,633 6.544,634 7.358,635 8.187,636 9.008,637 9.841,638 10.666,639 11.501,640 8.8,644 1,645 1,647 3,651 5,652 3,653 1,656 2,658 11,670 57,671 13,672 1,673 30,675 59,676 21,677 7,678 1,679 5,681 3,682 3,688 3,691 10,693 10,694 11,696 2,698 1,699 2,701 1,704 1,707 29,708 6,709 2,710 7,714 5,717 1,718 2,719 1,730 2,731 1,738 1,741 2,746 1,748 3,756 28,759 1,760 9,764 2,765 1,773 3.5,774 1,776 1,779 14,780 9.667,781 6.389,782 3.718,785 2.007,786 1.288,787 0.916,788 8.042,789 8.975,790 3.651,791 4.073,792 4.479,793 4.869,794 5.016,795 4.877,796 5.013,797 5.179,798 5.303,799 5.542,800 1,801 33,802 10.397,803 4.304,804 7.702,805 20.212,806 16.474,807 2.202,808 61.667,811 1,812 317.82,813 98.934,814 69.531,816 67.828,819 98.934,820 385.648,821 69.531,823 25.506,824 109.017,825 79.716,826 22.054,828 317.82,830 317.82,831 168.465,832 67.828,835 249.521,836 95.772,837 42.683,839 42.047,840 55.271,841 68.819,843 317.82,844 137.36,845 98.934,848 317.82,849 32.6,850 69.458,851 16.54,852 117.695,853 317.82,854 137.36,855 98.934,857 0.557,858 0.313,859 0.167,860 0.077,861 15,862 6,863 0.186,864 11,866 1,867 4.298,868 212.514,870 16,871 130.606,874 20.537,875 10.965,876 6.735,878 120.819,879 9.956,880 11.435,881 2.482,884 1.869,886 59.224,887 554.113,888 37.5,890 12.198,891 3.85,893 0.221,895 56.767,896 64.893,897 0.258,898 0.591,899 0.78,900 0.901,901 0.922,902 0.922,903 4.842,904 1.408,905 5.638,906 3.318,907 4.344,908 4.758,909 2.241,910 6.326,911 4.299,912 5.956,913 1.208,914 7.114,915 3.021,916 3.611,917 4.06,918 1.668,919 6.986,920 3.494,921 7.184,922 1,923 8.692,924 2.674,925 5.808,926 6.671,927 3.026,928 10.069,929 5.702,930 8.446,931 0.859,932 10.337,933 2.136,934 5.994,935 6.868,936 3.138,937 11.687,938 5.799,939 9.742,940 0.639,941 12.029,942 1.879,943 7.553,944 8.848,945 4.15,946 14.233,947 7.37,948 11.062,949 0.618,950 13.756,951 1.467,952 8.188,953 9.472,954 4.549,955 16.249,956 7.919,957 12.4,958 0.247,959 15.508,960 1.372,961 9.473,962 11.157,963 5.395,964 18.625,965 9.203,966 3.027,967 -0.152,968 17.281,969 0.55,970 10.335,971 12.007,972 5.925,973 20.807,974 9.989,975 2.622,976 10.007,977 19.069,978 -0.367,979 11.5,980 13.534,981 6.684,982 23.13,983 11.139,984 2.542,985 7.394,986 20.871,987 3.479,988 12.476,989 14.513,990 7.279,991 25.381,992 12.049,993 2.165,994 6.997,995 22.684,996 3.458,997 13.592,998 15.946,999 7.993,1000 27.687,1001 13.138,1002 1.824,1003 5.713,1004 24.506,1005 3.277,1006 14.625,1007 17.006,1008 8.621,1009 29.967,1010 14.114,1011 1.799,1012 5.134,1013 26.335,1014 2.611,1015 15.722,1016 18.38,1017 9.312,1018 32.27,1019 15.177,1020 1.47,1021 3.875,1022 28.17,1023 2.148,1024 16.785,1025 19.491,1026 9.957,1027 34.563,1028 16.188,1029 11368,1030 18226,1031 20.455,1032 36.074,1033 43.651,1034 43.344,1035 43.464,1036 42.898,1037 42.853,1038 52.55,1039 7.045,1040 111.073,1041 41.978,1042 5.121,1043 5.789,1044 6.299,1045 5.01,1046 5.027,1047 6.479,1048 3.352,1049 16.517,1050 4.899,1051 9.714,1052 1.455,1053 1.445,1054 1.449,1055 1.43,1056 1.428,1057 1.752,1058 0.235,1059 3.702,1060 1.399,1061 3.97,1062 4.017,1063 3.886,1064 3.881,1065 7.427,1066 3.875,1067 3.887,1068 3.939,1069 3.809,1070 3.763,1071 6.451,1072 3.767,1073 3.846,1074 3.918,1075 3.79,1076 3.639,1077 5.257,1078 3.645,1079 3.648,1080 3.723,1081 3.504,1082 3.446,1083 4.748,1084 3.46,1085 3.548,1086 3.591,1087 3.434,1088 3.382,1089 4.393,1090 3.391,1091 3.325,1092 3.415,1093 3.135,1094 3.098,1095 4.138,1096 3.106,1097 3.131,1098 3.185,1099 2.997,1100 2.993,1101 3.95,1102 2.982,1103 2.955,1104 3.061,1105 2.736,1106 2.735,1107 3.785,1108 2.715,1109 0.138,1110 0.126,1111 0.216,1112 0.133,1113 0.101,1114 4.141,1115 0.116,1116 3.789,1117 0.065,1118 6.471,1119 0.334,1120 3.986,1121 0.097,1122 3.027,1123 3.479,1124 1.943,1125 10.007,1126 2.899,1127 1.926,1128 1.897,1129 2.059,1130 2.014,1131 1.379,1132 2.031,1133 1.788,1134 1.73,1135 2.021,1136 1.954,1137 1.257,1138 1.978,1139 1.707,1140 1.66,1141 1.9,1142 1.851,1143 1.179,1144 1.869,1145 1.559,1146 1.503,1147 1.789,1148 1.767,1149 1.095,1150 1.773,1151 1.476,1152 1.422,1153 1.717,1154 1.67,1155 0.905,1156 1.684,1157 1.321,1158 1.263,1159 1.54,1160 1.617,1161 0.781,1162 1.562,1163 1.116,1164 1.03,1165 1.391,1166 1.541,1167 0.611,1168 1.505,1169 1.056,1170 0.924,1171 1.242,1172 1.325,1173 0.358,1174 1.341,1175 4.111,1177 5.361,1178 3.045,1179 6.777,1180 5.283,1181 8.269,1182 7.248,1183 9.806,1189 10.26,1190 7.846,1194 -0.414,1195 1.963,1199 33.858,1200 85.745,1201 196.411,1202 259.381,1203 299.72,1204 306.475,1205 306.475,1206 58.813,1207 6.969,1208 95,1209 95,1210 16,1211 12.073,1212 3.807,1213 3.087,1214 50,1215 134,1216 130,1217 0.17,1218 211.502,1219 367.08,1220 507.824,1221 11442,1223 19.606,1224 0.7,1225 0.579,1226 19.606,1227 16.204,1228 13.72,1229 0.457,1230 0.338,1231 10.027,1232 13.21,1233 9.868,1234 8.184,1235 13.72,1236 10.143,1237 11.543,1238 0.304,1239 0.193,1240 11.543,1241 7.327,1242 9.194,1243 0.2,1244 0.112,1245 9.194,1246 5.156,1247 7.322,1248 0.133,1249 0.066,1250 7.322,1251 3.634,1252 4.953,1253 0.092,1254 0.042,1255 4.953,1256 2.269,1257 0.28,1258 85.922,1259 0.221,1260 27.926,1261 0.432,1262 136,1263 378.799,1264 149.449,1265 366.107,1266 491.86,1267 342,1268 152,1269 357.372,1270 165.313,1271 356.314,1272 507.47,1273 336,1274 4.886}
{0 CHEMBL182117,1 1.361,2 14.393,3 2.933,4 8.603,5 107.78,6 6.733,7 0.207,8 4.124,9 4.229,10 3.563,11 3.596,12 5.208,13 3.567,14 4.678,15 4.833,16 3.853,17 3.96,18 5.784,19 3.894,20 4.995,21 5.221,22 3.832,23 4.061,24 6.012,25 3.947,26 4.965,27 5.215,28 3.694,29 4.007,30 5.875,31 3.872,32 4.899,33 5.147,34 3.715,35 3.963,36 5.872,37 3.839,38 4.89,39 5.123,40 3.73,41 3.946,42 5.89,43 3.836,44 4.904,45 5.145,46 3.663,47 3.911,48 5.946,49 3.788,50 4.861,51 5.123,52 3.56,53 3.832,54 5.801,55 3.702,56 0.076,57 0.725,58 13.522,59 6.08,60 20.82,61 7.687,62 0.299,63 1.149,64 24.573,65 9.689,66 60.656,67 12.768,68 0.707,69 1.402,70 35.378,71 11.944,72 96.761,73 16.56,74 0.504,75 1.352,76 34.185,77 11.608,78 76.885,79 16.36,80 0.503,81 1.28,82 31.878,83 11.008,84 77.397,85 15.53,86 0.542,87 1.256,88 31.764,89 10.699,90 79.791,91 14.897,92 0.57,93 1.245,94 32.426,95 10.615,96 97.965,97 14.913,98 0.634,99 1.16,100 31.432,101 9.93,102 85.017,103 14.119,104 25,105 36,106 0.226,107 0.57,108 0.778,109 0.879,110 0.91,111 0.91,112 3.373,113 1.01,114 -3.12,115 -3.11,116 -2.99,118 37.9,120 5,121 1,124 2,125 3,129 4,133 5,135 1,145 1,150 1,153 1,154 12,155 1,158 5,160 1,162 3,164 11,165 1,167 6,168 2,170 3,171 9,172 1,175 4,179 3,180 6,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 5,202 8,203 1,206 3,209 1,210 4,211 6,212 1,215 5,217 1,219 3,222 5,223 1,226 5,230 3,233 6,236 1592,237 18.794,238 18.794,239 18.794,240 18.794,241 18.794,242 17.422,243 20.141,244 11.822,245 19.109,246 14.337,247 14.337,248 14.337,249 14.337,250 14.337,251 12.331,252 19.93,253 5.696,254 14.893,255 4.497,256 2.426,257 1.17,258 0.565,259 0.379,260 0.379,261 4.042,265 1,266 1,267 820,268 4.359,270 97.215,271 111.431,277 2.635,278 36.918,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 62,289 403,290 4.057,291 3.596,292 6.471,293 3.986,294 3.027,295 3.446,296 2.341,297 10.007,298 2.9,299 3.902,300 3.358,301 5.364,302 3.497,303 2.557,304 3.1,305 1.151,306 7.027,307 2.399,308 3.551,309 2.983,310 5.059,311 3.256,312 2.298,313 2.711,314 0.86,315 6.067,316 2.223,317 3.484,318 2.687,319 4.869,320 3.241,321 2.236,322 2.564,323 0.765,324 5.263,325 2.19,326 3.177,327 2.329,328 4.659,329 2.815,330 1.84,331 2.236,333 5.184,334 1.805,335 2.959,336 2.167,337 4.14,338 2.762,339 1.808,340 2.097,342 3.879,343 1.697,344 2.84,345 1.803,346 3.761,347 2.458,348 1.491,349 1.862,351 3.31,352 1.434,353 2.537,354 1.696,355 3.633,356 2.432,357 1.46,358 1.517,360 3.137,361 1.411,362 2.5,363 1.47,364 3.309,365 2.037,366 1.075,367 1.5,369 2.337,370 1.024,371 2.254,372 1.227,373 3.247,374 2,375 1,376 1.181,378 2.136,379 1,380 2.151,381 1.087,382 3.238,383 1.718,384 0.798,385 0.98,387 1.83,388 0.725,389 1.645,390 1,391 2.858,392 1.528,393 0.563,394 0.586,395 1.204,396 0.536,397 1.577,398 0.803,399 2.719,400 1.267,401 0.364,402 0.421,403 0.8,404 0.327,405 1.145,406 0.579,407 2.267,408 0.919,409 -0.049,410 -0.055,411 -0.106,412 -0.047,413 0.721,414 0.274,415 2.098,416 0.513,417 -0.439,418 -0.456,419 -0.973,420 -0.41,421 13,422 0.464,423 0.527,424 0.019,425 26.5,426 0.946,427 10,428 0.357,429 16.5,430 0.589,431 27.733,432 0.99,433 33.2,434 0.572,435 19.848,436 0.709,437 5.316,438 0.19,439 8.243,440 0.294,441 0.103,443 0.231,447 0.906,448 1.239,449 0.931,450 1.218,451 0.892,452 1.099,453 0.925,454 1.325,455 1.077,456 1.318,457 0.673,458 1.243,459 1.006,460 1.022,461 1.058,462 1.028,463 0.95,464 1.051,465 0.976,466 0.978,467 1.006,468 0.982,469 0.829,470 0.998,471 0.825,472 0.981,473 0.911,474 0.982,475 0.814,476 0.968,477 1.006,478 1.02,479 1.003,480 1.018,481 1.006,482 1.011,483 1.036,484 1.036,485 1.036,486 1.036,487 0.989,488 1.036,489 1.056,490 0.815,491 0.953,492 0.818,493 0.91,494 0.857,495 4.5,496 0.177,497 2.444,498 1.229,499 0.881,500 0.615,501 0.412,502 0.278,503 0.187,504 0.158,505 11046,506 31754,507 1.976,508 51.7,509 8,510 16,513 3,514 2,516 1,517 1.705,518 1.867,519 3.769,520 0.882,521 1,522 1,525 78.939,526 1.361,527 3.432,528 4.688,529 5.293,530 5.479,531 5.479,532 3.258,533 4.45,534 4.771,535 4.004,536 1513.7,537 8.274,538 22456,540 1,541 1,542 339.763,543 1.287,544 4.745,545 0.155,546 0.007,547 0.068,548 0.037,549 0.03,550 0.02,551 0.014,552 0.01,553 0.007,554 0.006,555 0.356,556 0.33,557 0.88,558 1.946,559 146.782,560 -0.084,561 0.02,562 0.001,563 0.025,564 -0.113,565 0.03,566 -0.008,567 -0.184,568 -0.121,569 -0.188,570 0.063,571 -0.18,572 0.001,573 -0.029,574 -0.073,575 -0.038,576 -0.038,577 -0.066,578 -0.088,579 -0.008,580 -0.04,581 -0.006,582 -0.06,583 -0.012,584 0.022,585 -0.001,586 0.047,587 0.004,588 0.008,589 0.027,590 -0.028,591 -0.035,592 -0.022,593 -0.034,594 -0.056,595 -0.028,596 -0.034,597 -0.073,598 -0.049,599 -0.072,600 0.002,601 -0.065,602 -0.041,603 0.11,604 0.042,605 0.111,606 -0.044,607 0.096,608 2.429,609 4.133,610 0.393,611 37.837,612 1.004,613 1.129,614 1.886,615 3.558,616 0.623,617 3.401,618 3.611,619 3.738,620 3.871,621 3.932,622 3.85,623 3.871,624 3.892,625 3.892,626 3.932,627 8.455,628 0.589,629 390.52,630 3.401,631 4.875,632 5.652,633 6.463,634 7.262,635 8.081,636 8.892,637 9.717,638 10.537,639 11.367,651 5,656 1,658 6,668 1,670 58,671 9,672 1,673 29,675 59,676 22,677 6,678 1,679 5,681 2,682 2,688 2,689 1,691 8,693 11,694 11,695 1,696 3,698 1,699 4,701 1,704 1,707 30,708 6,709 3,710 6,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,756 28,759 3,760 7,762 2,764 4,773 10.3,774 2,775 1,776 1,777 1,778 1,779 15,780 9.433,781 6.472,782 3.475,785 1.861,786 1.276,787 0.845,788 10.114,789 8.607,790 3.584,791 3.942,792 4.23,793 4.55,794 4.875,795 4.728,796 4.858,797 5.004,798 5.166,799 5.326,800 0.9,801 33,802 10.43,803 4.318,804 7.97,805 19.764,806 15.795,807 2.47,808 69.167,811 1,812 317.82,813 113.297,816 175.195,819 113.297,820 493.014,823 21.857,824 170.653,825 79.738,826 16.243,828 317.82,830 317.82,831 113.297,832 175.195,835 306.049,836 90.599,837 96.367,839 21.857,840 53.535,841 37.905,843 317.82,844 175.195,845 113.297,848 317.82,849 28.011,850 85.286,852 175.195,853 317.82,854 175.195,855 113.297,857 0.554,858 0.294,859 0.147,860 0.076,861 12,862 6,863 0.203,864 12,866 1,867 4.211,868 203.169,870 11,871 130.606,874 22.471,875 12.603,876 8.83,878 175.195,879 9.301,884 0.703,886 128.05,887 606.311,888 35,890 10.465,891 7.476,893 -0.763,895 58.218,896 65.484,897 0.232,898 0.586,899 0.8,900 0.904,901 0.935,902 0.935,903 4.775,904 1.46,905 5.572,906 3.31,907 4.29,908 4.625,909 2.699,910 6.236,911 4.212,912 5.876,913 1.075,914 7.04,915 3.137,916 3.611,917 3.922,918 2.243,919 6.899,920 3.464,921 7.09,922 1,923 8.611,924 2.337,925 5.733,926 6.422,927 3.76,928 9.953,929 5.577,930 8.33,931 0.798,932 10.249,933 2.136,934 5.916,935 6.481,936 4.112,937 11.585,938 5.676,939 9.601,940 0.563,941 11.936,942 1.83,943 7.459,944 8.482,945 5.233,946 14.134,947 7.216,948 10.893,949 0.364,950 13.659,951 1.204,952 8.082,953 8.919,954 5.889,955 16.172,956 7.755,957 12.201,958 -0.049,959 15.411,960 0.8,961 9.367,962 10.685,963 6.856,964 18.557,965 9.033,966 3.027,967 -0.439,968 17.186,969 -0.106,970 10.223,971 11.343,972 7.625,973 20.757,974 9.814,975 2.557,976 10.007,977 18.978,978 -0.973,979 11.393,980 12.971,981 8.527,982 23.088,983 10.966,984 2.298,985 7.027,986 20.786,987 3.446,988 12.371,989 13.775,990 9.342,991 25.351,992 11.88,993 2.236,994 6.067,995 22.605,996 3.1,997 13.493,998 15.309,999 10.216,1000 27.664,1001 12.976,1002 1.84,1003 5.263,1004 24.434,1005 2.711,1006 14.532,1007 16.215,1008 11.051,1009 29.95,1010 13.959,1011 1.808,1012 5.184,1013 26.27,1014 2.564,1015 15.637,1016 17.682,1017 11.912,1018 32.257,1019 15.032,1020 1.491,1021 3.879,1022 28.113,1023 2.236,1024 16.707,1025 18.664,1026 12.755,1027 34.553,1028 16.052,1029 11108,1030 18900,1031 19.068,1032 36.148,1033 41.885,1034 42.157,1035 42.103,1036 41.067,1037 41.037,1038 48.401,1039 10.233,1040 104.361,1041 39.345,1042 4.972,1043 5.596,1044 6.334,1045 5.043,1046 5.027,1047 6.446,1048 3.925,1049 16.516,1050 4.9,1051 14.502,1052 1.444,1053 1.454,1054 1.452,1055 1.416,1056 1.415,1057 1.669,1058 0.353,1059 3.599,1060 1.357,1061 3.945,1062 3.975,1063 3.856,1064 3.834,1065 7.474,1066 3.834,1067 3.875,1068 3.902,1069 3.795,1070 3.781,1071 6.453,1072 3.779,1073 3.752,1074 3.799,1075 3.624,1076 3.621,1077 6.447,1078 3.613,1079 3.614,1080 3.652,1081 3.501,1082 3.467,1083 6.351,1084 3.466,1085 3.517,1086 3.551,1087 3.405,1088 3.338,1089 4.857,1090 3.345,1091 3.232,1092 3.278,1093 3.079,1094 3.005,1095 4.64,1096 3.014,1097 3.166,1098 3.214,1099 3.025,1100 2.965,1101 4.377,1102 2.97,1103 2.907,1104 2.971,1105 2.745,1106 2.735,1107 4.321,1108 2.715,1109 0.14,1110 0.124,1111 0.223,1112 0.137,1113 0.104,1114 4.057,1115 0.119,1116 3.596,1117 0.081,1118 6.471,1119 0.345,1120 3.986,1121 0.1,1122 3.027,1123 3.446,1124 2.341,1125 10.007,1126 2.9,1127 1.875,1128 1.851,1129 2.026,1130 1.985,1131 1.349,1132 1.993,1133 1.824,1134 1.781,1135 2.002,1136 1.954,1137 1.28,1138 1.977,1139 1.719,1140 1.675,1141 1.922,1142 1.875,1143 1.071,1144 1.891,1145 1.598,1146 1.556,1147 1.807,1148 1.785,1149 1.003,1150 1.791,1151 1.433,1152 1.391,1153 1.67,1154 1.658,1155 0.907,1156 1.657,1157 1.305,1158 1.266,1159 1.561,1160 1.582,1161 0.802,1162 1.571,1163 1.141,1164 1.09,1165 1.427,1166 1.397,1167 0.632,1168 1.402,1169 0.926,1170 0.88,1171 1.221,1172 1.202,1173 0.359,1174 1.205,1175 4.078,1177 5.313,1178 2.398,1179 6.711,1180 4.727,1181 8.185,1182 6.783,1183 9.706,1189 28.814,1190 3.636,1192 11.143,1194 -1.609,1199 34.191,1200 78.939,1201 199.056,1202 271.889,1203 307.008,1204 317.763,1205 317.763,1206 87.529,1207 6.746,1208 96.22,1209 96.22,1210 11,1211 11.943,1212 3.322,1213 2.807,1214 62.307,1215 137,1216 147,1217 0.209,1218 213.428,1219 390.44,1220 512.525,1221 8321,1223 20.192,1224 0.721,1225 0.572,1226 20.192,1227 16.022,1228 13.559,1229 0.468,1230 0.337,1231 9.633,1232 13.018,1233 9.487,1234 7.834,1235 13.559,1236 9.767,1237 11.481,1238 0.319,1239 0.193,1240 11.481,1241 6.952,1242 8.471,1243 0.207,1244 0.113,1245 8.471,1246 4.649,1247 6.35,1248 0.135,1249 0.065,1250 6.35,1251 3.067,1252 4.686,1253 0.094,1254 0.038,1255 4.686,1256 1.889,1257 0.345,1258 85.477,1259 0.229,1260 27.999,1261 0.529,1262 130,1263 419.656,1264 145.722,1265 386.408,1266 496.11,1267 360,1268 142,1269 325.212,1270 156.174,1271 322.664,1272 464.19,1273 304,1274 6.533}
{0 CHEMBL183193,1 1.47,2 14.552,3 3.598,4 12.942,5 112.585,6 7.327,7 0.2,8 4.129,9 4.228,10 3.641,11 3.619,12 5.227,13 3.59,14 4.684,15 4.832,16 3.968,17 3.992,18 5.816,19 3.927,20 5.003,21 5.22,22 3.958,23 4.101,24 6.049,25 3.987,26 4.973,27 5.213,28 3.854,29 4.039,30 5.925,31 3.909,32 4.931,33 5.176,34 3.794,35 4.009,36 5.887,37 3.879,38 4.949,39 5.186,40 3.812,41 4.005,42 5.923,43 3.882,44 4.925,45 5.162,46 3.826,47 3.943,48 6.021,49 3.824,50 4.85,51 5.097,52 3.652,53 3.851,54 5.836,55 3.726,56 0.109,57 0.715,58 12.831,59 6.064,60 23.168,61 7.462,62 0.359,63 1.134,64 24.484,65 9.917,66 63.933,67 12.626,68 0.821,69 1.385,70 38.751,71 12.645,72 105.352,73 16.786,74 0.668,75 1.347,76 37.717,77 12.236,78 87.217,79 16.608,80 0.605,81 1.312,82 34.895,83 11.851,84 82.37,85 16.261,86 0.68,87 1.304,88 36.637,89 11.857,90 88.39,91 16.061,92 0.744,93 1.245,94 36.435,95 11.326,96 115.778,97 15.343,98 0.753,99 1.13,100 34.413,101 10.346,102 97.805,103 13.994,104 34,105 38,106 0.244,107 0.593,108 0.814,109 0.921,110 0.933,111 0.933,112 3.406,113 1.024,114 -3.6,115 -3.57,116 -3.4,118 37.9,120 5,121 1,124 2,125 3,129 4,133 4,135 2,145 1,150 1,153 1,154 10,155 1,158 5,160 1,162 3,164 12,165 1,167 5,168 2,170 3,171 9,172 1,175 5,179 3,180 7,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 4,202 7,203 1,206 3,209 1,210 5,211 6,212 1,215 5,217 1,219 3,222 6,223 1,226 4,230 3,233 5,236 1732,237 19.242,238 19.242,239 19.242,240 19.242,241 19.242,242 17.845,243 20.175,244 11.941,245 19.693,246 14.82,247 14.82,248 14.82,249 14.82,250 14.82,251 12.724,252 18.953,253 5.745,254 15.642,255 4.388,256 2.286,257 0.957,258 0.31,259 0.241,260 0.241,261 4.074,262 1,265 1,266 1,267 857,268 4.416,270 100.938,271 115.297,277 2.709,278 40.559,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.333,289 422,290 4.056,291 3.597,292 6.471,293 3.986,294 3.027,295 3.648,296 2.341,297 10.007,298 2.9,299 4.04,300 3.351,301 5.512,302 3.592,303 2.666,304 3.093,305 1.151,306 7.462,307 2.448,308 3.559,309 3.075,310 5.081,311 3.29,312 2.349,313 2.722,314 0.86,315 6.148,316 2.224,317 3.505,318 2.859,319 4.89,320 3.241,321 2.236,322 2.617,323 0.765,324 5.363,325 2.202,326 3.283,327 2.538,328 4.716,329 2.85,330 1.964,331 2.484,333 5.184,334 1.805,335 3.179,336 2.313,337 4.659,338 2.809,339 1.826,340 2.244,342 5.155,343 1.711,344 2.883,345 2.176,346 4.14,347 2.737,348 1.803,349 1.886,351 3.879,352 1.613,353 2.669,354 1.805,355 3.761,356 2.435,357 1.462,358 1.743,360 3.309,361 1.415,362 2.571,363 1.557,364 3.489,365 2.179,366 1.209,367 1.556,369 2.627,370 1.147,371 2.181,372 1.428,373 3.312,374 2.037,375 1.075,376 1.096,378 2.337,379 1.024,380 2.102,381 1.17,382 3.279,383 1.72,384 0.801,385 0.982,387 1.858,388 0.727,389 1.754,390 1.033,391 2.896,392 1.528,393 0.564,394 0.616,395 1.211,396 0.536,397 1.582,398 0.805,399 2.745,400 1.268,401 0.366,402 0.425,403 0.812,404 0.328,405 1.127,406 0.579,407 2.296,408 0.919,409 -0.049,410 -0.055,411 -0.107,412 -0.047,413 0.93,414 0.268,415 2.142,416 0.518,417 -0.394,418 -0.453,419 -0.873,420 -0.254,421 13.714,422 0.473,423 0.634,424 0.022,425 27.25,426 0.94,427 10,428 0.345,429 17.25,430 0.595,431 30.076,432 1.037,433 34.286,434 0.591,435 20.49,436 0.707,437 5.388,438 0.186,439 8.564,440 0.295,441 0.149,443 0.255,447 0.875,448 1.235,449 0.754,450 1.119,451 0.875,452 1.043,453 0.898,454 1.319,455 0.871,456 1.209,457 0.656,458 1.178,459 1.011,460 1.02,461 0.995,462 0.999,463 0.957,464 1.039,465 0.908,466 0.997,467 0.867,468 0.978,469 0.794,470 0.997,471 0.786,472 1.002,473 0.79,474 0.959,475 0.716,476 0.974,477 0.946,478 0.996,479 0.909,480 0.978,481 0.913,482 0.991,483 0.947,484 1.01,485 0.868,486 0.987,487 0.986,488 0.988,489 1.116,490 0.821,491 0.944,492 0.822,493 1.055,494 0.877,495 5.5,496 0.207,497 2.667,498 1.542,499 1.072,500 0.615,501 0.494,502 0.309,503 0.187,504 0.178,505 12065,506 39195,507 1.957,508 50,509 8,510 15,513 3,514 2,516 1,517 1.714,518 1.832,519 3.786,520 0.891,522 1,525 85.264,526 1.47,527 3.572,528 4.901,529 5.548,530 5.617,531 5.617,532 3.25,533 4.72,534 4.822,535 4.035,536 1638.26,537 8.376,538 24985.9,540 1,541 1,542 339.763,543 1.384,544 4.785,545 0.183,546 0.007,547 0.07,548 0.044,549 0.035,550 0.02,551 0.016,552 0.011,553 0.007,554 0.007,555 0.4,556 0.33,557 0.88,558 1.945,559 153.765,560 -0.088,561 0.021,562 -0.006,563 0.029,564 -0.113,565 0.031,566 -0.016,567 -0.179,568 -0.06,569 -0.142,570 0.071,571 -0.151,572 -0.023,573 -0.026,574 -0.066,575 -0.022,576 -0.051,577 -0.06,578 -0.037,579 -0.02,580 0.01,581 -0.018,582 -0.027,583 -0.013,584 0.018,585 -0.017,586 0.032,587 -0.003,588 0.031,589 0.016,590 -0.031,591 -0.022,592 -0.022,593 -0.022,594 -0.059,595 -0.013,596 0.02,597 -0.052,598 0.034,599 -0.043,600 0.027,601 -0.021,602 -0.082,603 0.113,604 -0.014,605 0.105,606 -0.094,607 0.077,608 2.462,609 4.163,610 0.379,611 39.677,612 1.009,613 1.128,614 2.369,615 5.613,616 0.638,617 3.434,618 3.664,619 3.784,620 3.932,621 3.989,622 3.932,623 3.932,624 3.932,625 3.951,626 3.989,627 8.655,628 0.604,629 424.96,630 3.434,631 4.92,632 5.7,633 6.521,634 7.322,635 8.149,636 8.962,637 9.794,638 10.615,639 11.45,651 4,656 2,658 6,668 1,669 1,670 58,671 9,672 1,673 30,675 59,676 22,677 6,678 2,679 4,681 2,682 2,683 1,688 2,689 1,691 8,693 11,694 11,695 1,696 3,698 1,699 4,701 1,704 1,707 29,708 6,709 3,710 7,711 1,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,753 1,756 29,759 3,760 7,762 2,764 4,772 1,773 10.3,774 2,775 1,776 1,777 1,778 1,779 15.833,780 9.493,781 6.639,782 3.455,785 1.835,786 1.268,787 0.849,788 10.569,789 8.678,790 3.611,791 3.998,792 4.294,793 4.631,794 4.951,795 4.872,796 4.87,797 5.001,798 5.192,799 5.379,800 0.9,801 35,802 10.789,803 4.486,804 8.015,805 20.325,806 16.272,807 2.515,808 72.944,811 1,812 306.049,813 107.321,815 39.149,816 175.195,819 107.321,820 520.392,823 21.857,824 161.177,825 79.738,826 19.744,828 306.049,829 39.149,830 306.049,831 107.321,832 175.195,833 39.149,835 294.278,836 90.599,837 96.367,839 21.857,840 47.559,841 77.054,843 306.049,844 175.195,845 146.47,848 306.049,849 31.511,850 75.81,852 214.343,853 306.049,854 175.195,855 146.47,857 0.56,858 0.296,859 0.148,860 0.076,861 13,862 7,863 0.203,864 12,866 1,867 4.26,868 214.635,870 11,871 140.881,874 23.744,875 12.908,876 9.215,878 175.195,879 6.977,884 1.159,886 128.05,887 627.713,888 36,890 10.457,891 7.276,893 -0.796,895 58.542,896 65.428,897 0.251,898 0.61,899 0.837,900 0.947,901 0.959,902 0.959,903 4.816,904 1.462,905 5.638,906 3.879,907 4.344,908 4.682,909 2.699,910 6.319,911 4.235,912 5.936,913 1.209,914 7.119,915 3.309,916 3.761,917 4.159,918 2.243,919 7.002,920 3.537,921 7.166,922 1.075,923 8.699,924 2.627,925 5.808,926 6.533,927 3.76,928 10.042,929 5.605,930 8.422,931 0.801,932 10.341,933 2.337,934 6.043,935 6.771,936 4.112,937 11.651,938 5.726,939 9.708,940 0.564,941 12.027,942 1.858,943 7.544,944 8.658,945 5.233,946 14.201,947 7.246,948 11.012,949 0.366,950 13.747,951 1.211,952 8.192,953 9.285,954 5.889,955 16.216,956 7.796,957 12.333,958 -0.049,959 15.493,960 0.812,961 9.455,962 10.947,963 6.856,964 18.601,965 9.062,966 3.027,967 -0.394,968 17.26,969 -0.107,970 10.322,971 11.803,972 7.625,973 20.787,974 9.848,975 2.666,976 10.007,977 19.046,978 -0.873,979 11.479,980 13.339,981 8.527,982 23.115,983 10.995,984 2.349,985 7.462,986 20.846,987 3.648,988 12.459,989 14.341,990 9.342,991 25.37,992 11.909,993 2.236,994 6.148,995 22.659,996 3.093,997 13.573,998 15.799,999 10.216,1000 27.68,1001 13.001,1002 1.964,1003 5.363,1004 24.481,1005 2.722,1006 14.61,1007 16.895,1008 11.051,1009 29.962,1010 13.984,1011 1.826,1012 5.184,1013 26.312,1014 2.617,1015 15.708,1016 18.301,1017 11.912,1018 32.266,1019 15.053,1020 1.803,1021 5.155,1022 28.149,1023 2.484,1024 16.774,1025 19.461,1026 12.755,1027 34.56,1028 16.072,1029 12164,1030 22033,1031 19.474,1032 37.006,1033 43.528,1034 44.081,1035 44.037,1036 42.903,1037 42.695,1038 50.224,1039 10.233,1040 110.705,1041 40.161,1042 5.004,1043 5.597,1044 6.334,1045 5.048,1046 5.027,1047 6.648,1048 3.925,1049 16.516,1050 4.9,1051 16.662,1052 1.451,1053 1.469,1054 1.468,1055 1.43,1056 1.423,1057 1.674,1058 0.341,1059 3.69,1060 1.339,1061 3.947,1062 3.976,1063 3.996,1064 3.846,1065 7.474,1066 3.843,1067 3.88,1068 3.901,1069 3.824,1070 3.785,1071 6.453,1072 3.782,1073 3.752,1074 3.794,1075 3.637,1076 3.632,1077 6.447,1078 3.625,1079 3.615,1080 3.653,1081 3.523,1082 3.464,1083 6.351,1084 3.463,1085 3.514,1086 3.554,1087 3.399,1088 3.322,1089 4.978,1090 3.328,1091 3.237,1092 3.278,1093 3.308,1094 3.025,1095 4.639,1096 3.033,1097 3.168,1098 3.214,1099 3.088,1100 2.97,1101 4.543,1102 2.974,1103 2.905,1104 2.968,1105 2.994,1106 2.799,1107 4.396,1108 2.772,1109 0.135,1110 0.12,1111 0.216,1112 0.133,1113 0.101,1114 4.056,1115 0.122,1116 3.597,1117 0.078,1118 6.471,1119 0.334,1120 3.986,1121 0.097,1122 3.027,1123 3.648,1124 2.341,1125 10.007,1126 2.9,1127 1.87,1128 1.852,1129 2.03,1130 1.976,1131 1.394,1132 1.99,1133 1.824,1134 1.78,1135 1.963,1136 1.952,1137 1.175,1138 1.967,1139 1.717,1140 1.678,1141 1.906,1142 1.865,1143 1.077,1144 1.879,1145 1.598,1146 1.555,1147 1.813,1148 1.788,1149 1.024,1150 1.795,1151 1.433,1152 1.387,1153 1.682,1154 1.663,1155 0.976,1156 1.665,1157 1.305,1158 1.267,1159 1.557,1160 1.578,1161 0.795,1162 1.568,1163 1.144,1164 1.096,1165 1.417,1166 1.395,1167 0.589,1168 1.396,1169 0.921,1170 0.876,1171 1.223,1172 1.201,1173 0.362,1174 1.206,1175 4.111,1177 5.361,1178 2.398,1179 6.77,1180 4.727,1181 8.257,1182 6.783,1183 9.791,1186 5.902,1189 28.874,1190 3.539,1192 11.157,1194 -1.602,1199 35.018,1200 85.264,1201 207.194,1202 284.253,1203 321.763,1204 325.763,1205 325.763,1206 95.414,1207 6.843,1208 96.22,1209 96.22,1210 11,1211 12.023,1212 3.322,1213 2.807,1214 65.948,1215 146,1216 157,1217 0.208,1218 221.761,1219 405.65,1220 532.857,1221 9438,1222 1.7,1223 21.062,1224 0.726,1225 0.589,1226 21.562,1227 17.078,1228 13.952,1229 0.465,1230 0.341,1231 9.763,1232 13.103,1233 9.581,1234 7.88,1235 14.241,1236 10.244,1237 12.115,1238 0.319,1239 0.198,1240 12.523,1241 7.521,1242 8.791,1243 0.204,1244 0.115,1245 9.053,1246 4.95,1247 6.696,1248 0.134,1249 0.067,1250 6.965,1251 3.357,1252 4.856,1253 0.092,1254 0.04,1255 5.033,1256 2.094,1257 0.344,1258 91.016,1259 0.227,1260 28.792,1261 0.527,1262 136,1263 453.859,1264 167.241,1265 448.523,1266 567.46,1267 416,1268 149,1269 352.075,1270 172.933,1271 359.212,1272 517.53,1273 338,1274 7.638}
{0 CHEMBL184249,1 1.361,2 14.393,3 2.933,4 8.603,5 107.78,6 6.733,7 0.207,8 4.124,9 4.229,10 3.563,11 3.596,12 5.208,13 3.567,14 4.678,15 4.833,16 3.853,17 3.96,18 5.784,19 3.894,20 4.995,21 5.221,22 3.832,23 4.061,24 6.011,25 3.947,26 4.965,27 5.214,28 3.696,29 4.011,30 5.872,31 3.876,32 4.926,33 5.176,34 3.722,35 3.987,36 5.868,37 3.857,38 4.943,39 5.187,40 3.735,41 3.977,42 5.903,43 3.856,44 4.917,45 5.163,46 3.662,47 3.912,48 5.954,49 3.787,50 4.843,51 5.098,52 3.561,53 3.818,54 5.801,55 3.695,56 0.076,57 0.725,58 13.522,59 6.08,60 20.82,61 7.687,62 0.299,63 1.149,64 24.573,65 9.689,66 60.642,67 12.768,68 0.707,69 1.402,70 35.378,71 11.944,72 96.866,73 16.56,74 0.5,75 1.356,76 34.168,77 11.641,78 77.144,79 16.388,80 0.508,81 1.317,82 32.733,83 11.341,84 76.103,85 16.038,86 0.565,87 1.313,88 33.545,89 11.235,90 79.859,91 15.803,92 0.581,93 1.253,94 32.897,95 10.7,96 101.136,97 15.098,98 0.642,99 1.138,100 30.909,101 9.703,102 88.438,103 13.707,104 25,105 36,106 0.226,107 0.57,108 0.784,109 0.89,110 0.91,111 0.91,112 3.373,113 1.01,114 -3.12,115 -3.11,116 -2.99,118 37.9,120 5,121 1,124 2,125 3,129 4,133 5,135 1,145 1,150 1,153 1,154 12,155 1,158 5,160 1,162 3,164 11,165 1,167 6,168 2,170 3,171 9,172 1,175 4,179 3,180 6,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 5,202 8,203 1,206 3,209 1,210 4,211 6,212 1,215 5,217 1,219 3,222 5,223 1,226 5,230 3,233 6,236 1592,237 18.794,238 18.794,239 18.794,240 18.794,241 18.794,242 17.422,243 18.574,244 11.822,245 19.109,246 14.337,247 14.337,248 14.337,249 14.337,250 14.337,251 12.314,252 17.449,253 5.696,254 14.893,255 4.497,256 2.426,257 1.136,258 0.496,259 0.379,260 0.379,261 4.042,265 1,266 1,267 820,268 4.359,270 97.215,271 111.431,277 2.635,278 36.861,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 62,289 403,290 4.053,291 3.597,292 6.471,293 3.986,294 3.027,295 3.446,296 2.341,297 10.007,298 2.9,299 3.902,300 3.351,301 5.364,302 3.497,303 2.557,304 3.093,305 1.151,306 7.027,307 2.399,308 3.559,309 2.982,310 5.059,311 3.256,312 2.298,313 2.722,314 0.86,315 6.067,316 2.223,317 3.481,318 2.686,319 4.869,320 3.241,321 2.236,322 2.556,323 0.765,324 5.263,325 2.19,326 3.179,327 2.318,328 4.659,329 2.815,330 1.84,331 2.244,333 5.184,334 1.805,335 2.961,336 2.176,337 4.14,338 2.762,339 1.808,340 2.099,342 3.879,343 1.697,344 2.841,345 1.805,346 3.761,347 2.458,348 1.491,349 1.864,351 3.31,352 1.434,353 2.571,354 1.696,355 3.633,356 2.432,357 1.46,358 1.556,360 3.137,361 1.411,362 2.5,363 1.554,364 3.309,365 2.037,366 1.075,367 1.5,369 2.337,370 1.024,371 2.18,372 1.192,373 3.247,374 2,375 1,376 1.096,378 2.136,379 1,380 2.102,381 1.036,382 3.238,383 1.718,384 0.798,385 0.98,387 1.83,388 0.725,389 1.754,390 1,391 2.858,392 1.528,393 0.563,394 0.615,395 1.204,396 0.536,397 1.582,398 0.804,399 2.719,400 1.267,401 0.364,402 0.424,403 0.8,404 0.327,405 1.127,406 0.579,407 2.267,408 0.919,409 -0.049,410 -0.055,411 -0.106,412 -0.047,413 0.721,414 0.268,415 2.098,416 0.513,417 -0.439,418 -0.456,419 -0.973,420 -0.41,421 13,422 0.464,423 0.527,424 0.019,425 26.5,426 0.946,427 10,428 0.357,429 16.5,430 0.589,431 27.84,432 0.994,433 33.2,434 0.572,435 19.741,436 0.705,437 5.316,438 0.19,439 8.243,440 0.294,441 0.103,443 0.231,447 0.906,448 1.239,449 0.931,450 1.218,451 0.892,452 1.099,453 0.925,454 1.325,455 1.077,456 1.318,457 0.672,458 1.243,459 1.006,460 1.022,461 1.058,462 1.028,463 0.949,464 1.051,465 0.977,466 0.992,467 1.017,468 0.997,469 0.82,470 1.013,471 0.804,472 0.998,473 0.921,474 1.001,475 0.722,476 0.988,477 0.95,478 0.991,479 0.969,480 0.991,481 0.9,482 0.985,483 1.019,484 1.005,485 1.008,486 1.004,487 1.051,488 1.004,489 1.126,490 0.818,491 0.987,492 0.82,493 1.058,494 0.866,495 4.5,496 0.177,497 2.444,498 1.229,499 0.881,500 0.615,501 0.412,502 0.278,503 0.187,504 0.158,505 11046,506 31938,507 1.976,508 51.7,509 8,510 16,513 3,514 2,516 1,517 1.705,518 1.867,519 3.769,520 0.882,521 1,522 1,525 78.939,526 1.361,527 3.432,528 4.722,529 5.362,530 5.479,531 5.479,532 3.258,533 4.45,534 4.771,535 4.004,536 1513.7,537 8.274,538 22456,540 1,541 1,542 339.763,543 1.287,544 4.745,545 0.155,546 0.007,547 0.068,548 0.037,549 0.03,550 0.02,551 0.014,552 0.01,553 0.007,554 0.006,555 0.356,556 0.33,557 0.88,558 1.946,559 146.782,560 -0.084,561 0.02,562 0.001,563 0.025,564 -0.113,565 0.03,566 -0.008,567 -0.184,568 -0.121,569 -0.188,570 0.064,571 -0.18,572 0.001,573 -0.029,574 -0.073,575 -0.038,576 -0.037,577 -0.066,578 -0.09,579 -0.019,580 -0.052,581 -0.019,582 -0.051,583 -0.026,584 0.024,585 -0.019,586 0.034,587 -0.014,588 0.034,589 0.009,590 -0.013,591 -0.021,592 0.006,593 -0.018,594 -0.038,595 -0.004,596 -0.027,597 -0.051,598 -0.022,599 -0.048,600 -0.022,601 -0.036,602 -0.062,603 0.111,604 0.016,605 0.109,606 -0.086,607 0.084,608 2.457,609 4.149,610 0.393,611 37.837,612 1.004,613 1.129,614 1.886,615 3.558,616 0.623,617 3.401,618 3.611,619 3.738,620 3.871,621 3.932,622 3.85,623 3.871,624 3.892,625 3.892,626 3.932,627 8.455,628 0.589,629 390.52,630 3.401,631 4.875,632 5.652,633 6.463,634 7.262,635 8.081,636 8.892,637 9.717,638 10.537,639 11.367,651 5,656 1,658 6,668 1,670 58,671 9,672 1,673 29,675 59,676 22,677 6,678 1,679 5,681 2,682 2,688 2,689 1,691 8,693 11,694 11,695 1,696 3,698 1,699 4,701 1,704 1,707 30,708 6,709 3,710 6,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,756 28,759 3,760 7,762 2,764 4,773 10.3,774 2,775 1,776 1,777 1,778 1,779 15,780 9.433,781 6.472,782 3.475,785 1.789,786 1.265,787 0.845,788 10.114,789 8.535,790 3.584,791 3.942,792 4.23,793 4.539,794 4.859,795 4.683,796 4.794,797 4.934,798 5.107,799 5.286,800 0.9,801 33,802 10.429,803 4.315,804 7.97,805 19.764,806 15.795,807 2.47,808 69.167,811 1,812 317.82,813 113.297,816 175.195,819 113.297,820 493.014,823 21.857,824 170.653,825 79.738,826 16.243,828 317.82,830 317.82,831 113.297,832 175.195,835 306.049,836 90.599,837 96.367,839 21.857,840 53.535,841 37.905,843 317.82,844 175.195,845 113.297,848 317.82,849 28.011,850 85.286,852 175.195,853 317.82,854 175.195,855 113.297,857 0.554,858 0.294,859 0.147,860 0.076,861 12,862 6,863 0.203,864 12,866 1,867 4.211,868 203.169,870 11,871 130.606,874 22.471,875 12.603,876 8.83,878 175.195,879 9.31,884 0.705,886 128.05,887 606.311,888 35,890 10.449,891 7.337,893 -0.79,895 58.218,896 65.484,897 0.232,898 0.586,899 0.806,900 0.915,901 0.935,902 0.935,903 4.775,904 1.46,905 5.572,906 3.31,907 4.29,908 4.625,909 2.699,910 6.236,911 4.212,912 5.876,913 1.075,914 7.04,915 3.137,916 3.611,917 3.922,918 2.243,919 6.899,920 3.464,921 7.09,922 1,923 8.611,924 2.337,925 5.733,926 6.422,927 3.76,928 9.953,929 5.577,930 8.33,931 0.798,932 10.249,933 2.136,934 5.916,935 6.481,936 4.112,937 11.585,938 5.676,939 9.601,940 0.563,941 11.936,942 1.83,943 7.459,944 8.481,945 5.233,946 14.134,947 7.216,948 10.893,949 0.364,950 13.659,951 1.204,952 8.082,953 8.917,954 5.889,955 16.172,956 7.755,957 12.201,958 -0.049,959 15.411,960 0.8,961 9.367,962 10.682,963 6.856,964 18.557,965 9.033,966 3.027,967 -0.439,968 17.186,969 -0.106,970 10.223,971 11.34,972 7.625,973 20.757,974 9.814,975 2.557,976 10.007,977 18.978,978 -0.973,979 11.393,980 12.967,981 8.527,982 23.088,983 10.966,984 2.298,985 7.027,986 20.786,987 3.446,988 12.371,989 13.77,990 9.342,991 25.351,992 11.88,993 2.236,994 6.067,995 22.605,996 3.093,997 13.493,998 15.305,999 10.216,1000 27.664,1001 12.976,1002 1.84,1003 5.263,1004 24.434,1005 2.722,1006 14.532,1007 16.21,1008 11.051,1009 29.95,1010 13.959,1011 1.808,1012 5.184,1013 26.27,1014 2.556,1015 15.637,1016 17.678,1017 11.912,1018 32.257,1019 15.032,1020 1.491,1021 3.879,1022 28.113,1023 2.244,1024 16.707,1025 18.659,1026 12.755,1027 34.553,1028 16.052,1029 11108,1030 18956,1031 19.068,1032 36.148,1033 41.951,1034 42.142,1035 42.103,1036 41.067,1037 41.037,1038 48.39,1039 10.233,1040 104.361,1041 39.345,1042 5.001,1043 5.597,1044 6.334,1045 5.043,1046 5.027,1047 6.446,1048 3.925,1049 16.516,1050 4.9,1051 14.502,1052 1.447,1053 1.453,1054 1.452,1055 1.416,1056 1.415,1057 1.669,1058 0.353,1059 3.599,1060 1.357,1061 3.945,1062 3.976,1063 3.855,1064 3.834,1065 7.474,1066 3.833,1067 3.875,1068 3.902,1069 3.794,1070 3.779,1071 6.453,1072 3.777,1073 3.752,1074 3.794,1075 3.637,1076 3.632,1077 6.447,1078 3.625,1079 3.614,1080 3.653,1081 3.497,1082 3.463,1083 6.351,1084 3.462,1085 3.514,1086 3.554,1087 3.393,1088 3.322,1089 4.857,1090 3.328,1091 3.237,1092 3.278,1093 3.089,1094 3.025,1095 4.634,1096 3.033,1097 3.166,1098 3.214,1099 3.025,1100 2.965,1101 4.396,1102 2.97,1103 2.903,1104 2.968,1105 2.744,1106 2.735,1107 4.322,1108 2.715,1109 0.14,1110 0.124,1111 0.223,1112 0.137,1113 0.104,1114 4.053,1115 0.119,1116 3.597,1117 0.081,1118 6.471,1119 0.345,1120 3.986,1121 0.1,1122 3.027,1123 3.446,1124 2.341,1125 10.007,1126 2.9,1127 1.875,1128 1.851,1129 2.03,1130 1.986,1131 1.394,1132 1.995,1133 1.825,1134 1.78,1135 2.001,1136 1.956,1137 1.175,1138 1.978,1139 1.717,1140 1.678,1141 1.908,1142 1.867,1143 1.078,1144 1.88,1145 1.598,1146 1.555,1147 1.815,1148 1.789,1149 1.026,1150 1.796,1151 1.433,1152 1.387,1153 1.682,1154 1.663,1155 0.977,1156 1.665,1157 1.306,1158 1.267,1159 1.558,1160 1.579,1161 0.795,1162 1.569,1163 1.144,1164 1.096,1165 1.417,1166 1.395,1167 0.589,1168 1.396,1169 0.923,1170 0.875,1171 1.224,1172 1.203,1173 0.362,1174 1.207,1175 4.078,1177 5.313,1178 2.398,1179 6.711,1180 4.727,1181 8.185,1182 6.783,1183 9.706,1189 28.818,1190 3.668,1192 11.163,1194 -1.494,1199 34.191,1200 78.939,1201 199.056,1202 273.889,1203 311.008,1204 317.763,1205 317.763,1206 87.194,1207 6.746,1208 96.22,1209 96.22,1210 11,1211 11.943,1212 3.322,1213 2.807,1214 62.307,1215 137,1216 147,1217 0.209,1218 213.428,1219 390.44,1220 512.525,1221 8321,1223 20.192,1224 0.721,1225 0.572,1226 20.192,1227 16.022,1228 13.559,1229 0.468,1230 0.337,1231 9.633,1232 13.018,1233 9.488,1234 7.83,1235 13.559,1236 9.767,1237 11.481,1238 0.319,1239 0.193,1240 11.481,1241 6.94,1242 8.471,1243 0.207,1244 0.114,1245 8.471,1246 4.662,1247 6.35,1248 0.135,1249 0.067,1250 6.35,1251 3.136,1252 4.686,1253 0.094,1254 0.04,1255 4.686,1256 1.977,1257 0.345,1258 85.477,1259 0.229,1260 27.999,1261 0.529,1262 130,1263 419.656,1264 145.722,1265 386.366,1266 496.09,1267 360,1268 142,1269 325.212,1270 156.174,1271 322.564,1272 463.96,1273 304,1274 7.244}
{0 CHEMBL184264,1 1.47,2 14.552,3 3.598,4 12.942,5 112.585,6 7.327,7 0.2,8 4.129,9 4.228,10 3.641,11 3.619,12 5.227,13 3.59,14 4.684,15 4.832,16 3.968,17 3.992,18 5.816,19 3.927,20 5.003,21 5.22,22 3.958,23 4.101,24 6.049,25 3.987,26 4.972,27 5.214,28 3.853,29 4.035,30 5.928,31 3.905,32 4.904,33 5.147,34 3.788,35 3.986,36 5.891,37 3.861,38 4.897,39 5.122,40 3.808,41 3.975,42 5.911,43 3.863,44 4.912,45 5.144,46 3.827,47 3.942,48 6.013,49 3.825,50 4.869,51 5.122,52 3.651,53 3.864,54 5.836,55 3.733,56 0.109,57 0.715,58 12.831,59 6.064,60 23.168,61 7.462,62 0.359,63 1.134,64 24.484,65 9.917,66 63.931,67 12.626,68 0.821,69 1.385,70 38.751,71 12.645,72 105.223,73 16.786,74 0.672,75 1.343,76 37.788,77 12.209,78 87.116,79 16.589,80 0.599,81 1.275,82 34.003,83 11.505,84 83.607,85 15.741,86 0.652,87 1.246,88 34.567,89 11.273,90 87.657,91 15.096,92 0.731,93 1.236,94 35.81,95 11.221,96 111.769,97 15.131,98 0.746,99 1.152,100 35.068,101 10.591,102 93.621,103 14.438,104 34,105 38,106 0.244,107 0.593,108 0.808,109 0.91,110 0.933,111 0.933,112 3.406,113 1.024,114 -3.6,115 -3.57,116 -3.4,118 37.9,120 5,121 1,124 2,125 3,129 4,133 4,135 2,145 1,150 1,153 1,154 10,155 1,158 5,160 1,162 3,164 12,165 1,167 5,168 2,170 3,171 9,172 1,175 5,179 3,180 7,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 4,202 7,203 1,206 3,209 1,210 5,211 6,212 1,215 5,217 1,219 3,222 6,223 1,226 4,230 3,233 5,236 1732,237 19.242,238 19.242,239 19.242,240 19.242,241 19.242,242 17.845,243 21.743,244 11.941,245 19.693,246 14.82,247 14.82,248 14.82,249 14.82,250 14.82,251 12.741,252 21.435,253 5.745,254 15.642,255 4.388,256 2.286,257 0.992,258 0.379,259 0.241,260 0.241,261 4.074,262 1,265 1,266 1,267 857,268 4.416,270 100.938,271 115.297,277 2.709,278 40.576,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.333,289 422,290 4.059,291 3.596,292 6.471,293 3.986,294 3.027,295 3.648,296 2.341,297 10.007,298 2.9,299 4.041,300 3.358,301 5.512,302 3.592,303 2.666,304 3.101,305 1.151,306 7.462,307 2.448,308 3.551,309 3.075,310 5.081,311 3.29,312 2.349,313 2.711,314 0.86,315 6.148,316 2.224,317 3.507,318 2.859,319 4.89,320 3.241,321 2.236,322 2.621,323 0.765,324 5.363,325 2.202,326 3.285,327 2.538,328 4.716,329 2.85,330 1.964,331 2.49,333 5.184,334 1.805,335 3.174,336 2.323,337 4.659,338 2.809,339 1.826,340 2.233,342 5.155,343 1.711,344 2.881,345 2.167,346 4.14,347 2.737,348 1.803,349 1.883,351 3.879,352 1.613,353 2.669,354 1.803,355 3.761,356 2.435,357 1.462,358 1.743,360 3.309,361 1.415,362 2.537,363 1.48,364 3.489,365 2.179,366 1.209,367 1.517,369 2.627,370 1.147,371 2.254,372 1.419,373 3.312,374 2.037,375 1.075,376 1.181,378 2.337,379 1.024,380 2.152,381 1.213,382 3.279,383 1.72,384 0.801,385 0.982,387 1.858,388 0.727,389 1.645,390 1.076,391 2.896,392 1.528,393 0.564,394 0.587,395 1.211,396 0.536,397 1.577,398 0.804,399 2.745,400 1.268,401 0.366,402 0.422,403 0.812,404 0.328,405 1.145,406 0.58,407 2.296,408 0.919,409 -0.049,410 -0.055,411 -0.107,412 -0.047,413 0.93,414 0.274,415 2.142,416 0.518,417 -0.394,418 -0.453,419 -0.873,420 -0.254,421 13.714,422 0.473,423 0.634,424 0.022,425 27.25,426 0.94,427 10,428 0.345,429 17.25,430 0.595,431 29.964,432 1.033,433 34.286,434 0.591,435 20.602,436 0.71,437 5.388,438 0.186,439 8.564,440 0.295,441 0.149,443 0.255,447 0.875,448 1.235,449 0.754,450 1.119,451 0.875,452 1.043,453 0.898,454 1.319,455 0.871,456 1.209,457 0.656,458 1.178,459 1.011,460 1.02,461 0.995,462 0.999,463 0.958,464 1.039,465 0.907,466 0.982,467 0.859,468 0.964,469 0.803,470 0.982,471 0.806,472 0.985,473 0.787,474 0.942,475 0.805,476 0.954,477 1.002,478 1.025,479 0.946,480 1.006,481 1.018,482 1.018,483 0.962,484 1.041,485 0.89,486 1.017,487 0.926,488 1.019,489 1.05,490 0.818,491 0.914,492 0.819,493 0.913,494 0.867,495 5.5,496 0.207,497 2.667,498 1.542,499 1.072,500 0.615,501 0.494,502 0.309,503 0.187,504 0.178,505 12065,506 38979,507 1.957,508 50,509 8,510 15,513 3,514 2,516 1,517 1.714,518 1.832,519 3.786,520 0.891,522 1,525 85.264,526 1.47,527 3.572,528 4.866,529 5.479,530 5.617,531 5.617,532 3.25,533 4.72,534 4.822,535 4.035,536 1638.26,537 8.376,538 24985.9,540 1,541 1,542 339.763,543 1.384,544 4.785,545 0.183,546 0.007,547 0.07,548 0.044,549 0.035,550 0.02,551 0.016,552 0.011,553 0.007,554 0.007,555 0.4,556 0.33,557 0.88,558 1.945,559 153.765,560 -0.088,561 0.021,562 -0.006,563 0.029,564 -0.113,565 0.031,566 -0.016,567 -0.179,568 -0.06,569 -0.142,570 0.07,571 -0.151,572 -0.023,573 -0.026,574 -0.066,575 -0.022,576 -0.051,577 -0.06,578 -0.036,579 -0.008,580 0.019,581 -0.006,582 -0.037,583 0.001,584 0.015,585 0.001,586 0.04,587 0.015,588 0.004,589 0.034,590 -0.049,591 -0.037,592 -0.052,593 -0.041,594 -0.08,595 -0.04,596 0.013,597 -0.074,598 0.012,599 -0.067,600 0.051,601 -0.05,602 -0.059,603 0.112,604 0.009,605 0.107,606 -0.051,607 0.091,608 2.435,609 4.147,610 0.379,611 39.677,612 1.009,613 1.128,614 2.369,615 5.613,616 0.638,617 3.434,618 3.664,619 3.784,620 3.932,621 3.989,622 3.932,623 3.932,624 3.932,625 3.951,626 3.989,627 8.655,628 0.604,629 424.96,630 3.434,631 4.92,632 5.7,633 6.521,634 7.322,635 8.149,636 8.962,637 9.794,638 10.615,639 11.45,651 4,656 2,658 6,668 1,669 1,670 58,671 9,672 1,673 30,675 59,676 22,677 6,678 2,679 4,681 2,682 2,683 1,688 2,689 1,691 8,693 11,694 11,695 1,696 3,698 1,699 4,701 1,704 1,707 29,708 6,709 3,710 7,711 1,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,753 1,756 29,759 3,760 7,762 2,764 4,772 1,773 10.3,774 2,775 1,776 1,777 1,778 1,779 15.833,780 9.493,781 6.639,782 3.455,785 1.907,786 1.279,787 0.849,788 10.569,789 8.75,790 3.611,791 3.998,792 4.294,793 4.641,794 4.965,795 4.909,796 4.93,797 5.066,798 5.246,799 5.415,800 0.9,801 35,802 10.79,803 4.489,804 8.015,805 20.325,806 16.272,807 2.515,808 72.944,811 1,812 306.049,813 107.321,815 39.149,816 175.195,819 107.321,820 520.392,823 21.857,824 161.177,825 79.738,826 19.744,828 306.049,829 39.149,830 306.049,831 107.321,832 175.195,833 39.149,835 294.278,836 90.599,837 96.367,839 21.857,840 47.559,841 77.054,843 306.049,844 175.195,845 146.47,848 306.049,849 31.511,850 75.81,852 214.343,853 306.049,854 175.195,855 146.47,857 0.56,858 0.296,859 0.148,860 0.076,861 13,862 7,863 0.203,864 12,866 1,867 4.26,868 214.635,870 11,871 140.881,874 23.744,875 12.908,876 9.215,878 175.195,879 6.97,884 1.155,886 128.05,887 627.713,888 36,890 10.473,891 7.41,893 -0.769,895 58.542,896 65.428,897 0.251,898 0.61,899 0.831,900 0.935,901 0.959,902 0.959,903 4.816,904 1.462,905 5.638,906 3.879,907 4.344,908 4.682,909 2.699,910 6.319,911 4.235,912 5.936,913 1.209,914 7.119,915 3.309,916 3.761,917 4.159,918 2.243,919 7.002,920 3.537,921 7.166,922 1.075,923 8.699,924 2.627,925 5.808,926 6.533,927 3.76,928 10.042,929 5.605,930 8.422,931 0.801,932 10.341,933 2.337,934 6.043,935 6.771,936 4.112,937 11.651,938 5.726,939 9.708,940 0.564,941 12.027,942 1.858,943 7.544,944 8.659,945 5.233,946 14.201,947 7.246,948 11.012,949 0.366,950 13.747,951 1.211,952 8.192,953 9.286,954 5.889,955 16.216,956 7.796,957 12.333,958 -0.049,959 15.493,960 0.812,961 9.455,962 10.949,963 6.856,964 18.601,965 9.062,966 3.027,967 -0.394,968 17.26,969 -0.107,970 10.322,971 11.805,972 7.625,973 20.787,974 9.848,975 2.666,976 10.007,977 19.046,978 -0.873,979 11.479,980 13.342,981 8.527,982 23.115,983 10.995,984 2.349,985 7.462,986 20.846,987 3.648,988 12.459,989 14.343,990 9.342,991 25.37,992 11.909,993 2.236,994 6.148,995 22.659,996 3.101,997 13.573,998 15.801,999 10.216,1000 27.68,1001 13.001,1002 1.964,1003 5.363,1004 24.481,1005 2.711,1006 14.61,1007 16.898,1008 11.051,1009 29.962,1010 13.984,1011 1.826,1012 5.184,1013 26.312,1014 2.621,1015 15.708,1016 18.303,1017 11.912,1018 32.266,1019 15.053,1020 1.803,1021 5.155,1022 28.149,1023 2.49,1024 16.774,1025 19.464,1026 12.755,1027 34.56,1028 16.072,1029 12164,1030 21973,1031 19.474,1032 37.006,1033 43.462,1034 44.096,1035 44.037,1036 42.903,1037 42.695,1038 50.235,1039 10.233,1040 110.705,1041 40.161,1042 4.974,1043 5.596,1044 6.334,1045 5.048,1046 5.027,1047 6.648,1048 3.925,1049 16.516,1050 4.9,1051 16.662,1052 1.449,1053 1.47,1054 1.468,1055 1.43,1056 1.423,1057 1.674,1058 0.341,1059 3.69,1060 1.339,1061 3.947,1062 3.974,1063 3.996,1064 3.846,1065 7.474,1066 3.844,1067 3.88,1068 3.901,1069 3.827,1070 3.787,1071 6.453,1072 3.785,1073 3.752,1074 3.799,1075 3.625,1076 3.621,1077 6.447,1078 3.613,1079 3.615,1080 3.652,1081 3.526,1082 3.467,1083 6.351,1084 3.467,1085 3.517,1086 3.551,1087 3.413,1088 3.338,1089 4.978,1090 3.345,1091 3.232,1092 3.278,1093 3.307,1094 3.005,1095 4.645,1096 3.014,1097 3.168,1098 3.214,1099 3.078,1100 2.97,1101 4.543,1102 2.974,1103 2.909,1104 2.971,1105 2.994,1106 2.799,1107 4.376,1108 2.772,1109 0.135,1110 0.12,1111 0.216,1112 0.133,1113 0.101,1114 4.059,1115 0.122,1116 3.596,1117 0.078,1118 6.471,1119 0.334,1120 3.986,1121 0.097,1122 3.027,1123 3.648,1124 2.341,1125 10.007,1126 2.9,1127 1.87,1128 1.852,1129 2.026,1130 1.974,1131 1.349,1132 1.986,1133 1.823,1134 1.781,1135 1.965,1136 1.951,1137 1.28,1138 1.967,1139 1.719,1140 1.675,1141 1.919,1142 1.873,1143 1.07,1144 1.889,1145 1.597,1146 1.556,1147 1.805,1148 1.783,1149 1.001,1150 1.79,1151 1.433,1152 1.391,1153 1.67,1154 1.658,1155 0.907,1156 1.657,1157 1.305,1158 1.266,1159 1.56,1160 1.58,1161 0.802,1162 1.57,1163 1.141,1164 1.09,1165 1.426,1166 1.397,1167 0.632,1168 1.401,1169 0.925,1170 0.88,1171 1.22,1172 1.199,1173 0.359,1174 1.203,1175 4.111,1177 5.361,1178 2.398,1179 6.77,1180 4.727,1181 8.257,1182 6.783,1183 9.791,1186 5.901,1189 28.869,1190 3.513,1192 11.138,1194 -1.716,1199 35.018,1200 85.264,1201 207.194,1202 282.253,1203 317.763,1204 325.763,1205 325.763,1206 95.755,1207 6.843,1208 96.22,1209 96.22,1210 11,1211 12.023,1212 3.322,1213 2.807,1214 65.948,1215 146,1216 157,1217 0.208,1218 221.761,1219 405.65,1220 532.857,1221 9438,1222 1.7,1223 21.062,1224 0.726,1225 0.589,1226 21.562,1227 17.078,1228 13.952,1229 0.465,1230 0.341,1231 9.763,1232 13.103,1233 9.58,1234 7.884,1235 14.241,1236 10.244,1237 12.115,1238 0.319,1239 0.198,1240 12.523,1241 7.533,1242 8.791,1243 0.204,1244 0.115,1245 9.053,1246 4.937,1247 6.696,1248 0.134,1249 0.066,1250 6.965,1251 3.287,1252 4.856,1253 0.092,1254 0.038,1255 5.033,1256 2.006,1257 0.344,1258 91.016,1259 0.227,1260 28.792,1261 0.527,1262 136,1263 453.859,1264 167.241,1265 448.566,1266 567.48,1267 416,1268 149,1269 352.075,1270 172.933,1271 359.312,1272 517.76,1273 338,1274 6.712}
{0 CHEMBL185466,1 1.583,2 15.5,3 3.875,4 15.019,5 113.754,6 7.517,7 0.182,8 4.193,9 4.292,10 3.712,11 3.638,12 5.354,13 3.639,14 4.773,15 4.92,16 4.115,17 4.006,18 6.321,19 3.985,20 5.054,21 5.265,22 4.054,23 4.122,24 6.221,25 4.052,26 5.078,27 5.317,28 3.965,29 4.073,30 6.2,31 3.996,32 5.001,33 5.233,34 3.98,35 4.012,36 6.236,37 3.936,38 4.953,39 5.178,40 3.869,41 3.992,42 6.039,43 3.91,44 4.995,45 5.23,46 3.845,47 3.966,48 6.138,49 3.884,50 4.967,51 5.21,52 3.865,53 3.892,54 6.304,55 3.818,56 0.251,57 0.965,58 12.685,59 6.523,60 51.239,61 7.463,62 1.137,63 1.828,64 26.258,65 10.417,66 195.586,67 12.597,68 1.152,69 1.678,70 37.268,71 12.719,72 139.77,73 16.751,74 1.194,75 1.749,76 39.995,77 12.73,78 162.29,79 16.703,80 1.399,81 1.515,82 36.993,83 11.709,84 159.453,85 15.785,86 1.049,87 1.421,88 34.388,89 11.291,90 148.807,91 15.092,92 1.188,93 1.46,94 36.869,95 11.391,96 187.68,97 15.193,98 1.533,99 1.377,100 37.194,101 10.644,102 217.555,103 14.454,104 61,105 44,106 0.26,107 0.604,108 0.807,109 0.902,110 0.924,111 0.924,112 3.501,113 0.954,114 -3.91,115 -3.87,116 -3.67,118 37.7,120 5,121 1,124 2,125 3,127 1,129 4,133 4,134 1,135 1,145 1,150 1,153 1,154 12,155 1,158 5,160 1,162 3,164 11,165 1,167 6,168 2,170 3,171 9,172 1,175 4,179 3,180 6,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 5,202 8,203 1,206 3,209 1,210 4,211 6,212 1,215 5,217 1,219 3,222 5,223 1,226 5,230 3,233 6,236 2134,237 20.714,238 20.714,239 20.714,240 20.714,241 20.714,242 19.408,243 24.596,244 12.582,245 21.28,246 16.295,247 16.295,248 16.295,249 16.295,250 16.295,251 14.279,252 25.392,253 6.029,254 17.333,255 4.347,256 2.251,257 1.021,258 0.439,259 0.307,260 0.307,261 4.165,265 1,266 1,267 1002,268 5.05,270 112.363,271 127.869,277 2.875,278 64.682,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 74.5,289 496,290 4.452,291 4.461,292 7.116,293 4.179,294 3.319,295 3.864,296 3.825,297 11.689,298 2.901,299 4.057,300 3.596,301 6.471,302 3.986,303 3.027,304 3.107,305 2.341,306 10.007,307 2.886,308 3.796,309 3.358,310 5.403,311 3.444,312 2.528,313 3.082,314 1.151,315 7.154,316 2.292,317 3.551,318 2.987,319 5.066,320 3.242,321 2.289,322 2.711,323 0.86,324 6.094,325 2.223,326 3.479,327 2.702,328 4.875,329 3.237,330 2.236,331 2.559,332 0.765,333 5.272,334 2.147,335 3.177,336 2.331,337 4.659,338 2.815,339 1.841,340 2.236,342 5.184,343 1.805,344 2.964,345 2.167,346 4.498,347 2.761,348 1.808,349 2.077,351 4.439,352 1.695,353 2.849,354 1.979,355 4.14,356 2.499,357 1.578,358 1.864,360 3.878,361 1.428,362 2.571,363 1.803,364 3.761,365 2.434,366 1.461,367 1.602,369 3.309,370 1.41,371 2.537,372 1.473,373 3.5,374 2.095,375 1.119,376 1.517,378 2.564,379 1.08,380 2.254,381 1.301,382 3.312,383 2.037,384 1.075,385 1.181,387 2.337,388 1.024,389 2.152,390 1.199,391 3.281,392 1.719,393 0.8,394 0.981,395 1.856,396 0.727,397 1.645,398 1.073,399 2.908,400 1.528,401 0.564,402 0.586,403 1.21,404 0.536,405 1.577,406 0.804,407 2.763,408 1.267,409 0.365,410 0.421,411 0.811,412 0.327,413 1.145,414 0.58,415 2.701,416 0.919,417 -0.049,418 -0.055,419 -0.107,420 -0.047,421 14.357,422 0.449,423 0.922,424 0.029,425 29.25,426 0.914,427 10,428 0.313,429 19.25,430 0.602,431 33.516,432 1.047,433 39.043,434 0.64,435 26.331,436 0.823,437 5.995,438 0.187,439 9.169,440 0.287,441 0.153,442 0.035,443 0.244,444 3,447 0.739,448 1.035,449 0.786,450 1.229,451 0.735,452 1.081,453 0.647,454 0.903,455 0.888,456 1.255,457 0.473,458 1.199,459 0.761,460 0.873,461 0.919,462 1.072,463 0.662,464 1.074,465 0.943,466 0.949,467 0.974,468 1.001,469 0.851,470 1.002,471 0.692,472 0.816,473 0.848,474 0.961,475 0.691,476 0.971,477 0.807,478 0.802,479 0.954,480 1.029,481 0.768,482 1.052,483 0.923,484 0.856,485 1.013,486 1.02,487 0.882,488 1.047,489 0.829,490 0.75,491 0.895,492 0.825,493 0.701,494 0.878,495 7.5,496 0.256,497 3.556,498 1.917,499 1.37,500 0.913,501 0.535,502 0.465,503 0.237,504 0.198,505 15494,506 57822,507 1.919,508 47.5,509 8,510 15,513 3,514 2,516 1,517 1.74,518 1.77,519 3.856,520 0.884,522 1,525 96.587,526 1.583,527 3.68,528 4.91,529 5.492,530 5.623,531 5.623,532 3.371,533 4.664,534 4.966,535 4.131,536 2049.16,537 8.661,538 33632.1,542 361.775,543 1.6,544 4.904,545 0.227,546 0.008,547 0.081,548 0.047,549 0.037,550 0.025,551 0.016,552 0.015,553 0.007,554 0.007,555 0.469,556 0.33,557 0.88,558 1.98,559 175.004,560 -0.075,561 -0.001,562 -0.009,563 0.021,564 -0.108,565 0.031,566 0.217,567 0.161,568 -0.006,569 -0.123,570 0.31,571 -0.154,572 -0.005,573 -0.111,574 -0.011,575 -0.072,576 0.006,577 -0.057,578 -0.097,579 -0.064,580 -0.018,581 -0.026,582 -0.065,583 0.001,584 0.126,585 0.01,586 0.097,587 0.012,588 0.059,589 0.035,590 -0.044,591 -0.042,592 -0.034,593 -0.047,594 -0.058,595 -0.039,596 -0.074,597 -0.039,598 -0.058,599 -0.061,600 -0.064,601 -0.053,602 0.084,603 0.043,604 0.093,605 0.095,606 0.124,607 0.094,608 5.722,609 4.747,610 0.344,611 44.441,612 1.027,613 1.146,614 2.685,615 7.207,616 0.618,617 3.526,618 3.807,619 3.912,620 4.043,621 4.143,622 4.094,623 4.143,624 4.094,625 4.06,626 4.143,627 9.236,628 0.604,629 458.52,630 3.526,631 5.043,632 5.832,633 6.676,634 7.489,635 8.336,636 9.163,637 10.012,638 10.848,639 11.699,651 4,656 2,658 6,668 1,670 61,671 9,672 1,673 33,675 62,676 23,677 6,678 2,679 4,681 2,682 2,685 1,688 2,689 1,690 1,691 8,693 11,694 12,695 1,696 3,698 1,699 4,701 1,704 1,705 3,707 29,708 9,709 3,710 9,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,754 3,756 32,759 3,760 7,762 2,764 4,766 1,772 3,773 9.8,774 2,775 1,776 1,777 1,778 1,779 18.083,780 10.029,781 7.139,782 3.589,785 1.995,786 1.281,787 0.85,788 10.561,789 9.086,790 3.689,791 4.103,792 4.41,793 4.763,794 5.138,795 5.151,796 5.327,797 5.232,798 5.386,799 5.593,800 1,801 41,802 12.404,803 5.708,804 8.44,805 21.787,806 17.532,807 2.94,808 94.083,811 1,812 306.049,813 114.766,816 175.195,817 44.88,819 114.766,820 481.243,821 44.88,823 21.857,824 161.177,825 79.738,826 64.309,828 306.049,829 7.76,830 306.049,831 114.766,832 220.075,835 294.278,836 135.48,837 96.367,839 29.617,840 47.244,841 37.905,843 350.929,844 175.195,845 114.766,848 313.808,849 31.196,850 75.81,852 220.075,853 306.049,854 220.075,855 114.766,857 0.575,858 0.3,859 0.143,860 0.076,861 16,862 9,863 0.194,864 12,866 1,867 4.42,868 250.077,870 11,871 155.245,874 26.241,875 12.879,876 9.574,878 220.075,879 4.429,884 -0.822,886 128.05,887 640.89,888 39,890 10.474,891 6.948,893 -0.808,895 62.64,896 69.919,897 0.267,898 0.62,899 0.828,900 0.926,901 0.948,902 0.948,903 4.931,904 1.578,905 5.832,906 4.439,907 4.489,908 4.787,909 3.547,910 6.6,911 4.365,912 6.09,913 1.461,914 7.378,915 3.878,916 4.205,917 4.477,918 4.06,919 7.711,920 3.889,921 7.361,922 1.119,923 9.044,924 3.309,925 6.089,926 6.694,927 5.591,928 10.67,929 5.813,930 8.665,931 1.075,932 10.787,933 2.564,934 6.621,935 7.147,936 6.762,937 12.644,938 6.124,939 10.002,940 0.8,941 12.582,942 2.337,943 8.036,944 8.914,945 8.115,946 15.221,947 7.552,948 11.364,949 0.564,950 14.415,951 1.856,952 8.931,953 9.743,954 9.418,955 17.496,956 8.243,957 12.745,958 0.365,959 16.276,960 1.21,961 10.18,962 11.317,963 10.755,964 19.969,965 9.46,966 3.319,967 -0.049,968 18.158,969 0.811,970 11.236,971 12.357,972 12.086,973 22.348,974 10.34,975 3.027,976 11.689,977 20.055,978 -0.107,979 12.43,980 13.833,981 13.424,982 24.795,983 11.466,984 2.528,985 10.007,986 21.964,987 3.864,988 13.555,989 14.996,990 14.762,991 27.212,992 12.438,993 2.289,994 7.154,995 23.882,996 3.107,997 14.734,998 16.419,999 16.102,1000 29.654,1001 13.525,1002 2.236,1003 6.094,1004 25.808,1005 3.082,1006 15.889,1007 17.655,1008 17.443,1009 32.088,1010 14.543,1011 1.841,1012 5.272,1013 27.739,1014 2.711,1015 17.067,1016 19.049,1017 18.784,1018 34.531,1019 15.614,1020 1.808,1021 5.184,1022 29.674,1023 2.559,1024 18.237,1025 20.33,1026 20.125,1027 36.973,1028 16.654,1029 15704,1030 30622,1031 20.86,1032 37.722,1033 49.027,1034 48.142,1035 48.91,1036 48.269,1037 48.022,1038 55.575,1039 17.883,1040 131.611,1041 44.959,1042 5.367,1043 6.461,1044 6.979,1045 5.243,1046 5.319,1047 6.864,1048 5.409,1049 18.66,1050 4.901,1051 21,1052 1.486,1053 1.459,1054 1.482,1055 1.463,1056 1.455,1057 1.684,1058 0.542,1059 3.988,1060 1.362,1061 3.963,1062 3.988,1063 3.908,1064 3.859,1065 8.513,1066 3.864,1067 3.901,1068 3.928,1069 3.819,1070 3.79,1071 7.999,1072 3.79,1073 3.753,1074 3.8,1075 3.625,1076 3.621,1077 7.999,1078 3.613,1079 3.622,1080 3.658,1081 3.517,1082 3.468,1083 7.474,1084 3.469,1085 3.519,1086 3.553,1087 3.412,1088 3.339,1089 6.453,1090 3.346,1091 3.327,1092 3.366,1093 3.328,1094 3.036,1095 6.447,1096 3.086,1097 3.232,1098 3.277,1099 3.078,1100 3.003,1101 6.351,1102 3.013,1103 3.145,1104 3.198,1105 3.005,1106 2.934,1107 4.821,1108 2.943,1109 0.135,1110 0.135,1111 0.216,1112 0.127,1113 0.101,1114 4.452,1115 0.117,1116 4.461,1117 0.116,1118 7.116,1119 0.354,1120 4.179,1121 0.088,1122 3.319,1123 3.864,1124 3.825,1125 11.689,1126 2.901,1127 1.894,1128 1.874,1129 2.026,1130 2.006,1131 1.349,1132 2,1133 1.824,1134 1.782,1135 1.992,1136 1.956,1137 1.28,1138 1.979,1139 1.719,1140 1.676,1141 1.922,1142 1.878,1143 1.096,1144 1.892,1145 1.598,1146 1.557,1147 1.806,1148 1.789,1149 1.018,1150 1.793,1151 1.434,1152 1.391,1153 1.67,1154 1.658,1155 0.907,1156 1.657,1157 1.308,1158 1.27,1159 1.561,1160 1.588,1161 0.803,1162 1.574,1163 1.147,1164 1.101,1165 1.427,1166 1.44,1167 0.632,1168 1.406,1169 1.085,1170 1.046,1171 1.222,1172 1.386,1173 0.36,1174 1.33,1175 4.205,1177 5.493,1178 2.398,1179 6.94,1180 4.727,1181 8.465,1182 6.783,1183 10.038,1187 38.241,1189 28.82,1190 2.788,1192 10.807,1194 -2.32,1196 -4.472,1199 36.867,1200 96.587,1201 224.452,1202 299.51,1203 335.02,1204 343.02,1205 343.02,1206 137.828,1207 7.091,1208 96.22,1209 96.22,1210 11,1211 12.26,1212 3.322,1213 2.807,1214 77.418,1215 176,1216 187,1217 0.207,1218 226.615,1219 425.95,1220 544.701,1221 13053,1222 4.9,1223 23.562,1224 0.736,1225 0.549,1226 21.062,1227 17.578,1228 15.164,1229 0.46,1230 0.318,1231 10.285,1232 14.327,1233 10.186,1234 8.345,1235 13.952,1236 10.494,1237 14.073,1238 0.32,1239 0.174,1240 12.115,1241 7.665,1242 9.754,1243 0.199,1244 0.103,1245 8.791,1246 5.067,1247 7.214,1248 0.129,1249 0.059,1250 6.696,1251 3.312,1252 5.485,1253 0.088,1254 0.033,1255 4.856,1256 2.053,1257 0.342,1258 97.358,1259 0.219,1260 31.138,1261 0.522,1262 154,1263 703.989,1264 186.739,1265 574.983,1266 716.16,1267 530,1268 170,1269 459.212,1270 194.65,1271 437.619,1272 653.09,1273 410,1274 6.046}
{0 CHEMBL185484,1 1.529,2 16.229,3 4.269,4 18.224,5 127.856,6 7.152,7 0.167,8 4.316,9 4.423,10 3.794,11 3.768,12 5.432,13 3.753,14 4.908,15 5.068,16 4.208,17 4.149,18 6.357,19 4.111,20 5.214,21 5.428,22 4.179,23 4.282,24 6.333,25 4.207,26 5.249,27 5.489,28 4.134,29 4.252,30 6.42,31 4.168,32 5.189,33 5.418,34 4.083,35 4.202,36 6.399,37 4.111,38 5.157,39 5.404,40 4.003,41 4.195,42 6.209,43 4.084,44 5.212,45 5.463,46 3.967,47 4.166,48 6.302,49 4.055,50 5.153,51 5.41,52 3.964,53 4.093,54 6.407,55 3.988,56 0.194,57 1.079,58 15.423,59 7.549,60 46.114,61 9.038,62 1.072,63 2.02,64 31.297,65 12.121,66 188.286,67 15.283,68 1.071,69 1.924,70 44.143,71 14.822,72 142.92,73 19.804,74 1.192,75 2.021,76 47.088,77 15.078,78 182.583,79 20.225,80 1.414,81 1.787,82 44.475,83 14.017,84 189.163,85 19.012,86 0.944,87 1.714,88 42.112,89 14.079,90 161.051,91 19.596,92 1.306,93 1.745,94 46.045,95 14.046,96 209.002,97 19.436,98 1.548,99 1.639,100 44.263,101 13.002,102 230.012,103 18.13,104 94,105 49,106 0.244,107 0.568,108 0.802,109 0.891,110 0.9,111 0.9,112 3.587,113 0.987,114 -4.52,115 -4.45,116 -4.19,118 37.1,119 2,120 5,121 2,124 1,125 4,127 1,129 4,133 4,134 1,135 1,145 1,154 13,157 1,158 6,162 5,164 15,167 5,168 1,170 5,171 11,175 6,178 1,179 5,180 10,184 3,189 6,192 10,196 3,199 1,200 6,202 11,206 4,208 1,209 1,210 4,211 11,215 3,217 1,219 3,222 10,226 3,230 4,233 10,236 2853,237 22.369,238 22.369,239 22.369,240 22.369,241 22.369,242 21.115,243 27.41,244 13.402,245 22.984,246 17.762,247 17.762,248 17.762,249 17.762,250 17.762,251 15.781,252 30.083,253 6.397,254 18.853,255 4.6,256 2.569,257 1.104,258 0.547,259 0.489,260 0.489,261 4.25,266 1,267 1145,268 5.385,270 124.444,271 141.265,277 3.035,278 70.284,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.67,286 0.5,287 0.74,288 80.5,289 568,290 4.452,291 4.461,292 7.116,293 4.179,294 3.319,295 3.864,296 3.825,297 11.689,298 3.088,299 4.172,300 3.701,301 6.682,302 4.13,303 3.148,304 3.211,305 2.443,306 10.723,307 2.886,308 3.796,309 3.337,310 5.404,311 3.446,312 2.528,313 3.088,314 0.86,315 7.154,316 2.358,317 3.714,318 2.987,319 5.351,320 3.444,321 2.495,322 2.874,323 0.765,324 6.547,325 2.292,326 3.479,327 2.701,328 5.203,329 3.239,330 2.29,331 2.56,332 0.286,333 6.289,334 2.15,335 3.215,336 2.444,337 5,338 2.999,339 2.04,340 2.275,342 5.908,343 1.951,344 3.004,345 2.379,346 4.661,347 2.895,348 1.921,349 2.078,351 4.756,352 1.85,353 2.966,354 2.148,355 4.499,356 2.733,357 1.755,358 1.987,360 4.439,361 1.707,362 2.915,363 1.988,364 4.325,365 2.563,366 1.598,367 1.946,369 4.389,370 1.541,371 2.685,372 1.901,373 3.801,374 2.496,375 1.556,376 1.669,378 3.444,379 1.424,380 2.571,381 1.535,382 3.518,383 2.109,384 1.131,385 1.601,387 2.576,388 1.098,389 2.333,390 1.281,391 3.475,392 2.092,393 1.111,394 1.251,395 2.47,396 1.078,397 2.169,398 1.121,399 3.233,400 1.786,401 0.818,402 1.004,403 1.875,404 0.785,405 1.63,406 1.038,407 2.973,408 1.43,409 0.508,410 0.551,411 1.17,412 0.461,413 1.404,414 0.742,415 2.738,416 1.191,417 0.232,418 0.257,419 0.517,420 0.222,421 15.857,422 0.453,423 1.118,424 0.032,425 30.75,426 0.879,427 10,428 0.286,429 20.75,430 0.593,431 41.071,432 1.173,433 42.943,434 0.613,435 28.198,436 0.806,437 5.973,438 0.171,439 10.495,440 0.3,441 0.201,442 0.032,443 0.284,444 3,447 0.727,448 1.07,449 0.829,450 1.26,451 0.737,452 1.125,453 0.618,454 0.925,455 0.867,456 1.248,457 0.508,458 1.174,459 0.877,460 0.881,461 0.963,462 1.064,463 0.726,464 1.058,465 0.938,466 0.949,467 0.958,468 1.012,469 0.915,470 0.998,471 0.857,472 0.828,473 0.983,474 0.983,475 0.924,476 1.024,477 0.691,478 0.819,479 0.88,480 1.055,481 0.685,482 1.042,483 0.892,484 0.808,485 0.992,486 0.961,487 0.886,488 1.003,489 0.811,490 0.719,491 0.884,492 0.795,493 0.724,494 0.857,495 9,496 0.283,497 4,498 2.889,499 1.53,500 1.136,501 0.657,502 0.497,503 0.336,504 0.294,505 19491,506 65077,507 1.895,508 50,509 6,510 14,513 3,514 2,515 8,516 2,517 1.763,518 1.728,519 3.914,520 0.82,525 107.049,526 1.529,527 3.561,528 5.025,529 5.583,530 5.64,531 5.64,532 3.373,533 4.615,534 5.096,535 4.2,536 2499.28,537 8.926,538 43819.4,542 429.05,543 1.67,544 5.02,545 0.25,546 0.007,547 0.082,548 0.061,549 0.035,550 0.028,551 0.017,552 0.014,553 0.009,554 0.008,555 0.511,556 0.17,557 0.75,558 2.059,559 196.487,560 -0.063,562 -0.004,563 0.018,564 -0.11,565 0.026,566 0.239,567 0.148,568 0.043,569 -0.102,570 0.285,571 -0.104,572 -0.062,573 -0.101,574 -0.036,575 -0.06,576 -0.027,577 -0.048,578 -0.059,579 -0.06,581 -0.031,582 -0.032,583 -0.002,584 0.028,585 0.006,586 -0.028,587 -0.006,588 -0.02,589 -0.033,590 0.008,591 -0.056,592 0.03,593 -0.066,594 0.008,595 -0.022,596 -0.035,597 -0.014,598 -0.034,599 -0.016,600 -0.055,601 -0.022,602 0.084,603 0.069,604 0.09,605 0.128,606 0.108,607 0.112,608 5.736,609 4.804,610 0.314,611 51.902,612 1.018,613 1.145,614 3.293,615 10.844,616 0.614,617 3.611,618 3.912,619 4.025,620 4.19,621 4.263,622 4.205,623 4.234,624 4.19,625 4.205,626 4.277,627 9.718,628 0.592,629 500.61,630 3.611,631 5.142,632 5.938,633 6.795,634 7.614,635 8.474,636 9.306,637 10.168,638 11.009,639 11.872,651 4,656 2,658 6,668 1,670 70,671 9,672 1,673 36,675 71,676 26,677 6,678 2,679 4,681 2,682 2,685 3,688 3,689 2,690 1,691 9,693 11,694 15,695 2,696 3,698 1,699 4,701 1,705 3,707 35,708 9,709 3,710 9,717 1,718 6,719 3,730 1,731 1,740 1,741 4,746 3,748 2,752 2,754 3,756 35,759 3,760 6,762 2,764 6,766 1,772 3,773 8.6,774 3,776 1,778 2,779 20.25,780 12.195,781 7.75,782 4.259,785 1.99,786 1.274,787 0.841,788 11.614,789 9.256,790 3.761,791 4.182,792 4.491,793 4.861,794 5.189,795 5.219,796 5.375,797 5.294,798 5.482,799 5.689,800 0.909,801 47,802 13.602,803 6.255,804 8.336,805 24.117,806 19.562,807 2.836,808 99.25,812 376.675,813 134.105,816 175.195,817 44.88,819 134.105,820 551.87,821 44.88,822 17.65,823 17.265,824 203.86,825 32.336,826 75.309,828 376.675,829 7.76,830 376.675,831 134.105,832 220.075,835 258.964,836 209.736,837 128.05,839 42.675,840 53.525,841 37.905,843 421.556,844 175.195,845 134.105,848 384.435,849 32.885,850 93.46,852 220.075,853 376.675,854 220.075,855 134.105,857 0.58,858 0.306,859 0.153,860 0.078,861 18,862 11,863 0.183,864 13,866 1,867 4.597,868 285.93,870 11,871 172.77,874 29.219,875 13.912,876 10.245,878 220.075,879 4.402,884 -0.849,886 128.05,887 730.856,888 42,890 11.537,891 6.893,893 -0.233,895 71.29,896 80.164,897 0.25,898 0.581,899 0.82,900 0.911,901 0.92,902 0.92,903 5.021,904 1.755,905 5.953,906 4.756,907 4.595,908 4.868,909 3.512,910 6.742,911 4.48,912 6.187,913 1.598,914 7.514,915 4.439,916 4.369,917 4.605,918 4.06,919 7.847,920 4.088,921 7.463,922 1.556,923 9.189,924 4.389,925 6.213,926 6.768,927 5.611,928 10.828,929 5.963,930 8.769,931 1.131,932 10.935,933 3.444,934 6.77,935 7.244,936 6.774,937 12.784,938 6.344,939 10.108,940 1.111,941 12.73,942 2.576,943 8.168,944 8.981,945 8.131,946 15.379,947 7.752,948 11.471,949 0.818,950 14.561,951 2.47,952 9.075,953 9.824,954 9.427,955 17.647,956 8.509,957 12.854,958 0.508,959 16.418,960 1.875,961 10.319,962 11.377,963 10.763,964 20.13,965 9.73,966 3.319,967 0.232,968 18.297,969 1.17,970 11.382,971 12.422,972 12.091,973 22.507,974 10.673,975 3.148,976 11.689,977 20.191,978 0.517,979 12.575,980 13.884,981 13.428,982 24.957,983 11.819,984 2.528,985 10.723,986 22.097,987 3.864,988 13.704,989 15.048,990 14.765,991 27.373,992 12.849,993 2.495,994 7.154,995 24.012,996 3.211,997 14.884,998 16.461,999 16.104,1000 29.814,1001 13.968,1002 2.29,1003 6.547,1004 25.935,1005 3.088,1006 16.042,1007 17.695,1008 17.444,1009 32.245,1010 15.04,1011 2.04,1012 6.289,1013 27.864,1014 2.874,1015 17.22,1016 19.082,1017 18.785,1018 34.685,1019 16.15,1020 1.921,1021 5.908,1022 29.797,1023 2.56,1024 18.392,1025 20.36,1026 20.126,1027 37.123,1028 17.243,1029 19778,1030 36543,1031 22.364,1032 43.006,1033 54.01,1034 53.605,1035 54.291,1036 53.216,1037 52.904,1038 60.432,1039 16.358,1040 147.897,1041 49.782,1042 5.374,1043 6.461,1044 6.939,1045 5.232,1046 5.319,1047 6.864,1048 5.556,1049 18.66,1050 5.088,1051 25.126,1052 1.5,1053 1.489,1054 1.508,1055 1.478,1056 1.47,1057 1.679,1058 0.454,1059 4.108,1060 1.383,1061 3.987,1062 4.019,1063 3.915,1064 3.886,1065 8.513,1066 3.885,1067 3.92,1068 3.944,1069 3.852,1070 3.832,1071 7.999,1072 3.832,1073 3.767,1074 3.806,1075 3.655,1076 3.626,1077 7.999,1078 3.62,1079 3.639,1080 3.685,1081 3.527,1082 3.478,1083 7.432,1084 3.481,1085 3.595,1086 3.641,1087 3.462,1088 3.429,1089 6.465,1090 3.427,1091 3.423,1092 3.479,1093 3.331,1094 3.273,1095 6.449,1096 3.262,1097 3.326,1098 3.366,1099 3.261,1100 3.035,1101 6.434,1102 3.085,1103 3.147,1104 3.199,1105 3.009,1106 2.934,1107 4.82,1108 2.943,1109 0.124,1110 0.124,1111 0.198,1112 0.116,1113 0.092,1114 4.452,1115 0.107,1116 4.461,1117 0.106,1118 7.116,1119 0.325,1120 4.179,1121 0.086,1122 3.319,1123 3.864,1124 3.825,1125 11.689,1126 3.088,1127 1.894,1128 1.874,1129 2.018,1130 2.007,1131 1.352,1132 2.001,1133 1.828,1134 1.789,1135 1.991,1136 1.957,1137 1.237,1138 1.975,1139 1.725,1140 1.684,1141 1.923,1142 1.893,1143 1.155,1144 1.9,1145 1.629,1146 1.585,1147 1.882,1148 1.829,1149 1.089,1150 1.844,1151 1.568,1152 1.51,1153 1.818,1154 1.764,1155 1.051,1156 1.785,1157 1.477,1158 1.432,1159 1.712,1160 1.696,1161 0.975,1162 1.699,1163 1.328,1164 1.282,1165 1.566,1166 1.535,1167 0.776,1168 1.544,1169 1.103,1170 1.07,1171 1.417,1172 1.434,1173 0.541,1174 1.346,1175 4.29,1177 5.595,1178 2.398,1179 7.055,1180 4.844,1181 8.594,1182 6.986,1183 10.179,1185 3.596,1187 38.413,1189 30.836,1190 2.141,1192 10.356,1194 -3.357,1196 -4.486,1199 41.448,1200 107.049,1201 249.236,1202 351.766,1203 390.785,1204 394.785,1205 394.785,1206 174.409,1207 7.267,1208 96.22,1209 96.22,1210 11,1211 12.425,1212 3.322,1213 2.807,1214 89.552,1215 199,1216 212,1217 0.207,1218 255.392,1219 477.85,1220 614.917,1221 16260,1222 4.3,1223 26.01,1224 0.743,1225 0.572,1226 23.51,1227 20.026,1228 16.468,1229 0.457,1230 0.329,1231 11.635,1232 15.625,1233 11.408,1234 9.396,1235 15.257,1236 11.841,1237 15.6,1238 0.318,1239 0.184,1240 13.642,1241 9.038,1242 10.682,1243 0.194,1244 0.104,1245 9.719,1246 5.747,1247 8.407,1248 0.129,1249 0.062,1250 7.89,1251 4.02,1252 5.974,1253 0.085,1254 0.035,1255 5.344,1256 2.476,1257 0.342,1258 105.094,1259 0.211,1260 33.42,1261 0.525,1262 170,1263 719.989,1264 203.403,1265 591.629,1266 742.78,1267 546,1268 189,1269 484.273,1270 213.54,1271 462.176,1272 688.76,1273 434,1274 8.569}
{0 CHEMBL185559,1 1.583,2 15.5,3 3.875,4 15.019,5 113.754,6 7.517,7 0.182,8 4.193,9 4.292,10 3.712,11 3.638,12 5.354,13 3.639,14 4.773,15 4.92,16 4.115,17 4.006,18 6.321,19 3.985,20 5.054,21 5.265,22 4.054,23 4.122,24 6.221,25 4.052,26 5.078,27 5.316,28 3.966,29 4.077,30 6.198,31 4,32 5.026,33 5.26,34 3.985,35 4.035,36 6.233,37 3.953,38 5.002,39 5.239,40 3.874,41 4.021,42 6.049,43 3.929,44 5.006,45 5.247,46 3.843,47 3.967,48 6.145,49 3.883,50 4.951,51 5.187,52 3.865,53 3.878,54 6.304,55 3.812,56 0.251,57 0.965,58 12.685,59 6.523,60 51.239,61 7.463,62 1.137,63 1.828,64 26.258,65 10.417,66 195.669,67 12.597,68 1.152,69 1.678,70 37.268,71 12.719,72 140.023,73 16.751,74 1.189,75 1.755,76 39.904,77 12.765,78 161.912,79 16.721,80 1.413,81 1.546,82 37.895,83 12.038,84 159.326,85 16.306,86 1.097,87 1.462,88 36.554,89 11.811,90 153.669,91 16.06,92 1.208,93 1.463,94 37.547,95 11.47,96 196.022,97 15.407,98 1.535,99 1.361,100 36.494,101 10.422,102 225.364,103 14.008,104 61,105 44,106 0.26,107 0.604,108 0.812,109 0.913,110 0.924,111 0.924,112 3.501,113 0.954,114 -3.91,115 -3.87,116 -3.67,118 37.7,120 5,121 1,124 2,125 3,127 1,129 4,133 4,134 1,135 1,145 1,150 1,153 1,154 12,155 1,158 5,160 1,162 3,164 11,165 1,167 6,168 2,170 3,171 9,172 1,175 4,179 3,180 6,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 5,202 8,203 1,206 3,209 1,210 4,211 6,212 1,215 5,217 1,219 3,222 5,223 1,226 5,230 3,233 6,236 2134,237 20.714,238 20.714,239 20.714,240 20.714,241 20.714,242 19.408,243 23.028,244 12.582,245 21.28,246 16.295,247 16.295,248 16.295,249 16.295,250 16.295,251 14.262,252 22.91,253 6.029,254 17.333,255 4.347,256 2.251,257 0.988,258 0.373,259 0.307,260 0.307,261 4.165,265 1,266 1,267 1002,268 5.05,270 112.363,271 127.869,277 2.875,278 64.705,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 74.5,289 496,290 4.452,291 4.461,292 7.116,293 4.179,294 3.319,295 3.864,296 3.825,297 11.689,298 2.901,299 4.053,300 3.597,301 6.471,302 3.986,303 3.027,304 3.102,305 2.341,306 10.007,307 2.886,308 3.796,309 3.351,310 5.403,311 3.444,312 2.528,313 3.079,314 1.151,315 7.154,316 2.292,317 3.559,318 2.987,319 5.066,320 3.242,321 2.289,322 2.722,323 0.86,324 6.094,325 2.223,326 3.476,327 2.701,328 4.875,329 3.237,330 2.236,331 2.551,332 0.765,333 5.272,334 2.147,335 3.179,336 2.32,337 4.659,338 2.815,339 1.841,340 2.244,342 5.184,343 1.805,344 2.966,345 2.176,346 4.498,347 2.761,348 1.808,349 2.079,351 4.439,352 1.695,353 2.85,354 1.979,355 4.14,356 2.499,357 1.578,358 1.867,360 3.878,361 1.428,362 2.573,363 1.804,364 3.761,365 2.434,366 1.461,367 1.602,369 3.309,370 1.41,371 2.57,372 1.556,373 3.5,374 2.095,375 1.119,376 1.556,378 2.564,379 1.08,380 2.181,381 1.301,382 3.312,383 2.037,384 1.075,385 1.096,387 2.337,388 1.024,389 2.102,390 1.155,391 3.281,392 1.719,393 0.8,394 0.981,395 1.856,396 0.727,397 1.754,398 1.032,399 2.908,400 1.528,401 0.564,402 0.615,403 1.21,404 0.536,405 1.582,406 0.804,407 2.763,408 1.267,409 0.365,410 0.425,411 0.811,412 0.327,413 1.127,414 0.579,415 2.701,416 0.919,417 -0.049,418 -0.055,419 -0.107,420 -0.047,421 14.357,422 0.449,423 0.922,424 0.029,425 29.25,426 0.914,427 10,428 0.313,429 19.25,430 0.602,431 33.633,432 1.051,433 39.043,434 0.64,435 26.214,436 0.819,437 5.995,438 0.187,439 9.169,440 0.287,441 0.153,442 0.035,443 0.244,444 3,447 0.739,448 1.035,449 0.786,450 1.229,451 0.735,452 1.081,453 0.647,454 0.903,455 0.888,456 1.255,457 0.472,458 1.199,459 0.761,460 0.873,461 0.919,462 1.072,463 0.662,464 1.074,465 0.944,466 0.956,467 0.983,468 1.015,469 0.846,470 1.017,471 0.675,472 0.818,473 0.855,474 0.978,475 0.639,476 0.992,477 0.763,478 0.773,479 0.921,480 1.002,481 0.702,482 1.026,483 0.909,484 0.836,485 0.989,486 0.991,487 0.907,488 1.016,489 0.872,490 0.758,491 0.924,492 0.828,493 0.777,494 0.887,495 7.5,496 0.256,497 3.556,498 1.917,499 1.37,500 0.913,501 0.535,502 0.465,503 0.237,504 0.198,505 15494,506 58110,507 1.919,508 47.5,509 8,510 15,513 3,514 2,516 1,517 1.74,518 1.77,519 3.856,520 0.884,522 1,525 96.587,526 1.583,527 3.68,528 4.943,529 5.558,530 5.623,531 5.623,532 3.371,533 4.664,534 4.966,535 4.131,536 2049.16,537 8.661,538 33632.1,542 361.775,543 1.6,544 4.904,545 0.227,546 0.008,547 0.081,548 0.047,549 0.037,550 0.025,551 0.016,552 0.015,553 0.007,554 0.007,555 0.469,556 0.33,557 0.88,558 1.98,559 175.004,560 -0.075,561 -0.001,562 -0.009,563 0.021,564 -0.108,565 0.031,566 0.217,567 0.161,568 -0.006,569 -0.123,570 0.31,571 -0.154,572 -0.005,573 -0.111,574 -0.011,575 -0.072,576 0.007,577 -0.057,578 -0.099,579 -0.069,580 -0.029,581 -0.037,582 -0.06,583 -0.013,584 0.127,585 0.001,586 0.087,587 -0.005,588 0.078,589 0.017,590 -0.027,591 -0.037,592 0.001,593 -0.032,594 -0.038,595 -0.011,596 -0.067,597 -0.031,598 -0.031,599 -0.04,600 -0.076,601 -0.023,602 0.068,603 0.044,604 0.067,605 0.094,606 0.1,607 0.08,608 5.72,609 4.748,610 0.344,611 44.441,612 1.027,613 1.146,614 2.685,615 7.207,616 0.618,617 3.526,618 3.807,619 3.912,620 4.043,621 4.143,622 4.094,623 4.143,624 4.094,625 4.06,626 4.143,627 9.236,628 0.604,629 458.52,630 3.526,631 5.043,632 5.832,633 6.676,634 7.489,635 8.336,636 9.163,637 10.012,638 10.848,639 11.699,651 4,656 2,658 6,668 1,670 61,671 9,672 1,673 33,675 62,676 23,677 6,678 2,679 4,681 2,682 2,685 1,688 2,689 1,690 1,691 8,693 11,694 12,695 1,696 3,698 1,699 4,701 1,704 1,705 3,707 29,708 9,709 3,710 9,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,754 3,756 32,759 3,760 7,762 2,764 4,766 1,772 3,773 9.8,774 2,775 1,776 1,777 1,778 1,779 18.083,780 10.029,781 7.139,782 3.589,785 1.923,786 1.271,787 0.85,788 10.561,789 9.014,790 3.689,791 4.103,792 4.41,793 4.755,794 5.126,795 5.122,796 5.288,797 5.177,798 5.34,799 5.563,800 1,801 41,802 12.402,803 5.704,804 8.44,805 21.787,806 17.532,807 2.94,808 94.083,811 1,812 306.049,813 114.766,816 175.195,817 44.88,819 114.766,820 481.243,821 44.88,823 21.857,824 161.177,825 79.738,826 64.309,828 306.049,829 7.76,830 306.049,831 114.766,832 220.075,835 294.278,836 135.48,837 96.367,839 29.617,840 47.244,841 37.905,843 350.929,844 175.195,845 114.766,848 313.808,849 31.196,850 75.81,852 220.075,853 306.049,854 220.075,855 114.766,857 0.575,858 0.3,859 0.143,860 0.076,861 16,862 9,863 0.194,864 12,866 1,867 4.42,868 250.077,870 11,871 155.245,874 26.241,875 12.879,876 9.574,878 220.075,879 4.436,884 -0.818,886 128.05,887 640.89,888 39,890 10.458,891 6.845,893 -0.835,895 62.64,896 69.919,897 0.267,898 0.62,899 0.833,900 0.937,901 0.948,902 0.948,903 4.931,904 1.578,905 5.832,906 4.439,907 4.489,908 4.787,909 3.547,910 6.6,911 4.365,912 6.09,913 1.461,914 7.378,915 3.878,916 4.205,917 4.477,918 4.06,919 7.711,920 3.889,921 7.361,922 1.119,923 9.044,924 3.309,925 6.089,926 6.694,927 5.591,928 10.67,929 5.813,930 8.665,931 1.075,932 10.787,933 2.564,934 6.621,935 7.147,936 6.762,937 12.644,938 6.124,939 10.002,940 0.8,941 12.582,942 2.337,943 8.036,944 8.914,945 8.115,946 15.221,947 7.552,948 11.364,949 0.564,950 14.415,951 1.856,952 8.931,953 9.743,954 9.418,955 17.496,956 8.243,957 12.745,958 0.365,959 16.276,960 1.21,961 10.18,962 11.316,963 10.755,964 19.969,965 9.46,966 3.319,967 -0.049,968 18.158,969 0.811,970 11.236,971 12.355,972 12.086,973 22.348,974 10.34,975 3.027,976 11.689,977 20.055,978 -0.107,979 12.43,980 13.831,981 13.424,982 24.795,983 11.466,984 2.528,985 10.007,986 21.964,987 3.864,988 13.555,989 14.994,990 14.762,991 27.212,992 12.438,993 2.289,994 7.154,995 23.882,996 3.102,997 14.734,998 16.417,999 16.102,1000 29.654,1001 13.525,1002 2.236,1003 6.094,1004 25.808,1005 3.079,1006 15.889,1007 17.654,1008 17.443,1009 32.088,1010 14.543,1011 1.841,1012 5.272,1013 27.739,1014 2.722,1015 17.067,1016 19.048,1017 18.784,1018 34.531,1019 15.614,1020 1.808,1021 5.184,1022 29.674,1023 2.551,1024 18.237,1025 20.329,1026 20.125,1027 36.973,1028 16.654,1029 15704,1030 30694,1031 20.86,1032 37.722,1033 49.093,1034 48.126,1035 48.91,1036 48.269,1037 48.022,1038 55.564,1039 17.883,1040 131.611,1041 44.959,1042 5.4,1043 6.461,1044 6.979,1045 5.243,1046 5.319,1047 6.864,1048 5.409,1049 18.66,1050 4.901,1051 21,1052 1.488,1053 1.458,1054 1.482,1055 1.463,1056 1.455,1057 1.684,1058 0.542,1059 3.988,1060 1.362,1061 3.963,1062 3.989,1063 3.907,1064 3.859,1065 8.513,1066 3.864,1067 3.901,1068 3.929,1069 3.816,1070 3.788,1071 7.999,1072 3.787,1073 3.752,1074 3.794,1075 3.637,1076 3.632,1077 7.999,1078 3.625,1079 3.621,1080 3.659,1081 3.514,1082 3.465,1083 7.474,1084 3.465,1085 3.516,1086 3.556,1087 3.398,1088 3.323,1089 6.453,1090 3.329,1091 3.327,1092 3.366,1093 3.329,1094 3.039,1095 6.447,1096 3.086,1097 3.236,1098 3.278,1099 3.088,1100 3.02,1101 6.351,1102 3.031,1103 3.145,1104 3.198,1105 3.005,1106 2.934,1107 4.821,1108 2.943,1109 0.135,1110 0.135,1111 0.216,1112 0.127,1113 0.101,1114 4.452,1115 0.117,1116 4.461,1117 0.116,1118 7.116,1119 0.354,1120 4.179,1121 0.088,1122 3.319,1123 3.864,1124 3.825,1125 11.689,1126 2.901,1127 1.894,1128 1.874,1129 2.03,1130 2.006,1131 1.394,1132 2.001,1133 1.825,1134 1.781,1135 1.991,1136 1.959,1137 1.176,1138 1.982,1139 1.718,1140 1.679,1141 1.908,1142 1.869,1143 1.098,1144 1.881,1145 1.599,1146 1.556,1147 1.815,1148 1.793,1149 1.041,1150 1.798,1151 1.433,1152 1.387,1153 1.682,1154 1.663,1155 0.981,1156 1.665,1157 1.308,1158 1.271,1159 1.558,1160 1.586,1161 0.796,1162 1.571,1163 1.151,1164 1.106,1165 1.417,1166 1.438,1167 0.59,1168 1.4,1169 1.085,1170 1.046,1171 1.225,1172 1.385,1173 0.363,1174 1.33,1175 4.205,1177 5.493,1178 2.398,1179 6.94,1180 4.727,1181 8.465,1182 6.783,1183 10.038,1187 38.244,1189 28.824,1190 2.779,1192 10.827,1194 -2.206,1196 -4.47,1199 36.867,1200 96.587,1201 224.452,1202 301.51,1203 339.02,1204 343.02,1205 343.02,1206 137.568,1207 7.091,1208 96.22,1209 96.22,1210 11,1211 12.26,1212 3.322,1213 2.807,1214 77.418,1215 176,1216 187,1217 0.207,1218 226.615,1219 425.95,1220 544.701,1221 13053,1222 4.9,1223 23.562,1224 0.736,1225 0.549,1226 21.062,1227 17.578,1228 15.164,1229 0.46,1230 0.318,1231 10.285,1232 14.327,1233 10.187,1234 8.342,1235 13.952,1236 10.494,1237 14.073,1238 0.32,1239 0.174,1240 12.115,1241 7.653,1242 9.754,1243 0.199,1244 0.104,1245 8.791,1246 5.08,1247 7.214,1248 0.129,1249 0.06,1250 6.696,1251 3.382,1252 5.485,1253 0.088,1254 0.035,1255 4.856,1256 2.141,1257 0.342,1258 97.358,1259 0.219,1260 31.138,1261 0.522,1262 154,1263 703.989,1264 186.739,1265 574.941,1266 716.14,1267 530,1268 170,1269 459.212,1270 194.65,1271 437.519,1272 652.86,1273 410,1274 7.174}
{0 CHEMBL186192,1 1.583,2 15.5,3 3.875,4 15.019,5 113.754,6 7.517,7 0.182,8 4.193,9 4.292,10 3.712,11 3.638,12 5.354,13 3.639,14 4.773,15 4.92,16 4.115,17 4.006,18 6.321,19 3.985,20 5.054,21 5.265,22 4.054,23 4.122,24 6.221,25 4.052,26 5.078,27 5.317,28 3.965,29 4.073,30 6.2,31 3.996,32 5.001,33 5.233,34 3.98,35 4.012,36 6.236,37 3.936,38 4.953,39 5.178,40 3.869,41 3.992,42 6.039,43 3.91,44 4.995,45 5.23,46 3.845,47 3.966,48 6.138,49 3.884,50 4.967,51 5.21,52 3.865,53 3.892,54 6.304,55 3.818,56 0.251,57 0.965,58 12.685,59 6.523,60 51.239,61 7.463,62 1.137,63 1.828,64 26.258,65 10.417,66 195.586,67 12.597,68 1.152,69 1.678,70 37.268,71 12.719,72 139.77,73 16.751,74 1.194,75 1.749,76 39.995,77 12.73,78 162.29,79 16.703,80 1.399,81 1.515,82 36.993,83 11.709,84 159.453,85 15.785,86 1.049,87 1.421,88 34.388,89 11.291,90 148.807,91 15.092,92 1.188,93 1.46,94 36.869,95 11.391,96 187.68,97 15.193,98 1.533,99 1.377,100 37.194,101 10.644,102 217.555,103 14.454,104 61,105 44,106 0.26,107 0.604,108 0.807,109 0.902,110 0.924,111 0.924,112 3.501,113 0.954,114 -3.91,115 -3.87,116 -3.67,118 37.7,120 5,121 1,124 2,125 3,127 1,129 4,133 4,134 1,135 1,145 1,150 1,153 1,154 12,155 1,158 5,160 1,162 3,164 11,165 1,167 6,168 2,170 3,171 9,172 1,175 4,179 3,180 6,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 5,202 8,203 1,206 3,209 1,210 4,211 6,212 1,215 5,217 1,219 3,222 5,223 1,226 5,230 3,233 6,236 2134,237 20.714,238 20.714,239 20.714,240 20.714,241 20.714,242 19.408,243 24.596,244 12.582,245 21.28,246 16.295,247 16.295,248 16.295,249 16.295,250 16.295,251 14.279,252 25.392,253 6.029,254 17.333,255 4.347,256 2.251,257 1.021,258 0.439,259 0.307,260 0.307,261 4.165,265 1,266 1,267 1002,268 5.05,270 112.363,271 127.869,277 2.875,278 64.682,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 74.5,289 496,290 4.452,291 4.461,292 7.116,293 4.179,294 3.319,295 3.864,296 3.825,297 11.689,298 2.901,299 4.057,300 3.596,301 6.471,302 3.986,303 3.027,304 3.107,305 2.341,306 10.007,307 2.886,308 3.796,309 3.358,310 5.403,311 3.444,312 2.528,313 3.082,314 1.151,315 7.154,316 2.292,317 3.551,318 2.987,319 5.066,320 3.242,321 2.289,322 2.711,323 0.86,324 6.094,325 2.223,326 3.479,327 2.702,328 4.875,329 3.237,330 2.236,331 2.559,332 0.765,333 5.272,334 2.147,335 3.177,336 2.331,337 4.659,338 2.815,339 1.841,340 2.236,342 5.184,343 1.805,344 2.964,345 2.167,346 4.498,347 2.761,348 1.808,349 2.077,351 4.439,352 1.695,353 2.849,354 1.979,355 4.14,356 2.499,357 1.578,358 1.864,360 3.878,361 1.428,362 2.571,363 1.803,364 3.761,365 2.434,366 1.461,367 1.602,369 3.309,370 1.41,371 2.537,372 1.473,373 3.5,374 2.095,375 1.119,376 1.517,378 2.564,379 1.08,380 2.254,381 1.301,382 3.312,383 2.037,384 1.075,385 1.181,387 2.337,388 1.024,389 2.152,390 1.199,391 3.281,392 1.719,393 0.8,394 0.981,395 1.856,396 0.727,397 1.645,398 1.073,399 2.908,400 1.528,401 0.564,402 0.586,403 1.21,404 0.536,405 1.577,406 0.804,407 2.763,408 1.267,409 0.365,410 0.421,411 0.811,412 0.327,413 1.145,414 0.58,415 2.701,416 0.919,417 -0.049,418 -0.055,419 -0.107,420 -0.047,421 14.357,422 0.449,423 0.922,424 0.029,425 29.25,426 0.914,427 10,428 0.313,429 19.25,430 0.602,431 33.516,432 1.047,433 39.043,434 0.64,435 26.331,436 0.823,437 5.995,438 0.187,439 9.169,440 0.287,441 0.153,442 0.035,443 0.244,444 3,447 0.739,448 1.035,449 0.786,450 1.229,451 0.735,452 1.081,453 0.647,454 0.903,455 0.888,456 1.255,457 0.473,458 1.199,459 0.761,460 0.873,461 0.919,462 1.072,463 0.662,464 1.074,465 0.943,466 0.949,467 0.974,468 1.001,469 0.851,470 1.002,471 0.692,472 0.816,473 0.848,474 0.961,475 0.691,476 0.971,477 0.807,478 0.802,479 0.954,480 1.029,481 0.768,482 1.052,483 0.923,484 0.856,485 1.013,486 1.02,487 0.882,488 1.047,489 0.829,490 0.75,491 0.895,492 0.825,493 0.701,494 0.878,495 7.5,496 0.256,497 3.556,498 1.917,499 1.37,500 0.913,501 0.535,502 0.465,503 0.237,504 0.198,505 15494,506 57822,507 1.919,508 47.5,509 8,510 15,513 3,514 2,516 1,517 1.74,518 1.77,519 3.856,520 0.884,522 1,525 96.587,526 1.583,527 3.68,528 4.91,529 5.492,530 5.623,531 5.623,532 3.371,533 4.664,534 4.966,535 4.131,536 2049.16,537 8.661,538 33632.1,542 361.775,543 1.6,544 4.904,545 0.227,546 0.008,547 0.081,548 0.047,549 0.037,550 0.025,551 0.016,552 0.015,553 0.007,554 0.007,555 0.469,556 0.33,557 0.88,558 1.98,559 175.004,560 -0.075,561 -0.001,562 -0.009,563 0.021,564 -0.108,565 0.031,566 0.217,567 0.161,568 -0.006,569 -0.123,570 0.31,571 -0.154,572 -0.005,573 -0.111,574 -0.011,575 -0.072,576 0.006,577 -0.057,578 -0.097,579 -0.064,580 -0.018,581 -0.026,582 -0.065,583 0.001,584 0.126,585 0.01,586 0.097,587 0.012,588 0.059,589 0.035,590 -0.044,591 -0.042,592 -0.034,593 -0.047,594 -0.058,595 -0.039,596 -0.074,597 -0.039,598 -0.058,599 -0.061,600 -0.064,601 -0.053,602 0.084,603 0.043,604 0.093,605 0.095,606 0.124,607 0.094,608 5.722,609 4.747,610 0.344,611 44.441,612 1.027,613 1.146,614 2.685,615 7.207,616 0.618,617 3.526,618 3.807,619 3.912,620 4.043,621 4.143,622 4.094,623 4.143,624 4.094,625 4.06,626 4.143,627 9.236,628 0.604,629 458.52,630 3.526,631 5.043,632 5.832,633 6.676,634 7.489,635 8.336,636 9.163,637 10.012,638 10.848,639 11.699,651 4,656 2,658 6,668 1,670 61,671 9,672 1,673 33,675 62,676 23,677 6,678 2,679 4,681 2,682 2,685 1,688 2,689 1,690 1,691 8,693 11,694 12,695 1,696 3,698 1,699 4,701 1,704 1,705 3,707 29,708 9,709 3,710 9,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,754 3,756 32,759 3,760 7,762 2,764 4,766 1,772 3,773 9.8,774 2,775 1,776 1,777 1,778 1,779 18.083,780 10.029,781 7.139,782 3.589,785 1.995,786 1.281,787 0.85,788 10.561,789 9.086,790 3.689,791 4.103,792 4.41,793 4.763,794 5.138,795 5.151,796 5.327,797 5.232,798 5.386,799 5.593,800 1,801 41,802 12.404,803 5.708,804 8.44,805 21.787,806 17.532,807 2.94,808 94.083,811 1,812 306.049,813 114.766,816 175.195,817 44.88,819 114.766,820 481.243,821 44.88,823 21.857,824 161.177,825 79.738,826 64.309,828 306.049,829 7.76,830 306.049,831 114.766,832 220.075,835 294.278,836 135.48,837 96.367,839 29.617,840 47.244,841 37.905,843 350.929,844 175.195,845 114.766,848 313.808,849 31.196,850 75.81,852 220.075,853 306.049,854 220.075,855 114.766,857 0.575,858 0.3,859 0.143,860 0.076,861 16,862 9,863 0.194,864 12,866 1,867 4.42,868 250.077,870 11,871 155.245,874 26.241,875 12.879,876 9.574,878 220.075,879 4.429,884 -0.822,886 128.05,887 640.89,888 39,890 10.474,891 6.948,893 -0.808,895 62.64,896 69.919,897 0.267,898 0.62,899 0.828,900 0.926,901 0.948,902 0.948,903 4.931,904 1.578,905 5.832,906 4.439,907 4.489,908 4.787,909 3.547,910 6.6,911 4.365,912 6.09,913 1.461,914 7.378,915 3.878,916 4.205,917 4.477,918 4.06,919 7.711,920 3.889,921 7.361,922 1.119,923 9.044,924 3.309,925 6.089,926 6.694,927 5.591,928 10.67,929 5.813,930 8.665,931 1.075,932 10.787,933 2.564,934 6.621,935 7.147,936 6.762,937 12.644,938 6.124,939 10.002,940 0.8,941 12.582,942 2.337,943 8.036,944 8.914,945 8.115,946 15.221,947 7.552,948 11.364,949 0.564,950 14.415,951 1.856,952 8.931,953 9.743,954 9.418,955 17.496,956 8.243,957 12.745,958 0.365,959 16.276,960 1.21,961 10.18,962 11.317,963 10.755,964 19.969,965 9.46,966 3.319,967 -0.049,968 18.158,969 0.811,970 11.236,971 12.357,972 12.086,973 22.348,974 10.34,975 3.027,976 11.689,977 20.055,978 -0.107,979 12.43,980 13.833,981 13.424,982 24.795,983 11.466,984 2.528,985 10.007,986 21.964,987 3.864,988 13.555,989 14.996,990 14.762,991 27.212,992 12.438,993 2.289,994 7.154,995 23.882,996 3.107,997 14.734,998 16.419,999 16.102,1000 29.654,1001 13.525,1002 2.236,1003 6.094,1004 25.808,1005 3.082,1006 15.889,1007 17.655,1008 17.443,1009 32.088,1010 14.543,1011 1.841,1012 5.272,1013 27.739,1014 2.711,1015 17.067,1016 19.049,1017 18.784,1018 34.531,1019 15.614,1020 1.808,1021 5.184,1022 29.674,1023 2.559,1024 18.237,1025 20.33,1026 20.125,1027 36.973,1028 16.654,1029 15704,1030 30622,1031 20.86,1032 37.722,1033 49.027,1034 48.142,1035 48.91,1036 48.269,1037 48.022,1038 55.575,1039 17.883,1040 131.611,1041 44.959,1042 5.367,1043 6.461,1044 6.979,1045 5.243,1046 5.319,1047 6.864,1048 5.409,1049 18.66,1050 4.901,1051 21,1052 1.486,1053 1.459,1054 1.482,1055 1.463,1056 1.455,1057 1.684,1058 0.542,1059 3.988,1060 1.362,1061 3.963,1062 3.988,1063 3.908,1064 3.859,1065 8.513,1066 3.864,1067 3.901,1068 3.928,1069 3.819,1070 3.79,1071 7.999,1072 3.79,1073 3.753,1074 3.8,1075 3.625,1076 3.621,1077 7.999,1078 3.613,1079 3.622,1080 3.658,1081 3.517,1082 3.468,1083 7.474,1084 3.469,1085 3.519,1086 3.553,1087 3.412,1088 3.339,1089 6.453,1090 3.346,1091 3.327,1092 3.366,1093 3.328,1094 3.036,1095 6.447,1096 3.086,1097 3.232,1098 3.277,1099 3.078,1100 3.003,1101 6.351,1102 3.013,1103 3.145,1104 3.198,1105 3.005,1106 2.934,1107 4.821,1108 2.943,1109 0.135,1110 0.135,1111 0.216,1112 0.127,1113 0.101,1114 4.452,1115 0.117,1116 4.461,1117 0.116,1118 7.116,1119 0.354,1120 4.179,1121 0.088,1122 3.319,1123 3.864,1124 3.825,1125 11.689,1126 2.901,1127 1.894,1128 1.874,1129 2.026,1130 2.006,1131 1.349,1132 2,1133 1.824,1134 1.782,1135 1.992,1136 1.956,1137 1.28,1138 1.979,1139 1.719,1140 1.676,1141 1.922,1142 1.878,1143 1.096,1144 1.892,1145 1.598,1146 1.557,1147 1.806,1148 1.789,1149 1.018,1150 1.793,1151 1.434,1152 1.391,1153 1.67,1154 1.658,1155 0.907,1156 1.657,1157 1.308,1158 1.27,1159 1.561,1160 1.588,1161 0.803,1162 1.574,1163 1.147,1164 1.101,1165 1.427,1166 1.44,1167 0.632,1168 1.406,1169 1.085,1170 1.046,1171 1.222,1172 1.386,1173 0.36,1174 1.33,1175 4.205,1177 5.493,1178 2.398,1179 6.94,1180 4.727,1181 8.465,1182 6.783,1183 10.038,1187 38.241,1189 28.82,1190 2.788,1192 10.807,1194 -2.32,1196 -4.472,1199 36.867,1200 96.587,1201 224.452,1202 299.51,1203 335.02,1204 343.02,1205 343.02,1206 137.828,1207 7.091,1208 96.22,1209 96.22,1210 11,1211 12.26,1212 3.322,1213 2.807,1214 77.418,1215 176,1216 187,1217 0.207,1218 226.615,1219 425.95,1220 544.701,1221 13053,1222 4.9,1223 23.562,1224 0.736,1225 0.549,1226 21.062,1227 17.578,1228 15.164,1229 0.46,1230 0.318,1231 10.285,1232 14.327,1233 10.186,1234 8.345,1235 13.952,1236 10.494,1237 14.073,1238 0.32,1239 0.174,1240 12.115,1241 7.665,1242 9.754,1243 0.199,1244 0.103,1245 8.791,1246 5.067,1247 7.214,1248 0.129,1249 0.059,1250 6.696,1251 3.312,1252 5.485,1253 0.088,1254 0.033,1255 4.856,1256 2.053,1257 0.342,1258 97.358,1259 0.219,1260 31.138,1261 0.522,1262 154,1263 703.989,1264 186.739,1265 574.983,1266 716.16,1267 530,1268 170,1269 459.212,1270 194.65,1271 437.619,1272 653.09,1273 410,1274 6.728}
{0 CHEMBL190497,1 1.427,2 12.459,3 6.706,4 44.976,5 141.268,6 7.383,7 0.548,8 4.308,9 4.409,10 3.879,11 3.893,12 5.374,13 3.869,14 4.868,15 5.016,16 4.257,17 4.309,18 5.934,19 4.262,20 5.164,21 5.369,22 4.322,23 4.452,24 6.125,25 4.371,26 5.199,27 5.4,28 4.378,29 4.487,30 6.1,31 4.419,32 5.284,33 5.48,34 4.424,35 4.58,36 6.216,37 4.504,38 5.347,39 5.555,40 4.412,41 4.621,42 6.266,43 4.522,44 5.386,45 5.611,46 4.366,47 4.593,48 6.308,49 4.488,50 5.343,51 5.576,52 4.226,53 4.544,54 6.253,55 4.409,56 0.026,57 0.888,58 13.633,59 6.558,60 10.12,61 8.185,62 0.27,63 1.54,64 26.058,65 11.091,66 44.579,67 14.363,68 0.598,69 2.009,70 38.6,71 14.935,72 65.135,73 19.953,74 0.322,75 2.093,76 39.526,77 15.229,78 42.005,79 20.144,80 0.5,81 2.268,82 43.174,83 16.486,84 51.38,85 21.521,86 0.343,87 2.392,88 45.934,89 18.492,90 53.955,91 24.606,92 0.485,93 2.457,94 49.559,95 18.813,96 72.95,97 25.118,98 0.756,99 2.321,100 48.151,101 18.545,102 82.688,103 25.048,104 8,105 59,106 0.223,107 0.541,108 0.692,109 0.809,110 0.859,111 0.873,112 3.643,113 0.93,114 -5.83,115 -5.69,116 -5.3,118 46.3,120 5,124 2,125 2,133 13,134 4,135 1,137 1,142 1,145 1,147 1,150 1,153 1,154 20,157 1,158 8,159 1,160 1,164 20,166 3,167 14,168 1,171 14,175 14,180 12,181 2,183 1,184 16,189 2,192 18,193 3,196 15,200 3,202 20,203 2,206 12,207 1,210 2,211 22,212 1,214 3,215 5,217 1,219 1,222 24,233 27,234 2,236 2591,237 25.758,238 25.758,239 25.758,240 25.758,241 25.758,242 22.878,243 20.775,244 15.445,245 26.022,246 20.816,247 20.816,248 20.816,249 20.816,250 20.816,251 16.496,252 27.119,253 7.36,254 21.282,255 4.639,256 2.6,257 1.638,258 0.89,259 0.567,260 0.478,261 4.362,266 1,267 1024,268 3.24,270 181.364,271 401.161,275 154.293,277 1.985,278 31.397,280 0.75,281 0.5,282 1,283 0.8,284 0.5,285 1,286 1,287 0.79,288 79,289 461,290 4.564,291 3.636,292 6.918,293 4.255,294 3.287,295 4.264,296 2.423,297 11.661,298 3.189,299 4.459,300 3.577,301 6.737,302 4.14,303 3.156,304 4.068,305 0.995,306 11.033,307 3.105,308 4.062,309 3.286,310 6.456,311 3.848,312 2.883,313 3.473,314 0.922,315 9.99,316 2.778,317 3.909,318 3.08,319 5.843,320 3.508,321 2.511,322 3.351,323 0.359,324 7.944,325 2.504,326 3.675,327 2.711,328 5.763,329 3.378,330 2.417,331 2.975,333 7.796,334 2.314,335 3.532,336 2.511,337 5.173,338 3.171,339 2.186,340 2.728,342 6.005,343 2.128,344 3.369,345 2.229,346 4.741,347 2.986,348 2.003,349 2.614,351 5.148,352 1.963,353 3.06,354 1.928,355 4.629,356 2.698,357 1.724,358 2.218,360 4.727,361 1.674,362 2.967,363 1.775,364 4.386,365 2.618,366 1.618,367 2.164,369 3.896,370 1.618,371 2.947,372 1.63,373 4.118,374 2.519,375 1.524,376 2.112,378 3.73,379 1.516,380 2.644,381 1.524,382 4,383 2.42,384 1.443,385 1.675,387 3.42,388 1.405,389 2.5,390 1.337,391 3.736,392 2.175,393 1.185,394 1.5,395 2.705,396 1.17,397 2.5,398 1.186,399 3.49,400 2.095,401 1.103,402 1.5,403 2.559,404 1.093,405 2.49,406 1.145,407 3.447,408 2,409 1,410 1.487,411 2.136,412 1,413 2.326,414 1,415 3.437,416 2,417 1,418 1.312,419 2.136,420 1,421 17.633,422 0.477,423 0.743,424 0.02,425 47.75,426 1.291,427 24,428 0.649,429 23.75,430 0.642,431 35.689,432 0.965,433 38.767,434 0.579,435 38.317,436 1.036,437 9.205,438 0.249,439 8.982,440 0.243,441 0.038,443 0.335,447 0.803,448 1.16,449 0.778,450 1.028,451 0.702,452 0.921,453 0.789,454 1.166,455 0.911,456 1.065,457 0.472,458 1.01,459 0.841,460 0.969,461 0.936,462 0.931,463 0.722,464 0.94,465 1.063,466 1.111,467 0.951,468 0.989,469 0.521,470 0.953,471 1.19,472 0.997,473 1.076,474 0.954,475 0.666,476 0.983,477 0.938,478 1.132,479 1.04,480 1.099,481 0.767,482 1.085,483 1.096,484 1.028,485 1.058,486 1.004,487 1.028,488 1.017,489 0.908,490 0.917,491 1.101,492 0.972,493 1.037,494 1.051,495 5,496 0.233,497 4,498 2.028,499 1.929,500 1.348,501 0.721,502 0.609,503 0.422,504 0.244,505 20750,506 51713,507 2.197,508 44.8,509 4,510 19,513 1,515 6,517 1.786,518 2.114,519 3.589,520 -0.445,525 95.641,526 1.427,527 3.466,528 4.428,529 5.176,530 5.499,531 5.588,532 3.08,533 4.507,534 5.179,535 3.772,536 2512.17,537 9.146,538 39426.8,542 406.428,543 1.181,544 5.165,545 0.119,546 0.006,547 0.068,548 0.033,549 0.03,550 0.02,551 0.011,552 0.01,553 0.008,554 0.005,555 0.309,556 0.17,557 0.63,558 0.791,559 200.907,560 -0.026,561 -0.076,562 0.06,563 -0.005,564 -0.033,565 0.031,566 0.101,567 -0.09,568 -0.01,569 -0.076,570 0.171,571 -0.062,572 0.131,573 0.063,574 0.034,575 0.042,576 0.068,577 0.026,578 -0.075,579 -0.071,580 0.017,581 -0.02,582 -0.005,583 0.007,584 -0.129,585 0.048,586 -0.106,587 0.012,588 -0.037,589 -0.032,590 -0.066,591 -0.126,592 -0.083,593 -0.112,594 -0.021,595 -0.102,596 -0.105,597 -0.027,598 -0.067,599 -0.031,600 -0.091,601 -0.04,602 0.029,603 0.063,604 -0.11,605 0.01,606 -0.086,607 -0.059,608 2.628,609 4.098,610 0.865,611 40.354,612 0.998,613 1.114,614 4.6,615 21.157,616 0.679,617 3.761,618 4.094,619 4.431,620 4.771,621 5.037,622 5.193,623 5.412,624 5.602,625 5.765,626 5.861,627 7.412,628 0.646,629 494.63,630 3.761,631 5.313,632 6.188,633 7.086,634 7.984,635 8.893,636 9.803,637 10.717,638 11.632,639 12.551,640 3,641 1,647 1,651 13,652 1,654 1,656 8,658 23,668 1,670 67,671 24,672 3,673 42,675 72,676 31,677 21,678 5,679 13,681 6,682 7,688 7,691 7,693 22,694 9,696 1,698 1,701 1,707 30,708 6,709 1,710 6,714 2,717 0.833,718 4,721 1,728 1,730 2,731 4,735 1,739 1,744 1,746 1,748 5,756 37,759 1,760 7,762 1,764 2,765 1,773 6,775 1,776 1,778 2,779 17.5,780 11.85,781 8.083,782 4.307,785 3.416,786 1.384,787 0.996,788 6.819,789 12.319,790 4.016,791 4.593,792 5.177,793 5.777,794 6.299,795 6.59,796 7.031,797 7.428,798 7.801,799 8.081,800 1,801 61,802 13.745,803 5.991,804 7.64,805 26.751,806 22.958,807 2.14,808 79.167,812 341.362,813 174.683,814 19.91,816 88.336,819 174.683,820 429.697,821 19.91,823 19.371,824 123.191,825 90.544,826 44.374,827 5.449,828 341.362,830 341.362,831 194.593,832 88.336,835 270.735,836 158.962,839 30.272,840 147.536,841 16.786,843 341.362,844 108.245,845 174.683,848 341.362,849 51.492,850 126.316,852 105.121,853 341.362,854 108.245,855 174.683,857 0.575,858 0.339,859 0.199,860 0.113,861 30,862 12,863 0.097,864 7,865 1,866 1.063,867 4.652,868 387.692,869 0.063,870 32,871 182.75,874 23.964,875 10.529,876 4.817,878 108.245,879 26.468,880 5.108,882 6.594,884 7.572,886 42.683,887 624.29,888 54.5,890 11.098,893 -0.961,895 66.883,896 74.647,897 0.235,898 0.571,899 0.73,900 0.853,901 0.907,902 0.921,903 5.261,904 1.724,905 6.163,906 5.148,907 4.779,908 5.281,909 2.657,910 7.011,911 4.733,912 6.445,913 1.618,914 7.734,915 4.727,916 4.29,917 4.934,918 2.283,919 7.991,920 4.213,921 7.742,922 1.524,923 9.413,924 3.896,925 6.389,926 7.411,927 3.867,928 11.161,929 6.293,930 9.076,931 1.443,932 11.161,933 3.73,934 6.804,935 7.948,936 4.248,937 13.023,938 6.67,939 10.447,940 1.185,941 12.953,942 3.42,943 8.321,944 9.856,945 5.442,946 15.695,947 8.174,948 11.845,949 1.103,950 14.775,951 2.705,952 9.146,953 10.817,954 6.113,955 17.889,956 8.962,957 13.263,958 1,959 16.619,960 2.559,961 10.438,962 12.477,963 7.139,964 20.401,965 10.238,966 3.287,967 1,968 18.478,969 2.136,970 11.452,971 13.659,972 7.928,973 22.729,974 11.217,975 3.156,976 11.661,977 20.348,978 2.136,979 12.657,980 15.199,981 8.878,982 25.185,983 12.404,984 2.883,985 11.033,986 22.226,987 4.264,988 13.755,989 16.499,990 9.719,991 27.569,992 13.47,993 2.511,994 9.99,995 24.112,996 4.068,997 14.93,998 17.982,999 10.635,1000 30.007,1001 14.623,1002 2.417,1003 7.944,1004 26.002,1005 3.473,1006 16.065,1007 19.344,1008 11.499,1009 32.417,1010 15.73,1011 2.186,1012 7.796,1013 27.897,1014 3.351,1015 17.232,1016 20.801,1017 12.399,1018 34.851,1019 16.873,1020 2.003,1021 6.005,1022 29.796,1023 2.975,1024 18.385,1025 22.196,1026 13.274,1027 37.274,1028 17.998,1029 19185,1030 30438,1031 29.126,1032 45.489,1033 64.095,1034 64.555,1035 64.678,1036 63.663,1037 63.679,1038 81.602,1039 9.397,1040 184.256,1041 62.232,1042 5.536,1043 5.636,1044 6.72,1045 5.308,1046 5.287,1047 7.264,1048 4.104,1049 19.331,1050 5.189,1051 12.296,1052 1.526,1053 1.537,1054 1.54,1055 1.516,1056 1.516,1057 1.943,1058 0.224,1059 4.387,1060 1.482,1061 4.099,1062 4.127,1063 4.054,1064 3.997,1065 7.474,1066 4.004,1067 3.994,1068 4.015,1069 3.943,1070 3.922,1071 6.351,1072 3.923,1073 3.842,1074 3.873,1075 3.769,1076 3.789,1077 5.143,1078 3.78,1079 3.811,1080 3.858,1081 3.72,1082 3.683,1083 4.82,1084 3.686,1085 3.582,1086 3.609,1087 3.507,1088 3.411,1089 4.721,1090 3.423,1091 3.541,1092 3.572,1093 3.455,1094 3.362,1095 4.683,1096 3.364,1097 3.465,1098 3.501,1099 3.323,1100 3.247,1101 4.349,1102 3.283,1103 3.115,1104 3.181,1105 2.977,1106 2.964,1107 4.206,1108 2.956,1109 0.109,1110 0.087,1111 0.165,1112 0.101,1113 0.078,1114 4.564,1115 0.102,1116 3.636,1117 0.058,1118 6.918,1119 0.278,1120 4.255,1121 0.076,1122 3.287,1123 4.264,1124 2.423,1125 11.661,1126 3.189,1127 1.997,1128 1.971,1129 2.118,1130 2.094,1131 1.45,1132 2.102,1133 1.942,1134 1.92,1135 2.045,1136 2.015,1137 1.22,1138 2.026,1139 1.861,1140 1.833,1141 1.988,1142 1.943,1143 1.136,1144 1.959,1145 1.618,1146 1.571,1147 1.856,1148 1.799,1149 1.047,1150 1.805,1151 1.574,1152 1.519,1153 1.775,1154 1.764,1155 1.009,1156 1.771,1157 1.441,1158 1.376,1159 1.667,1160 1.676,1161 0.935,1162 1.669,1163 1.377,1164 1.359,1165 1.576,1166 1.625,1167 0.702,1168 1.623,1169 1.269,1170 1.249,1171 1.365,1172 1.41,1173 0.653,1174 1.393,1175 4.443,1177 5.771,1178 3.045,1179 7.302,1180 5.352,1181 8.928,1182 7.434,1183 10.607,1189 9.103,1190 5.69,1192 5.656,1194 0.302,1195 2.536,1199 43.277,1200 95.641,1201 232.217,1202 296.671,1203 346.776,1204 368.428,1205 374.428,1206 59.26,1207 8.903,1208 75.8,1209 75.8,1210 34,1211 13.061,1212 4.644,1213 3.755,1214 50.78,1215 163,1216 182,1217 0.151,1218 258.217,1219 452.58,1220 621.811,1221 104085,1223 25.192,1224 0.681,1225 0.559,1226 25.192,1227 20.676,1228 18.187,1229 0.433,1230 0.31,1231 12.892,1232 17.654,1233 12.673,1234 10.412,1235 18.187,1236 13.025,1237 16.199,1238 0.275,1239 0.166,1240 16.199,1241 9.772,1242 13.998,1243 0.169,1244 0.09,1245 13.998,1246 7.49,1247 12.453,1248 0.106,1249 0.05,1250 12.453,1251 5.893,1252 10.444,1253 0.068,1254 0.028,1255 10.444,1256 4.244,1257 0.234,1258 112.945,1259 0.185,1260 33.207,1261 0.423,1262 202,1263 540.647,1264 219.091,1265 519.47,1266 723.34,1267 490,1268 243,1269 543.028,1270 260.982,1271 545.661,1272 810.29,1273 518,1274 6}
{0 CHEMBL191638,1 1.481,2 15.674,3 7.939,4 63.02,5 169.04,6 7.85,7 0.604,8 4.406,9 4.498,10 4.129,11 4.068,12 5.477,13 4.018,14 4.94,15 5.067,16 4.42,17 4.462,18 6.146,19 4.391,20 5.234,21 5.425,22 4.485,23 4.585,24 6.267,25 4.487,26 5.281,27 5.479,28 4.547,29 4.558,30 6.466,31 4.475,32 5.274,33 5.454,34 4.56,35 4.58,36 6.429,37 4.519,38 5.272,39 5.44,40 4.518,41 4.638,42 6.413,43 4.561,44 5.31,45 5.492,46 4.485,47 4.691,48 6.362,49 4.589,50 5.393,51 5.597,52 4.434,53 4.714,54 6.381,55 4.581,56 0.081,57 0.967,58 16.673,59 7.41,60 17.869,61 8.841,62 0.365,63 1.62,64 28.724,65 12.891,66 61.716,67 15.841,68 0.282,69 2.145,70 41.494,71 17.405,72 68.598,73 21.778,74 0.535,75 2.276,76 46.568,77 17.945,78 120.359,79 21.884,80 0.556,81 2.274,82 47.148,83 17.085,84 92.057,85 19.33,86 0.465,87 2.222,88 42.575,89 17.094,90 89.586,91 20.211,92 0.332,93 2.302,94 44.258,95 18.851,96 72.922,97 23.477,98 0.347,99 2.495,100 48.137,101 20.752,102 87.583,103 26.626,104 10,105 67,106 0.224,107 0.502,108 0.638,109 0.775,110 0.846,111 0.864,112 3.788,113 1.006,114 -6.75,115 -6.56,116 -6.08,118 48,120 4,121 1,124 1,129 1,130 1,133 19,134 5,137 1,142 1,145 1,147 1,154 32,157 2,158 5,160 3,162 1,164 35,167 14,170 3,171 24,174 2,175 22,179 4,180 16,184 21,189 4,192 27,196 15,200 2,202 40,206 12,210 2,211 46,215 7,219 2,222 44,225 2,226 5,228 2,230 1,233 38,236 4134,237 29.43,238 29.43,239 29.43,240 29.43,241 29.43,242 25.358,243 16.534,244 17.73,245 29.593,246 23.817,247 23.817,248 23.817,249 23.817,250 23.817,251 17.699,252 12.893,253 8.536,254 24.094,255 4.748,256 2.906,257 2.004,258 1.098,259 0.623,260 0.507,261 4.501,267 1489,268 4.123,270 112.389,271 737.385,277 2.441,278 45.375,280 0.5,281 0.5,282 0.5,283 0.4,284 0.5,285 0.67,286 1,287 0.58,288 91,289 674,290 4.717,291 4.512,292 6.785,293 4.209,294 3.252,295 4.502,296 1.416,297 11.226,298 3.175,299 4.575,300 3.525,301 6.769,302 4.187,303 3.223,304 4.288,305 0.98,306 11.16,307 3.039,308 4.222,309 3.306,310 6.444,311 3.928,312 2.931,313 3.793,315 9.989,316 2.916,317 4.134,318 3.068,319 6.027,320 3.767,321 2.768,322 3.554,324 8.663,325 2.745,326 3.909,327 2.666,328 5.763,329 3.508,330 2.511,331 3.473,333 7.796,334 2.504,335 3.836,336 2.531,337 5.415,338 3.407,339 2.408,340 3.398,342 7.031,343 2.406,344 3.646,345 2.511,346 5.269,347 3.29,348 2.291,349 2.991,351 6.704,352 2.283,353 3.49,354 2.151,355 5.055,356 3.056,357 2.063,358 2.871,360 5.905,361 2.046,362 3.082,363 1.898,364 4.645,365 2.748,366 1.753,367 2.242,369 4.64,370 1.743,371 2.967,372 1.754,373 4.139,374 2.519,375 1.524,376 2.164,378 3.516,379 1.516,380 2.887,381 1.651,382 4,383 2.488,384 1.486,385 2.044,387 3.42,388 1.485,389 2.855,390 1.536,391 3.941,392 2.43,393 1.431,394 1.95,395 3.16,396 1.43,397 2.624,398 1.524,399 3.628,400 2.293,401 1.288,402 1.621,403 3.02,404 1.291,405 2.545,406 1.225,407 3.594,408 2.188,409 1.193,410 1.509,411 2.82,412 1.187,413 2.5,414 1.177,415 3.478,416 2.039,417 1.032,418 1.5,419 2.465,420 1.034,421 20.967,422 0.488,423 0.981,424 0.023,425 60,426 1.395,427 34,428 0.791,429 26,430 0.605,431 38.771,432 0.902,433 43.833,434 0.584,435 52.271,436 1.216,437 11.555,438 0.269,439 9.395,440 0.218,441 0.048,442 0.04,443 0.262,447 0.537,448 1.071,449 0.793,450 1.063,451 0.61,452 0.884,453 0.527,454 1.118,455 1.004,456 1.131,457 0.53,458 1.053,459 0.96,460 1.091,461 0.884,462 1.01,463 0.993,464 1.013,465 1.122,466 1.072,467 0.93,468 0.973,469 0.786,470 0.908,471 1.777,472 0.936,473 1.148,474 0.898,475 1.279,476 0.844,477 1.497,478 0.96,479 1.09,480 0.942,481 1.369,482 0.991,483 1.007,484 1.029,485 1.049,486 1.045,487 0.988,488 1.075,489 0.891,490 1.09,491 1.015,492 1.07,493 0.998,494 1.16,495 8,496 0.267,497 4,498 3.035,499 2.288,500 1.622,501 1.029,502 0.571,503 0.497,504 0.338,505 34143,506 87242,507 2.148,508 42.7,509 9,510 22,513 1,517 1.818,518 2.056,519 3.89,520 -0.462,525 111.044,526 1.481,527 3.323,528 4.225,529 5.131,530 5.605,531 5.722,532 3.35,533 4.441,534 5.397,535 4.106,536 3707.62,537 9.558,538 68256.8,542 467.161,543 1.3,544 5.373,545 0.167,546 0.005,547 0.06,548 0.045,549 0.033,550 0.022,551 0.014,552 0.008,553 0.008,554 0.006,555 0.367,556 0.17,557 0.63,558 0.394,559 248.776,560 0.087,561 -0.031,562 0.171,563 -0.025,564 -0.096,565 0.043,566 0.299,567 -0.097,568 -0.068,569 -0.138,570 0.212,571 -0.12,572 -0.022,573 -0.107,574 0.041,575 -0.05,576 -0.069,577 -0.04,578 0.111,579 -0.049,580 0.107,581 0.013,582 0.227,583 0.052,584 -0.24,585 0.126,586 -0.07,587 0.089,588 -0.073,589 0.075,590 -0.228,591 0.052,592 -0.169,593 -0.005,594 -0.144,595 -0.067,596 -0.11,597 -0.053,598 -0.154,599 -0.091,600 -0.079,601 -0.107,602 -0.085,603 -0.134,604 -0.144,605 -0.128,606 -0.114,607 -0.172,608 4.761,609 5.964,610 0.814,611 57.319,612 0.998,613 1.106,614 5.517,615 30.433,616 0.705,617 3.892,618 4.22,619 4.477,620 4.779,621 5.011,622 5.088,623 5.288,624 5.434,625 5.568,626 5.649,627 9.176,628 0.667,629 588.77,630 3.892,631 5.442,632 6.29,633 7.175,634 8.041,635 8.934,636 9.809,637 10.707,638 11.588,639 12.488,640 2.7,644 1,647 1,651 19,652 1,654 1,656 8,658 29,670 75,671 33,672 4,673 48,675 80,676 36,677 27,678 5,679 19,680 3,681 6,682 6,688 3,689 1,691 4,693 30,694 6,695 1,696 4,697 1,698 3,699 1,701 2,707 32,708 6,709 1,710 7,711 1,714 2,717 1,718 4,721 1,730 1,731 5,741 1,742 1,748 6,750 1,756 43,758 1,760 5,761 1,764 1,773 5.3,776 3,778 1,779 20.917,780 13.283,781 9.333,782 4.586,785 4.464,786 1.503,787 1.024,788 8.579,789 13.346,790 4.212,791 4.822,792 5.344,793 5.939,794 6.443,795 6.682,796 7.132,797 7.511,798 7.872,799 8.168,800 1,801 67,802 16.266,803 7.339,804 7.742,805 30.759,806 26.094,807 2.242,808 96.417,812 364.904,813 243.414,814 33.191,816 78.965,818 5.807,819 237.606,820 443.869,821 33.191,823 27.443,824 195.332,825 95.968,826 31.378,827 5.449,828 364.904,830 364.904,831 270.797,832 78.965,833 5.807,835 364.904,836 78.965,839 35.22,840 209.316,841 32.069,843 364.904,844 112.156,845 243.414,847 5.807,848 364.904,849 48.081,850 189.525,851 16.405,852 95.751,853 364.904,854 112.156,855 243.414,857 0.577,858 0.329,859 0.188,860 0.105,861 32,862 13,863 0.113,864 9,866 1,867 5.202,868 451.624,870 35,871 219.329,873 1,874 28.705,875 12.851,876 6.983,878 112.156,879 36.071,880 5.027,882 6.518,884 5.992,886 16.405,887 720.474,888 66.5,889 -3.844,890 38.29,891 2.219,893 0.427,895 74.843,896 82.982,897 0.238,898 0.533,899 0.678,900 0.824,901 0.9,902 0.919,903 5.443,904 2.063,905 6.279,906 6.704,907 4.905,908 5.511,909 1.936,910 7.101,911 4.88,912 6.662,913 1.753,914 7.838,915 5.905,916 4.511,917 5.352,919 8.138,920 4.441,921 7.983,922 1.524,923 9.506,924 4.64,925 6.532,926 7.74,927 2.388,928 11.201,929 6.463,930 9.345,931 1.486,932 11.242,933 3.516,934 6.986,935 8.427,937 13.071,938 6.859,939 10.742,940 1.431,941 13.022,942 3.42,943 8.472,944 10.281,945 2.94,946 15.679,947 8.341,948 12.165,949 1.288,950 14.831,951 3.16,952 9.306,953 11.359,955 17.864,956 9.117,957 13.609,958 1.193,959 16.66,960 3.02,961 10.583,962 12.993,963 3.558,964 20.329,965 10.38,966 3.252,967 1.032,968 18.504,969 2.82,970 11.593,971 14.266,973 22.64,974 11.335,975 3.223,976 11.226,977 20.359,978 2.465,979 12.788,980 15.807,981 4.214,982 25.06,983 12.507,984 2.931,985 11.16,986 22.223,987 4.502,988 13.879,989 17.18,991 27.424,992 13.549,993 2.768,994 9.989,995 24.093,996 4.288,997 15.046,998 18.681,999 4.889,1000 29.831,1001 14.686,1002 2.511,1003 8.663,1004 25.969,1005 3.793,1006 16.174,1007 20.107,1009 32.218,1010 15.77,1011 2.408,1012 7.796,1013 27.85,1014 3.554,1015 17.334,1016 21.594,1017 5.576,1018 34.623,1019 16.895,1020 2.291,1021 7.031,1022 29.734,1023 3.473,1024 18.48,1025 23.048,1027 37.021,1028 18,1029 31520,1030 50645,1031 32.879,1032 52.898,1033 72.614,1034 74.254,1035 72.511,1036 71.832,1037 71.764,1038 97.568,1039 4.792,1040 205.142,1041 70.981,1042 5.639,1043 6.512,1044 6.587,1045 5.25,1046 5.252,1047 7.502,1048 2.833,1049 18.402,1050 5.175,1051 15.674,1052 1.513,1053 1.547,1054 1.511,1055 1.496,1056 1.495,1057 2.033,1058 0.1,1059 4.274,1060 1.479,1061 4.105,1062 4.118,1063 4.725,1064 4.042,1065 7.717,1066 4.012,1067 4.031,1068 4.025,1069 4.045,1070 3.967,1071 7.427,1072 3.928,1073 3.936,1074 3.96,1075 3.885,1076 3.885,1077 6.999,1078 3.872,1079 3.842,1080 3.873,1081 3.785,1082 3.789,1083 5.153,1084 3.78,1085 3.832,1086 3.866,1087 3.769,1088 3.759,1089 4.748,1090 3.749,1091 3.759,1092 3.751,1093 3.74,1094 3.704,1095 4.72,1096 3.63,1097 3.58,1098 3.609,1099 3.506,1100 3.407,1101 4.7,1102 3.43,1103 3.293,1104 3.337,1105 3.224,1106 3.154,1107 4.687,1108 3.146,1109 0.098,1110 0.094,1111 0.141,1112 0.088,1113 0.068,1114 4.717,1115 0.094,1116 4.512,1117 0.03,1118 6.785,1119 0.234,1120 4.209,1121 0.066,1122 3.252,1123 4.502,1124 1.416,1125 11.226,1126 3.175,1127 1.981,1128 1.962,1129 2.114,1130 2.072,1131 1.454,1132 2.091,1133 1.942,1134 1.923,1135 2.045,1136 2.021,1137 1.238,1138 2.054,1139 1.939,1140 1.92,1141 2.033,1142 2.015,1143 1.147,1144 2.026,1145 1.864,1146 1.836,1147 1.99,1148 1.953,1149 1.136,1150 1.966,1151 1.835,1152 1.803,1153 1.979,1154 1.93,1155 1.045,1156 1.949,1157 1.62,1158 1.648,1159 1.566,1160 1.758,1161 0.876,1162 1.805,1163 1.289,1164 1.25,1165 1.495,1166 1.496,1167 0.826,1168 1.499,1169 1.273,1170 1.234,1171 1.428,1172 1.451,1173 0.62,1174 1.447,1175 4.575,1177 5.9,1178 2.398,1179 7.416,1180 4.727,1181 9.014,1182 6.862,1183 10.655,1190 3.355,1191 2.224,1194 0.139,1199 49.991,1200 111.044,1201 249.204,1202 316.867,1203 384.823,1204 420.407,1205 429.161,1206 90.619,1207 8.881,1208 89.27,1209 97.65,1210 35,1211 13.014,1212 5.087,1213 4.285,1214 63.827,1215 236,1216 262,1217 0.128,1218 305.601,1219 536.13,1220 737.425,1221 113918,1223 29.65,1224 0.69,1225 0.569,1226 29.9,1227 24.465,1228 20.949,1229 0.436,1230 0.335,1231 14.494,1232 19.802,1233 14.034,1234 11.64,1235 21.803,1236 16.101,1237 19.146,1238 0.286,1239 0.187,1240 20.432,1241 12.519,1242 15.489,1243 0.178,1244 0.102,1245 16.346,1246 8.847,1247 13.639,1248 0.116,1249 0.057,1250 14.692,1251 6.696,1252 11.006,1253 0.074,1254 0.032,1255 11.758,1256 4.706,1257 0.204,1258 137.415,1259 0.174,1260 38.211,1261 0.341,1262 230,1263 625.781,1264 278.154,1265 635.682,1266 872.05,1267 590,1268 269,1269 622.144,1270 327.646,1271 667.935,1272 972.76,1273 628,1274 5.523}
{0 CHEMBL191898,1 1.572,2 15.098,3 4.589,4 21.062,5 151.534,6 7.626,7 0.5,8 4.377,9 4.49,10 3.94,11 3.904,12 5.552,13 3.895,14 4.89,15 5.038,16 4.275,17 4.279,18 6.127,19 4.236,20 5.189,21 5.397,22 4.306,23 4.389,24 6.306,25 4.316,26 5.257,27 5.476,28 4.26,29 4.32,30 6.4,31 4.268,32 5.19,33 5.398,34 4.347,35 4.273,36 6.551,37 4.247,38 5.223,39 5.419,40 4.366,41 4.307,42 6.53,43 4.288,44 5.262,45 5.464,46 4.329,47 4.352,48 6.509,49 4.312,50 5.261,51 5.469,52 4.35,53 4.39,54 6.579,55 4.325,56 0.119,57 1.029,58 14.184,59 6.556,60 19.669,61 8.141,62 0.576,63 1.622,64 25.981,65 10.87,66 73.485,67 14.243,68 0.729,69 2.024,70 39.446,71 14.305,72 101.03,73 19.326,74 0.899,75 2.025,76 45.089,77 13.888,78 143.085,79 18.337,80 1.018,81 1.912,82 41.547,83 13.031,84 184.406,85 17.371,86 1.065,87 1.984,88 42.693,89 12.909,90 153.372,91 16.528,92 1.043,93 2.025,94 44.746,95 14.03,96 164.171,97 18.003,98 1.162,99 2.057,100 44.232,101 15.04,102 200.802,103 20.088,104 27,105 58,106 0.242,107 0.558,108 0.717,109 0.833,110 0.88,111 0.892,112 3.741,113 0.906,114 -3.38,115 -3.36,116 -3.22,118 42.5,120 3,124 2,125 2,133 15,134 3,142 2,145 3,146 1,150 1,153 1,154 19,157 1,158 1,160 5,162 6,163 1,164 19,165 1,167 5,168 3,169 3,170 8,171 12,172 1,175 10,176 1,179 7,180 2,181 2,183 2,184 11,187 2,188 1,189 10,190 1,192 2,193 3,196 10,198 3,199 3,200 11,202 5,203 2,206 7,207 1,208 3,210 6,211 9,214 3,215 4,217 3,218 1,219 7,220 2,222 13,223 1,225 2,226 5,228 2,229 2,230 8,233 10,234 1,236 4689,237 27.689,238 27.689,239 27.689,240 27.689,241 27.689,242 24.491,243 22.206,244 16.912,245 27.979,246 21.76,247 21.76,248 21.76,249 21.76,250 21.76,251 16.924,252 20.871,253 8.123,254 22.179,255 4.618,256 2.561,257 1.525,258 0.767,259 0.466,260 0.384,261 4.434,266 1,267 1321,268 5.431,270 115.012,271 508.228,274 221.886,277 2.051,278 57.495,280 0.75,281 0.5,282 0.67,283 0.7,284 0.5,285 0.5,287 0.52,288 90,289 619,290 4.498,291 3.829,292 6.351,293 4.036,294 3.055,295 4.425,296 2.376,297 9.784,298 2.993,299 4.083,300 3.681,301 6.138,302 3.877,303 2.893,304 3.472,305 2.204,306 9.002,307 2.836,308 3.95,309 3.644,310 5.913,311 3.677,312 2.686,313 3.448,314 1.955,315 8.261,316 2.656,317 3.91,318 3.52,319 5.723,320 3.534,321 2.559,322 3.309,323 1.058,324 7.529,325 2.501,326 3.803,327 2.884,328 5.363,329 3.426,330 2.421,331 3.121,332 0.814,333 7.026,334 2.425,335 3.673,336 2.76,337 5.26,338 3.336,339 2.337,340 2.875,341 0.313,342 6.599,343 2.326,344 3.628,345 2.733,346 4.995,347 3.258,348 2.296,349 2.815,350 0.141,351 5.985,352 2.171,353 3.032,354 2.195,355 4.414,356 2.624,357 1.634,358 2.298,359 0.058,360 4.312,361 1.606,362 3.016,363 1.99,364 4.341,365 2.521,366 1.532,367 2.216,369 4.083,370 1.515,371 2.921,372 1.782,373 3.971,374 2.505,375 1.524,376 2.082,378 3.396,379 1.49,380 2.917,381 1.751,382 3.729,383 2.487,384 1.487,385 2.077,387 3.18,388 1.482,389 2.784,390 1.658,391 3.646,392 2.469,393 1.47,394 1.791,395 3.133,396 1.464,397 2.574,398 1.532,399 3.585,400 2.238,401 1.268,402 1.546,403 2.869,404 1.221,405 2.5,406 1.491,407 3.513,408 2.02,409 1.026,410 1.5,411 2.54,412 1.006,413 2.5,414 1.309,415 3.349,416 2,417 1,418 1.5,419 2.136,420 1,421 19.1,422 0.466,423 0.873,424 0.021,425 51.75,426 1.262,427 26,428 0.634,429 25.75,430 0.628,431 36.935,432 0.901,433 44.5,434 0.61,435 47.842,436 1.167,437 10.804,438 0.264,439 9.081,440 0.221,441 0.087,443 0.288,447 0.776,448 1.204,449 0.791,450 1.032,451 0.621,452 0.924,453 0.537,454 1.232,455 0.916,456 1.155,457 0.478,458 1.121,459 0.818,460 1.067,461 0.996,462 1.087,463 0.855,464 1.079,465 1.436,466 1.01,467 1.128,468 0.94,469 1.39,470 0.957,471 1.152,472 1.056,473 0.928,474 0.952,475 1.079,476 0.898,477 1.506,478 0.978,479 1.118,480 0.922,481 1.598,482 0.933,483 1.498,484 0.976,485 1.156,486 0.937,487 1.655,488 0.967,489 0.949,490 1.017,491 0.995,492 1.003,493 1.02,494 1.01,495 7.5,496 0.324,497 3.778,498 2.042,499 2.249,500 1.097,501 0.897,502 0.774,503 0.392,504 0.425,505 29759,506 84491,507 2.049,508 43.8,510 21,513 5,515 6,517 1.811,518 1.937,519 3.836,520 2.135,525 114.767,526 1.572,527 3.628,528 4.664,529 5.423,530 5.724,531 5.806,532 3.199,533 4.87,534 5.325,535 4.058,536 3327.8,537 9.443,538 62599.9,542 451.857,543 1.315,544 5.297,545 0.17,546 0.006,547 0.065,548 0.036,549 0.042,550 0.019,551 0.015,552 0.014,553 0.007,554 0.007,555 0.382,556 0.17,557 0.75,558 0.632,559 236.001,560 -0.086,561 -0.011,562 0.012,563 0.035,564 -0.061,565 0.046,566 0.231,567 -0.107,568 -0.052,569 -0.121,570 0.136,571 -0.147,572 0.051,573 -0.036,574 -0.04,575 -0.101,576 -0.031,577 -0.096,578 -0.228,579 -0.025,580 -0.092,581 -0.002,582 -0.192,583 -0.012,584 0.072,585 -0.063,586 0.104,587 -0.011,588 0.171,589 0.044,590 -0.135,591 0.045,592 -0.079,593 -0.001,594 -0.136,595 -0.026,596 -0.187,597 0.014,598 -0.121,599 0.007,600 -0.202,601 -0.035,602 0.144,603 -0.037,604 0.009,605 -0.029,606 0.143,607 -0.038,608 2.856,609 6.263,610 0.512,611 56.991,612 1.01,613 1.124,614 2.151,615 4.629,616 0.663,617 3.807,618 4.078,619 4.277,620 4.466,621 4.654,622 4.605,623 4.663,624 4.779,625 4.745,626 4.736,627 9.218,628 0.64,629 556.67,630 3.807,631 5.323,632 6.138,633 6.98,634 7.814,635 8.66,636 9.503,637 10.353,638 11.201,639 12.054,640 5.5,644 3,645 1,650 2,651 15,653 1,656 3,658 22,661 1,670 73,671 26,672 3,673 44,675 76,676 31,677 20,678 4,679 14,680 1,681 4,682 5,691 5,693 24,694 7,696 4,698 4,701 4,707 32,708 9,709 5,710 10,714 4,717 0.75,718 6,727 1,730 1,731 3,734 1,737 1,739 1,745 1,746 1,748 3,756 41,759 1,760 5,761 3,762 1,764 2,773 8.2,775 1,776 4,778 1,779 21.167,780 12.45,781 9.194,782 4.21,785 2.657,786 1.345,787 0.953,788 10.94,789 10.349,790 4.094,791 4.618,792 5.096,793 5.593,794 6.077,795 6.157,796 6.41,797 6.75,798 6.634,799 6.604,800 0.9,801 57,802 15.342,803 6.626,804 8.004,805 28.377,806 22.835,807 2.504,808 102.667,812 317.82,813 187.372,814 70.818,816 154.263,819 187.372,820 472.083,821 70.818,823 68.334,824 142.144,825 153.582,826 36.73,827 11.663,828 317.82,830 317.82,831 258.19,832 154.263,835 247.193,836 224.89,839 85.119,840 173.07,843 317.82,844 225.081,845 187.372,848 317.82,849 45.228,850 142.144,851 70.818,852 154.263,853 317.82,854 225.081,855 187.372,857 0.569,858 0.32,859 0.165,860 0.093,861 23,862 11,863 0.184,864 14,865 1,866 1.095,867 5.156,868 382.722,869 0.095,870 21,871 211.66,874 29.843,875 15.029,876 9.202,877 1.608,878 208.295,879 27.263,881 3.03,884 1.866,886 113.501,887 730.273,888 59,890 50.357,893 -2.938,895 73.741,896 82.062,897 0.254,898 0.586,899 0.754,900 0.876,901 0.925,902 0.938,903 5.301,904 1.634,905 6.089,906 5.985,907 4.762,908 5.306,909 3.355,910 6.819,911 4.725,912 6.473,913 1.532,914 7.598,915 4.312,916 4.205,917 4.956,918 2.906,919 7.548,920 4.167,921 7.746,922 1.524,923 9.207,924 4.083,925 6.279,926 7.401,927 4.572,928 10.613,929 6.202,930 9.051,931 1.487,932 10.875,933 3.396,934 6.553,935 7.898,936 4.801,937 12.184,938 6.471,939 10.387,940 1.47,941 12.581,942 3.18,943 8.064,944 9.813,945 6.022,946 14.732,947 7.951,948 11.746,949 1.268,950 14.313,951 3.133,952 8.733,953 10.748,954 6.544,955 16.66,956 8.609,957 13.123,958 1.026,959 16.064,960 2.869,961 10,962 12.43,963 7.573,964 19.019,965 9.851,966 3.055,967 1,968 17.829,969 2.54,970 10.87,971 13.613,972 8.242,973 21.112,974 10.705,975 2.893,976 9.784,977 19.604,978 2.136,979 12.027,980 15.183,981 9.178,982 23.399,983 11.84,984 2.686,985 9.002,986 21.387,987 4.425,988 13,989 16.508,990 9.925,991 25.573,992 12.794,993 2.559,994 8.261,995 23.176,996 3.472,997 14.11,998 18.026,999 10.816,1000 27.835,1001 13.884,1002 2.421,1003 7.529,1004 24.971,1005 3.448,1006 15.138,1007 19.428,1008 11.606,1009 30.049,1010 14.891,1011 2.337,1012 7.026,1013 26.77,1014 3.309,1015 16.231,1016 20.924,1017 12.475,1018 32.305,1019 15.963,1020 2.296,1021 6.599,1022 28.573,1023 3.121,1024 17.288,1025 22.366,1026 13.29,1027 34.541,1028 16.999,1029 28335,1030 47931,1031 29.413,1032 48.409,1033 65.138,1034 67.101,1035 65.614,1036 64.227,1037 64.279,1038 84.339,1039 17.836,1040 173.168,1041 63.122,1042 5.472,1043 5.829,1044 6.153,1045 5.102,1046 5.055,1047 7.425,1048 4.124,1049 16.459,1050 4.993,1051 19.481,1052 1.48,1053 1.525,1054 1.491,1055 1.46,1056 1.461,1057 1.917,1058 0.405,1059 3.936,1060 1.435,1061 4.128,1062 4.162,1063 4.087,1064 4.037,1065 7.475,1066 4.044,1067 3.948,1068 3.981,1069 3.873,1070 3.875,1071 7.436,1072 3.868,1073 3.904,1074 3.934,1075 3.831,1076 3.84,1077 7.431,1078 3.833,1079 3.796,1080 3.845,1081 3.71,1082 3.632,1083 7.424,1084 3.641,1085 3.63,1086 3.676,1087 3.544,1088 3.42,1089 6.351,1090 3.438,1091 3.553,1092 3.588,1093 3.489,1094 3.368,1095 4.955,1096 3.384,1097 3.438,1098 3.469,1099 3.36,1100 3.217,1101 4.778,1102 3.251,1103 3.279,1104 3.318,1105 3.162,1106 3.058,1107 4.746,1108 3.072,1109 0.102,1110 0.087,1111 0.144,1112 0.092,1113 0.069,1114 4.498,1115 0.101,1116 3.829,1117 0.054,1118 6.351,1119 0.222,1120 4.036,1121 0.068,1122 3.055,1123 4.425,1124 2.376,1125 9.784,1126 2.993,1127 1.927,1128 1.902,1129 2.055,1130 2.027,1131 1.298,1132 2.034,1133 1.925,1134 1.895,1135 2.033,1136 2.01,1137 1.227,1138 2.017,1139 1.904,1140 1.876,1141 2.027,1142 1.996,1143 1.133,1144 2.008,1145 1.763,1146 1.713,1147 1.961,1148 1.954,1149 1.133,1150 1.957,1151 1.575,1152 1.531,1153 1.737,1154 1.807,1155 0.902,1156 1.786,1157 1.548,1158 1.506,1159 1.683,1160 1.77,1161 0.822,1162 1.744,1163 1.361,1164 1.322,1165 1.553,1166 1.633,1167 0.694,1168 1.604,1169 1.207,1170 1.162,1171 1.458,1172 1.47,1173 0.612,1174 1.459,1175 4.489,1177 5.771,1178 2.398,1179 7.229,1180 4.727,1181 8.763,1182 6.843,1183 10.337,1189 9.745,1190 0.859,1191 7.915,1192 5.201,1194 -2.239,1199 46.75,1200 114.767,1201 264.876,1202 340.499,1203 395.857,1204 417.857,1205 423.857,1206 119.786,1207 7.692,1208 149.62,1209 149.62,1210 23,1211 12.611,1212 4.755,1213 4,1214 75.717,1215 209,1216 271,1217 0.155,1218 288.731,1219 511.6,1220 696.262,1221 24896,1223 29.029,1224 0.708,1225 0.545,1226 29.029,1227 22.339,1228 19.885,1229 0.452,1230 0.302,1231 13.113,1232 19.161,1233 12.899,1234 10.697,1235 19.885,1236 13.291,1237 17.437,1238 0.301,1239 0.164,1240 17.437,1241 9.516,1242 13.854,1243 0.195,1244 0.091,1245 13.854,1246 6.445,1247 10.75,1248 0.125,1249 0.05,1250 10.75,1251 4.293,1252 8.812,1253 0.085,1254 0.027,1255 8.812,1256 2.837,1257 0.248,1258 124.784,1259 0.184,1260 37.215,1261 0.413,1262 204,1263 662.159,1264 226.828,1265 631.883,1266 833.13,1267 586,1268 231,1269 581.918,1270 251.729,1271 586.383,1272 847.12,1273 551,1274 6}
{0 CHEMBL192613,1 1.345,2 11.091,3 7.177,4 51.502,5 129.067,6 7.509,7 0.622,8 4.151,9 4.247,10 3.733,11 3.793,12 5.267,13 3.759,14 4.664,15 4.797,16 4.09,17 4.193,18 5.801,19 4.133,20 4.952,21 5.15,22 4.138,23 4.317,24 5.928,25 4.226,26 5.015,27 5.22,28 4.16,29 4.283,30 6.021,31 4.211,32 4.995,33 5.185,34 4.192,35 4.307,36 6.019,37 4.249,38 4.986,39 5.161,40 4.163,41 4.382,42 5.989,43 4.295,44 5.04,45 5.228,46 4.172,47 4.438,48 6.003,49 4.331,50 5.141,51 5.354,52 4.107,53 4.437,54 6.097,55 4.303,56 0.034,57 0.696,58 11.068,59 5.536,60 8.726,61 6.893,62 0.204,63 1.179,64 19.884,65 9.436,66 36.018,67 12.201,68 0.125,69 1.59,70 29.53,71 13.053,72 34.452,73 17.364,74 0.297,75 1.702,76 33.1,77 13.058,78 49.573,79 16.733,80 0.392,81 1.684,82 32.154,83 12.192,84 49.361,85 15.134,86 0.301,87 1.64,88 30.356,89 12.835,90 49.029,91 16.206,92 0.195,93 1.733,94 31.75,95 14.216,96 35.414,97 18.652,98 0.213,99 1.905,100 36.744,101 16.131,102 49.928,103 21.461,104 6,105 51,106 0.216,107 0.527,108 0.661,109 0.792,110 0.851,111 0.867,112 3.532,113 0.919,114 -6.94,115 -6.74,116 -6.24,118 50,120 4,121 1,129 1,130 1,133 14,134 4,137 1,142 1,145 1,147 1,150 1,153 1,154 26,155 1,157 1,158 5,160 1,162 1,164 29,165 2,167 12,170 2,171 21,172 2,175 16,179 2,180 16,181 2,184 12,189 2,192 26,193 1,196 7,200 1,202 36,203 2,206 6,210 2,211 38,212 2,215 4,216 2,219 2,222 33,223 1,225 2,226 1,228 2,230 1,233 27,236 1964,237 22.844,238 22.844,239 22.844,240 22.844,241 22.844,242 19.809,243 10.056,244 13.791,245 22.898,246 18.342,247 18.342,248 18.342,249 18.342,250 18.342,251 13.816,252 5.201,253 6.602,254 18.438,255 4.513,256 2.572,257 1.734,258 0.918,259 0.552,260 0.448,261 4.243,266 1,267 804,268 2.915,270 82.81,271 419.338,277 1.73,278 26.333,280 0.75,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.78,288 69.5,289 366,290 4.575,291 3.579,292 6.769,293 4.208,294 3.223,295 4.288,296 1.437,297 11.16,298 3.175,299 4.226,300 3.306,301 6.444,302 3.932,303 2.934,304 3.797,306 9.989,307 2.927,308 4.136,309 3.068,310 5.976,311 3.784,312 2.783,313 3.554,315 8.468,316 2.777,317 3.909,318 2.667,319 5.763,320 3.508,321 2.511,322 3.473,324 7.796,325 2.504,326 3.645,327 2.511,328 5.395,329 3.305,330 2.309,331 2.989,333 6.913,334 2.294,335 3.489,336 2.151,337 5.043,338 3.056,339 2.064,340 2.868,342 5.863,343 2.043,344 3.08,345 1.898,346 4.643,347 2.747,348 1.752,349 2.24,351 4.63,352 1.741,353 2.967,354 1.754,355 4,356 2.519,357 1.524,358 2.164,360 3.42,361 1.516,362 2.849,363 1.651,364 3.974,365 2.474,366 1.472,367 1.939,369 3.303,370 1.47,371 2.622,372 1.524,373 3.748,374 2.281,375 1.28,376 1.62,378 2.932,379 1.277,380 2.53,381 1.225,382 3.592,383 2.188,384 1.193,385 1.5,387 2.819,388 1.187,389 2.5,390 1.177,391 3.478,392 2.005,393 1,394 1.5,395 2.33,396 1,397 2.5,398 1,399 3.437,400 2,401 1,402 1.478,403 2.323,404 1,405 2.497,406 1,407 3.436,408 2,409 1,410 1.472,411 2.136,412 0.994,413 2.278,414 0.932,415 3.247,416 1.879,417 0.888,418 1.19,419 2.136,420 0.879,421 15.9,422 0.482,423 0.657,424 0.02,425 45,426 1.364,427 25,428 0.758,429 20,430 0.606,431 27.791,432 0.842,433 33.3,434 0.574,435 35.06,436 1.062,437 8.792,438 0.266,439 7.395,440 0.224,441 0.042,443 0.314,447 0.759,448 0.975,449 0.773,450 0.919,451 0.711,452 0.86,453 0.511,454 1.1,455 0.877,456 1.072,457 0.406,458 1.03,459 0.679,460 1.123,461 0.877,462 1.07,463 0.566,464 1.011,465 1.303,466 1.047,467 0.963,468 0.945,469 0.938,470 0.913,471 1.614,472 0.873,473 1.053,474 0.803,475 0.918,476 0.837,477 1.234,478 0.974,479 1.14,480 0.972,481 1.023,482 1.029,483 0.784,484 1.072,485 1.073,486 1.1,487 0.72,488 1.118,489 0.768,490 1.153,491 1.102,492 1.189,493 0.891,494 1.19,495 5,496 0.123,497 3.111,498 1.972,499 1.577,500 1.241,501 0.582,502 0.406,503 0.37,504 0.206,505 15088,506 37896,507 2.168,508 43.1,509 9,510 15,513 1,517 1.759,518 2.084,519 3.455,520 -0.472,525 78.03,526 1.345,527 3.286,528 4.124,529 4.94,530 5.306,531 5.41,532 2.881,533 4.003,534 5.015,535 3.633,536 1918.12,537 8.821,538 28164.4,542 339.763,543 1.182,544 4.999,545 0.135,546 0.004,547 0.061,548 0.038,549 0.03,550 0.023,551 0.011,552 0.008,553 0.008,554 0.006,555 0.323,556 0.17,557 0.75,558 0.551,559 173.08,560 -0.032,561 0.019,562 0.04,563 0.045,564 -0.056,565 0.05,566 0.225,567 -0.106,568 -0.017,569 -0.105,570 0.216,571 -0.095,572 0.049,573 -0.14,574 0.061,575 -0.087,576 0.072,577 -0.025,578 -0.078,579 -0.024,580 0.045,581 0.015,582 -0.035,583 0.04,584 -0.216,585 0.186,586 -0.047,587 0.138,588 -0.089,589 0.083,590 -0.194,591 0.034,592 -0.198,593 -0.008,594 -0.169,595 -0.087,596 -0.067,597 -0.09,598 -0.154,599 -0.118,600 -0.073,601 -0.142,602 -0.026,603 -0.192,604 -0.146,605 -0.196,606 -0.059,607 -0.188,608 2.566,609 4.404,610 0.879,611 32.347,612 0.995,613 1.105,614 5.706,615 32.561,616 0.698,617 3.638,618 3.951,619 4.248,620 4.543,621 4.804,622 4.905,623 5.112,624 5.257,625 5.394,626 5.468,627 6.877,628 0.664,629 435.55,630 3.638,631 5.176,632 6.033,633 6.913,634 7.791,635 8.681,636 9.569,637 10.465,638 11.36,639 12.259,640 1.7,647 1,651 14,652 1,654 1,656 7,658 23,663 1,670 58,671 25,672 3,673 37,675 62,676 29,677 21,678 4,679 14,680 3,681 5,682 5,688 3,689 1,691 4,693 24,694 5,695 1,696 2,698 1,699 1,701 2,707 25,708 4,709 1,710 4,714 1,717 1,718 3,721 1,730 1,731 4,741 1,742 1,746 1,748 5,756 33,759 1,760 4,764 1,773 5.2,775 1,776 1,778 1,779 15.833,780 10.317,781 7.25,782 3.657,785 3.616,786 1.445,787 1.001,788 6.123,789 11.734,790 3.942,791 4.53,792 5.128,793 5.717,794 6.25,795 6.537,796 6.998,797 7.377,798 7.766,799 8.078,800 1,801 52,802 12.222,803 5.275,804 7.677,805 23.608,806 19.889,807 2.177,808 71.833,812 282.506,813 182.345,814 16.786,816 77.336,819 182.345,820 359.842,821 16.786,823 10.138,824 142.144,825 90.544,826 28.192,827 5.449,828 282.506,830 282.506,831 199.131,832 77.336,835 282.506,836 77.336,839 17.915,840 154.954,841 26.262,843 282.506,844 94.121,845 182.345,848 282.506,849 40.201,850 142.144,852 94.121,853 282.506,854 94.121,855 182.345,857 0.574,858 0.336,859 0.189,860 0.108,861 25,862 10,863 0.097,864 6,866 1,867 4.371,868 319.396,870 29,871 158.465,874 21.271,875 9.5,876 4.634,878 94.121,879 27.437,880 4.989,882 6.451,884 5.635,886 42.683,887 558.973,888 50.5,890 11.404,891 2.241,893 0.213,895 57.687,896 64.109,897 0.23,898 0.561,899 0.704,900 0.843,901 0.906,902 0.923,903 5.163,904 1.524,905 5.999,906 4.63,907 4.635,908 5.218,909 1.635,910 6.808,911 4.622,912 6.359,913 1.472,914 7.548,915 3.42,916 4.111,917 4.832,919 7.698,920 4.087,921 7.653,922 1.28,923 9.203,924 3.303,925 6.213,926 7.372,927 2.253,928 10.837,929 6.186,930 8.984,931 1.193,932 10.922,933 2.932,934 6.567,935 7.858,937 12.603,938 6.525,939 10.35,940 1,941 12.685,942 2.819,943 8.095,944 9.812,945 2.922,946 15.237,947 8.05,948 11.742,949 1,950 14.477,951 2.33,952 8.858,953 10.726,955 17.355,956 8.796,957 13.153,958 1,959 16.289,960 2.323,961 10.148,962 12.41,963 3.619,964 19.822,965 10.08,966 3.223,967 0.888,968 18.116,969 2.136,970 11.108,971 13.555,973 22.09,974 11.023,975 2.934,976 11.16,977 19.955,978 2.136,979 12.299,980 15.107,981 4.33,982 24.501,983 12.206,984 2.783,985 9.989,986 21.803,987 4.288,988 13.354,989 16.381,991 26.837,992 13.243,993 2.511,994 8.468,995 23.659,996 3.797,997 14.509,998 17.869,999 5.047,1000 29.232,1001 14.386,1002 2.309,1003 7.796,1004 25.52,1005 3.554,1006 15.61,1007 19.216,1009 31.599,1010 15.47,1011 2.064,1012 6.913,1013 27.386,1014 3.473,1015 16.754,1016 20.675,1017 5.769,1018 33.991,1019 16.601,1020 1.752,1021 5.863,1022 29.257,1023 2.989,1024 17.878,1025 22.063,1027 36.374,1028 17.708,1029 14106,1030 22499,1031 25.542,1032 40.506,1033 56.436,1034 56.668,1035 56.431,1036 55.565,1037 55.549,1038 74.582,1039 2.873,1040 157.073,1041 55.195,1042 5.497,1043 5.579,1044 6.571,1045 5.224,1046 5.223,1047 7.288,1048 2.873,1049 18.336,1050 5.175,1051 11.222,1052 1.525,1053 1.532,1054 1.525,1055 1.502,1056 1.501,1057 2.016,1058 0.078,1059 4.245,1060 1.492,1061 4.084,1062 4.104,1063 4.046,1064 3.992,1065 7.475,1066 3.998,1067 3.951,1068 3.975,1069 3.892,1070 3.89,1071 6.351,1072 3.887,1073 3.842,1074 3.873,1075 3.769,1076 3.789,1077 5.153,1078 3.78,1079 3.827,1080 3.861,1081 3.744,1082 3.751,1083 4.721,1084 3.744,1085 3.581,1086 3.61,1087 3.507,1088 3.407,1089 4.693,1090 3.431,1091 3.34,1092 3.363,1093 3.268,1094 3.162,1095 4.688,1096 3.168,1097 3.161,1098 3.198,1099 3.005,1100 2.959,1101 4.331,1102 2.975,1103 3.039,1104 3.101,1105 2.899,1106 2.938,1107 3.821,1108 2.921,1109 0.124,1110 0.097,1111 0.183,1112 0.114,1113 0.087,1114 4.575,1115 0.116,1116 3.579,1117 0.039,1118 6.769,1119 0.302,1120 4.208,1121 0.086,1122 3.223,1123 4.288,1124 1.437,1125 11.16,1126 3.175,1127 1.973,1128 1.946,1129 2.113,1130 2.065,1131 1.454,1132 2.082,1133 1.942,1134 1.92,1135 2.045,1136 2.015,1137 1.145,1138 2.026,1139 1.863,1140 1.836,1141 1.989,1142 1.952,1143 1.136,1144 1.964,1145 1.832,1146 1.8,1147 1.978,1148 1.928,1149 1.045,1150 1.947,1151 1.297,1152 1.25,1153 1.557,1154 1.506,1155 0.835,1156 1.51,1157 1.273,1158 1.248,1159 1.428,1160 1.486,1161 0.62,1162 1.45,1163 1.246,1164 1.217,1165 1.364,1166 1.405,1167 0.483,1168 1.393,1169 1.082,1170 1.059,1171 1.248,1172 1.354,1173 0.399,1174 1.326,1175 4.317,1177 5.631,1178 2.398,1179 7.146,1180 4.727,1181 8.748,1182 6.862,1183 10.394,1189 9.359,1190 3.874,1194 0.23,1199 38.487,1200 78.03,1201 190.572,1202 239.199,1203 286.502,1204 307.763,1205 313.763,1206 53.993,1207 8.119,1208 63.33,1209 63.33,1210 29,1211 12.783,1212 4.7,1213 3.858,1214 47.508,1215 134,1216 136,1217 0.17,1218 232.708,1219 407.91,1220 559.568,1221 39265,1223 22.623,1224 0.686,1225 0.554,1226 22.623,1227 18.277,1228 16.187,1229 0.437,1230 0.306,1231 11.26,1232 15.877,1233 11.028,1234 9.141,1235 16.187,1236 11.332,1237 14.336,1238 0.281,1239 0.165,1240 14.336,1241 8.426,1242 12.186,1243 0.177,1244 0.089,1245 12.186,1246 6.174,1247 10.433,1248 0.112,1249 0.049,1250 10.433,1251 4.554,1252 8.776,1253 0.073,1254 0.027,1255 8.776,1256 3.293,1257 0.263,1258 99.499,1259 0.198,1260 30.3,1261 0.479,1262 176,1263 461.266,1264 186.8,1265 454.32,1266 631.04,1267 426,1268 208,1269 472.756,1270 218.859,1271 481.969,1272 708.76,1273 456,1274 5.523}
{0 CHEMBL192729,1 1.566,2 15.526,3 3.934,4 15.48,5 138.757,6 7.375,7 0.4,8 4.34,9 4.452,10 3.868,11 3.824,12 5.488,13 3.816,14 4.876,15 5.036,16 4.182,17 4.185,18 6.09,19 4.139,20 5.165,21 5.389,22 4.179,23 4.274,24 6.241,25 4.196,26 5.182,27 5.411,28 4.115,29 4.197,30 6.273,31 4.137,32 5.109,33 5.329,34 4.136,35 4.138,36 6.322,37 4.094,38 5.121,39 5.331,40 4.158,41 4.156,42 6.338,43 4.119,44 5.133,45 5.346,46 4.135,47 4.205,48 6.303,49 4.142,50 5.151,51 5.372,52 4.15,53 4.254,54 6.313,55 4.171,56 0.126,57 0.975,58 14.687,59 6.614,60 19.636,61 8.379,62 0.625,63 1.513,64 27.679,65 10.821,66 76.559,67 14.512,68 0.858,69 1.807,70 40.953,71 13.588,72 114.871,73 18.986,74 0.933,75 1.758,76 43.024,77 12.396,78 135.054,79 17.339,80 0.95,81 1.653,82 39.666,83 11.538,84 146.37,85 16.08,86 1.077,87 1.684,88 40.112,89 11.275,90 146.628,91 15.563,92 1.036,93 1.715,94 40.253,95 12.198,96 139.118,97 16.832,98 0.995,99 1.757,100 40.635,101 13.381,102 138.222,103 18.646,104 34,105 51,106 0.244,107 0.568,108 0.738,109 0.864,110 0.902,111 0.902,112 3.667,113 0.949,114 -3.01,115 -3.01,116 -2.91,118 39.4,120 6,124 3,125 1,133 10,134 2,142 2,145 3,146 1,150 1,153 1,154 15,155 1,157 1,158 5,160 5,162 4,164 13,165 1,166 1,167 7,168 2,169 1,170 6,171 8,172 1,175 11,179 5,180 1,181 1,183 1,184 11,187 1,188 1,189 7,192 2,195 1,196 7,198 2,199 1,200 6,201 1,202 5,206 4,208 4,209 1,210 3,211 8,214 2,215 4,216 1,217 3,219 5,222 11,225 3,226 4,228 1,230 5,231 1,233 8,234 1,236 4082,237 25.587,238 25.587,239 25.587,240 25.587,241 25.587,242 23.115,243 22.471,244 15.929,245 25.835,246 19.792,247 19.792,248 19.792,249 19.792,250 19.792,251 15.944,252 21.325,253 7.68,254 20.114,255 4.584,256 2.511,257 1.42,258 0.614,259 0.366,260 0.366,261 4.35,266 1,267 1230,268 5.477,270 107.593,271 309.184,274 207.226,277 2.316,278 54.983,280 0.75,281 0.5,282 0.67,283 0.9,284 1,285 0.5,287 0.62,288 84.5,289 590,290 4.498,291 3.757,292 6.349,293 4.054,294 3.053,295 4.425,296 2.341,297 9.781,298 3.054,299 4.009,300 3.644,301 6.06,302 3.784,303 2.794,304 3.448,305 2.204,306 8.722,307 2.758,308 3.91,309 3.596,310 5.743,311 3.534,312 2.559,313 3.305,314 1.956,315 7.58,316 2.501,317 3.779,318 3.528,319 5.363,320 3.43,321 2.416,322 3.041,323 1.058,324 7.026,325 2.44,326 3.629,327 2.884,328 4.995,329 3.26,330 2.3,331 2.815,332 0.814,333 5.986,334 2.222,335 3.55,336 2.76,337 4.659,338 3.24,339 2.235,340 2.71,341 0.248,342 5.184,343 2.172,344 3.032,345 2.185,346 4.414,347 2.781,348 1.804,349 2.298,350 0.141,351 4.312,352 1.756,353 3.023,354 1.856,355 4.364,356 2.574,357 1.579,358 2.22,360 4.282,361 1.564,362 2.918,363 1.782,364 3.973,365 2.532,366 1.532,367 2.082,369 3.44,370 1.532,371 2.844,372 1.751,373 3.696,374 2.515,375 1.52,376 1.862,378 3.286,379 1.509,380 2.68,381 1.658,382 3.637,383 2.471,384 1.471,385 1.664,387 3.129,388 1.467,389 2.574,390 1.532,391 3.585,392 2.247,393 1.274,394 1.546,395 2.857,396 1.233,397 2.5,398 1.426,399 3.449,400 2.028,401 1.027,402 1.5,403 2.431,404 1.02,405 2.273,406 1.309,407 3.247,408 2,409 1,410 1.209,411 2.136,412 1,413 2.061,414 1.258,415 3.078,416 1.85,417 0.852,418 0.953,419 1.842,420 0.84,421 17.533,422 0.461,423 0.753,424 0.02,425 43.75,426 1.151,427 20,428 0.526,429 23.75,430 0.625,431 35.824,432 0.943,433 43.067,434 0.607,435 38.349,436 1.009,437 8.928,438 0.235,439 9.49,440 0.25,441 0.095,443 0.257,447 0.779,448 1.313,449 0.816,450 1.168,451 0.614,452 1.018,453 0.588,454 1.227,455 0.924,456 1.212,457 0.463,458 1.154,459 0.869,460 1.016,461 0.947,462 1.015,463 0.857,464 1,465 1.326,466 0.99,467 1.094,468 0.916,469 1.258,470 0.936,471 1.226,472 1.017,473 1.017,474 0.93,475 1.178,476 0.921,477 1.356,478 0.976,479 1.114,480 0.889,481 1.445,482 0.929,483 1.195,484 0.975,485 1.113,486 0.945,487 1.325,488 0.999,489 0.874,490 1,491 0.982,492 1.002,493 0.873,494 1.016,495 6.5,496 0.2,497 3.333,498 1.729,499 1.698,500 0.813,501 0.631,502 0.528,503 0.342,504 0.309,505 24977,506 74872,507 2.01,508 46.5,509 4,510 17,513 4,514 2,515 6,517 1.791,518 1.9,519 3.896,520 1.475,525 111.155,526 1.566,527 3.639,528 4.73,529 5.536,530 5.784,531 5.784,532 3.367,533 4.702,534 5.212,535 4.13,536 2903.53,537 9.207,538 53776.9,542 436.632,543 1.296,544 5.187,545 0.162,546 0.005,547 0.065,548 0.035,549 0.038,550 0.018,551 0.013,552 0.011,553 0.007,554 0.007,555 0.362,556 0.17,557 0.75,558 1.628,559 216.725,560 -0.073,561 -0.06,562 0.017,563 -0.016,564 -0.041,565 0.018,566 0.208,567 -0.084,568 -0.028,569 -0.14,570 0.159,571 -0.142,572 0.028,573 -0.015,574 0.026,575 -0.027,576 -0.023,577 -0.007,578 -0.207,579 -0.011,580 -0.07,581 0.014,582 -0.167,583 0.01,584 -0.087,585 -0.026,586 0.006,587 0.004,588 -0.02,589 0.022,590 -0.133,591 0.039,592 -0.082,593 0.032,594 -0.145,595 -0.007,596 -0.085,597 0.034,598 -0.105,599 0.007,600 -0.132,601 -0.049,602 0.07,603 -0.009,604 -0.003,605 -0.014,606 0.058,607 -0.026,608 2.514,609 5.848,610 0.395,611 58.202,612 1.012,613 1.129,614 1.783,615 3.179,616 0.643,617 3.714,618 3.951,619 4.111,620 4.277,621 4.431,622 4.407,623 4.454,624 4.564,625 4.533,626 4.5,627 9.544,628 0.619,629 523.64,630 3.714,631 5.209,632 6.004,633 6.83,634 7.646,635 8.48,636 9.309,637 10.15,638 10.988,639 11.834,640 4.2,644 3,650 2,651 10,654 1,656 2,658 16,661 1,670 71,671 20,672 2,673 40,675 73,676 28,677 14,678 3,679 9,680 1,681 3,682 4,691 7,693 18,694 10,696 4,698 4,701 4,706 1,707 33,708 10,709 4,710 10,714 3,717 0.667,718 7,730 1,731 2,734 1,737 1,739 1,745 1,746 1,748 2,756 38,759 1,760 9,761 3,762 1,764 1,773 9.9,775 1,776 4,778 2,779 20,780 12.117,781 8.667,782 4.349,785 2.445,786 1.329,787 0.926,788 12.144,789 9.872,790 3.97,791 4.451,792 4.895,793 5.384,794 5.85,795 6.007,796 6.264,797 6.609,798 6.452,799 6.417,800 1,801 49,802 14.176,803 5.959,804 8.044,805 26.369,806 20.845,807 2.544,808 96.667,812 341.362,813 151.899,814 54.032,816 163.77,819 151.899,820 505.132,821 54.032,823 78.043,824 94.762,825 153.582,826 26.266,827 17.048,828 341.362,830 341.362,831 205.931,832 163.77,835 270.735,836 234.397,839 78.043,840 127.888,843 341.362,844 217.803,845 151.899,848 341.362,849 57.136,850 94.762,851 54.032,852 163.77,853 341.362,854 217.803,855 151.899,857 0.56,858 0.303,859 0.153,860 0.083,861 18,862 9,863 0.219,864 16,865 1,866 1.133,867 5.029,868 324.528,869 0.133,870 15,871 195.421,874 29.209,875 15.798,876 10.513,877 1.344,878 217.803,879 18.142,882 5.61,884 0.968,886 96.716,887 711.063,888 52,890 48.291,893 -2.292,895 71.851,896 80.189,897 0.255,898 0.592,899 0.769,900 0.9,901 0.94,902 0.94,903 5.165,904 1.579,905 5.938,906 4.312,907 4.635,908 5.139,909 3.336,910 6.632,911 4.606,912 6.317,913 1.532,914 7.424,915 4.282,916 4.007,917 4.808,918 2.906,919 7.31,920 3.995,921 7.579,922 1.52,923 9.011,924 3.44,925 6.111,926 7.21,927 4.543,928 10.374,929 6.059,930 8.876,931 1.471,932 10.661,933 3.286,934 6.33,935 7.762,936 4.769,937 11.941,938 6.297,939 10.207,940 1.274,941 12.353,942 3.129,943 7.861,944 9.638,945 5.978,946 14.489,947 7.796,948 11.563,949 1.027,950 14.076,951 2.857,952 8.497,953 10.636,954 6.489,955 16.431,956 8.451,957 12.94,958 1,959 15.82,960 2.431,961 9.775,962 12.293,963 7.51,964 18.794,965 9.708,966 3.053,967 0.852,968 17.581,969 2.136,970 10.63,971 13.53,972 8.163,973 20.904,974 10.578,975 2.794,976 9.781,977 19.355,978 1.842,979 11.793,980 15.088,981 9.092,982 23.198,983 11.729,984 2.559,985 8.722,986 21.138,987 4.425,988 12.763,989 16.45,990 9.822,991 25.386,992 12.708,993 2.416,994 7.58,995 22.93,996 3.448,997 13.878,998 17.964,999 10.703,1000 27.656,1001 13.817,1002 2.3,1003 7.026,1004 24.727,1005 3.305,1006 14.907,1007 19.389,1008 11.477,1009 29.883,1010 14.853,1011 2.235,1012 5.986,1013 26.53,1014 3.041,1015 16.005,1016 20.885,1017 12.335,1018 32.147,1019 15.949,1020 1.804,1021 5.184,1022 28.338,1023 2.815,1024 17.066,1025 22.341,1026 13.133,1027 34.393,1028 17.015,1029 24384,1030 42374,1031 26.523,1032 45.62,1033 57.941,1034 60.251,1035 58.65,1036 57.366,1037 57.391,1038 73.287,1039 17.522,1040 149.828,1041 56.576,1042 5.474,1043 5.757,1044 6.177,1045 5.119,1046 5.053,1047 7.425,1048 4.089,1049 16.428,1050 5.054,1051 19.38,1052 1.449,1053 1.506,1054 1.466,1055 1.434,1056 1.435,1057 1.832,1058 0.438,1059 3.746,1060 1.414,1061 4.104,1062 4.11,1063 4.07,1064 4.003,1065 7.474,1066 4.015,1067 3.917,1068 3.947,1069 3.842,1070 3.847,1071 7.437,1072 3.841,1073 3.827,1074 3.88,1075 3.728,1076 3.664,1077 7.431,1078 3.667,1079 3.732,1080 3.787,1081 3.603,1082 3.58,1083 7.424,1084 3.574,1085 3.596,1086 3.644,1087 3.518,1088 3.36,1089 6.351,1090 3.384,1091 3.504,1092 3.543,1093 3.421,1094 3.309,1095 5.11,1096 3.327,1097 3.42,1098 3.444,1099 3.317,1100 3.197,1101 4.775,1102 3.224,1103 3.288,1104 3.324,1105 3.164,1106 3.061,1107 4.394,1108 3.077,1109 0.112,1110 0.094,1111 0.159,1112 0.101,1113 0.076,1114 4.498,1115 0.111,1116 3.757,1117 0.059,1118 6.349,1119 0.245,1120 4.054,1121 0.076,1122 3.053,1123 4.425,1124 2.341,1125 9.781,1126 3.054,1127 1.915,1128 1.896,1129 2.033,1130 1.999,1131 1.34,1132 2.009,1133 1.904,1134 1.876,1135 2.016,1136 1.992,1137 1.291,1138 1.999,1139 1.782,1140 1.728,1141 2.004,1142 1.98,1143 1.133,1144 1.985,1145 1.726,1146 1.671,1147 1.953,1148 1.911,1149 1.117,1150 1.928,1151 1.526,1152 1.5,1153 1.725,1154 1.787,1155 0.974,1156 1.76,1157 1.467,1158 1.421,1159 1.64,1160 1.714,1161 0.825,1162 1.69,1163 1.343,1164 1.306,1165 1.523,1166 1.608,1167 0.614,1168 1.577,1169 1.211,1170 1.169,1171 1.458,1172 1.48,1173 0.59,1174 1.465,1175 4.394,1177 5.652,1178 2.398,1179 7.077,1180 4.727,1181 8.582,1182 6.843,1183 10.132,1189 8.723,1190 3.363,1191 8.182,1192 5.186,1194 -0.85,1199 43.97,1200 111.155,1201 258.363,1202 335.829,1203 393.022,1204 410.632,1205 410.632,1206 123.337,1207 7.427,1208 146.97,1209 146.97,1210 17,1211 12.398,1212 4.392,1213 3.7,1214 80.171,1215 200,1216 238,1217 0.171,1218 273.331,1219 488.67,1220 658.688,1221 18562,1223 27.167,1224 0.715,1225 0.556,1226 27.167,1227 21.112,1228 18.419,1229 0.46,1230 0.316,1231 12.466,1232 17.622,1233 12.29,1234 10.201,1235 18.419,1236 12.656,1237 15.843,1238 0.311,1239 0.173,1240 15.843,1241 8.801,1242 12.067,1243 0.201,1244 0.096,1245 12.067,1246 5.789,1247 9.196,1248 0.13,1249 0.053,1250 9.196,1251 3.776,1252 7.216,1253 0.087,1254 0.029,1255 7.216,1256 2.416,1257 0.278,1258 116.44,1259 0.194,1260 35.502,1261 0.446,1262 182,1263 637.562,1264 206.648,1265 595.533,1266 776.7,1267 552,1268 202,1269 536.655,1270 223.857,1271 533.152,1272 769.61,1273 501,1274 5}
{0 CHEMBL196779,1 1.482,2 12.606,3 4.81,4 23.139,5 121.266,6 7.716,7 0.5,8 4.163,9 4.252,10 3.745,11 3.704,12 5.337,13 3.7,14 4.683,15 4.807,16 4.119,17 4.09,18 5.919,19 4.065,20 4.993,21 5.158,22 4.204,23 4.244,24 6.16,25 4.197,26 5.074,27 5.276,28 4.184,29 4.238,30 6.149,31 4.188,32 5.052,33 5.225,34 4.232,35 4.236,36 6.298,37 4.202,38 5.067,39 5.251,40 4.155,41 4.22,42 6.278,43 4.168,44 5.044,45 5.254,46 4.041,47 4.168,48 6.18,49 4.092,50 4.953,51 5.154,52 3.916,53 4.115,54 6.078,55 4.026,56 0.1,57 0.746,58 11.093,59 5.654,60 19.536,61 6.547,62 0.485,63 1.217,64 20.746,65 9.272,66 60.235,67 11.255,68 0.777,69 1.599,70 31.35,71 12.156,72 96.244,73 14.968,74 0.621,75 1.697,76 36.162,77 13.194,78 75.147,79 16.629,80 0.748,81 1.623,82 34.518,83 12.916,84 98.968,85 15.567,86 0.75,87 1.657,88 35.476,89 13.004,90 106.07,91 15.847,92 0.754,93 1.602,94 36.115,95 13.112,96 104.104,97 16.597,98 0.608,99 1.477,100 32.146,101 12.145,102 105.648,103 15.168,104 20,105 50,106 0.24,107 0.554,108 0.693,109 0.788,110 0.815,111 0.815,112 3.532,113 0.892,114 -4.56,115 -4.48,116 -4.22,118 44.8,120 3,124 2,126 1,133 13,134 2,135 3,145 1,146 1,150 1,153 1,154 15,157 3,158 6,159 1,160 1,162 2,164 17,166 1,167 9,168 2,170 2,171 11,175 15,179 2,180 8,181 2,184 16,187 2,189 3,192 9,193 3,196 12,198 1,200 4,202 8,203 3,205 1,206 8,210 7,211 12,215 2,219 4,220 1,222 17,225 2,226 2,227 1,228 1,229 1,230 2,233 20,236 1889,237 22.242,238 22.242,239 22.242,240 22.242,241 22.242,242 19.7,243 23.115,244 13.31,245 22.599,246 17.781,247 17.781,248 17.781,249 17.781,250 17.781,251 14.033,252 27.631,253 6.322,254 18.383,255 4.376,256 2.438,257 1.582,258 0.994,259 0.828,260 0.828,261 4.227,265 1,266 1,267 892,268 4.301,271 430.308,275 163.335,277 2.066,278 43.941,280 1,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.9,288 72.5,289 416,290 4.474,291 3.843,292 7.023,293 4.308,294 3.343,295 4.042,296 2.423,297 12.007,298 3.223,299 4.349,300 3.635,301 6.746,302 4.053,303 3.111,304 3.8,305 2.208,306 10.978,307 2.925,308 4.135,309 3.569,310 6.451,311 3.872,312 2.905,313 3.298,314 0.922,315 10.001,316 2.801,317 3.736,318 3.16,319 5.247,320 3.269,321 2.278,322 3.243,323 0.655,324 6.4,325 2.256,326 3.556,327 2.881,328 5.192,329 3.213,330 2.238,331 2.792,332 0.13,333 6.188,334 2.156,335 3.511,336 2.404,337 5.022,338 3.069,339 2.1,340 2.725,342 5.668,343 2.014,344 3.269,345 2.323,346 4.632,347 2.9,348 1.926,349 2.491,351 5.05,352 1.864,353 2.952,354 1.819,355 4.232,356 2.542,357 1.55,358 2.104,360 3.814,361 1.537,362 2.918,363 1.685,364 3.925,365 2.496,366 1.517,367 2.08,369 3.334,370 1.476,371 2.781,372 1.592,373 3.625,374 2.31,375 1.317,376 1.908,378 2.88,379 1.306,380 2.5,381 1.454,382 3.573,383 2,384 1.031,385 1.5,387 2.377,388 1,389 2.5,390 1.352,391 3.555,392 2,393 1,394 1.5,395 2.136,396 1,397 2.171,398 1.028,399 3.247,400 2,401 1,402 1.138,403 2.136,404 0.992,405 1.836,406 1,407 3.247,408 1.605,409 0.702,410 0.77,411 1.758,412 0.625,413 1.709,414 1,415 3.143,416 1.42,417 0.505,418 0.574,419 1.156,420 0.454,421 15.4,422 0.467,423 0.808,424 0.024,425 42.75,426 1.295,427 22,428 0.667,429 20.75,430 0.629,431 28.392,432 0.86,433 35.6,434 0.614,435 35.866,436 1.087,437 8.717,438 0.264,439 7.233,440 0.219,441 0.087,442 0.032,443 0.253,447 0.821,448 1.16,449 0.767,450 1.044,451 0.746,452 0.921,453 0.693,454 1.138,455 0.86,456 1.074,457 0.54,458 1.02,459 0.973,460 1.107,461 1.055,462 1.057,463 0.953,464 1.066,465 1.113,466 0.989,467 0.965,468 0.962,469 0.782,470 0.928,471 1.226,472 1.023,473 1.026,474 1.016,475 1.017,476 0.984,477 1.245,478 1.057,479 1.126,480 1.06,481 1.356,482 1.061,483 1.106,484 0.956,485 1.037,486 0.962,487 1.201,488 0.98,489 1.15,490 1.029,491 1.159,492 1.045,493 1.362,494 1.096,495 6.5,496 0.157,497 3.778,498 2.563,499 2,500 0.965,501 1.011,502 0.568,503 0.366,504 0.256,505 15430,506 45761,507 2.072,508 43.1,509 2,510 17,513 2,515 4,517 1.754,518 1.951,519 3.596,520 0.162,525 85.945,526 1.482,527 3.42,528 4.276,529 4.864,530 5.03,531 5.03,532 3.083,533 4.135,534 5.015,535 3.809,536 2011.17,537 8.791,538 30204.8,540 1,542 339.763,543 1.455,544 4.975,545 0.181,546 0.005,547 0.076,548 0.049,549 0.039,550 0.018,551 0.021,552 0.013,553 0.01,554 0.007,555 0.419,556 0.17,557 1,558 0.98,559 175.512,560 -0.072,561 -0.055,562 0.025,563 0.006,564 -0.098,565 0.03,566 0.173,567 -0.066,568 0.004,569 -0.057,570 0.127,571 -0.07,572 0.034,573 -0.075,574 -0.109,575 -0.076,576 -0.045,577 -0.115,578 -0.113,579 0.01,580 0.028,581 0.007,582 -0.015,583 0.045,584 -0.075,585 -0.036,586 -0.036,587 -0.04,588 0.018,589 -0.032,590 -0.123,591 -0.065,592 -0.131,593 -0.093,594 -0.132,595 -0.107,596 -0.075,597 0.004,598 -0.024,599 0.013,600 -0.096,601 0.007,602 -0.165,603 -0.063,604 -0.173,605 -0.06,606 -0.197,607 -0.109,608 2.715,609 6.095,610 0.667,611 34.841,612 1.012,613 1.116,614 3.326,615 11.061,616 0.67,617 3.611,618 3.932,619 4.174,620 4.443,621 4.691,622 4.718,623 4.828,624 4.905,625 4.97,626 4.92,627 7.533,628 0.649,629 447.52,630 3.611,631 5.153,632 5.994,633 6.876,634 7.739,635 8.629,636 9.502,637 10.394,638 11.272,639 12.167,640 1.7,644 1,651 13,656 5,658 18,666 1,668 1,670 58,671 20,672 3,673 36,675 61,676 26,677 18,678 5,679 13,681 4,682 5,688 3,689 1,691 3,693 20,694 6,695 1,696 2,698 2,701 2,707 25,708 7,709 2,710 7,714 1,717 0.75,718 6,720 1,731 4,735 1,739 1,746 2,748 3,756 33,759 2,760 5,762 2,765 1,766 1,773 10.3,774 1,775 1,776 2,778 2,779 16.917,780 10.1,781 7.264,782 3.319,785 2.348,786 1.306,787 0.924,788 7.089,789 10.017,790 3.871,791 4.413,792 4.885,793 5.414,794 5.923,795 5.97,796 6.279,797 6.566,798 6.697,799 6.735,800 1,801 52,802 12.303,803 5.358,804 7.967,805 22.94,806 18.852,807 2.467,808 81.417,811 1,812 270.735,813 164.78,814 3.124,816 157.656,819 164.78,820 428.392,821 3.124,823 19.913,824 165.875,825 93.883,826 39.128,827 6.763,828 270.735,830 270.735,831 167.904,832 157.656,835 223.651,836 162.057,837 42.683,839 19.913,840 147.992,843 270.735,844 160.781,845 164.78,848 270.735,849 41.589,850 126.316,852 157.656,853 270.735,854 160.781,855 164.78,857 0.577,858 0.326,859 0.18,860 0.106,861 23,862 10,863 0.131,864 8,865 1,866 1.091,867 4.345,868 303.946,869 0.091,870 22,871 143.71,874 22.992,875 10.174,876 5.603,878 160.781,879 23.737,884 3.564,886 85.367,887 596.296,888 47,890 23.93,893 -1.626,895 58.669,896 64.737,897 0.253,898 0.584,899 0.73,900 0.83,901 0.859,902 0.859,903 5.109,904 1.55,905 5.994,906 5.05,907 4.615,908 5.1,909 3.063,910 6.83,911 4.546,912 6.304,913 1.517,914 7.569,915 3.814,916 4.29,917 4.808,918 2.692,919 8.007,920 4.164,921 7.607,922 1.317,923 9.259,924 3.334,925 6.263,926 7.187,927 4.374,928 11.043,929 6.113,930 8.943,931 1.031,932 11.021,933 2.88,934 6.781,935 7.659,936 4.673,937 13.054,938 6.562,939 10.31,940 1,941 12.831,942 2.377,943 8.245,944 9.548,945 5.915,946 15.669,947 8.005,948 11.7,949 1,950 14.673,951 2.136,952 9.134,953 10.395,954 6.5,955 17.964,956 8.829,957 13.106,958 0.702,959 16.538,960 2.136,961 10.41,962 12.059,963 7.547,964 20.46,965 10.079,966 3.343,967 0.505,968 18.418,969 1.758,970 11.464,971 13.119,972 8.269,973 22.854,974 11.075,975 3.111,976 12.007,977 20.309,978 1.156,979 12.671,980 14.66,981 9.224,982 25.316,983 12.251,984 2.905,985 10.978,986 22.209,987 4.042,988 13.795,989 15.847,990 10.015,991 27.747,992 13.326,993 2.278,994 10.001,995 24.115,996 3.8,997 14.98,998 17.319,999 10.926,1000 30.203,1001 14.476,1002 2.238,1003 6.4,1004 26.026,1005 3.298,1006 16.136,1007 18.582,1008 11.754,1009 32.65,1010 15.588,1011 2.1,1012 6.188,1013 27.94,1014 3.243,1015 17.316,1016 20.014,1017 12.643,1018 35.107,1019 16.732,1020 1.926,1021 5.668,1022 29.858,1023 2.792,1024 18.487,1025 21.325,1026 13.492,1027 37.564,1028 17.862,1029 14778,1030 25587,1031 24.038,1032 38.869,1033 54.14,1034 55.352,1035 54.945,1036 53.39,1037 53.349,1038 68.318,1039 12.676,1040 152.543,1041 51.551,1042 5.431,1043 5.843,1044 6.825,1045 5.394,1046 5.343,1047 7.042,1048 4.127,1049 19.063,1050 5.223,1051 15.403,1052 1.504,1053 1.538,1054 1.526,1055 1.483,1056 1.482,1057 1.898,1058 0.352,1059 4.237,1060 1.432,1061 4.038,1062 4.062,1063 3.977,1064 3.96,1065 7.474,1066 3.959,1067 3.961,1068 3.991,1069 3.907,1070 3.882,1071 7.433,1072 3.882,1073 3.808,1074 3.841,1075 3.729,1076 3.753,1077 6.446,1078 3.743,1079 3.647,1080 3.668,1081 3.564,1082 3.486,1083 6.351,1084 3.494,1085 3.515,1086 3.52,1087 3.443,1088 3.249,1089 4.831,1090 3.292,1091 3.369,1092 3.389,1093 3.307,1094 3.116,1095 4.796,1096 3.158,1097 3.158,1098 3.22,1099 3.004,1100 2.996,1101 4.688,1102 2.992,1103 2.977,1104 3.032,1105 2.86,1106 2.81,1107 4.39,1108 2.809,1109 0.124,1110 0.107,1111 0.195,1112 0.12,1113 0.093,1114 4.474,1115 0.112,1116 3.843,1117 0.067,1118 7.023,1119 0.334,1120 4.308,1121 0.09,1122 3.343,1123 4.042,1124 2.423,1125 12.007,1126 3.223,1127 1.995,1128 1.973,1129 2.113,1130 2.092,1131 1.431,1132 2.098,1133 1.937,1134 1.908,1135 2.046,1136 2.041,1137 1.123,1138 2.043,1139 1.824,1140 1.794,1141 1.961,1142 1.905,1143 1.01,1144 1.926,1145 1.594,1146 1.564,1147 1.772,1148 1.789,1149 0.957,1150 1.775,1151 1.38,1152 1.365,1153 1.58,1154 1.667,1155 0.789,1156 1.632,1157 1.251,1158 1.218,1159 1.507,1160 1.523,1161 0.699,1162 1.501,1163 1.137,1164 1.085,1165 1.332,1166 1.361,1167 0.495,1168 1.366,1169 0.958,1170 0.9,1171 1.227,1172 1.177,1173 0.337,1174 1.199,1175 4.29,1177 5.609,1179 7.13,1181 8.744,1183 10.409,1189 20.044,1190 0.531,1192 10.996,1195 1.47,1196 -1.229,1199 37.632,1200 85.945,1201 198.332,1202 248.006,1203 282.111,1204 291.763,1205 291.763,1206 76.169,1207 7.668,1208 96.3,1209 96.3,1210 24,1211 12.696,1212 4.392,1213 3.585,1214 54.347,1215 151,1216 155,1217 0.176,1218 229.168,1219 410.92,1220 550.93,1221 22619,1223 23.261,1224 0.705,1225 0.546,1226 23.261,1227 18.016,1228 15.95,1229 0.443,1230 0.297,1231 10.551,1232 15.342,1233 10.347,1234 8.531,1235 15.95,1236 10.699,1237 14.529,1238 0.291,1239 0.161,1240 14.529,1241 8.038,1242 11.56,1243 0.181,1244 0.088,1245 11.56,1246 5.617,1247 9.684,1248 0.115,1249 0.048,1250 9.684,1251 4.034,1252 8.224,1253 0.076,1254 0.027,1255 8.224,1256 2.909,1257 0.278,1258 100.249,1259 0.204,1260 30.729,1261 0.476,1262 172,1263 550.887,1264 191.909,1265 520.156,1266 693.73,1267 484,1268 200,1269 494.468,1270 218.612,1271 496.694,1272 725.54,1273 466,1274 5}
{0 CHEMBL207203,1 1.678,2 9.387,3 4.419,4 19.526,5 119.995,6 8.4,7 0.471,8 4.11,9 4.193,10 3.891,11 3.737,12 5.197,13 3.683,14 4.681,15 4.814,16 4.239,17 4.169,18 5.985,19 4.107,20 4.976,21 5.14,22 4.283,23 4.329,24 6.108,25 4.242,26 5.054,27 5.242,28 4.319,29 4.384,30 6.103,31 4.292,32 5.123,33 5.305,34 4.463,35 4.463,36 6.179,37 4.371,38 5.232,39 5.404,40 4.48,41 4.525,42 6.469,43 4.422,44 5.296,45 5.491,46 4.318,47 4.49,48 6.43,49 4.361,50 5.279,51 5.528,52 4.216,53 4.326,54 6.383,55 4.163,56 0.134,57 0.741,58 12.274,59 5.967,60 28.862,61 6.547,62 0.398,63 1.265,64 23.592,65 10.318,66 82.468,67 12.116,68 0.559,69 1.616,70 34.389,71 13.341,72 99.225,73 15.663,74 0.574,75 1.798,76 35.281,77 13.818,78 77.582,79 17.137,80 0.547,81 1.921,82 37.986,83 15.695,84 82.137,85 19.253,86 0.88,87 2.053,88 48.101,89 18.378,90 148.963,91 21.485,92 0.854,93 2.117,94 50.283,95 19.143,96 163.414,97 22.312,98 0.887,99 1.969,100 55.281,101 19.167,102 161.407,103 23.57,104 75,105 52,106 0.275,107 0.632,108 0.818,109 0.865,110 0.865,111 0.865,112 3.473,113 1.091,114 -4.32,115 -4.25,116 -4.01,118 41.8,119 1,120 3,121 1,123 1,124 1,125 1,133 6,134 4,135 2,142 2,145 1,150 1,153 1,154 11,155 1,157 1,158 6,160 1,162 3,164 15,165 1,167 12,170 2,171 13,172 1,175 8,176 1,177 1,179 2,180 12,181 2,183 1,184 4,187 1,189 4,192 20,193 1,195 2,196 6,198 2,200 4,202 23,203 3,206 7,210 7,211 14,212 3,215 7,219 5,220 1,222 6,223 3,226 7,227 2,228 1,229 1,230 3,233 5,236 1599,237 19.919,238 19.919,239 19.919,240 19.919,241 19.919,242 17.541,243 25.321,244 11.281,245 20.438,246 16.801,247 16.801,248 16.801,249 16.801,250 16.801,251 12.943,252 30.888,253 5.396,254 17.741,255 4.103,256 1.923,257 0.782,258 0.5,259 0.5,260 0.5,261 4.159,262 1,265 1,266 1,267 614,268 4.359,270 110.933,271 152.08,273 90.937,274 101.973,276 140.01,277 1.328,278 50.124,280 1,281 0.83,282 1,283 0.8,284 0.5,285 1,286 1,287 0.88,288 67.833,289 291,290 4.911,291 5.181,292 7.285,293 4.459,294 3.498,295 4.879,296 2.95,297 13.013,298 3.379,299 4.731,300 3.676,301 7.092,302 4.154,303 3.275,304 4.572,305 2.341,306 11.672,307 2.883,308 4.063,309 3.551,310 6.429,311 3.783,312 2.805,313 3.62,314 0.765,315 9.792,316 2.682,317 4.014,318 3.121,319 5.847,320 3.592,321 2.624,322 3.474,323 0.522,324 7.911,325 2.538,326 3.653,327 2.968,328 5.599,329 3.376,330 2.384,331 2.998,333 7.399,334 2.356,335 3.547,336 2.678,337 5.303,338 3.125,339 2.21,340 2.773,342 6.475,343 2.02,344 3.373,345 2.611,346 4.987,347 3.005,348 2.018,349 2.633,351 5.554,352 1.937,353 3.214,354 2.421,355 4.865,356 2.813,357 1.88,358 2.4,360 5.427,361 1.686,362 2.989,363 2.136,364 4.617,365 2.564,366 1.59,367 2.11,369 4.654,370 1.536,371 2.573,372 1.603,373 4.342,374 2.262,375 1.286,376 1.569,378 3.854,379 1.247,380 2.5,381 1.278,382 3.909,383 2.019,384 1.04,385 1.5,387 2.729,388 1.013,389 2.29,390 1.015,391 3.671,392 2,393 1,394 1.246,395 2.275,396 1,397 1.891,398 1,399 3.414,400 1.736,401 0.766,402 0.84,403 2.027,404 0.736,405 1.412,406 0.799,407 3.135,408 1.071,409 0.145,410 0.175,411 0.365,412 0.122,413 1.015,414 0.721,415 2.839,416 0.725,417 -0.257,418 -0.289,419 -0.702,420 -0.234,421 15.114,422 0.488,423 1.2,424 0.039,425 37.75,426 1.218,427 18.5,428 0.597,429 19.25,430 0.621,431 32.596,432 1.051,433 34.086,434 0.62,435 31.749,436 1.024,437 6.885,438 0.222,439 7.672,440 0.247,441 0.224,442 0.055,443 0.39,447 0.642,448 1.145,449 0.728,450 1.047,451 0.728,452 0.894,453 0.571,454 1.099,455 0.795,456 0.985,457 0.467,458 0.894,459 1.026,460 1.109,461 0.97,462 0.963,463 0.972,464 1.022,465 0.819,466 0.999,467 0.815,468 0.876,469 0.728,470 0.988,471 0.662,472 1.056,473 0.695,474 0.987,475 0.695,476 0.987,477 0.794,478 1.118,479 1,480 1.179,481 0.833,482 1.125,483 1.107,484 1.105,485 0.992,486 1.102,487 1.169,488 1.173,489 0.994,490 0.953,491 0.81,492 0.899,493 1.042,494 0.963,495 8.5,496 0.132,497 3.778,498 2.764,499 2.487,500 2.438,501 1.315,502 0.823,503 0.732,504 0.392,505 10381,506 35780,507 2.001,508 43.6,509 4,510 12,513 2,514 3,515 3,517 1.749,518 1.797,519 3.152,520 0.225,522 1,525 92.284,526 1.678,527 3.858,528 4.999,529 5.281,530 5.281,531 5.281,532 2.636,533 4.454,534 4.92,535 3.345,536 1555.64,537 8.667,538 21034.2,542 317.975,543 1.721,544 4.837,545 0.25,546 0.007,547 0.073,548 0.052,549 0.045,550 0.04,551 0.021,552 0.016,553 0.019,554 0.013,555 0.536,556 0.17,557 0.88,558 1.15,559 155.919,560 -0.005,561 0.009,562 0.109,563 0.046,564 -0.126,565 0.069,566 0.134,568 0.025,569 0.024,570 0.224,571 0.071,572 -0.165,573 -0.073,574 -0.131,575 -0.024,576 -0.119,577 -0.068,578 -0.081,579 0.067,580 -0.062,581 0.01,582 -0.059,583 -0.038,584 0.046,585 -0.009,586 0.057,587 -0.033,588 -0.008,589 -0.011,590 0.078,591 -0.1,592 -0.114,593 -0.164,594 0.057,595 -0.144,596 -0.158,597 -0.133,598 -0.167,599 -0.142,600 -0.153,601 -0.198,602 -0.047,603 -0.053,604 0.105,605 0.044,606 -0.066,607 0.054,608 4.4,609 5.312,610 0.581,611 29.438,612 1.013,613 1.116,614 3.085,615 9.519,616 0.689,617 3.555,618 3.97,619 4.248,620 4.615,621 4.963,622 5.226,623 5.468,624 5.631,625 5.759,626 5.823,627 5.842,628 0.653,629 462,630 3.555,631 5.153,632 6.028,633 6.963,634 7.877,635 8.822,636 9.755,637 10.707,638 11.651,639 12.606,640 1.8,645 1,650 2,651 6,656 6,657 1,658 16,669 1,670 55,671 19,672 2,673 34,675 58,676 23,677 14,678 6,679 6,681 4,682 7,683 1,685 1,688 2,689 1,691 4,693 15,694 8,695 1,696 3,697 1,698 3,701 1,704 1,707 24,708 5,709 2,710 8,711 2,714 1,717 0.5,718 5,719 1,727 1,730 2,731 2,733 1,734 1,736 1,739 1,746 2,748 2,750 1,752 2,753 1,756 31,757 1,759 2,760 4,764 2,772 1,773 9.1,774 1,775 1,776 3,779 17.25,780 10.326,781 6.472,782 3.255,785 3.171,786 1.393,787 0.953,788 5.839,789 11.248,790 3.829,791 4.53,792 5.099,793 5.772,794 6.418,795 6.914,796 7.436,797 7.868,798 8.213,799 8.526,800 1,801 53,802 11.791,803 5.494,804 8.071,805 21.821,806 19.069,807 2.571,808 79.694,811 1,812 258.964,813 111.62,814 1.899,815 39.149,816 154.825,818 6.046,819 105.574,820 452.937,821 1.899,822 16.016,823 9.709,824 105.587,825 113.051,826 19.08,827 4.901,828 258.964,829 39.149,830 258.964,831 107.473,832 154.825,833 45.195,835 223.651,836 147.455,837 42.683,839 20.434,840 87.04,841 45.195,843 258.964,844 156.724,845 150.769,847 6.046,848 258.964,849 32.701,850 74.772,852 193.973,853 258.964,854 156.724,855 150.769,857 0.605,858 0.331,859 0.18,860 0.118,861 27,862 14,863 0.103,864 6,865 2,866 1.222,867 3.863,868 306.036,869 0.222,870 18,871 147.58,873 1,874 22.191,875 8.157,876 4.212,877 1.535,878 154.825,879 10.617,884 4.174,885 2.058,886 85.367,887 566.457,888 45,889 -3.484,890 36.13,893 -0.867,895 55.742,896 61.392,897 0.29,898 0.667,899 0.865,900 0.913,901 0.913,902 0.913,903 5.124,904 1.88,905 6.094,906 5.554,907 4.654,908 5.218,909 3.356,910 7.015,911 4.553,912 6.404,913 1.59,914 7.728,915 5.427,916 4.575,917 5.447,918 2.243,919 8.247,920 4.352,921 7.783,922 1.286,923 9.468,924 4.654,925 6.392,926 7.6,927 5.247,928 11.345,929 6.183,930 9.201,931 1.04,932 11.271,933 3.854,934 7.066,935 8.605,936 4.112,937 13.377,938 6.738,939 10.653,940 1,941 13.114,942 2.729,943 8.466,944 10.355,945 7.313,946 16.077,947 8.135,948 12.129,949 0.766,950 14.985,951 2.275,952 9.456,953 11.683,954 5.889,955 18.42,956 9.031,957 13.625,958 0.145,959 16.877,960 2.027,961 10.723,962 13.304,963 9.427,964 21,965 10.277,966 3.498,967 -0.257,968 18.786,969 0.365,970 11.848,971 14.768,972 7.625,973 23.463,974 11.333,975 3.275,976 13.013,977 20.706,978 -0.702,979 13.077,980 16.346,981 11.56,982 26.011,983 12.53,984 2.805,985 11.672,986 22.637,987 4.879,988 14.26,989 17.868,990 9.342,991 28.522,992 13.661,993 2.624,994 9.792,995 24.576,996 4.572,997 15.482,998 19.435,999 13.706,1000 31.063,1001 14.849,1002 2.384,1003 7.911,1004 26.521,1005 3.62,1006 16.69,1007 20.982,1008 11.051,1009 33.594,1010 16.017,1011 2.21,1012 7.399,1013 28.471,1014 3.474,1015 17.914,1016 22.547,1017 15.858,1018 36.138,1019 17.209,1020 2.018,1021 6.475,1022 30.426,1023 2.998,1024 19.136,1025 24.105,1026 12.755,1027 38.679,1028 18.396,1029 10278,1030 19160,1031 21.501,1032 37.921,1033 53.261,1034 56.082,1035 55.342,1036 53.316,1037 53.042,1038 69.575,1039 13.154,1040 166.293,1041 50.27,1042 5.802,1043 7.181,1044 6.699,1045 5.507,1046 5.498,1047 7.879,1048 5.9,1049 20.682,1050 5.379,1051 20.486,1052 1.566,1053 1.649,1054 1.628,1055 1.568,1056 1.56,1057 2.046,1058 0.387,1059 4.891,1060 1.479,1061 4.24,1062 4.257,1063 4.738,1064 4.197,1065 7.716,1066 4.171,1067 3.953,1068 3.935,1069 4.146,1070 3.933,1071 7.474,1072 3.857,1073 3.875,1074 3.885,1075 3.973,1076 3.833,1077 6.999,1078 3.797,1079 3.679,1080 3.694,1081 3.622,1082 3.575,1083 6.451,1084 3.546,1085 3.491,1086 3.526,1087 3.422,1088 3.297,1089 6.351,1090 3.306,1091 3.317,1092 3.368,1093 3.369,1094 3.12,1095 4.952,1096 3.119,1097 3.234,1098 3.286,1099 3.168,1100 3.088,1101 4.837,1102 3.081,1103 2.894,1104 2.953,1105 2.989,1106 2.776,1107 4.331,1108 2.76,1109 0.144,1110 0.152,1111 0.214,1112 0.131,1113 0.103,1114 4.911,1115 0.143,1116 5.181,1117 0.087,1118 7.285,1119 0.383,1120 4.459,1121 0.099,1122 3.498,1123 4.879,1124 2.95,1125 13.013,1126 3.379,1127 2.03,1128 2.036,1129 2.063,1130 2.097,1131 1.354,1132 2.117,1133 1.908,1134 1.887,1135 1.988,1136 1.98,1137 1.259,1138 2.004,1139 1.711,1140 1.685,1141 1.883,1142 1.858,1143 1.171,1144 1.873,1145 1.615,1146 1.63,1147 1.756,1148 1.757,1149 1.017,1150 1.8,1151 1.566,1152 1.521,1153 1.661,1154 1.694,1155 0.967,1156 1.719,1157 1.365,1158 1.303,1159 1.576,1160 1.598,1161 0.775,1162 1.607,1163 1.211,1164 1.17,1165 1.457,1166 1.468,1167 0.64,1168 1.461,1169 1.029,1170 0.993,1171 1.25,1172 1.233,1173 0.434,1174 1.246,1175 4.234,1177 5.624,1178 3.045,1179 7.188,1180 5.533,1181 8.842,1182 7.758,1183 10.554,1185 2.762,1186 6.028,1189 19.957,1190 1.842,1194 -1.058,1199 35.932,1200 92.284,1201 212.2,1202 274.955,1203 290.465,1204 290.465,1205 290.465,1206 84.963,1207 8.077,1208 96.6,1209 104.98,1210 22,1211 13.094,1212 4.322,1213 3.585,1214 48.774,1215 105,1216 130,1217 0.23,1218 224.641,1219 391.87,1220 539.884,1221 31924,1222 1.8,1223 22.499,1224 0.726,1225 0.609,1226 23.249,1227 18.872,1228 14.558,1229 0.428,1230 0.364,1231 10.189,1232 13.052,1233 9.679,1234 7.935,1235 15.741,1236 12.361,1237 14.917,1238 0.287,1239 0.206,1240 16.712,1241 10.719,1242 11.147,1243 0.162,1244 0.106,1245 12.165,1246 7.335,1247 9.613,1248 0.096,1249 0.054,1250 10.269,1251 5.444,1252 8.614,1253 0.061,1254 0.031,1255 9.448,1256 4.403,1257 0.343,1258 102.734,1259 0.216,1260 28.078,1261 0.693,1262 172,1263 518.215,1264 233.759,1265 548.497,1266 719.82,1267 502,1268 207,1269 469.048,1270 266.906,1271 517.226,1272 754.86,1273 484,1274 4.699}
{0 CHEMBL208260,1 1.685,2 8.778,3 5.987,4 35.844,5 100.04,6 8.663,7 0.533,8 3.923,9 4.017,10 3.606,11 3.535,12 5.101,13 3.519,14 4.48,15 4.618,16 4.036,17 3.973,18 5.726,19 3.936,20 4.807,21 4.993,22 4.119,23 4.136,24 5.918,25 4.07,26 4.876,27 5.081,28 4.141,29 4.151,30 6.069,31 4.089,32 4.891,33 5.088,34 4.116,35 4.166,36 6.022,37 4.098,38 4.963,39 5.169,40 4.162,41 4.168,42 6.172,43 4.112,44 4.913,45 5.12,46 3.986,47 4.035,48 6.23,49 3.968,50 4.714,51 4.947,52 3.906,53 3.759,54 6.189,55 3.682,56 0.107,57 0.726,58 6.93,59 4.362,60 18.724,61 4.9,62 0.29,63 1.239,64 14.501,65 7.695,66 46.715,67 9.132,68 0.592,69 1.662,70 26.873,71 10.891,72 88.748,73 12.868,74 0.695,75 1.883,76 28.951,77 11.284,78 103.64,79 13.789,80 0.68,81 1.799,82 27.044,83 11.79,84 93.987,85 14.143,86 0.735,87 1.927,88 33.769,89 13.238,90 125.11,91 15.345,92 0.939,93 1.911,94 31.691,95 12.5,96 155.276,97 13.05,98 0.876,99 1.378,100 29.433,101 10.468,102 143.361,103 12.163,104 28,105 44,106 0.289,107 0.64,108 0.791,109 0.873,110 0.873,111 0.873,112 3.342,113 0.928,114 -6.08,115 -5.92,116 -5.51,118 46.7,120 4,121 1,124 1,133 6,134 3,135 3,142 2,145 1,150 1,153 1,154 11,155 1,158 5,160 1,162 1,164 14,165 1,167 8,170 1,171 12,172 1,175 4,176 1,179 1,180 10,181 2,183 1,184 2,187 1,189 2,192 15,193 2,196 3,200 2,202 20,203 2,206 2,210 2,211 12,212 3,215 3,219 3,222 5,223 2,226 2,230 2,233 5,236 1131,237 17.947,238 17.947,239 17.947,240 17.947,241 17.947,242 15.741,243 19.901,244 10.428,245 18.284,246 14.842,247 14.842,248 14.842,249 14.842,250 14.842,251 11.446,252 20.344,253 4.998,254 15.505,255 3.807,256 1.757,257 0.878,258 0.4,259 0.4,260 0.4,261 4.035,262 1,266 1,267 510,268 3.162,270 41.752,271 178.12,274 162.055,277 1.152,278 44.345,280 0.75,281 0.83,282 1,283 0.8,284 0.5,285 1,286 1,287 0.84,288 59.833,289 237,290 4.839,291 3.67,292 7.227,293 4.41,294 3.442,295 4.81,296 2.341,297 12.84,298 3.332,299 4.046,300 3.553,301 6.285,302 3.722,303 2.747,304 3.625,305 0.522,306 9.31,307 2.675,308 4.001,309 3.066,310 5.82,311 3.596,312 2.627,313 3.486,315 7.881,316 2.544,317 3.638,318 2.967,319 5.437,320 3.279,321 2.3,322 3.048,324 7.054,325 2.236,326 3.605,327 2.734,328 5.221,329 3.206,330 2.279,331 2.814,333 6.434,334 2.094,335 3.394,336 2.599,337 4.933,338 2.955,339 2.042,340 2.688,342 5.703,343 1.892,344 3.308,345 2.429,346 4.857,347 2.925,348 1.942,349 2.526,351 5.312,352 1.771,353 2.914,354 2.03,355 4.625,356 2.601,357 1.664,358 2.002,360 4.525,361 1.538,362 2.628,363 1.573,364 4.357,365 2.325,366 1.339,367 1.641,369 3.948,370 1.312,371 2.5,372 1.303,373 3.759,374 2.127,375 1.16,376 1.5,378 2.773,379 1.11,380 2.259,381 1,382 3.414,383 2,384 1,385 1.242,387 2.275,388 1,389 1.466,390 0.798,391 3.144,392 1.138,393 0.219,394 0.261,395 0.56,396 0.185,397 1.244,398 0.689,399 2.86,400 0.967,405 0.993,406 0.328,407 2.683,408 0.655,409 -0.266,410 -0.318,411 -0.666,412 -0.214,413 0.948,414 0.242,415 2.532,416 0.534,417 -0.386,418 -0.478,419 -1.035,420 -0.339,421 12.852,422 0.476,423 0.822,424 0.03,425 32.5,426 1.204,427 15.5,428 0.574,429 17,430 0.63,431 25.597,432 0.948,433 29.148,434 0.648,435 25.01,436 0.926,437 6.262,438 0.232,439 6.674,440 0.247,441 0.152,443 0.42,445 2,447 0.588,448 0.915,449 0.578,450 0.882,451 0.56,452 0.843,453 0.514,454 0.985,455 0.637,456 0.96,457 0.426,458 0.945,459 0.828,460 0.96,461 0.926,462 0.978,463 0.824,464 1.015,465 0.681,466 0.921,467 0.818,468 0.971,469 0.575,470 0.988,471 0.772,472 0.924,473 0.73,474 0.971,475 0.854,476 1.036,477 1.015,478 1.066,479 0.85,480 1.035,481 1.091,482 1.001,483 1.533,484 1.217,485 1.04,486 1.018,487 1.624,488 1.109,489 1.089,490 1.057,491 0.871,492 0.949,493 1.112,494 0.941,495 6,496 0.111,497 2.667,498 2.799,499 1.925,500 1.504,501 0.881,502 0.522,503 0.508,504 0.126,505 7514,506 26687,507 2.075,508 40,509 6,510 8,513 1,514 3,517 1.712,518 1.906,519 3.069,520 -0.346,525 75.836,526 1.685,527 3.735,528 4.614,529 5.092,530 5.092,531 5.092,532 2.449,533 4.282,534 4.722,535 3.229,536 1133.35,537 8.259,538 13925.2,542 247.133,543 1.506,544 4.668,545 0.2,546 0.019,547 0.061,548 0.061,549 0.041,550 0.033,551 0.019,552 0.014,553 0.018,554 0.007,555 0.472,556 0.5,557 0.88,558 0.979,559 129.721,560 -0.038,561 -0.009,562 0.007,563 0.047,564 -0.027,565 0.048,566 0.068,567 -0.091,568 0.042,569 -0.03,570 0.13,571 -0.018,572 -0.057,573 -0.033,574 -0.076,575 -0.027,576 -0.075,577 -0.05,578 0.047,579 -0.007,580 -0.014,581 -0.047,582 0.103,583 -0.023,584 0.016,585 0.003,586 -0.025,587 -0.042,588 -0.052,589 -0.07,590 -0.064,591 -0.077,592 -0.005,593 -0.065,594 -0.102,595 -0.009,596 -0.251,597 -0.006,598 -0.187,599 -0.039,600 -0.261,601 -0.15,602 0.084,603 -0.041,604 0.175,605 0.049,606 0.105,607 0.081,608 2.553,609 6.752,610 0.704,611 21.745,612 1.021,613 1.127,614 4.847,615 23.496,616 0.695,617 3.434,618 3.807,619 4.111,620 4.5,621 4.82,622 5.011,623 5.187,624 5.375,625 5.438,626 5.416,627 5.384,628 0.674,629 389.85,630 3.434,631 5.004,632 5.878,633 6.799,634 7.706,635 8.64,636 9.563,637 10.504,638 11.436,639 12.381,640 2.2,645 1,650 2,651 6,656 6,657 1,658 16,669 3,670 45,671 17,672 2,673 30,675 48,676 21,677 14,678 6,679 6,681 4,682 7,683 1,688 3,689 1,691 4,693 15,694 6,695 1,696 1,698 1,701 1,705 2,707 18,708 4,709 1,710 6,711 1,714 1,717 0.5,718 2,727 1,730 1,731 3,734 2,739 1,746 1,748 2,753 1,754 2,756 27,759 1,760 5,764 1,772 3,773 4.4,775 1,776 1,779 14.167,780 8.079,781 5.778,782 2.829,785 3.123,786 1.4,787 0.996,788 4.854,789 10.927,790 3.689,791 4.353,792 4.969,793 5.656,794 6.257,795 6.663,796 7.093,797 7.556,798 7.83,799 8.05,800 0.833,801 46,802 10.135,803 4.609,804 8.128,805 18.856,806 16.309,807 2.628,808 70.944,812 200.109,813 105.599,814 1.899,815 39.149,816 67.828,817 29.92,819 105.599,820 307.086,821 31.819,823 12.244,824 56.857,825 68.738,826 32.586,827 34.821,828 200.109,829 39.149,830 200.109,831 107.498,832 97.748,833 39.149,835 230.029,836 67.828,839 14.143,840 93.355,841 39.149,843 230.029,844 69.727,845 144.747,848 200.109,849 48.741,850 58.757,852 136.897,853 200.109,854 99.648,855 144.747,857 0.59,858 0.334,859 0.199,860 0.124,861 23,862 11,863 0.083,864 4,865 2,866 1.211,867 3.674,868 250.194,869 0.211,870 19,871 124.382,874 18.305,875 7.159,876 3.431,877 0.889,878 97.748,879 9.491,884 1.972,885 1.829,886 42.683,887 444.504,888 39,890 11.363,893 -0.886,895 45.942,896 50.693,897 0.307,898 0.68,899 0.84,900 0.927,901 0.927,902 0.927,903 4.956,904 1.664,905 5.894,906 5.312,907 4.489,908 5.04,909 2.313,910 6.772,911 4.406,912 6.194,913 1.339,914 7.488,915 4.525,916 4.205,917 5.037,918 2.243,919 7.801,920 4.038,921 7.532,922 1.16,923 9.183,924 3.948,925 6.133,926 7.325,927 3.632,928 10.981,929 5.99,930 8.904,931 1,932 10.939,933 2.773,934 6.635,935 8.139,936 4.112,937 12.906,938 6.423,939 10.31,940 0.219,941 12.738,942 2.275,943 8.094,944 9.966,945 5.202,946 15.646,947 7.892,948 11.742,950 14.568,951 0.56,952 8.981,953 11.184,954 5.889,955 17.959,956 8.727,957 13.197,958 -0.266,959 16.425,961 10.269,962 12.839,963 6.849,964 20.562,965 10.007,966 3.442,967 -0.386,968 18.302,969 -0.666,970 11.344,971 14.251,972 7.625,973 23.026,974 11.038,975 2.747,976 12.84,977 20.197,978 -1.035,979 12.576,980 15.844,981 8.526,982 25.588,983 12.252,984 2.627,985 9.31,986 22.106,987 4.81,988 13.737,989 17.345,990 9.342,991 28.107,992 13.374,993 2.3,994 7.881,995 24.028,996 3.625,997 14.958,998 18.918,999 10.216,1000 30.66,1001 14.568,1002 2.279,1003 7.054,1004 25.958,1005 3.486,1006 16.157,1007 20.458,1008 11.051,1009 33.199,1010 15.732,1011 2.042,1012 6.434,1013 27.897,1014 3.048,1015 17.379,1016 22.026,1017 11.912,1018 35.75,1019 16.924,1020 1.942,1021 5.703,1022 29.843,1023 2.814,1024 18.596,1025 23.583,1026 12.755,1027 38.297,1028 18.107,1029 7316,1030 13877,1031 19.709,1032 31.262,1033 45.997,1034 47.324,1035 47.759,1036 45.802,1037 45.525,1038 59.29,1039 5.725,1040 137.232,1041 43.378,1042 5.788,1043 5.67,1044 6.745,1045 5.423,1046 5.442,1047 7.81,1048 3.925,1049 20.394,1050 5.332,1051 14.853,1052 1.533,1053 1.577,1054 1.592,1055 1.527,1056 1.518,1057 1.976,1058 0.191,1059 4.574,1060 1.446,1061 4.197,1062 4.227,1063 4.173,1064 4.109,1065 8.211,1066 4.119,1067 3.888,1068 3.912,1069 3.977,1070 3.844,1071 8.191,1072 3.833,1073 3.745,1074 3.783,1075 3.66,1076 3.634,1077 7.474,1078 3.632,1079 3.468,1080 3.493,1081 3.438,1082 3.262,1083 6.351,1084 3.28,1085 3.369,1086 3.43,1087 3.371,1088 3.203,1089 4.948,1090 3.207,1091 3.071,1092 3.118,1093 3.161,1094 2.953,1095 4.778,1096 2.944,1097 2.965,1098 3.006,1099 2.957,1100 2.793,1101 4.317,1102 2.804,1103 2.899,1104 2.944,1105 2.802,1106 2.735,1107 4.138,1108 2.715,1109 0.161,1110 0.122,1111 0.241,1112 0.147,1113 0.115,1114 4.839,1115 0.16,1116 3.67,1117 0.078,1118 7.227,1119 0.428,1120 4.41,1121 0.111,1122 3.442,1123 4.81,1124 2.341,1125 12.84,1126 3.332,1127 1.952,1128 1.931,1129 2.075,1130 2.061,1131 1.45,1132 2.059,1133 1.933,1134 1.903,1135 2.029,1136 2.029,1137 1.221,1138 2.037,1139 1.822,1140 1.791,1141 1.921,1142 1.921,1143 1.086,1144 1.929,1145 1.399,1146 1.365,1147 1.634,1148 1.644,1149 0.906,1150 1.628,1151 1.329,1152 1.268,1153 1.512,1154 1.53,1155 0.743,1156 1.534,1157 1.06,1158 1.016,1159 1.299,1160 1.248,1161 0.525,1162 1.262,1163 0.901,1164 0.865,1165 1.181,1166 1.14,1167 0.322,1168 1.144,1169 0.886,1170 0.821,1171 1.136,1172 1.062,1173 0.218,1174 1.107,1175 4.111,1177 5.468,1178 2.398,1179 7.018,1180 4.949,1181 8.669,1182 7.261,1183 10.379,1186 5.953,1187 28.649,1189 9.318,1190 2.581,1194 -0.214,1199 30.313,1200 75.836,1201 168.06,1202 207.624,1203 229.133,1204 229.133,1205 229.133,1206 67.476,1207 7.805,1208 42.23,1209 42.23,1210 23,1211 12.876,1212 4.17,1213 3.322,1214 39.712,1215 83,1216 106,1217 0.233,1218 184.733,1219 324.53,1220 442.508,1221 24244,1222 6.7,1223 19.129,1224 0.708,1225 0.566,1226 17.889,1227 15.269,1228 12.936,1229 0.431,1230 0.309,1231 8.825,1232 12.163,1233 8.647,1234 7.046,1235 12.42,1236 9.278,1237 12.382,1238 0.281,1239 0.17,1240 11.608,1241 7.484,1242 9.805,1243 0.163,1244 0.092,1245 9.424,1246 5.516,1247 9.049,1248 0.102,1249 0.049,1250 8.382,1251 4.355,1252 7.8,1253 0.063,1254 0.028,1255 7.565,1256 3.404,1257 0.347,1258 84.213,1259 0.225,1260 25.057,1261 0.703,1262 148,1263 537.956,1264 178.357,1265 497.888,1266 645.56,1267 460,1268 178,1269 433.717,1270 200.912,1271 436.563,1272 643.78,1273 412,1274 4.699}
{0 CHEMBL2114230,1 1.289,2 15.167,3 3.991,4 15.924,5 120.565,6 6.312,7 0.194,8 4.231,9 4.351,10 3.606,11 3.741,12 5.267,13 3.683,14 4.796,15 4.971,16 3.906,17 4.148,18 5.822,19 4.041,20 5.175,21 5.423,22 3.914,23 4.288,24 6.077,25 4.136,26 5.197,27 5.465,28 3.832,29 4.248,30 6.133,31 4.076,32 5.135,33 5.407,34 3.781,35 4.181,36 6.035,37 4.016,38 5.08,39 5.34,40 3.817,41 4.149,42 6.035,43 3.997,44 5.105,45 5.363,46 3.779,47 4.144,48 6.075,49 3.987,50 5.101,51 5.373,52 3.707,53 4.107,54 6.01,55 3.943,56 0.093,57 0.835,58 15.892,59 7.126,60 21.912,61 9.37,62 0.232,63 1.373,64 27.948,65 11.857,66 55.42,67 16.16,68 0.414,69 1.756,70 41.03,71 15.191,72 86.288,73 21.418,74 0.55,75 1.74,76 41.965,77 15.114,78 106.433,79 21.596,80 0.436,81 1.626,82 39.377,83 14.095,84 90.354,85 20.13,86 0.464,87 1.557,88 37.397,89 13.478,90 91.98,91 19.168,92 0.545,93 1.566,94 38.584,95 13.505,96 102.598,97 19.182,98 0.481,99 1.531,100 38.333,101 13.213,102 93.239,103 18.863,104 33,105 39,106 0.208,107 0.52,108 0.746,109 0.896,110 0.913,111 0.913,112 3.439,113 1.074,114 -4.25,115 -4.19,116 -3.96,118 37.9,120 9,121 2,125 3,129 4,133 5,134 1,145 1,150 1,153 1,154 19,155 1,158 1,160 1,162 7,164 22,165 1,167 1,170 7,171 20,172 1,175 1,178 1,179 7,180 17,181 1,184 1,189 6,192 15,193 1,196 1,199 1,200 7,202 14,203 1,206 1,209 1,210 8,211 13,212 1,215 1,219 8,222 13,223 1,226 1,230 6,231 1,233 12,234 2,236 1932,237 20.001,238 20.001,239 20.001,240 20.001,241 20.001,242 18.629,243 19.271,244 12.519,245 20.114,246 15.321,247 15.321,248 15.321,249 15.321,250 15.321,251 13.32,252 17.17,253 6.014,254 15.543,255 4.755,256 2.826,257 1.429,258 0.496,259 0.394,260 0.394,261 4.107,265 1,266 1,267 926,268 4.528,270 105.626,271 123.739,277 2.656,278 38.697,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 65,289 455,290 4.172,291 3.596,292 6.682,293 4.13,294 3.148,295 3.444,296 2.341,297 10.723,298 3.088,299 3.897,300 3.336,301 5.354,302 3.524,303 2.525,304 3.21,305 0.765,306 6.966,307 2.523,308 3.552,309 2.815,310 5.34,311 3.329,312 2.368,313 2.713,315 6.313,316 2.269,317 3.502,318 2.714,319 5.026,320 3.241,321 2.236,322 2.572,324 5.957,325 2.223,326 3.209,327 2.38,328 4.663,329 3.001,330 2.041,331 2.269,333 5.184,334 1.955,335 2.994,336 2.148,337 4.657,338 2.759,339 1.778,340 2.116,342 4.754,343 1.737,344 2.941,345 1.911,346 3.8,347 2.618,348 1.625,349 1.983,351 3.452,352 1.611,353 2.719,354 1.676,355 3.718,356 2.557,357 1.572,358 1.701,360 3.324,361 1.542,362 2.5,363 1.535,364 3.522,365 2.298,366 1.304,367 1.5,369 2.787,370 1.294,371 2.464,372 1.354,373 3.375,374 2.092,375 1.106,376 1.446,378 2.392,379 1.084,380 2.279,381 1.091,382 3.247,383 2,384 1,385 1.216,387 2.136,388 1,389 2.112,390 1,391 3.105,392 1.736,393 0.751,394 0.924,395 1.687,396 0.736,397 1.494,398 0.772,399 2.773,400 1.391,401 0.401,402 0.425,403 0.892,404 0.395,405 1.367,406 0.499,407 2.555,408 1.189,409 0.204,410 0.225,411 0.441,412 0.2,413 1.004,414 0.403,415 2.346,416 0.751,417 -0.226,418 -0.254,419 -0.522,420 -0.217,421 14.167,422 0.472,423 0.617,424 0.021,425 26.25,426 0.875,427 9.5,428 0.317,429 16.75,430 0.558,431 34.249,432 1.142,433 35.633,434 0.54,435 18.944,436 0.631,437 4.737,438 0.158,439 9.732,440 0.324,441 0.118,443 0.247,447 0.918,448 1.156,449 1.026,450 1.151,451 0.913,452 1.112,453 0.632,454 1.349,455 1.086,456 1.352,457 0.621,458 1.3,459 0.952,460 1.075,461 1.047,462 1.078,463 0.952,464 1.078,465 0.866,466 1,467 0.998,468 1.008,469 0.845,470 1.022,471 0.942,472 0.955,473 0.963,474 0.957,475 0.912,476 0.963,477 0.851,478 1.027,479 0.946,480 1.026,481 0.818,482 1.004,483 1.027,484 1.008,485 1.034,486 1.011,487 0.963,488 1.022,489 1.11,490 0.933,491 1.01,492 0.934,493 1.064,494 0.953,495 5,496 0.209,497 2.667,498 1.951,499 0.881,500 0.67,501 0.594,502 0.344,503 0.215,504 0.226,505 13260,506 33616,507 1.959,508 54.5,509 12,510 12,513 4,514 2,515 4,516 2,517 1.724,518 1.837,519 3.833,520 1.531,522 1,525 85.107,526 1.289,527 3.218,528 4.615,529 5.548,530 5.65,531 5.65,532 3.331,533 4.64,534 4.87,535 4.071,536 1770.9,537 8.478,538 27646.3,542 398.93,543 1.363,544 4.837,545 0.161,546 0.007,547 0.068,548 0.053,549 0.027,550 0.021,551 0.018,552 0.011,553 0.007,554 0.008,555 0.382,557 0.88,558 1.739,559 160.696,560 -0.101,561 0.121,562 -0.022,563 0.113,564 -0.109,565 0.065,566 0.066,567 -0.172,568 -0.12,569 -0.178,570 0.074,571 -0.179,572 -0.07,573 -0.062,574 -0.076,575 -0.064,576 -0.081,577 -0.07,578 0.007,579 -0.026,580 -0.034,581 -0.029,582 0.001,583 -0.037,584 -0.054,585 0.011,586 0.002,587 0.014,588 -0.049,589 0.017,590 0.044,591 -0.042,592 0.024,593 -0.037,594 0.038,595 -0.013,596 -0.012,597 -0.035,598 -0.046,599 -0.038,600 0.001,601 -0.046,602 -0.09,603 0.016,604 -0.025,605 0.016,606 -0.081,607 0.007,608 2.457,609 4.302,610 0.367,611 42.747,612 0.993,613 1.129,614 3.024,615 9.144,616 0.621,617 3.466,618 3.689,619 3.829,620 3.989,621 4.043,622 3.951,623 3.97,624 3.97,625 3.97,626 3.989,627 8.82,628 0.577,629 416.61,630 3.466,631 4.949,632 5.733,633 6.555,634 7.363,635 8.196,636 9.018,637 9.859,638 10.693,639 11.54,651 5,656 1,658 6,670 66,671 9,672 1,673 31,675 67,676 25,677 6,678 1,679 5,681 2,682 2,688 3,689 2,691 12,693 11,694 14,695 2,696 3,698 1,699 4,701 1,707 36,708 5,709 4,710 5,717 1,718 5,719 3,730 1,731 1,739 1,741 4,746 4,748 2,756 30,759 4,760 9,764 5,773 7.6,774 3,775 1,776 1,779 16.333,780 10.633,781 6.917,782 4.181,785 1.764,786 1.257,787 0.837,788 11.028,789 8.629,790 3.638,791 3.998,792 4.287,793 4.621,794 4.92,795 4.775,796 4.849,797 4.928,798 5.016,799 5.153,800 1,801 37,802 11.244,803 4.724,804 7.917,805 21.603,806 17.821,807 2.417,808 72.5,812 376.675,813 112.192,816 195.878,819 112.192,820 572.554,823 22.811,824 213.336,825 68.738,826 3.186,828 376.675,830 376.675,831 112.192,832 195.878,835 306.049,836 138.455,837 128.05,839 22.811,840 51.477,841 37.905,843 376.675,844 195.878,845 112.192,848 376.675,849 26.906,850 85.286,852 195.878,853 376.675,854 195.878,855 112.192,857 0.557,858 0.299,859 0.153,860 0.078,861 13,862 7,863 0.194,864 13,866 1,867 4.353,868 224.972,870 11,871 143.207,874 24.49,875 13.509,876 9.282,878 195.878,879 10.314,884 1.31,886 170.733,887 684.746,888 37,890 10.525,891 7.543,893 -0.79,895 65.541,896 74.521,897 0.213,898 0.532,899 0.764,900 0.918,901 0.935,902 0.935,903 4.84,904 1.572,905 5.666,906 3.452,907 4.369,908 4.682,909 2.373,910 6.361,911 4.338,912 5.946,913 1.304,914 7.154,915 3.324,916 3.761,917 4.034,918 2.243,919 7.096,920 3.668,921 7.167,922 1.106,923 8.748,924 2.787,925 5.838,926 6.476,927 3.646,928 10.183,929 5.777,930 8.414,931 1,932 10.412,933 2.392,934 6.089,935 6.583,936 4.112,937 11.898,938 5.97,939 9.693,940 0.751,941 12.126,942 2.136,943 7.609,944 8.54,945 5.204,946 14.503,947 7.514,948 10.995,949 0.401,950 13.877,951 1.687,952 8.306,953 9.026,954 5.889,955 16.628,956 8.162,957 12.316,958 0.204,959 15.658,960 0.892,961 9.589,962 10.753,963 6.849,964 19.079,965 9.454,966 3.148,967 -0.226,968 17.462,969 0.441,970 10.516,971 11.456,972 7.625,973 21.361,974 10.344,975 2.525,976 10.723,977 19.285,978 -0.522,979 11.702,980 13.05,981 8.526,982 23.761,983 11.526,984 2.368,985 6.966,986 21.124,987 3.444,988 12.744,989 13.891,990 9.342,991 26.1,992 12.538,993 2.236,994 6.313,995 22.975,996 3.21,997 13.895,998 15.397,999 10.216,1000 28.482,1001 13.678,1002 2.041,1003 5.957,1004 24.836,1005 2.713,1006 14.991,1007 16.333,1008 11.051,1009 30.843,1010 14.748,1011 1.778,1012 5.184,1013 26.705,1014 2.572,1015 16.132,1016 17.775,1017 11.912,1018 33.218,1019 15.873,1020 1.625,1021 4.754,1022 28.58,1023 2.269,1024 17.253,1025 18.779,1026 12.755,1027 35.586,1028 16.971,1029 13320,1030 21282,1031 20.167,1032 40.978,1033 44.983,1034 44.859,1035 45.182,1036 44.274,1037 44.113,1038 51.485,1039 6.211,1040 114.013,1041 43.314,1042 5.09,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.444,1048 3.925,1049 17.488,1050 5.088,1051 16.746,1052 1.451,1053 1.447,1054 1.457,1055 1.428,1056 1.423,1057 1.661,1058 0.2,1059 3.678,1060 1.397,1061 3.985,1062 4.022,1063 3.887,1064 3.896,1065 7.474,1066 3.888,1067 3.914,1068 3.949,1069 3.83,1070 3.845,1071 6.465,1072 3.837,1073 3.744,1074 3.791,1075 3.621,1076 3.624,1077 6.449,1078 3.614,1079 3.698,1080 3.746,1081 3.566,1082 3.567,1083 6.434,1084 3.558,1085 3.494,1086 3.533,1087 3.384,1088 3.34,1089 6.351,1090 3.337,1091 3.43,1092 3.483,1093 3.281,1094 3.284,1095 4.752,1096 3.278,1097 3.158,1098 3.205,1099 2.996,1100 2.982,1101 4.427,1102 2.965,1103 3.131,1104 3.199,1105 2.959,1106 2.921,1107 4.285,1108 2.93,1109 0.135,1110 0.116,1111 0.216,1112 0.133,1113 0.102,1114 4.172,1115 0.111,1116 3.596,1117 0.076,1118 6.682,1119 0.346,1120 4.13,1121 0.1,1122 3.148,1123 3.444,1124 2.341,1125 10.723,1126 3.088,1127 1.93,1128 1.898,1129 2.08,1130 2.02,1131 1.376,1132 2.042,1133 1.834,1134 1.795,1135 2.017,1136 1.958,1137 1.337,1138 1.979,1139 1.747,1140 1.702,1141 1.953,1142 1.898,1143 1.231,1144 1.917,1145 1.639,1146 1.589,1147 1.867,1148 1.81,1149 1.156,1150 1.828,1151 1.58,1152 1.533,1153 1.806,1154 1.772,1155 1.104,1156 1.784,1157 1.422,1158 1.375,1159 1.665,1160 1.62,1161 0.872,1162 1.633,1163 1.314,1164 1.268,1165 1.561,1166 1.532,1167 0.774,1168 1.537,1169 1.08,1170 1.016,1171 1.385,1172 1.315,1173 0.576,1174 1.335,1175 4.143,1177 5.389,1178 2.398,1179 6.799,1180 4.844,1181 8.291,1182 6.986,1183 9.833,1189 39.509,1190 6.07,1194 -1.98,1199 38.056,1200 85.107,1201 212.385,1202 304.591,1203 366.175,1204 372.93,1205 372.93,1206 113.928,1207 6.866,1208 97.99,1209 97.99,1210 11,1211 12.104,1212 3.322,1213 2.807,1214 69.602,1215 153,1216 159,1217 0.208,1218 238.209,1219 433.55,1220 572.99,1221 9712,1223 21.769,1224 0.726,1225 0.588,1226 21.769,1227 17.644,1228 14.469,1229 0.467,1230 0.358,1231 11.021,1232 14.114,1233 10.824,1234 8.962,1235 14.469,1236 11.103,1237 12.374,1238 0.317,1239 0.213,1240 12.374,1241 8.288,1242 9.101,1243 0.202,1244 0.13,1245 9.101,1246 5.866,1247 7.086,1248 0.134,1249 0.078,1250 7.086,1251 4.129,1252 5.085,1253 0.091,1254 0.047,1255 5.085,1256 2.622,1257 0.344,1258 89.702,1259 0.223,1260 29.628,1261 0.528,1262 140,1263 374.334,1264 150.739,1265 357.129,1266 456.67,1267 330,1268 154,1269 297.485,1270 162.306,1271 300.384,1272 428.52,1273 284,1274 7.149}
{0 CHEMBL217941,1 1.569,2 17.857,3 7.839,4 61.456,5 169.622,6 9.18,7 0.63,8 4.34,9 4.417,10 4.186,11 4.013,12 5.465,13 3.965,14 4.843,15 4.954,16 4.517,17 4.388,18 6.129,19 4.324,20 5.081,21 5.223,22 4.619,23 4.532,24 6.213,25 4.441,26 5.178,27 5.347,28 4.676,29 4.508,30 6.474,31 4.4,32 5.154,33 5.343,34 4.671,35 4.453,36 6.336,37 4.365,38 5.11,39 5.297,40 4.43,41 4.432,42 6.286,43 4.332,44 5.052,45 5.241,46 4.46,47 4.427,48 6.191,49 4.311,50 5.009,51 5.193,52 4.293,53 4.366,54 6.141,55 4.254,56 0.089,57 0.844,58 12.076,59 6.704,60 18.374,61 7.472,62 0.42,63 1.369,64 21.964,65 11.282,66 61.33,67 12.723,68 0.329,69 1.747,70 39.134,71 15.602,72 56.727,73 17.171,74 0.832,75 1.94,76 52.24,77 17.576,78 133.155,79 19.408,80 0.577,81 1.914,82 52.569,83 17.396,84 81.656,85 19.536,86 0.618,87 1.822,88 39.702,89 15.371,90 99.754,91 17.598,92 0.403,93 1.729,94 47.788,95 15.769,96 67.36,97 18.242,98 0.388,99 1.662,100 39.279,101 15.109,102 72.018,103 17.213,104 27,105 64,106 0.24,107 0.51,108 0.69,109 0.848,110 0.891,111 0.897,112 3.764,113 1.007,114 -6.51,115 -6.33,116 -5.87,117 1,118 48.6,120 1,123 1,124 1,129 2,133 18,134 6,135 4,145 1,154 26,157 1,158 5,160 3,162 1,164 35,167 9,170 2,171 31,174 4,175 9,177 1,179 2,180 22,184 13,189 4,192 25,195 1,196 8,200 3,202 28,206 10,210 2,211 30,215 10,219 2,222 26,226 10,230 2,233 20,236 4180,237 28.358,238 28.358,239 28.358,240 28.358,241 28.358,242 24.317,243 25.329,244 16.811,245 28.946,246 22.689,247 22.689,248 22.689,249 22.689,250 22.689,251 16.477,252 28.168,253 7.97,254 23.61,255 4.56,256 2.799,257 1.62,258 0.587,259 0.307,260 0.268,261 4.468,267 1619,268 4.583,271 704.417,275 201.704,277 3.102,278 44.829,280 0.5,281 0.5,282 0.5,283 0.4,285 0.67,286 1,287 0.51,288 89.25,289 750,290 4.895,291 4.715,292 7.412,293 4.363,294 3.445,295 4.751,296 1.151,297 12.951,298 3.132,299 4.448,300 3.428,301 6.235,302 3.985,303 2.989,304 4.376,305 0.98,306 9.432,307 2.977,308 4.234,309 3.136,310 6.149,311 3.847,312 2.849,313 3.857,314 0.86,315 9.101,316 2.841,317 3.992,318 3.027,319 5.776,320 3.53,321 2.569,322 3.576,323 0.68,324 7.841,325 2.499,326 3.91,327 2.901,328 5.409,329 3.517,330 2.548,331 3.45,333 7.163,334 2.438,335 3.749,336 2.82,337 5.292,338 3.339,339 2.357,340 3.211,342 6.828,343 2.308,344 3.627,345 2.633,346 5.13,347 3.18,348 2.193,349 2.898,351 6.249,352 2.147,353 3.424,354 2.544,355 4.981,356 3.027,357 2.077,358 2.738,360 5.832,361 1.982,362 3.412,363 2.292,364 4.949,365 2.933,366 2.043,367 2.705,369 5.709,370 1.662,371 3.118,372 1.654,373 4.43,374 2.618,375 1.618,376 2.427,378 4.4,379 1.618,380 2.963,381 1.618,382 4.334,383 2.516,384 1.516,385 2.12,387 4.078,388 1.514,389 2.917,390 1.612,391 4.187,392 2.483,393 1.491,394 2.087,395 3.256,396 1.478,397 2.856,398 1.476,399 3.64,400 2.413,401 1.413,402 1.999,403 3.148,404 1.412,405 2.667,406 1.472,407 3.627,408 2.157,409 1.169,410 1.72,411 3.034,412 1.15,413 2.5,414 1.125,415 3.295,416 2,417 1,418 1.5,419 2.136,420 1,421 21.233,422 0.506,423 1.042,424 0.025,425 60,426 1.429,427 35,428 0.833,429 25,430 0.595,431 35.884,432 0.854,433 42.367,434 0.605,435 51.301,436 1.221,437 11.914,438 0.284,439 8.388,440 0.2,441 0.133,442 0.039,443 0.259,447 0.588,448 1.048,449 0.552,450 0.968,451 0.641,452 0.837,453 0.817,454 0.95,455 0.655,456 0.86,457 0.597,458 0.895,459 0.994,460 1.141,461 0.961,462 1.116,463 0.968,464 1.078,465 0.925,466 1.075,467 0.698,468 0.979,469 0.872,470 1.038,471 0.947,472 1.057,473 0.804,474 1.068,475 0.983,476 0.948,477 1.187,478 0.898,479 0.753,480 0.802,481 1.433,482 0.939,483 0.859,484 0.971,485 1.099,486 1.025,487 1.014,488 1.011,489 1.019,490 0.996,491 0.731,492 0.988,493 1.167,494 0.992,495 9.5,496 0.293,497 4.667,498 2.625,499 2.751,500 1.174,501 0.793,502 0.752,503 0.402,504 0.411,505 34906,506 103102,507 2.082,508 40,509 2,510 25,513 1,517 1.807,518 1.961,519 4.068,520 -0.431,525 109.86,526 1.569,527 3.331,528 4.509,529 5.542,530 5.822,531 5.861,532 3.518,533 5.011,534 5.361,535 4.31,536 3710.82,537 9.454,538 71378.3,542 429.05,543 1.446,544 5.325,545 0.207,546 0.006,547 0.073,548 0.04,549 0.044,550 0.019,551 0.014,552 0.014,553 0.008,554 0.009,555 0.433,556 0.17,557 0.63,558 0.622,559 246.263,560 0.063,561 -0.038,562 0.049,563 -0.046,564 -0.125,565 0.028,566 0.137,567 0.048,568 0.005,569 0.032,570 0.184,571 -0.017,572 -0.06,573 -0.156,574 -0.061,575 -0.141,576 -0.085,577 -0.137,578 0.215,579 -0.073,580 0.06,581 -0.024,582 0.242,583 -0.084,584 0.072,585 -0.055,586 0.1,587 -0.075,588 0.082,589 0.047,590 -0.104,591 0.1,592 -0.017,593 0.087,594 -0.145,595 0.014,596 -0.028,597 0.021,598 -0.043,599 -0.036,600 -0.021,601 -0.012,602 -0.1,603 -0.003,604 -0.046,605 -0.019,606 -0.07,607 -0.006,608 5.061,609 5.849,610 0.667,611 64.599,612 1.006,613 1.102,614 5.275,615 27.829,616 0.728,617 3.85,618 4.174,619 4.407,620 4.654,621 4.883,622 4.844,623 4.963,624 5.081,625 5.231,626 5.298,627 10.367,628 0.688,629 642.6,630 3.85,631 5.398,632 6.236,633 7.112,634 7.967,635 8.844,636 9.706,637 10.584,638 11.449,639 12.328,640 1.4,644 1,650 2,651 18,656 8,658 29,668 2,669 1,670 70,671 33,672 5,673 46,674 1,675 74,676 34,677 28,678 10,679 18,680 3,681 5,682 6,691 1,693 31,694 3,696 4,697 1,698 3,699 2,701 1,707 28,708 6,709 1,710 8,711 2,714 1,717 0.8,718 5,731 5,735 1,741 2,748 4,750 1,751 1,752 1,756 42,758 1,760 2,761 1,762 2,772 1,773 7.1,776 3,778 2,779 21.417,780 12.81,781 9.208,782 3.897,785 6.13,786 1.699,787 1.011,788 9.433,789 14.905,790 4.182,791 4.82,792 5.368,793 5.943,794 6.506,795 6.666,796 7.064,797 7.457,798 7.906,799 8.16,800 0.917,801 66,802 15.888,803 7.1,804 7.821,805 29.486,806 24.208,807 2.321,808 97.5,812 317.82,813 251.028,814 62.359,816 91.458,818 5.807,819 291.175,820 409.277,821 16.405,822 10.883,823 23.532,824 195.332,825 74.163,826 54.981,828 317.82,829 45.954,830 317.82,831 261.625,832 91.458,833 5.807,834 45.954,835 317.82,836 91.458,839 23.532,840 219.141,841 24.76,842 45.954,843 317.82,844 107.863,845 296.982,847 5.807,848 317.82,849 44.812,850 200.408,851 62.359,852 91.458,853 317.82,854 107.863,855 296.982,857 0.58,858 0.333,859 0.181,860 0.102,861 29,862 13,863 0.135,864 10,865 1,866 1.071,867 5.234,868 410.618,869 0.071,870 28,871 220.477,873 1,874 29.591,875 13.388,876 7.697,877 2.178,878 107.863,879 34.666,884 5.403,886 16.405,887 722.664,888 64.5,889 -4.144,890 38.319,891 2.841,893 -0.761,895 70.414,896 77.12,897 0.256,898 0.543,899 0.736,900 0.904,901 0.95,902 0.956,903 5.408,904 2.077,905 6.232,906 6.249,907 4.86,908 5.509,909 2.076,910 7.045,911 4.787,912 6.644,913 2.043,914 7.794,915 5.832,916 4.511,917 5.453,919 8.116,920 4.353,921 7.976,922 1.618,923 9.466,924 5.709,925 6.488,926 7.804,927 2.063,928 11.165,929 6.336,930 9.348,931 1.516,932 11.208,933 4.4,934 6.957,935 8.569,937 13.128,938 6.702,939 10.755,940 1.491,941 13.001,942 4.078,943 8.427,944 10.418,945 2.131,946 15.785,947 8.169,948 12.188,949 1.413,950 14.831,951 3.256,952 9.283,953 11.573,955 18.114,956 8.914,957 13.644,958 1.169,959 16.691,960 3.148,961 10.564,962 13.225,963 2.256,964 20.68,965 10.168,966 3.445,967 1,968 18.576,969 3.034,970 11.607,971 14.574,973 23.15,974 11.1,975 2.989,976 12.951,977 20.482,978 2.136,979 12.824,980 16.147,981 2.422,982 25.701,983 12.263,984 2.849,985 9.432,986 22.404,987 4.751,988 13.957,989 17.592,991 28.225,992 13.287,993 2.569,994 9.101,995 24.341,996 4.376,997 15.16,998 19.137,999 2.618,1000 30.777,1001 14.415,1002 2.548,1003 7.841,1004 26.29,1005 3.857,1006 16.336,1007 20.629,1009 33.322,1010 15.484,1011 2.357,1012 7.163,1013 28.248,1014 3.576,1015 17.541,1016 22.165,1017 2.836,1018 35.878,1019 16.601,1020 2.193,1021 6.828,1022 30.215,1023 3.45,1024 18.74,1025 23.681,1027 38.432,1028 17.693,1029 32747,1030 56673,1031 30.8,1032 50.938,1033 68.703,1034 70.605,1035 69.575,1036 68.353,1037 68.153,1038 94.298,1039 7.341,1040 194.654,1041 65.498,1042 5.749,1043 6.715,1044 7.213,1045 5.426,1046 5.445,1047 7.751,1048 2.302,1049 20.74,1050 5.132,1051 20.471,1052 1.494,1053 1.535,1054 1.512,1055 1.486,1056 1.482,1057 2.05,1058 0.16,1059 4.232,1060 1.424,1061 4.123,1062 4.135,1063 6.88,1064 4.09,1065 7.718,1066 4.069,1067 4.064,1068 4.041,1069 4.735,1070 4.045,1071 7.428,1072 3.977,1073 3.925,1074 3.947,1075 4.061,1076 3.879,1077 6.999,1078 3.872,1079 3.898,1080 3.926,1081 3.87,1082 3.841,1083 4.955,1084 3.833,1085 3.682,1086 3.684,1087 3.826,1088 3.603,1089 4.829,1090 3.542,1091 3.528,1092 3.554,1093 3.632,1094 3.44,1095 4.763,1096 3.434,1097 3.432,1098 3.428,1099 3.466,1100 3.334,1101 4.741,1102 3.308,1103 3.253,1104 3.312,1105 3.414,1106 3.039,1107 4.498,1108 3.038,1109 0.106,1110 0.102,1111 0.161,1112 0.095,1113 0.075,1114 4.895,1115 0.103,1116 4.715,1117 0.025,1118 7.412,1119 0.282,1120 4.363,1121 0.068,1122 3.445,1123 4.751,1124 1.151,1125 12.951,1126 3.132,1127 2.085,1128 2.069,1129 2.167,1130 2.141,1131 1.338,1132 2.15,1133 1.953,1134 1.967,1135 2.042,1136 2.025,1137 1.176,1138 2.052,1139 1.926,1140 1.908,1141 2.024,1142 1.996,1143 1.161,1144 2.014,1145 1.899,1146 1.872,1147 1.917,1148 1.975,1149 1.129,1150 1.993,1151 1.566,1152 1.561,1153 1.682,1154 1.741,1155 0.818,1156 1.741,1157 1.511,1158 1.486,1159 1.636,1160 1.638,1161 0.682,1162 1.649,1163 1.337,1164 1.347,1165 1.563,1166 1.508,1167 0.61,1168 1.531,1169 1.194,1170 1.132,1171 1.443,1172 1.458,1173 0.573,1174 1.497,1175 4.533,1177 5.855,1179 7.37,1181 8.972,1183 10.62,1184 3.259,1185 1.37,1190 1.148,1191 2.092,1192 11.128,1199 48.183,1200 109.86,1201 233.146,1202 315.627,1203 387.93,1204 407.54,1205 410.295,1206 92.005,1207 8.775,1208 81.7,1209 90.08,1210 30,1211 12.868,1212 5.087,1213 4.285,1214 69.277,1215 260,1216 282,1217 0.124,1218 302.925,1219 530.96,1220 730.897,1221 110971,1222 1.4,1223 29.529,1224 0.703,1225 0.6,1226 30.779,1227 25.191,1228 20.302,1229 0.441,1230 0.336,1231 13.21,1232 18.462,1233 12.682,1234 10.542,1235 21.7,1236 15.44,1237 18.568,1238 0.29,1239 0.19,1240 20.667,1241 12.158,1242 14.929,1243 0.184,1244 0.105,1245 16.57,1246 8.5,1247 12.449,1248 0.12,1249 0.06,1250 14.185,1251 6.193,1252 10.379,1253 0.079,1254 0.034,1255 12.225,1256 4.485,1257 0.204,1258 142.377,1259 0.18,1260 38.305,1261 0.319,1262 220,1263 660.525,1264 337.415,1265 697.749,1266 933.94,1267 646,1268 255,1269 621.473,1270 345.245,1271 685.846,1272 992.44,1273 641,1274 6.301}
{0 CHEMBL217988,1 1.444,2 12.613,3 7.727,4 59.702,5 128.917,6 8.554,7 0.545,8 4.041,9 4.127,10 3.716,11 3.7,12 5.218,13 3.657,14 4.513,15 4.637,16 4.072,17 4.06,18 5.745,19 3.992,20 4.754,21 4.91,22 4.182,23 4.203,24 5.851,25 4.103,26 4.841,27 5.023,28 4.196,29 4.17,30 5.929,31 4.044,32 4.772,33 4.983,34 3.906,35 4.091,36 5.758,37 3.969,38 4.778,39 4.981,40 4.04,41 4.105,42 5.85,43 4.007,44 4.766,45 4.938,46 4.131,47 4.158,48 5.936,49 4.054,50 4.807,51 5.019,52 4,53 4.133,54 5.843,55 4,56 0.034,57 0.582,58 8.423,59 4.771,60 10.321,61 5.852,62 0.187,63 0.937,64 16.289,65 8.034,66 38.245,67 9.986,68 0.185,69 1.184,70 25.661,71 10.782,72 37.425,73 13.306,74 0.529,75 1.272,76 39.867,77 12.349,78 59.47,79 15.018,80 0.215,81 1.261,82 27.887,83 11.424,84 36.99,85 14.812,86 0.29,87 1.251,88 27.457,89 11.252,90 47.106,91 14.021,92 0.282,93 1.195,94 27.944,95 11.019,96 58.589,97 13.356,98 0.33,99 1.258,100 35.226,101 12.211,102 55.672,103 15.458,104 29,105 44,106 0.238,107 0.566,108 0.759,109 0.871,110 0.892,111 0.892,112 3.471,113 0.956,114 -7.2,115 -6.99,116 -6.46,118 49.1,119 1,120 1,124 1,129 4,133 10,134 5,135 3,145 1,150 1,153 1,154 19,155 1,158 4,160 1,162 1,164 28,165 1,167 4,170 1,171 24,172 1,175 7,179 1,180 21,181 2,184 5,189 2,192 16,193 3,196 4,200 3,202 21,203 2,206 4,210 2,211 27,212 1,215 4,219 1,222 24,223 1,226 3,230 1,233 22,234 1,236 1832,237 20.69,238 20.69,239 20.69,240 20.69,241 20.69,242 17.81,243 18.823,244 12.434,245 21.028,246 16.27,247 16.27,248 16.27,249 16.27,250 16.27,251 12.022,252 18.658,253 5.886,254 16.929,255 4.284,256 2.296,257 1.122,258 0.444,259 0.316,260 0.316,261 4.154,262 2,266 1,267 817,268 3.742,271 327.15,277 1.883,278 27.302,280 0.75,281 0.67,282 0.83,283 0.5,284 0.5,285 0.83,286 1,287 0.73,288 65.667,289 391,290 4.339,291 3.474,292 6.393,293 3.918,294 2.981,295 3.994,296 1.437,297 9.651,298 2.861,299 4.268,300 3.415,301 6.168,302 3.857,303 2.881,304 3.927,305 1.151,306 9.153,307 2.819,308 4.22,309 3.083,310 6.136,311 3.826,312 2.84,313 3.846,314 0.68,315 9.033,316 2.675,317 3.629,318 2.989,319 4.96,320 3.207,321 2.201,322 2.878,324 5.824,325 2.188,326 3.489,327 2.623,328 4.841,329 3.118,330 2.136,331 2.813,333 5.237,334 2.097,335 3.232,336 2.451,337 4.693,338 2.76,339 1.879,340 2.481,342 5.104,343 1.733,344 3.179,345 2.103,346 4.457,347 2.707,348 1.786,349 2.335,351 4.547,352 1.554,353 2.962,354 1.922,355 4.348,356 2.572,357 1.588,358 2.113,360 4.216,361 1.472,362 2.929,363 1.625,364 4.028,365 2.476,366 1.479,367 2.096,369 3.543,370 1.441,371 2.885,372 1.505,373 3.641,374 2.444,375 1.448,376 2.035,378 3.087,379 1.44,380 2.548,381 1.284,382 3.386,383 2,384 1,385 1.462,387 2.263,388 1,389 2.314,390 1.158,391 3.296,392 1.762,393 0.877,394 1.022,395 1.958,396 0.743,397 2.076,398 0.878,399 2.951,400 1.597,401 0.595,402 0.941,403 1.303,404 0.591,405 1.5,406 0.869,407 2.791,408 1.188,409 0.267,410 0.312,411 0.632,412 0.223,413 1.327,414 0.43,415 2.537,416 0.932,417 -0.022,418 -0.028,419 -0.052,420 -0.02,421 15.429,422 0.498,423 0.736,424 0.024,425 41,426 1.323,427 23,428 0.742,429 18,430 0.581,431 25.897,432 0.835,433 31.971,434 0.603,435 31.853,436 1.028,437 8.535,438 0.275,439 6.401,440 0.206,441 0.168,443 0.292,447 0.696,448 0.959,449 0.585,450 0.832,451 0.717,452 0.827,453 0.678,454 1.025,455 0.674,456 0.895,457 0.453,458 0.919,459 0.918,460 1.124,461 0.94,462 1.039,463 0.783,464 1.055,465 0.922,466 1.054,467 1.128,468 1.16,469 0.714,470 1.132,471 0.704,472 1.04,473 0.734,474 0.986,475 0.569,476 1.003,477 0.973,478 0.894,479 0.646,480 0.78,481 0.871,482 0.826,483 1.108,484 1.008,485 0.952,486 0.937,487 1.26,488 0.98,489 0.933,490 0.888,491 1.079,492 0.953,493 0.844,494 0.954,495 6,496 0.202,497 3.778,498 1.75,499 1.249,500 0.896,501 0.693,502 0.477,503 0.377,504 0.188,505 13167,506 43201,507 2.012,508 41.5,509 5,510 16,513 1,517 1.738,518 1.879,519 3.593,520 -0.425,525 76.506,526 1.444,527 3.432,528 4.606,529 5.284,530 5.412,531 5.412,532 3.06,533 4.696,534 4.927,535 3.813,536 1772.82,537 8.611,538 26574.5,542 303.58,543 1.418,544 4.881,545 0.182,546 0.008,547 0.086,548 0.039,549 0.032,550 0.024,551 0.017,552 0.011,553 0.01,554 0.006,555 0.414,556 0.5,557 0.88,558 1.064,559 163.525,560 -0.039,561 0.037,562 0.002,563 0.034,564 -0.099,565 0.033,566 0.092,567 -0.033,568 0.027,569 0.008,570 0.193,571 -0.017,572 -0.066,573 -0.144,574 -0.047,575 -0.09,576 -0.063,577 -0.109,578 0.088,579 -0.083,580 -0.029,581 -0.163,582 -0.002,583 -0.148,584 0.003,585 -0.044,586 0.015,587 -0.032,588 0.026,589 -0.005,590 -0.052,591 0.106,592 0.116,593 0.173,594 0.001,595 0.155,596 -0.118,597 -0.025,598 -0.026,599 0.027,600 -0.096,601 -0.023,602 -0.074,603 0.092,604 -0.043,605 0.051,606 -0.05,607 0.065,608 2.634,609 3.827,610 0.581,611 32.674,612 1.004,613 1.104,614 5.969,615 35.625,616 0.721,617 3.526,618 3.807,619 4.007,620 4.19,621 4.357,622 4.331,623 4.344,624 4.443,625 4.554,626 4.575,627 7.645,628 0.682,629 453.38,630 3.526,631 5.043,632 5.861,633 6.708,634 7.542,635 8.392,636 9.232,637 10.083,638 10.926,639 11.778,651 10,656 8,658 18,668 1,669 2,670 53,671 21,672 3,673 33,675 55,676 26,677 18,678 8,679 10,680 5,681 3,682 3,683 2,685 1,691 1,693 23,694 3,696 3,698 1,699 4,701 1,707 22,708 3,709 1,710 5,711 2,717 1,718 3,731 3,739 1,741 4,746 1,748 3,752 1,753 2,756 31,759 1,760 2,762 1,772 2,773 5.7,775 1,776 1,778 1,779 16.5,780 9.736,781 6.944,782 3.01,785 4.661,786 1.628,787 0.956,788 8.214,789 12.08,790 3.829,791 4.401,792 4.925,793 5.421,794 5.918,795 5.997,796 6.217,797 6.578,798 6.954,799 7.298,800 1,801 45,802 11.391,803 4.695,804 7.846,805 21.518,806 17.038,807 2.346,808 72.722,812 247.193,813 177.702,815 78.297,816 78.828,819 177.702,820 404.319,822 8.825,823 7.127,824 132.667,825 68.738,826 39.172,828 247.193,829 78.297,830 247.193,831 177.702,832 78.828,833 78.297,835 247.193,836 78.828,839 15.952,840 123.845,841 116.202,843 247.193,844 78.828,845 255.999,848 247.193,849 36.209,850 141.493,852 157.125,853 247.193,854 78.828,855 255.999,857 0.573,858 0.321,859 0.166,860 0.089,861 18,862 9,863 0.145,864 8,866 1,867 4.253,868 259.669,870 18,871 147.58,874 22.985,875 11.079,876 6.646,878 78.828,879 19.077,884 6.606,886 42.683,887 582.021,888 45,890 10.827,891 6.806,893 -0.967,895 53.233,896 58.499,897 0.252,898 0.599,899 0.804,900 0.923,901 0.945,902 0.945,903 5.034,904 1.588,905 5.826,906 4.547,907 4.489,908 5.088,909 2.164,910 6.575,911 4.409,912 6.238,913 1.479,914 7.352,915 4.216,916 4.007,917 4.796,919 7.391,920 3.836,921 7.527,922 1.448,923 8.979,924 3.543,925 6.023,926 7.244,927 2.599,928 10.441,929 5.883,930 8.852,931 1,932 10.666,933 3.087,934 6.347,935 7.751,937 12.099,938 6.112,939 10.205,940 0.877,941 12.393,942 2.263,943 7.832,944 9.666,945 3.154,946 14.651,947 7.621,948 11.579,949 0.595,950 14.148,951 1.958,952 8.542,953 10.569,955 16.647,956 8.245,957 12.971,958 0.267,959 15.923,960 1.303,961 9.798,962 12.234,963 3.774,964 19.016,965 9.508,966 2.981,967 -0.022,968 17.712,969 0.632,970 10.697,971 13.348,973 21.15,974 10.334,975 2.881,976 9.651,977 19.513,978 -0.052,979 11.851,980 14.882,981 4.432,982 23.445,983 11.478,984 2.84,985 9.153,986 21.322,987 3.994,988 12.84,989 16.109,991 25.638,992 12.407,993 2.201,994 9.033,995 23.137,996 3.927,997 13.948,998 17.572,999 5.115,1000 27.901,1001 13.494,1002 2.136,1003 5.824,1004 24.957,1005 3.846,1006 14.981,1007 18.862,1009 30.121,1010 14.475,1011 1.879,1012 5.237,1013 26.781,1014 2.878,1015 16.068,1016 20.285,1017 5.813,1018 32.372,1019 15.534,1020 1.786,1021 5.104,1022 28.608,1023 2.813,1024 17.121,1025 21.61,1027 34.603,1028 16.542,1029 12938,1030 23593,1031 21.671,1032 38.216,1033 48.957,1034 49.781,1035 49.511,1036 48.22,1037 47.916,1038 64.51,1039 6.535,1040 131.104,1041 45.673,1042 5.181,1043 5.474,1044 6.084,1045 4.978,1046 4.981,1047 6.994,1048 2.873,1049 16.21,1050 4.861,1051 17.03,1052 1.484,1053 1.509,1054 1.5,1055 1.461,1056 1.452,1057 1.955,1058 0.198,1059 3.973,1060 1.384,1061 4.013,1062 4.034,1063 4.105,1064 3.957,1065 7.476,1066 3.952,1067 3.927,1068 3.947,1069 3.931,1070 3.879,1071 6.351,1072 3.872,1073 3.882,1074 3.901,1075 3.851,1076 3.842,1077 5.026,1078 3.833,1079 3.553,1080 3.568,1081 3.582,1082 3.407,1083 4.837,1084 3.412,1085 3.456,1086 3.503,1087 3.488,1088 3.351,1089 4.747,1090 3.346,1091 3.28,1092 3.325,1093 3.335,1094 3.093,1095 4.632,1096 3.097,1097 3.063,1098 3.142,1099 3.151,1100 2.934,1101 4.332,1102 2.913,1103 2.981,1104 3.011,1105 3.059,1106 2.849,1107 4.246,1108 2.82,1109 0.131,1110 0.105,1111 0.194,1112 0.119,1113 0.09,1114 4.339,1115 0.121,1116 3.474,1117 0.044,1118 6.393,1119 0.292,1120 3.918,1121 0.087,1122 2.981,1123 3.994,1124 1.437,1125 9.651,1126 2.861,1127 1.976,1128 1.954,1129 2.084,1130 2.05,1131 1.239,1132 2.061,1133 1.921,1134 1.903,1135 2.023,1136 1.998,1137 1.157,1138 2.008,1139 1.877,1140 1.86,1141 1.948,1142 1.935,1143 1.115,1144 1.953,1145 1.508,1146 1.475,1147 1.714,1148 1.681,1149 0.825,1150 1.675,1151 1.453,1152 1.419,1153 1.621,1154 1.608,1155 0.636,1156 1.623,1157 1.244,1158 1.195,1159 1.522,1160 1.476,1161 0.61,1162 1.489,1163 1.092,1164 1.022,1165 1.407,1166 1.295,1167 0.555,1168 1.34,1169 0.966,1170 0.91,1171 1.232,1172 1.16,1173 0.332,1174 1.167,1175 4.205,1177 5.493,1179 6.969,1181 8.535,1183 10.147,1185 2.026,1186 12.503,1189 8.883,1190 0.926,1192 6.035,1199 36.121,1200 76.506,1201 181.896,1202 244.096,1203 280.07,1204 286.825,1205 286.825,1206 62.525,1207 7.419,1208 46.53,1209 46.53,1210 18,1211 12.336,1212 4.459,1213 3.7,1214 58.177,1215 140,1216 137,1217 0.194,1218 231.517,1219 413.69,1220 556.661,1221 19363,1222 3.8,1223 22.217,1224 0.717,1225 0.598,1226 23.217,1227 18.529,1228 14.936,1229 0.453,1230 0.319,1231 9.753,1232 14.076,1233 9.39,1234 7.822,1235 15.513,1236 10.512,1237 13.272,1238 0.302,1239 0.178,1240 14.013,1241 7.821,1242 10.385,1243 0.192,1244 0.1,1245 11.102,1246 5.403,1247 8.256,1248 0.127,1249 0.056,1250 9.003,1251 3.613,1252 6.396,1253 0.083,1254 0.029,1255 6.706,1256 2.235,1257 0.311,1258 98.027,1259 0.215,1260 29.502,1261 0.517,1262 154,1263 462.028,1264 193.01,1265 511.449,1266 666.9,1267 474,1268 175,1269 427.847,1270 205.065,1271 458.692,1272 661.68,1273 430,1274 6.301}
{0 CHEMBL218071,1 1.62,2 13.441,3 6.272,4 39.342,5 138.547,6 9.58,7 0.622,8 4.117,9 4.193,10 4.018,11 3.81,12 5.249,13 3.754,14 4.616,15 4.724,16 4.35,17 4.187,18 5.949,19 4.115,20 4.854,21 4.994,22 4.459,23 4.336,24 6.013,25 4.238,26 4.949,27 5.109,28 4.537,29 4.313,30 6.32,31 4.199,32 4.927,33 5.112,34 4.517,35 4.232,36 6.161,37 4.138,38 4.881,39 5.076,40 4.219,41 4.161,42 6.098,43 4.055,44 4.762,45 4.945,46 4.253,47 4.117,48 5.971,49 4.004,50 4.69,51 4.862,52 4.06,53 4.053,54 5.903,55 3.947,56 0.087,57 0.682,58 9.097,59 5.336,60 16.531,61 5.83,62 0.373,63 1.098,64 16.407,65 8.967,66 55.032,67 10.106,68 0.284,69 1.4,70 32.236,71 12.642,72 50.963,73 13.666,74 0.744,75 1.548,76 42.96,77 14.158,78 120.55,79 15.274,80 0.489,81 1.535,82 43.507,83 14.176,84 69.934,85 15.48,86 0.564,87 1.459,88 33.481,89 12.424,90 95.455,91 13.845,92 0.388,93 1.29,94 40.259,95 12.03,96 61.09,97 13.016,98 0.325,99 1.209,100 30.415,101 11.194,102 62.781,103 11.961,104 27,105 52,106 0.26,107 0.541,108 0.702,109 0.855,110 0.891,111 0.903,112 3.56,113 1.036,114 -5.9,115 -5.76,116 -5.36,117 1,118 48.2,120 1,123 1,129 2,133 14,134 5,135 3,145 1,154 22,157 1,158 2,160 3,162 1,164 31,167 5,170 2,171 30,174 4,175 5,177 1,179 2,180 22,184 10,189 4,192 20,195 1,196 7,200 3,202 19,206 9,210 2,211 19,215 9,219 2,222 17,226 8,230 2,233 14,236 2100,237 22.772,238 22.772,239 22.772,240 22.772,241 22.772,242 19.455,243 17.785,244 13.41,245 23.241,246 18.223,247 18.223,248 18.223,249 18.223,250 18.223,251 13.107,252 18.856,253 6.302,254 18.948,255 4.187,256 2.445,257 1.443,258 0.491,259 0.263,260 0.192,261 4.254,267 982,268 4.243,271 434.394,275 158.208,277 2.121,278 39.18,280 0.5,281 0.67,282 0.83,283 0.5,285 0.83,286 1,287 0.62,288 72.25,289 457,290 4.895,291 4.715,292 7.412,293 4.363,294 3.445,295 4.751,296 0.98,297 12.951,298 3.132,299 4.415,300 3.428,301 6.211,302 3.96,303 2.96,304 4.338,305 0.86,306 9.337,307 2.959,308 4.228,309 3.116,310 6.136,311 3.827,312 2.827,313 3.855,314 0.68,315 9.043,316 2.826,317 3.992,318 2.901,319 5.776,320 3.519,321 2.568,322 3.576,324 7.841,325 2.437,326 3.664,327 2.867,328 5.249,329 3.253,330 2.256,331 3.04,333 6.635,334 2.241,335 3.576,336 2.633,337 4.982,338 3.15,339 2.159,340 2.882,342 5.836,343 2.13,344 3.417,345 2.385,346 4.95,347 2.933,348 2.063,349 2.707,351 5.712,352 1.662,353 3.118,354 1.653,355 4.429,356 2.618,357 1.618,358 2.427,360 4.392,361 1.618,362 2.967,363 1.618,364 4.331,365 2.529,366 1.528,367 2.121,369 4.082,370 1.528,371 2.925,372 1.487,373 4.187,374 2.452,375 1.452,376 2.12,378 3.257,379 1.452,380 2.829,381 1.476,382 3.635,383 2.359,384 1.359,385 1.97,387 3.061,388 1.359,389 2.667,390 1.389,391 3.607,392 2.157,393 1.169,394 1.72,395 2.967,396 1.15,397 2.327,398 1.125,399 3.272,400 1.708,401 0.708,402 1.047,403 1.634,404 0.708,405 2.187,406 0.871,407 3.183,408 1.629,409 0.643,410 0.974,411 1.44,412 0.625,413 1.783,414 0.733,415 3.004,416 1.458,417 0.602,418 0.695,419 1.035,420 0.49,421 17.4,422 0.512,423 0.905,424 0.027,425 48.5,426 1.426,427 28.5,428 0.838,429 20,430 0.588,431 27.746,432 0.816,433 34.2,434 0.611,435 39.288,436 1.156,437 9.551,438 0.281,439 6.802,440 0.2,441 0.163,442 0.048,443 0.259,447 0.527,448 1.044,449 0.542,450 0.958,451 0.629,452 0.82,453 0.676,454 0.929,455 0.637,456 0.832,457 0.563,458 0.878,459 0.917,460 1.115,461 0.956,462 1.096,463 0.959,464 1.056,465 0.813,466 1.08,467 0.683,468 0.972,469 0.858,470 1.049,471 0.878,472 1.133,473 0.81,474 1.138,475 0.995,476 1.007,477 1.24,478 0.889,479 0.739,480 0.774,481 1.473,482 0.916,483 1.068,484 0.944,485 1.19,486 1.03,487 1.125,488 0.98,489 1.178,490 1.022,491 0.773,492 1.023,493 1.31,494 0.987,495 8,496 0.235,497 4.222,498 2.5,499 2.289,500 1.021,501 0.651,502 0.573,503 0.312,504 0.304,505 17787,506 54148,507 2.052,508 39.3,509 2,510 19,513 1,517 1.759,518 1.915,519 3.699,520 -0.392,525 90.722,526 1.62,527 3.362,528 4.364,529 5.316,530 5.544,531 5.615,532 3.125,533 4.676,534 5.063,535 3.911,536 2194.2,537 8.867,538 34635.1,542 325.212,543 1.533,544 5.01,545 0.216,546 0.007,547 0.081,548 0.046,549 0.045,550 0.021,551 0.015,552 0.014,553 0.008,554 0.008,555 0.462,556 0.17,557 0.75,558 0.706,559 184.291,560 0.078,561 -0.032,562 0.046,563 -0.047,564 -0.128,565 0.032,566 0.206,567 0.068,568 0.009,569 0.044,570 0.204,571 -0.009,572 -0.047,573 -0.134,574 -0.059,575 -0.125,576 -0.086,577 -0.117,578 0.291,579 -0.078,580 0.059,581 -0.026,582 0.256,583 -0.104,584 0.109,585 -0.131,586 0.089,587 -0.146,588 0.071,589 -0.013,590 -0.092,591 0.114,593 0.11,594 -0.146,595 0.044,596 -0.065,597 0.055,598 -0.055,599 -0.019,600 -0.036,601 0.013,602 -0.136,603 -0.022,604 -0.061,605 -0.039,606 -0.094,607 -0.014,608 5.031,609 5.734,610 0.647,611 34.927,612 1.008,613 1.101,614 4.67,615 21.812,616 0.736,617 3.638,618 3.97,619 4.205,620 4.454,621 4.663,622 4.595,623 4.673,624 4.745,625 4.844,626 4.828,627 8.091,628 0.694,629 536.47,630 3.638,631 5.187,632 6.028,633 6.911,634 7.769,635 8.652,636 9.516,637 10.399,638 11.266,639 12.148,640 1.8,644 1,650 2,651 14,656 6,658 23,668 1,669 1,670 56,671 27,672 4,673 37,674 1,675 59,676 27,677 22,678 8,679 14,680 3,681 4,682 5,691 1,693 25,694 2,696 4,697 1,698 3,699 2,701 1,707 22,708 5,709 1,710 7,711 2,714 1,717 0.75,718 4,731 4,735 1,741 2,748 3,750 1,751 1,752 1,756 34,758 1,760 1,761 1,762 1,772 1,773 7.1,776 3,778 1,779 17.75,780 10.31,781 7.458,782 3.091,785 5.241,786 1.661,787 1.011,788 7.4,789 13.167,790 3.98,791 4.63,792 5.183,793 5.764,794 6.316,795 6.47,796 6.839,797 7.193,798 7.592,799 7.723,800 0.889,801 54,802 12.917,803 5.838,804 7.887,805 23.757,806 19.534,807 2.387,808 81.167,812 247.193,813 200.102,814 62.359,816 80.458,818 5.807,819 240.248,820 327.651,821 16.405,822 10.883,823 18.94,824 157.427,825 74.163,826 35.552,828 247.193,829 45.954,830 247.193,831 210.699,832 80.458,833 5.807,834 45.954,835 247.193,836 80.458,839 18.94,840 172.807,841 24.76,842 45.954,843 247.193,844 96.863,845 246.056,847 5.807,848 247.193,849 31.791,850 162.503,851 62.359,852 80.458,853 247.193,854 96.863,855 246.056,857 0.582,858 0.338,859 0.185,860 0.104,861 24,862 11,863 0.119,864 7,865 1,866 1.091,867 4.462,868 310.694,869 0.091,870 22,871 170.974,873 1,874 24.06,875 10.458,876 5.899,877 2.347,878 96.863,879 26.794,884 3.588,886 16.405,887 590.112,888 52.5,889 -4.114,890 37.945,891 2.848,893 -0.748,895 56.436,896 61.665,897 0.279,898 0.579,899 0.752,900 0.915,901 0.955,902 0.967,903 5.208,904 1.618,905 6.038,906 5.712,907 4.654,908 5.318,909 1.672,910 6.872,911 4.583,912 6.456,913 1.528,914 7.616,915 4.392,916 4.369,917 5.33,919 8.015,920 4.203,921 7.8,922 1.452,923 9.307,924 4.082,925 6.308,926 7.646,927 1.474,928 11.064,929 6.157,930 9.187,931 1.359,932 11.07,933 3.257,934 6.836,935 8.472,937 13.075,938 6.571,939 10.608,940 1.169,941 12.883,942 3.061,943 8.288,944 10.3,945 1.329,946 15.738,947 8.024,948 12.055,949 0.708,950 14.732,951 2.967,952 9.187,953 11.5,955 18.088,956 8.806,957 13.524,958 0.643,959 16.61,960 1.634,961 10.464,962 13.142,963 1.22,964 20.659,965 10.054,966 3.445,967 0.602,968 18.51,969 1.44,970 11.534,971 14.518,973 23.138,974 11.011,975 2.96,976 12.951,977 20.429,978 1.035,979 12.754,980 16.088,981 1.136,982 25.691,983 12.174,984 2.827,985 9.337,986 22.362,987 4.751,988 13.903,989 17.547,991 28.219,992 13.213,993 2.568,994 9.043,995 24.308,996 4.338,997 15.11,998 19.091,999 1.069,1000 30.772,1001 14.343,1002 2.256,1003 7.841,1004 26.263,1005 3.855,1006 16.295,1007 20.59,1009 33.319,1010 15.421,1011 2.159,1012 6.635,1013 28.227,1014 3.576,1015 17.505,1016 22.127,1017 1.013,1018 35.875,1019 16.539,1020 2.063,1021 5.836,1022 30.198,1023 3.04,1024 18.709,1025 23.647,1027 38.43,1028 17.637,1029 16895,1030 29787,1031 24.444,1032 41.199,1033 55.453,1034 57.13,1035 56.6,1036 55.161,1037 54.928,1038 76.717,1039 5.04,1040 158.987,1041 52.845,1042 5.749,1043 6.715,1044 7.099,1045 5.426,1046 5.445,1047 7.751,1048 1.96,1049 20.74,1050 5.132,1051 17.396,1052 1.499,1053 1.544,1054 1.53,1055 1.491,1056 1.485,1057 2.073,1058 0.136,1059 4.297,1060 1.428,1061 4.115,1062 4.128,1063 6.88,1064 4.087,1065 7.718,1066 4.063,1067 4.063,1068 4.041,1069 4.735,1070 4.044,1071 7.428,1072 3.977,1073 3.922,1074 3.944,1075 4.049,1076 3.879,1077 6.999,1078 3.871,1079 3.682,1080 3.684,1081 3.867,1082 3.603,1083 4.91,1084 3.542,1085 3.505,1086 3.543,1087 3.632,1088 3.436,1089 4.827,1090 3.422,1091 3.43,1092 3.427,1093 3.447,1094 3.333,1095 4.742,1096 3.308,1097 3.253,1098 3.312,1099 3.388,1100 3.018,1101 4.388,1102 3.003,1103 3.11,1104 3.167,1105 2.997,1106 3.01,1107 4.316,1108 3,1109 0.132,1110 0.127,1111 0.2,1112 0.118,1113 0.093,1114 4.895,1115 0.128,1116 4.715,1117 0.026,1118 7.412,1119 0.35,1120 4.363,1121 0.085,1122 3.445,1123 4.751,1124 0.98,1125 12.951,1126 3.132,1127 2.087,1128 2.068,1129 2.174,1130 2.139,1131 1.336,1132 2.152,1133 1.953,1134 1.967,1135 2.038,1136 2.024,1137 1.174,1138 2.052,1139 1.925,1140 1.906,1141 1.917,1142 1.986,1143 1.159,1144 2.006,1145 1.567,1146 1.561,1147 1.701,1148 1.741,1149 0.821,1150 1.741,1151 1.513,1152 1.48,1153 1.638,1154 1.621,1155 0.682,1156 1.648,1157 1.337,1158 1.347,1159 1.563,1160 1.508,1161 0.573,1162 1.531,1163 1.194,1164 1.126,1165 1.381,1166 1.458,1167 0.527,1168 1.497,1169 1.135,1170 1.084,1171 1.247,1172 1.28,1173 0.502,1174 1.317,1175 4.317,1177 5.645,1179 7.169,1181 8.783,1183 10.443,1184 3.247,1185 1.371,1190 0.681,1191 2.08,1192 5.127,1199 38.888,1200 90.722,1201 188.299,1202 244.399,1203 297.702,1204 310.457,1205 314.457,1206 75.726,1207 7.926,1208 72.47,1209 80.85,1210 24,1211 12.685,1212 4.807,1213 4.044,1214 57.051,1215 168,1216 152,1217 0.162,1218 247.958,1219 432.25,1220 596.777,1221 37096,1222 1.8,1223 24.131,1224 0.71,1225 0.611,1226 25.381,1227 20.766,1228 16.353,1229 0.442,1230 0.345,1231 10.575,1232 14.643,1233 10.109,1234 8.41,1235 17.751,1236 12.772,1237 15.092,1238 0.29,1239 0.197,1240 17.191,1241 10.222,1242 12.039,1243 0.182,1244 0.109,1245 13.68,1246 7.189,1247 10.127,1248 0.119,1249 0.063,1250 11.862,1251 5.328,1252 8.323,1253 0.079,1254 0.037,1255 10.169,1256 3.863,1257 0.261,1258 117.771,1259 0.202,1260 31.788,1261 0.429,1262 178,1263 540.79,1264 291.872,1265 584.183,1266 776.52,1267 538,1268 207,1269 506.018,1270 293.591,1271 568.603,1272 822.25,1273 531,1274 6.301}
{0 CHEMBL218123,1 1.256,2 12.448,3 6.398,4 40.933,5 119.308,6 7.255,7 0.581,8 4.029,9 4.128,10 3.566,11 3.657,12 5.178,13 3.614,14 4.499,15 4.639,16 3.855,17 3.999,18 5.683,19 3.929,20 4.732,21 4.913,22 3.867,23 4.112,24 5.754,25 4.01,26 4.809,27 5.029,28 3.759,29 4.075,30 5.733,31 3.948,32 4.761,33 4.985,34 3.772,35 4.05,36 5.713,37 3.929,38 4.767,39 4.982,40 3.815,41 4.047,42 5.796,43 3.945,44 4.744,45 4.941,46 3.797,47 4.063,48 5.827,49 3.955,50 4.781,51 5.023,52 3.73,53 4.042,54 5.724,55 3.912,56 0.038,57 0.605,58 10.5,59 5.186,60 9.206,61 6.529,62 0.191,63 0.972,64 18.058,65 8.36,66 37.986,67 10.756,68 0.142,69 1.237,70 23.94,71 10.695,72 32.79,73 13.95,74 0.22,75 1.337,76 27.405,77 11.589,78 36.254,79 15.309,80 0.158,81 1.284,82 25.896,83 11.18,84 30.516,85 14.99,86 0.24,87 1.273,88 26.455,89 10.967,90 41.701,91 14.277,92 0.217,93 1.244,94 25.175,95 10.712,96 50.454,97 13.855,98 0.203,99 1.313,100 27.096,101 11.46,102 42.488,103 15.489,104 13,105 40,106 0.207,107 0.514,108 0.707,109 0.835,110 0.884,111 0.892,112 3.407,113 0.924,114 -6.26,115 -6.1,116 -5.67,118 49.1,119 1,120 1,124 1,129 4,133 12,134 5,135 1,145 1,150 1,153 1,154 23,155 1,158 4,160 1,162 1,164 27,165 1,167 6,170 1,171 24,172 1,175 5,179 1,180 18,181 2,184 5,189 2,192 20,193 3,196 4,200 3,202 23,203 2,206 4,210 2,211 25,212 1,215 4,219 1,222 24,223 1,226 3,230 1,233 20,234 1,236 1524,237 19.69,238 19.69,239 19.69,240 19.69,241 19.69,242 16.915,243 18.311,244 12.138,245 19.807,246 15.341,247 15.341,248 15.341,249 15.341,250 15.341,251 11.25,252 19.786,253 5.818,254 15.534,255 4.472,256 2.607,257 1.437,258 0.663,259 0.368,260 0.316,261 4.094,266 1,267 759,268 3.606,271 306.66,277 1.843,278 19.347,280 0.75,281 0.83,282 0.83,283 0.5,284 0.5,285 0.83,286 1,287 0.75,288 61,289 361,290 4.284,291 3.474,292 6.173,293 3.885,294 2.907,295 3.937,296 1.437,297 9.178,298 2.86,299 4.222,300 3.136,301 6.137,302 3.839,303 2.843,304 3.846,305 1.151,306 9.034,307 2.816,308 3.892,309 2.993,310 5.34,311 3.5,312 2.509,313 3.442,314 0.68,315 6.966,316 2.486,317 3.629,318 2.747,319 4.956,320 3.207,321 2.201,322 2.878,324 5.808,325 2.188,326 3.486,327 2.387,328 4.693,329 3.113,330 2.127,331 2.812,333 5.237,334 2.095,335 3.175,336 2.053,337 4.443,338 2.752,339 1.773,340 2.333,342 4.51,343 1.73,344 2.962,345 1.794,346 4.344,347 2.564,348 1.577,349 2.113,351 4.196,352 1.549,353 2.928,354 1.571,355 3.642,356 2.474,357 1.476,358 2.096,360 3.135,361 1.471,362 2.884,363 1.504,364 3.634,365 2.443,366 1.447,367 2.033,369 3.085,370 1.44,371 2.548,372 1.171,373 3.384,374 2,375 1,376 1.5,378 2.263,379 1,380 2.5,381 1.064,382 3.247,383 2,384 1,385 1.462,387 2.136,388 1,389 2.314,390 1,391 3.162,392 1.653,393 0.735,394 0.95,395 1.68,396 0.666,397 1.95,398 0.877,399 2.946,400 1.59,401 0.592,402 0.857,403 1.295,404 0.586,405 1.431,406 0.443,407 2.719,408 1.097,409 0.115,410 0.143,411 0.274,412 0.112,413 1.196,414 0.368,415 2.395,416 0.844,417 -0.137,418 -0.175,419 -0.32,420 -0.134,421 14,422 0.483,423 0.558,424 0.019,425 39.5,426 1.362,427 23,428 0.793,429 16.5,430 0.569,431 21.063,432 0.726,433 29.8,434 0.562,435 29.929,436 1.032,437 8.358,438 0.288,439 5.756,440 0.198,441 0.083,443 0.25,447 0.775,448 0.964,449 0.828,450 0.955,451 0.757,452 0.906,453 0.713,454 1.037,455 0.935,456 1.037,457 0.449,458 1.016,459 0.882,460 1.136,461 1.06,462 1.137,463 0.733,464 1.123,465 0.988,466 1.029,467 1.053,468 1.033,469 0.656,470 1.048,471 0.756,472 1.023,473 0.927,474 1.021,475 0.555,476 0.999,477 1.157,478 0.899,479 0.955,480 0.895,481 0.948,482 0.9,483 1.14,484 1.024,485 1.087,486 1.027,487 1.33,488 1.047,489 0.773,490 0.885,491 0.882,492 0.889,493 0.727,494 0.897,495 5,496 0.169,497 2.667,498 1,499 1.027,500 0.785,501 0.448,502 0.384,503 0.238,504 0.188,505 11353,506 30199,507 2.053,508 45.3,509 5,510 18,513 1,517 1.72,518 1.955,519 3.6,520 -0.473,525 66.574,526 1.256,527 3.121,528 4.291,529 5.065,530 5.36,531 5.412,532 3.069,533 4.418,534 4.829,535 3.783,536 1535.8,537 8.414,538 22028.6,542 303.58,543 1.233,544 4.804,545 0.161,546 0.007,547 0.067,548 0.026,549 0.03,550 0.022,551 0.012,552 0.011,553 0.007,554 0.006,555 0.35,556 0.5,557 0.88,558 1.009,559 150.101,560 -0.033,561 0.036,562 0.022,563 0.037,564 -0.094,565 0.036,566 0.134,567 -0.044,568 -0.037,569 -0.051,570 0.214,571 -0.062,572 -0.047,573 -0.152,574 -0.129,575 -0.154,576 -0.045,577 -0.152,578 -0.068,579 -0.049,580 -0.077,581 -0.052,582 -0.044,583 -0.063,584 0.015,585 -0.043,586 0.036,587 -0.035,588 0.043,589 -0.003,590 -0.076,591 0.084,592 0.039,593 0.085,594 -0.015,595 0.077,596 -0.11,597 -0.041,598 -0.118,599 -0.048,600 -0.112,601 -0.079,602 -0.006,603 0.096,604 0.097,605 0.1,606 0.008,607 0.109,608 2.615,609 3.802,610 0.621,611 30.44,612 0.992,613 1.106,614 5.033,615 25.333,616 0.689,617 3.466,618 3.714,619 3.892,620 4.078,621 4.277,622 4.205,623 4.234,624 4.344,625 4.419,626 4.466,627 7.435,628 0.65,629 384.5,630 3.466,631 4.963,632 5.765,633 6.597,634 7.418,635 8.253,636 9.081,637 9.92,638 10.751,639 11.591,651 12,656 6,658 18,668 1,670 53,671 21,672 3,673 31,675 55,676 26,677 18,678 6,679 12,680 5,681 3,682 3,685 1,691 1,693 23,694 3,696 3,698 1,699 4,701 1,707 24,708 3,709 1,710 3,717 1,718 3,731 3,739 1,741 4,746 1,748 3,752 1,756 29,759 1,760 2,762 1,773 5.7,775 1,776 1,778 1,779 14.833,780 9.617,781 6.556,782 3.036,785 4.523,786 1.625,787 0.957,788 7.293,789 11.76,790 3.784,791 4.324,792 4.834,793 5.335,794 5.853,795 5.88,796 6.148,797 6.514,798 6.88,799 7.228,800 1,801 39,802 10.666,803 4.344,804 7.747,805 20.397,806 16.074,807 2.247,808 65.167,812 270.735,813 189.653,816 78.828,819 189.653,820 349.564,822 8.825,823 7.127,824 151.62,825 68.738,826 32.171,828 270.735,830 270.735,831 189.653,832 78.828,835 270.735,836 78.828,839 15.952,840 135.796,841 37.905,843 270.735,844 78.828,845 189.653,848 270.735,849 29.208,850 160.445,852 78.828,853 270.735,854 78.828,855 189.653,857 0.562,858 0.307,859 0.161,860 0.092,861 16,862 7,863 0.145,864 8,866 1,867 4.19,868 232.943,870 18,871 136.881,874 20.474,875 10.33,876 6.391,878 78.828,879 24.045,884 6.142,886 42.683,887 539.217,888 43,890 10.802,891 6.938,893 -0.949,895 52.585,896 58.611,897 0.219,898 0.545,899 0.749,900 0.884,901 0.936,902 0.945,903 4.966,904 1.476,905 5.7,906 4.196,907 4.394,908 5.011,909 2.164,910 6.402,911 4.369,912 6.148,913 1.447,914 7.188,915 3.135,916 3.761,917 4.543,919 7.096,920 3.727,921 7.415,922 1,923 8.774,924 3.085,925 5.878,926 7.121,927 2.599,928 10.141,929 5.83,930 8.715,931 1,932 10.421,933 2.263,934 6.066,935 7.467,937 11.709,938 6.004,939 10.045,940 0.735,941 12.11,942 2.136,943 7.619,944 9.483,945 3.154,946 14.235,947 7.547,948 11.396,949 0.592,950 13.829,951 1.68,952 8.219,953 10.249,955 16.168,956 8.13,957 12.765,958 0.115,959 15.568,960 1.295,961 9.511,962 11.984,963 3.774,964 18.503,965 9.413,966 2.907,967 -0.137,968 17.324,969 0.274,970 10.328,971 12.989,973 20.592,974 10.212,975 2.843,976 9.178,977 19.093,978 -0.32,979 11.492,980 14.566,981 4.432,982 22.853,983 11.368,984 2.509,985 9.034,986 20.87,987 3.937,988 12.423,989 15.713,991 25.008,992 12.281,993 2.201,994 6.966,995 22.656,996 3.846,997 13.527,998 17.198,999 5.115,1000 27.239,1001 13.374,1002 2.127,1003 5.808,1004 24.447,1005 3.442,1006 14.517,1007 18.429,1009 29.424,1010 14.348,1011 1.773,1012 5.237,1013 26.243,1014 2.878,1015 15.593,1016 19.861,1017 5.813,1018 31.642,1019 15.412,1020 1.577,1021 4.51,1022 28.043,1023 2.812,1024 16.614,1025 21.143,1027 33.84,1028 16.417,1029 11074,1030 18187,1031 20.86,1032 36.5,1033 45.573,1034 45.712,1035 45.38,1036 44.595,1037 44.603,1038 60.804,1039 6.535,1040 117.593,1041 44.001,1042 5.114,1043 5.474,1044 5.975,1045 4.934,1046 4.907,1047 6.937,1048 2.873,1049 15.479,1050 4.86,1051 12.746,1052 1.47,1053 1.475,1054 1.464,1055 1.439,1056 1.439,1057 1.961,1058 0.211,1059 3.793,1060 1.419,1061 4.011,1062 4.034,1063 3.95,1064 3.953,1065 7.476,1066 3.949,1067 3.923,1068 3.947,1069 3.864,1070 3.866,1071 6.351,1072 3.862,1073 3.873,1074 3.902,1075 3.803,1076 3.824,1077 4.888,1078 3.815,1079 3.553,1080 3.568,1081 3.488,1082 3.407,1083 4.753,1084 3.412,1085 3.456,1086 3.503,1087 3.335,1088 3.351,1089 4.718,1090 3.346,1091 3.28,1092 3.325,1093 3.15,1094 3.092,1095 4.321,1096 3.097,1097 3.062,1098 3.142,1099 2.898,1100 2.93,1101 4.246,1102 2.91,1103 2.981,1104 3.011,1105 2.866,1106 2.833,1107 4.131,1108 2.819,1109 0.138,1110 0.112,1111 0.199,1112 0.125,1113 0.094,1114 4.284,1115 0.127,1116 3.474,1117 0.046,1118 6.173,1119 0.296,1120 3.885,1121 0.092,1122 2.907,1123 3.937,1124 1.437,1125 9.178,1126 2.86,1127 1.976,1128 1.954,1129 2.085,1130 2.052,1131 1.239,1132 2.063,1133 1.924,1134 1.902,1135 2.041,1136 2.007,1137 1.157,1138 2.019,1139 1.885,1140 1.858,1141 2.007,1142 1.959,1143 1.116,1144 1.977,1145 1.508,1146 1.475,1147 1.714,1148 1.681,1149 0.825,1150 1.675,1151 1.453,1152 1.419,1153 1.621,1154 1.608,1155 0.636,1156 1.623,1157 1.244,1158 1.195,1159 1.522,1160 1.477,1161 0.61,1162 1.489,1163 1.093,1164 1.022,1165 1.409,1166 1.296,1167 0.555,1168 1.341,1169 0.966,1170 0.91,1171 1.232,1172 1.16,1173 0.332,1174 1.167,1175 4.143,1177 5.407,1179 6.858,1181 8.395,1183 9.976,1185 2.06,1189 8.865,1190 1.222,1192 6.042,1199 34.466,1200 66.574,1201 165.399,1202 227.441,1203 268.46,1204 284.07,1205 286.825,1206 48.842,1207 7.237,1208 46.53,1209 46.53,1210 18,1211 12.158,1212 4.459,1213 3.7,1214 52.433,1215 128,1216 121,1217 0.193,1218 214.851,1219 383.27,1220 515.997,1221 15367,1223 20.476,1224 0.706,1225 0.566,1226 20.476,1227 16.416,1228 14.114,1229 0.455,1230 0.308,1231 9.482,1232 13.839,1233 9.186,1234 7.709,1235 14.114,1236 9.545,1237 12.226,1238 0.306,1239 0.17,1240 12.226,1241 6.792,1242 9.404,1243 0.196,1244 0.094,1245 9.404,1246 4.498,1247 7.455,1248 0.129,1249 0.052,1250 7.455,1251 3.022,1252 6.14,1253 0.086,1254 0.029,1255 6.14,1256 2.034,1257 0.309,1258 86.748,1259 0.219,1260 28.05,1261 0.511,1262 142,1263 393.621,1264 149.971,1265 387.555,1266 523.02,1267 362,1268 159,1269 372.121,1270 165.644,1271 383.969,1272 548.64,1273 360,1274 6.301}
{0 CHEMBL218263,1 1.253,2 13.733,3 6.352,4 40.352,5 120.398,6 7.586,7 0.697,8 4.031,9 4.122,10 3.616,11 3.689,12 5.19,13 3.653,14 4.503,15 4.624,16 3.934,17 4.056,18 5.71,19 3.996,20 4.759,21 4.93,22 3.943,23 4.182,24 5.782,25 4.085,26 4.821,27 5.034,28 3.827,29 4.133,30 5.75,31 4.009,32 4.77,33 4.993,34 3.85,35 4.087,36 5.732,37 3.979,38 4.715,39 4.906,40 3.856,41 4.076,42 5.79,43 3.981,44 4.731,45 4.938,46 3.761,47 4.043,48 5.796,49 3.93,50 4.61,51 4.831,52 3.639,53 3.918,54 5.63,55 3.8,56 0.032,57 0.571,58 9.585,59 4.884,60 9.039,61 6.01,62 0.175,63 0.934,64 16.572,65 8.003,66 36.386,67 10.027,68 0.145,69 1.245,70 23.384,71 10.744,72 32.362,73 13.731,74 0.179,75 1.356,76 26.773,77 11.788,78 34.812,79 15.49,80 0.161,81 1.295,82 25.876,83 11.284,84 30.84,85 15.003,86 0.164,87 1.201,88 23.449,89 10.366,90 35.961,91 13.303,92 0.221,93 1.229,94 24.712,95 10.611,96 49.934,97 13.613,98 0.154,99 1.101,100 22.024,101 9.576,102 33.548,103 12.642,104 8,105 44,106 0.206,107 0.478,108 0.657,109 0.833,110 0.888,111 0.897,112 3.44,113 0.896,114 -6.39,115 -6.23,116 -5.78,118 51.9,120 1,124 1,129 2,133 15,134 6,135 1,145 1,150 1,153 1,154 25,155 1,158 4,160 1,162 1,164 32,165 1,167 5,170 1,171 29,172 1,175 5,179 1,180 22,181 2,184 5,189 2,192 24,193 3,196 4,200 3,202 26,203 2,206 3,210 2,211 26,212 2,215 3,219 2,222 21,223 2,226 4,230 2,233 13,234 2,236 1508,237 20.585,238 20.585,239 20.585,240 20.585,241 20.585,242 17.53,243 17.098,244 12.539,245 20.709,246 16.358,247 16.358,248 16.358,249 16.358,250 16.358,251 11.795,252 21.257,253 6.057,254 16.559,255 4.447,256 2.785,257 1.696,258 0.622,259 0.284,260 0.231,261 4.143,266 1,267 889,268 3.391,271 366.66,275 134.079,277 2.502,278 19.747,280 0.75,281 0.83,282 0.83,283 0.5,284 0.5,285 0.83,286 1,287 0.75,288 63,289 412,290 4.448,291 3.474,292 6.235,293 3.985,294 2.989,295 4.376,296 1.437,297 9.432,298 2.978,299 4.233,300 3.136,301 6.149,302 3.846,303 2.849,304 3.857,305 1.151,306 9.1,307 2.841,308 3.91,309 3.027,310 5.409,311 3.528,312 2.549,313 3.45,314 0.68,315 7.163,316 2.499,317 3.75,318 2.82,319 5.292,320 3.344,321 2.36,322 3.211,324 6.828,325 2.319,326 3.622,327 2.544,328 5.129,329 3.196,330 2.197,331 2.879,333 6.243,334 2.17,335 3.418,336 2.292,337 4.672,338 3.026,339 2.052,340 2.734,342 5.181,343 1.981,344 3.118,345 1.654,346 4.425,347 2.618,348 1.618,349 2.427,351 4.396,352 1.618,353 2.957,354 1.618,355 4.279,356 2.508,357 1.509,358 2.113,360 4.007,361 1.505,362 2.917,363 1.612,364 3.64,365 2.483,366 1.49,367 2.087,369 3.148,370 1.477,371 2.856,372 1.472,373 3.623,374 2.413,375 1.413,376 1.997,378 3.033,379 1.412,380 2.5,381 1.067,382 3.295,383 2,384 1,385 1.5,387 2.136,388 1,389 2.316,390 1,391 3.247,392 1.763,393 0.787,394 1.12,395 1.844,396 0.764,397 2.238,398 0.88,399 3.147,400 1.619,401 0.64,402 0.957,403 1.501,404 0.617,405 1.874,406 0.745,407 2.991,408 1.539,409 0.588,410 0.757,411 1.316,412 0.558,413 1.458,414 0.471,415 2.858,416 1.12,417 0.128,418 0.164,419 0.324,420 0.126,421 14.5,422 0.483,423 0.588,424 0.02,425 43,426 1.433,427 25.5,428 0.85,429 17.5,430 0.583,431 20.442,432 0.681,433 29.9,434 0.575,435 32.113,436 1.07,437 8.927,438 0.298,439 5.743,440 0.191,441 0.046,443 0.276,447 0.762,448 0.894,449 0.775,450 0.884,451 0.739,452 0.84,453 0.706,454 1.015,455 0.93,456 1.017,457 0.437,458 1.004,459 0.877,460 1.091,461 1.076,462 1.098,463 0.727,464 1.11,465 0.819,466 1.06,467 1.043,468 1.068,469 0.614,470 1.08,471 0.734,472 0.917,473 0.843,474 0.915,475 0.512,476 0.896,477 0.962,478 1.017,479 0.996,480 1.017,481 0.944,482 1.012,483 1.077,484 0.964,485 1.064,486 0.972,487 1.362,488 1.009,489 0.813,490 0.963,491 0.949,492 0.967,493 0.782,494 0.974,495 5.5,496 0.136,497 2.444,498 0.938,499 1.52,500 0.618,501 0.506,502 0.477,503 0.205,504 0.211,505 13527,506 35894,507 2.128,508 42.3,509 2,510 19,513 1,517 1.724,518 2.045,519 3.723,520 -0.481,525 65.179,526 1.253,527 2.915,528 4.004,529 5.078,530 5.417,531 5.47,532 3.273,533 4.39,534 4.872,535 3.921,536 1705.7,537 8.476,538 24954.2,542 296.423,543 1.159,544 4.862,545 0.167,546 0.007,547 0.056,548 0.022,549 0.041,550 0.016,551 0.013,552 0.014,553 0.007,554 0.008,555 0.349,556 0.5,557 0.88,558 0.915,559 157.663,560 -0.036,561 0.053,562 0.028,563 0.054,564 -0.093,565 0.05,566 0.118,567 -0.06,568 -0.075,569 -0.07,570 0.205,571 -0.092,572 -0.073,573 -0.124,574 -0.161,575 -0.131,576 -0.063,577 -0.153,578 -0.035,579 -0.08,580 -0.073,581 -0.081,582 -0.035,583 -0.082,584 0.03,585 0.068,586 0.141,587 0.078,588 0.083,589 0.116,590 -0.049,591 -0.041,592 -0.038,593 -0.04,594 -0.026,595 -0.038,596 -0.104,597 0.018,598 -0.078,599 0.011,600 -0.149,601 -0.023,602 -0.016,603 0.021,604 0.035,605 0.024,606 0.028,607 0.034,608 2.61,609 3.846,610 0.733,611 37.902,612 0.994,613 1.1,614 5.164,615 26.671,616 0.707,617 3.526,618 3.807,619 4.025,620 4.263,621 4.533,622 4.533,623 4.673,624 4.844,625 4.984,626 5.03,627 7.99,628 0.672,629 394.49,630 3.526,631 5.043,632 5.866,633 6.718,634 7.56,635 8.416,636 9.267,637 10.127,638 10.983,639 11.845,650 2,651 15,656 5,658 23,668 1,670 52,671 25,672 4,673 33,675 55,676 27,677 22,678 7,679 15,680 3,681 4,682 5,691 1,693 25,694 2,696 2,698 1,699 2,701 1,707 22,708 3,709 1,710 3,717 0.75,718 3,731 4,735 1,739 1,741 2,746 1,748 3,756 30,759 1,760 2,762 1,773 5.8,775 1,776 1,778 1,779 14.667,780 9.2,781 6.639,782 2.994,785 4.771,786 1.606,787 0.992,788 6.145,789 12.64,790 3.861,791 4.46,792 5.032,793 5.606,794 6.215,795 6.425,796 6.85,797 7.319,798 7.776,799 8.017,800 1,801 43,802 11.04,803 4.623,804 7.728,805 21.171,806 17.225,807 2.228,808 66.833,812 247.193,813 192.265,816 78.828,819 192.265,820 326.021,823 7.127,824 161.096,825 68.738,826 34.132,828 247.193,830 247.193,831 192.265,832 78.828,835 247.193,836 78.828,839 7.127,840 166.185,841 18.952,843 247.193,844 78.828,845 192.265,848 247.193,849 31.168,850 161.096,852 78.828,853 247.193,854 78.828,855 192.265,857 0.569,858 0.313,859 0.168,860 0.099,861 20,862 8,863 0.127,864 7,865 1,866 1.091,867 4.342,868 255.129,869 0.091,870 22,871 141.207,874 19.782,875 9.319,876 5.31,877 2.279,878 78.828,879 30.522,884 5.185,886 42.683,887 518.286,888 46.5,890 10.846,891 2.825,893 -0.944,895 51.702,896 57.195,897 0.22,898 0.511,899 0.702,900 0.891,901 0.95,902 0.96,903 5.055,904 1.509,905 5.814,906 4.396,907 4.489,908 5.147,909 2.164,910 6.547,911 4.466,912 6.253,913 1.49,914 7.317,915 4.007,916 3.892,917 4.796,919 7.261,920 3.862,921 7.538,922 1.413,923 8.914,924 3.148,925 6.004,926 7.346,927 2.599,928 10.325,929 5.964,930 8.857,931 1,932 10.57,933 3.033,934 6.217,935 7.825,937 11.878,938 6.172,939 10.205,940 0.787,941 12.264,942 2.136,943 7.77,944 9.815,945 3.154,946 14.428,947 7.719,948 11.575,949 0.64,950 13.985,951 1.844,952 8.389,953 10.732,955 16.347,956 8.335,957 12.962,958 0.588,959 15.725,960 1.501,961 9.685,962 12.453,963 3.774,964 18.703,965 9.626,966 2.989,967 0.128,968 17.48,969 1.316,970 10.52,971 13.617,973 20.79,974 10.461,975 2.849,976 9.432,977 19.247,978 0.324,979 11.692,980 15.202,981 4.432,982 23.069,983 11.63,984 2.549,985 9.1,986 21.023,987 4.376,988 12.642,989 16.504,991 25.233,992 12.579,993 2.36,994 7.163,995 22.806,996 3.857,997 13.757,998 18.021,999 5.115,1000 27.482,1001 13.691,1002 2.197,1003 6.828,1004 24.596,1005 3.45,1006 14.767,1007 19.399,1009 29.681,1010 14.701,1011 2.052,1012 6.243,1013 26.391,1014 3.211,1015 15.857,1016 20.886,1017 5.813,1018 31.918,1019 15.789,1020 1.618,1021 5.181,1022 28.19,1023 2.879,1024 16.899,1025 22.305,1027 34.134,1028 16.829,1029 12812,1030 20986,1031 22.652,1032 36.739,1033 48.958,1034 49.465,1035 48.78,1036 48.338,1037 48.338,1038 67.258,1039 6.535,1040 131.303,1041 47.731,1042 5.268,1043 5.474,1044 6.036,1045 5.032,1046 4.989,1047 7.376,1048 2.873,1049 15.885,1050 4.978,1051 10.845,1052 1.484,1053 1.499,1054 1.478,1055 1.465,1056 1.465,1057 2.038,1058 0.198,1059 3.979,1060 1.446,1061 4.108,1062 4.127,1063 4.062,1064 4.067,1065 7.476,1066 4.063,1067 3.929,1068 3.952,1069 3.872,1070 3.882,1071 6.351,1072 3.876,1073 3.899,1074 3.929,1075 3.826,1076 3.841,1077 4.952,1078 3.834,1079 3.56,1080 3.576,1081 3.496,1082 3.446,1083 4.763,1084 3.446,1085 3.509,1086 3.53,1087 3.434,1088 3.371,1089 4.741,1090 3.382,1091 3.202,1092 3.25,1093 3.071,1094 3.039,1095 4.498,1096 3.038,1097 3.108,1098 3.163,1099 2.98,1100 3.013,1101 4.131,1102 2.999,1103 2.979,1104 3.004,1105 2.882,1106 2.848,1107 4.079,1108 2.836,1109 0.135,1110 0.105,1111 0.189,1112 0.121,1113 0.091,1114 4.448,1115 0.133,1116 3.474,1117 0.044,1118 6.235,1119 0.286,1120 3.985,1121 0.09,1122 2.989,1123 4.376,1124 1.437,1125 9.432,1126 2.978,1127 2.085,1128 2.068,1129 2.167,1130 2.141,1131 1.337,1132 2.15,1133 1.933,1134 1.911,1135 2.041,1136 2.006,1137 1.171,1138 2.019,1139 1.9,1140 1.872,1141 2.024,1142 1.978,1143 1.129,1144 1.995,1145 1.526,1146 1.499,1147 1.68,1148 1.68,1149 0.816,1150 1.668,1151 1.463,1152 1.44,1153 1.62,1154 1.629,1155 0.616,1156 1.627,1157 1.18,1158 1.132,1159 1.443,1160 1.39,1161 0.605,1162 1.409,1163 1.131,1164 1.081,1165 1.374,1166 1.275,1167 0.486,1168 1.312,1169 0.962,1170 0.914,1171 1.198,1172 1.156,1173 0.308,1174 1.141,1175 4.205,1177 5.493,1179 6.974,1181 8.545,1183 10.161,1189 8.902,1190 1.285,1192 5.932,1199 34.939,1200 65.179,1201 151.578,1202 208.21,1203 264.058,1204 281.668,1205 284.423,1206 44.078,1207 7.869,1208 46.53,1209 46.53,1210 24,1211 12.395,1212 4.7,1213 3.858,1214 47.315,1215 146,1216 140,1217 0.159,1218 214.123,1219 374.67,1220 514.219,1221 32237,1223 20.761,1224 0.692,1225 0.55,1226 20.761,1227 16.493,1228 14.67,1229 0.445,1230 0.299,1231 9.793,1232 14.391,1233 9.547,1234 7.946,1235 14.67,1236 9.856,1237 12.971,1238 0.295,1239 0.163,1240 12.971,1241 7.165,1242 10.356,1243 0.188,1244 0.091,1245 10.356,1246 4.98,1247 8.457,1248 0.121,1249 0.049,1250 8.457,1251 3.453,1252 7.341,1253 0.08,1254 0.027,1255 7.341,1256 2.479,1257 0.258,1258 90.082,1259 0.21,1260 29.036,1261 0.416,1262 154,1263 417.621,1264 161.971,1265 412.337,1266 562.39,1267 386,1268 176,1269 406.121,1270 182.312,1271 418.798,1272 602.76,1273 394,1274 6.301}
{0 CHEMBL220802,1 1.584,2 12.433,3 5.327,4 28.375,5 122.671,6 8.849,7 0.667,8 3.987,9 4.06,10 3.878,11 3.729,12 5.106,13 3.653,14 4.477,15 4.575,16 4.206,17 4.112,18 5.833,19 4.01,20 4.718,21 4.869,22 4.206,23 4.179,24 5.87,25 4.066,26 4.755,27 4.931,28 4.019,29 4.1,30 6.113,31 3.996,32 4.695,33 4.899,34 3.907,35 4.028,36 5.815,37 3.911,38 4.613,39 4.803,40 3.895,41 3.982,42 5.766,43 3.873,44 4.592,45 4.78,46 3.885,47 3.964,48 5.743,49 3.842,50 4.536,51 4.716,52 3.908,53 3.939,54 5.721,55 3.82,56 0.075,57 0.599,58 10.035,59 4.766,60 15.348,61 5.144,62 0.289,63 0.98,64 18.945,65 8.418,66 47.389,67 9.095,68 0.244,69 1.283,70 27.027,71 11.205,72 43.822,73 12.137,74 0.393,75 1.316,76 26.959,77 11.306,78 96.178,79 12.984,80 0.267,81 1.246,82 25.468,83 10.678,84 54.761,85 12.638,86 0.181,87 1.138,88 21.94,89 9.656,90 44.288,91 11.471,92 0.245,93 1.148,94 23.279,95 9.659,96 51.621,97 10.772,98 0.174,99 1.078,100 24.205,101 9.845,102 42.8,103 10.876,104 10,105 46,106 0.261,107 0.515,108 0.687,109 0.849,110 0.892,111 0.905,112 3.44,113 1.065,114 -4.92,115 -4.82,116 -4.53,118 49,120 1,129 2,133 13,134 5,141 1,143 1,145 1,154 22,157 1,158 1,160 3,162 1,164 30,167 5,170 3,171 28,174 2,175 5,179 2,180 22,184 6,189 2,192 21,196 6,200 3,202 20,206 6,210 2,211 18,215 8,219 2,222 17,226 6,230 2,233 15,236 1594,237 20.247,238 20.247,239 20.247,240 20.247,241 20.247,242 17.085,243 12.976,244 12.076,245 20.598,246 16.331,247 16.331,248 16.331,249 16.331,250 16.331,251 11.544,252 14.312,253 5.755,254 16.909,255 4.031,256 2.492,257 1.446,258 0.464,259 0.204,260 0.122,261 4.135,265 1,266 1,267 812,268 4,270 92.285,271 268.041,275 136.217,277 2.033,278 32.207,280 1,281 1,282 1,283 0.6,285 1,286 1,287 0.8,288 63.5,289 373,290 4.855,291 4.689,292 7.307,293 4.29,294 3.39,295 4.705,296 0.98,297 12.497,298 3.042,299 4.415,300 3.424,301 6.211,302 3.959,303 2.96,304 4.338,305 0.68,306 9.337,307 2.959,308 4.228,309 3.116,310 6.136,311 3.826,312 2.826,313 3.855,315 9.043,316 2.825,317 3.709,318 2.867,319 5.255,320 3.302,321 2.306,322 3.107,324 6.643,325 2.287,326 3.601,327 2.385,328 5.185,329 3.196,330 2.202,331 3.032,333 6.208,334 2.186,335 3.502,336 2.022,337 4.693,338 2.892,339 1.953,340 2.841,342 5.063,343 1.804,344 3.118,345 1.653,346 4.426,347 2.618,348 1.618,349 2.427,351 4.389,352 1.618,353 2.966,354 1.618,355 4.307,356 2.526,357 1.524,358 2.121,360 4.063,361 1.525,362 2.925,363 1.487,364 3.638,365 2.452,366 1.452,367 2.118,369 3.066,370 1.452,371 2.828,372 1.389,373 3.608,374 2.359,375 1.359,376 1.969,378 2.968,379 1.359,380 2.382,381 1.174,382 3.506,383 1.81,384 0.885,385 1.293,387 2.091,388 0.801,389 2.319,390 0.865,391 3.184,392 1.707,393 0.708,394 1.046,395 1.633,396 0.707,397 2.187,398 0.732,399 3.117,400 1.617,401 0.618,402 0.965,403 1.413,404 0.613,405 2.118,406 0.618,407 3,408 1.461,409 0.614,410 0.927,411 1.372,412 0.506,413 1.44,414 0.413,415 2.92,416 1.104,417 0.105,418 0.134,419 0.27,420 0.104,421 15.067,422 0.502,423 0.748,424 0.025,425 43.5,426 1.45,427 26,428 0.867,429 17.5,430 0.583,431 21.475,432 0.716,433 29.933,434 0.611,435 33.162,436 1.105,437 8.519,438 0.284,439 5.991,440 0.2,441 0.066,442 0.055,443 0.232,447 0.428,448 0.956,449 0.765,450 0.969,451 0.612,452 0.803,453 0.427,454 0.977,455 0.843,456 0.942,457 0.523,458 0.981,459 0.857,460 1.142,461 0.996,462 1.155,463 0.941,464 1.085,465 0.858,466 1.07,467 0.918,468 1.007,469 0.801,470 1.058,471 0.945,472 0.899,473 0.744,474 0.82,475 0.952,476 0.94,477 0.934,478 0.981,479 0.749,480 0.85,481 0.932,482 0.959,483 1.147,484 0.914,485 0.93,486 0.87,487 1.093,488 0.956,489 0.992,490 0.99,491 1.01,492 1.008,493 0.955,494 0.939,495 6.5,496 0.171,497 3.556,498 1.715,499 1.673,500 0.608,501 0.516,502 0.511,503 0.273,504 0.219,505 13072,506 38557,507 2.099,508 38.8,509 2,510 15,511 1,513 1,517 1.726,518 1.989,519 3.6,520 -0.382,525 77.616,526 1.584,527 3.123,528 4.169,529 5.15,530 5.411,531 5.492,532 3.086,533 4.548,534 4.881,535 3.794,536 1650.31,537 8.502,538 23737.5,542 275.121,543 1.403,544 4.843,545 0.197,546 0.007,547 0.077,548 0.039,549 0.041,550 0.017,551 0.014,552 0.015,553 0.008,554 0.007,555 0.422,556 0.17,557 1,558 0.496,559 156.262,560 0.113,561 0.01,562 0.168,563 -0.008,564 -0.128,565 0.057,566 0.354,567 -0.01,568 0.048,569 -0.015,570 0.222,571 -0.11,572 0.022,573 -0.176,574 -0.017,575 -0.174,576 -0.066,577 -0.13,578 0.176,579 -0.113,580 -0.072,581 -0.116,582 0.245,583 -0.099,584 -0.04,585 0.047,586 0.058,587 0.049,588 -0.045,589 0.055,590 -0.035,591 -0.037,592 0.044,593 0.013,594 -0.035,595 0.015,596 -0.133,597 0.078,598 -0.029,599 0.055,600 -0.1,601 0.016,602 -0.034,603 -0.012,604 0.006,605 -0.003,606 0.015,607 0.059,608 4.749,609 5.175,610 0.7,611 29.551,612 1.004,613 1.096,614 3.688,615 13.604,616 0.745,617 3.526,618 3.85,619 4.078,620 4.304,621 4.443,622 4.431,623 4.5,624 4.654,625 4.727,626 4.718,627 7.454,628 0.7,629 433.58,630 3.526,631 5.069,632 5.905,633 6.779,634 7.629,635 8.503,636 9.358,637 10.232,638 11.089,639 11.963,640 2,644 1,650 2,651 14,655 1,656 4,658 22,670 49,671 26,672 3,673 33,675 52,676 24,677 20,678 5,679 11,680 3,681 4,682 5,691 1,693 23,694 1,696 4,697 1,698 3,699 2,701 1,707 19,708 4,709 1,710 6,711 2,714 1,717 0.75,718 3,730 1,731 3,735 1,741 2,748 3,750 2,756 30,758 1,760 1,761 1,769 1,773 6.1,776 3,779 15.083,780 8.667,781 6.514,782 2.743,785 4.826,786 1.633,787 1.031,788 6.006,789 12.444,790 3.892,791 4.535,792 5.084,793 5.651,794 6.118,795 6.345,796 6.679,797 7.134,798 7.528,799 7.673,800 1,801 44,802 11.363,803 5.149,804 7.881,805 21.102,806 17.626,807 2.381,808 71.417,812 211.88,813 208.82,814 16.405,816 69.458,818 37.085,819 171.735,820 281.338,821 16.405,823 18.94,824 155.6,825 74.163,826 14.703,827 11.771,828 231.386,830 211.88,831 188.14,832 69.458,833 37.085,835 211.88,836 69.458,839 18.94,840 150.248,841 24.76,842 31.278,843 211.88,844 85.863,845 208.82,847 5.807,848 211.88,849 53.22,850 149.793,851 16.405,852 69.458,853 211.88,854 85.863,855 208.82,857 0.582,858 0.333,859 0.179,860 0.089,861 22,862 9,863 0.115,864 6,865 1,866 1.095,867 4.239,868 259.972,869 0.095,870 21,871 145.207,872 1,873 1,874 20.367,875 8.846,876 4.997,877 2.374,878 85.863,879 27.079,883 1.064,884 3.201,886 16.405,887 506.562,888 48,889 -3.832,890 36.52,891 2.903,893 -0.677,895 49.189,896 53.703,897 0.282,898 0.556,899 0.742,900 0.917,901 0.964,902 0.978,903 5.109,904 1.524,905 5.905,906 4.389,907 4.533,908 5.223,909 1.347,910 6.725,911 4.472,912 6.351,913 1.452,914 7.474,915 4.063,916 4.205,917 5.19,919 7.867,920 4.078,921 7.69,922 1.359,923 9.159,924 3.066,925 6.176,926 7.547,927 1.185,928 10.894,929 6.034,930 9.074,931 0.885,932 10.92,933 2.968,934 6.698,935 8.373,937 12.908,938 6.449,939 10.495,940 0.708,941 12.733,942 2.091,943 8.156,944 10.204,945 1.088,946 15.534,947 7.892,948 11.943,949 0.618,950 14.583,951 1.633,952 9.054,953 11.412,955 17.865,956 8.671,957 13.414,958 0.614,959 16.46,960 1.413,961 10.328,962 13.049,963 1.026,964 20.395,965 9.907,966 3.39,967 0.105,968 18.357,969 1.372,970 11.393,971 14.431,973 22.841,974 10.854,975 2.96,976 12.497,977 20.272,978 0.27,979 12.605,980 15.993,981 0.983,982 25.354,983 12.005,984 2.826,985 9.337,986 22.199,987 4.705,988 13.743,989 17.453,991 27.844,992 13.029,993 2.306,994 9.043,995 24.136,996 4.338,997 14.938,998 18.99,999 0.95,1000 30.358,1001 14.144,1002 2.202,1003 6.643,1004 26.082,1005 3.855,1006 16.11,1007 20.485,1009 32.867,1010 15.203,1011 1.953,1012 6.208,1013 28.035,1014 3.107,1015 17.305,1016 22.014,1017 0.921,1018 35.385,1019 16.304,1020 1.618,1021 5.063,1022 29.993,1023 3.032,1024 18.493,1025 23.528,1027 37.902,1028 17.381,1029 12275,1030 21367,1031 22.246,1032 36.517,1033 49.577,1034 50.561,1035 49.348,1036 48.97,1037 49.038,1038 69.759,1039 3.32,1040 140.11,1041 47.574,1042 5.706,1043 6.689,1044 6.994,1045 5.435,1046 5.39,1047 7.705,1048 1.96,1049 19.824,1050 5.042,1051 12.281,1052 1.502,1053 1.532,1054 1.495,1055 1.484,1056 1.486,1057 2.114,1058 0.101,1059 4.246,1060 1.442,1061 4.109,1062 4.125,1063 4.784,1064 4.109,1065 7.718,1066 4.061,1067 4.048,1068 4.014,1069 4.048,1070 4.055,1071 7.428,1072 3.961,1073 3.92,1074 3.938,1075 4.01,1076 3.88,1077 6.999,1078 3.87,1079 3.619,1080 3.634,1081 3.866,1082 3.547,1083 4.908,1084 3.489,1085 3.501,1086 3.54,1087 3.449,1088 3.434,1089 4.743,1090 3.417,1091 3.403,1092 3.395,1093 3.389,1094 3.316,1095 4.622,1096 3.271,1097 3.11,1098 3.167,1099 2.982,1100 3.018,1101 4.316,1102 3.002,1103 2.978,1104 3.034,1105 2.864,1106 2.882,1107 4.177,1108 2.867,1109 0.147,1110 0.142,1111 0.221,1112 0.13,1113 0.103,1114 4.855,1115 0.143,1116 4.689,1117 0.03,1118 7.307,1119 0.379,1120 4.29,1121 0.092,1122 3.39,1123 4.705,1124 0.98,1125 12.497,1126 3.042,1127 2.087,1128 2.068,1129 2.174,1130 2.139,1131 1.336,1132 2.152,1133 1.934,1134 1.913,1135 2.038,1136 2.003,1137 1.169,1138 2.018,1139 1.75,1140 1.803,1141 1.702,1142 1.856,1143 0.951,1144 1.905,1145 1.525,1146 1.489,1147 1.663,1148 1.629,1149 0.817,1150 1.655,1151 1.459,1152 1.426,1153 1.625,1154 1.588,1155 0.654,1156 1.605,1157 1.401,1158 1.389,1159 1.381,1160 1.479,1161 0.611,1162 1.534,1163 1.135,1164 1.084,1165 1.252,1166 1.28,1167 0.503,1168 1.317,1169 1.004,1170 0.97,1171 1.244,1172 1.149,1173 0.334,1174 1.185,1175 4.205,1177 5.525,1178 2.398,1179 7.034,1180 4.443,1181 8.63,1182 6.326,1183 10.268,1190 0.709,1191 2.075,1199 34.281,1200 77.616,1201 153.015,1202 204.26,1203 252.366,1204 265.121,1205 269.121,1206 59.133,1207 7.619,1208 63.24,1209 99.86,1210 23,1211 12.507,1212 4.755,1213 4,1214 47.161,1215 133,1216 120,1217 0.166,1218 217.329,1219 373.43,1220 522.043,1221 24551,1223 20.976,1224 0.699,1225 0.587,1226 21.58,1227 17.619,1228 14.51,1229 0.44,1230 0.355,1231 9.502,1232 13.124,1233 9.063,1234 7.534,1235 15.785,1236 11.714,1237 13.381,1238 0.291,1239 0.21,1240 15.3,1241 9.649,1242 10.716,1243 0.185,1244 0.128,1245 12.804,1246 7.417,1247 8.96,1248 0.123,1249 0.071,1250 10.829,1251 5.163,1252 6.643,1253 0.079,1254 0.039,1255 7.82,1256 3.252,1257 0.266,1258 101.77,1259 0.212,1260 28.736,1261 0.441,1262 158,1263 459.26,1264 230.985,1265 494.982,1266 667.86,1267 456,1268 183,1269 441.14,1270 257.543,1271 503.979,1272 729.19,1273 472,1274 6.301}
{0 CHEMBL2311147,1 1.564,2 15.364,3 3.543,4 12.551,5 118.69,6 7.384,7 0.176,8 4.236,9 4.337,10 3.74,11 3.683,12 5.386,13 3.679,14 4.82,15 4.973,16 4.145,17 4.066,18 6.313,19 4.037,20 5.107,21 5.315,22 4.131,23 4.204,24 6.266,25 4.136,26 5.173,27 5.405,28 4.053,29 4.173,30 6.364,31 4.091,32 5.11,33 5.352,34 4.025,35 4.116,36 6.302,37 4.027,38 5.057,39 5.293,40 3.952,41 4.096,42 6.156,43 4.002,44 5.117,45 5.359,46 3.914,47 4.065,48 6.252,49 3.971,50 5.052,51 5.298,52 3.914,53 3.992,54 6.359,55 3.906,56 0.231,57 1.003,58 13.608,59 6.865,60 48.725,61 7.991,62 1.138,63 1.904,64 28.049,65 11.036,66 189.41,67 13.528,68 1.006,69 1.796,70 38.853,71 13.653,72 133.839,73 17.988,74 1.303,75 1.892,76 43.745,77 13.944,78 193.498,79 18.359,80 1.394,81 1.658,82 41.39,83 13.057,84 169.41,85 17.84,86 1,87 1.563,88 38.065,89 12.68,90 164.112,91 17.352,92 1.371,93 1.592,94 42.166,95 12.665,96 214.039,97 17.207,98 1.582,99 1.498,100 40.334,101 11.685,102 228.897,103 15.966,104 76,105 46,106 0.254,107 0.591,108 0.819,109 0.911,110 0.921,111 0.921,112 3.531,113 0.958,114 -4.12,115 -4.07,116 -3.85,118 37.5,120 5,121 2,123 1,124 1,125 3,127 1,129 4,133 4,134 1,135 1,145 1,154 13,157 1,158 4,162 5,164 14,167 5,168 1,170 5,171 11,175 4,178 1,179 5,180 8,184 3,189 6,192 8,196 3,199 1,200 6,202 9,206 4,208 1,209 1,210 4,211 9,215 3,217 1,219 3,222 8,226 3,230 4,233 8,236 2337,237 21.377,238 21.377,239 21.377,240 21.377,241 21.377,242 20.123,243 25.253,244 12.762,245 22.013,246 16.69,247 16.69,248 16.69,249 16.69,250 16.69,251 14.676,252 26.594,253 6.004,254 17.707,255 4.436,256 2.367,257 0.965,258 0.399,259 0.336,260 0.336,261 4.194,265 1,266 1,267 1023,268 5.099,270 115.609,271 131.78,277 2.86,278 67.955,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 76.5,289 507,290 4.452,291 4.461,292 7.116,293 4.179,294 3.319,295 3.864,296 3.825,297 11.689,298 3.088,299 4.172,300 3.672,301 6.682,302 4.13,303 3.148,304 3.211,305 2.443,306 10.723,307 2.886,308 3.796,309 3.337,310 5.404,311 3.445,312 2.528,313 3.088,314 0.86,315 7.154,316 2.293,317 3.64,318 2.987,319 5.351,320 3.331,321 2.347,322 2.812,323 0.765,324 6.289,325 2.286,326 3.479,327 2.701,328 5,329 3.239,330 2.29,331 2.56,332 0.286,333 5.909,334 2.15,335 3.21,336 2.38,337 4.988,338 2.995,339 2.037,340 2.271,342 5.892,343 1.944,344 2.994,345 2.149,346 4.661,347 2.761,348 1.784,349 2.078,351 4.756,352 1.735,353 2.916,354 1.988,355 4.499,356 2.582,357 1.614,358 1.962,360 4.439,361 1.557,362 2.687,363 1.902,364 3.815,365 2.497,366 1.567,367 1.672,369 3.488,370 1.425,371 2.571,372 1.537,373 3.526,374 2.133,375 1.159,376 1.601,378 2.582,379 1.121,380 2.346,381 1.461,382 3.483,383 2.094,384 1.117,385 1.276,387 2.501,388 1.079,389 2.182,390 1.281,391 3.255,392 1.8,393 0.839,394 1.022,395 1.903,396 0.799,397 1.634,398 1.116,399 2.995,400 1.463,401 0.548,402 0.576,403 1.204,404 0.494,405 1.507,406 1.03,407 2.759,408 1.265,409 0.362,410 0.398,411 0.663,412 0.323,413 1.383,414 0.712,415 2.699,416 1.072,417 0.112,418 0.13,419 0.189,420 0.106,421 14.857,422 0.45,423 0.974,424 0.03,425 29.75,426 0.902,427 10,428 0.303,429 19.75,430 0.598,431 36.315,432 1.1,433 40.343,434 0.63,435 27.484,436 0.833,437 6.054,438 0.183,439 9.559,440 0.29,441 0.181,442 0.034,443 0.269,444 3,447 0.734,448 1.047,449 0.801,450 1.24,451 0.735,452 1.096,453 0.646,454 0.876,455 0.883,456 1.198,457 0.528,458 1.156,459 0.774,460 0.91,461 0.916,462 1.125,463 0.706,464 1.096,465 0.96,466 0.948,467 1.02,468 1.028,469 0.944,470 1.046,471 0.722,472 0.794,473 0.865,474 0.946,475 0.728,476 0.962,477 0.714,478 0.815,479 0.89,480 1.063,481 0.707,482 1.053,483 0.919,484 0.802,485 1.012,486 0.958,487 0.912,488 1.009,489 0.842,490 0.724,491 0.916,492 0.802,493 0.749,494 0.875,495 8,496 0.283,497 4,498 2.514,499 1.45,500 1.08,501 0.616,502 0.465,503 0.311,504 0.294,505 16233,506 58791,507 1.905,508 48.4,509 6,510 16,513 3,514 2,515 2,516 2,517 1.749,518 1.744,519 3.837,520 0.862,522 1,525 100.116,526 1.564,527 3.633,528 5.035,529 5.601,530 5.664,531 5.664,532 3.366,533 4.9,534 5.011,535 4.106,536 2167.99,537 8.76,538 35818.6,542 384,543 1.65,544 4.94,545 0.235,546 0.008,547 0.087,548 0.056,549 0.036,550 0.028,551 0.017,552 0.014,553 0.009,554 0.009,555 0.498,556 0.33,557 0.75,558 1.964,559 181.166,560 -0.071,561 -0.001,562 -0.007,563 0.02,564 -0.107,565 0.029,566 0.215,567 0.191,568 0.009,569 -0.059,570 0.27,571 -0.101,572 -0.03,573 -0.125,574 -0.016,575 -0.103,576 -0.009,577 -0.069,578 -0.084,579 -0.068,580 -0.064,581 -0.049,582 -0.064,583 -0.05,584 0.079,585 0.014,586 0.077,587 0.023,588 0.037,589 0.042,590 -0.003,591 -0.06,592 0.019,593 -0.075,594 -0.002,595 -0.031,596 -0.051,597 -0.015,598 -0.049,599 -0.017,600 -0.071,601 -0.028,602 0.068,603 0.064,604 0.066,605 0.122,606 0.099,607 0.096,608 5.734,609 4.778,610 0.333,611 45.355,612 1.024,613 1.146,614 2.89,615 8.355,616 0.617,617 3.555,618 3.85,619 3.989,620 4.127,621 4.234,622 4.174,623 4.205,624 4.159,625 4.174,626 4.248,627 9.098,628 0.6,629 472.55,630 3.555,631 5.081,632 5.883,633 6.737,634 7.564,635 8.421,636 9.261,637 10.121,638 10.969,639 11.832,651 4,656 2,658 6,668 1,670 64,671 9,672 1,673 34,675 65,676 24,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,690 1,691 8,693 11,694 13,695 2,696 3,698 1,699 4,701 1,705 3,707 31,708 9,709 3,710 9,717 1,718 6,719 3,730 1,731 1,740 1,741 4,746 3,748 2,752 1,754 3,756 33,759 3,760 6,762 2,764 5,766 1,772 3,773 9.4,774 3,776 1,778 2,779 18.917,780 10.862,781 7.417,782 3.703,785 1.968,786 1.275,787 0.839,788 10.747,789 9.125,790 3.714,791 4.135,792 4.469,793 4.813,794 5.178,795 5.208,796 5.365,797 5.274,798 5.466,799 5.675,800 1,801 45,802 12.826,803 5.929,804 8.407,805 22.544,806 18.252,807 2.907,808 95.917,812 329.591,813 127.338,816 175.195,817 44.88,819 127.338,820 504.786,821 44.88,822 10.883,823 17.265,824 203.86,825 32.336,826 75.309,828 329.591,829 7.76,830 329.591,831 127.338,832 220.075,835 282.506,836 139.109,837 128.05,839 25.025,840 64.408,841 37.905,843 374.471,844 175.195,845 127.338,848 337.35,849 32.885,850 86.693,852 220.075,853 329.591,854 220.075,855 127.338,857 0.578,858 0.316,859 0.149,860 0.079,861 17,862 10,863 0.185,864 12,866 1,867 4.424,868 265.505,870 11,871 161.71,874 27.233,875 13.022,876 9.035,878 220.075,879 4.394,884 -0.849,886 128.05,887 677.004,888 40,890 11.095,891 6.861,893 -0.265,895 65.523,896 73.334,897 0.261,898 0.606,899 0.839,900 0.934,901 0.944,902 0.944,903 4.966,904 1.614,905 5.894,906 4.756,907 4.533,908 4.82,909 3.512,910 6.688,911 4.419,912 6.132,913 1.567,914 7.46,915 4.439,916 4.29,917 4.543,918 4.06,919 7.818,920 4.004,921 7.411,922 1.159,923 9.142,924 3.488,925 6.159,926 6.737,927 5.611,928 10.799,929 5.917,930 8.723,931 1.117,932 10.895,933 2.582,934 6.723,935 7.215,936 6.774,937 12.772,938 6.297,939 10.067,940 0.839,941 12.698,942 2.501,943 8.128,944 8.962,945 8.131,946 15.367,947 7.72,948 11.436,949 0.548,950 14.535,951 1.903,952 9.044,953 9.807,954 9.427,955 17.642,956 8.482,957 12.823,958 0.362,959 16.398,960 1.204,961 10.292,962 11.365,963 10.763,964 20.126,965 9.709,966 3.319,967 0.112,968 18.281,969 0.663,970 11.361,971 12.412,972 12.091,973 22.505,974 10.655,975 3.148,976 11.689,977 20.178,978 0.189,979 12.557,980 13.876,981 13.428,982 24.956,983 11.804,984 2.528,985 10.723,986 22.087,987 3.864,988 13.69,989 15.04,990 14.765,991 27.372,992 12.838,993 2.347,994 7.154,995 24.005,996 3.211,997 14.872,998 16.455,999 16.104,1000 29.814,1001 13.958,1002 2.29,1003 6.289,1004 25.93,1005 3.088,1006 16.033,1007 17.691,1008 17.444,1009 32.245,1010 15.032,1011 2.037,1012 5.909,1013 27.86,1014 2.812,1015 17.213,1016 19.078,1017 18.785,1018 34.685,1019 16.144,1020 1.784,1021 5.892,1022 29.794,1023 2.56,1024 18.386,1025 20.357,1026 20.126,1027 37.122,1028 17.238,1029 16496,1030 31685,1031 21.266,1032 39.483,1033 50.643,1034 50.436,1035 51.302,1036 49.823,1037 49.546,1038 57.041,1039 16.358,1040 138.76,1041 46.573,1042 5.367,1043 6.461,1044 6.941,1045 5.232,1046 5.319,1047 6.864,1048 5.556,1049 18.66,1050 5.088,1051 22.638,1052 1.49,1053 1.483,1054 1.509,1055 1.465,1056 1.457,1057 1.678,1058 0.481,1059 4.081,1060 1.37,1061 3.986,1062 4.018,1063 3.914,1064 3.885,1065 8.513,1066 3.884,1067 3.92,1068 3.944,1069 3.852,1070 3.832,1071 7.999,1072 3.832,1073 3.748,1074 3.792,1075 3.631,1076 3.62,1077 7.999,1078 3.611,1079 3.62,1080 3.655,1081 3.517,1082 3.461,1083 7.432,1084 3.464,1085 3.512,1086 3.544,1087 3.406,1088 3.324,1089 6.465,1090 3.334,1091 3.327,1092 3.366,1093 3.329,1094 3.035,1095 6.449,1096 3.085,1097 3.249,1098 3.319,1099 3.054,1100 3.001,1101 6.434,1102 3.007,1103 3.147,1104 3.199,1105 3.005,1106 2.934,1107 4.82,1108 2.943,1109 0.131,1110 0.131,1111 0.209,1112 0.123,1113 0.098,1114 4.452,1115 0.114,1116 4.461,1117 0.113,1118 7.116,1119 0.344,1120 4.179,1121 0.091,1122 3.319,1123 3.864,1124 3.825,1125 11.689,1126 3.088,1127 1.894,1128 1.874,1129 2.018,1130 2.007,1131 1.352,1132 2.001,1133 1.828,1134 1.789,1135 1.991,1136 1.954,1137 1.235,1138 1.974,1139 1.721,1140 1.679,1141 1.916,1142 1.878,1143 1.155,1144 1.889,1145 1.602,1146 1.559,1147 1.824,1148 1.8,1149 1.089,1150 1.805,1151 1.484,1152 1.442,1153 1.715,1154 1.708,1155 0.975,1156 1.707,1157 1.367,1158 1.33,1159 1.619,1160 1.62,1161 0.78,1162 1.616,1163 1.179,1164 1.108,1165 1.531,1166 1.456,1167 0.589,1168 1.478,1169 1.098,1170 1.061,1171 1.332,1172 1.424,1173 0.524,1174 1.343,1175 4.234,1177 5.533,1178 2.398,1179 6.999,1180 4.844,1181 8.542,1182 6.986,1183 10.133,1185 1.34,1187 38.334,1189 30.705,1190 2.146,1192 9.843,1194 -3.204,1196 -4.484,1199 38.394,1200 100.116,1201 232.542,1202 322.226,1203 358.49,1204 362.49,1205 362.49,1206 155.728,1207 7.157,1208 96.22,1209 96.22,1210 11,1211 12.384,1212 3.322,1213 2.807,1214 81.265,1215 177,1216 199,1217 0.215,1218 236.208,1219 443.25,1220 568.106,1221 13778,1222 4.7,1223 24.433,1224 0.74,1225 0.559,1226 21.933,1227 18.448,1228 15.612,1229 0.459,1230 0.319,1231 10.641,1232 14.754,1233 10.486,1234 8.611,1235 14.401,1236 10.859,1237 14.378,1238 0.313,1239 0.176,1240 12.421,1241 8.076,1242 10.505,1243 0.198,1244 0.106,1245 9.542,1246 5.608,1247 7.689,1248 0.126,1249 0.062,1250 7.171,1251 3.8,1252 5.799,1253 0.085,1254 0.035,1255 5.17,1256 2.389,1257 0.352,1258 100.257,1259 0.217,1260 31.731,1261 0.548,1262 160,1263 709.989,1264 192.074,1265 580.8,1266 724.88,1267 536,1268 179,1269 464.455,1270 202.876,1271 445.302,1272 662.74,1273 416,1274 7.469}
{0 CHEMBL264554,1 1.302,2 12.708,3 3.086,4 9.522,5 95.702,6 6.081,8 4.061,9 4.184,10 3.393,11 3.505,12 5.066,13 3.45,14 4.647,15 4.836,16 3.669,17 3.884,18 5.662,19 3.778,20 4.979,21 5.239,22 3.649,23 4.005,24 5.884,25 3.85,26 4.965,27 5.239,28 3.566,29 3.968,30 5.825,31 3.801,32 4.89,33 5.16,34 3.566,35 3.896,36 5.823,37 3.742,38 4.833,39 5.093,40 3.557,41 3.856,42 5.724,43 3.718,44 4.861,45 5.114,46 3.488,47 3.844,48 5.842,49 3.693,50 4.838,51 5.117,52 3.377,53 3.789,54 5.679,55 3.62,56 0.068,57 0.694,58 13.925,59 5.886,60 16.723,61 7.915,62 0.26,63 1.087,64 24.747,65 9.309,66 52.836,67 13.088,68 0.514,69 1.301,70 33.771,71 11.22,72 76.851,73 16.452,74 0.418,75 1.263,76 32.903,77 10.923,78 69.533,79 16.129,80 0.464,81 1.171,82 30.718,83 10.112,84 73.518,85 14.915,86 0.339,87 1.118,88 29.121,89 9.588,90 58.917,91 14.069,92 0.542,93 1.114,94 30.341,95 9.533,96 86.747,97 14.013,98 0.421,99 1.066,100 29.071,101 9.188,102 66.759,103 13.675,104 54,105 29,106 0.221,107 0.51,108 0.764,109 0.894,110 0.918,111 0.918,112 3.226,113 1.134,114 -3.21,115 -3.2,116 -3.07,118 33.9,119 1,120 8,121 1,124 1,125 3,129 4,145 1,150 1,153 1,154 11,155 1,158 3,160 1,162 4,164 10,165 1,167 3,168 1,170 4,171 10,172 1,175 2,179 4,180 8,181 1,184 3,187 1,189 5,192 7,193 1,196 3,200 4,202 7,203 1,206 3,209 1,210 4,211 6,212 1,215 3,219 4,222 6,226 1,227 1,230 2,231 1,233 6,234 1,236 1064,237 15.941,238 15.941,239 15.941,240 15.941,241 15.941,242 15.32,243 15.988,244 10.19,245 16.134,246 11.82,247 11.82,248 11.82,249 11.82,250 11.82,251 10.857,252 16.421,253 4.848,254 12.169,255 4.506,256 2.807,257 1.312,258 0.549,259 0.406,260 0.406,261 3.872,265 1,266 1,267 591,268 4.416,270 83.764,277 2.292,278 32.472,279 1,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 53,289 305,290 4.057,291 3.596,292 6.471,293 3.986,294 3.026,295 3.101,296 2.341,297 10.007,298 2.901,299 3.552,300 3.358,301 5.086,302 3.335,303 2.374,304 2.712,305 1.151,306 6.161,307 2.274,308 3.502,309 2.813,310 4.883,311 3.241,312 2.235,313 2.57,314 0.765,315 5.282,316 2.223,317 3.164,318 2.33,319 4.659,320 2.802,321 1.852,322 2.221,324 5.184,325 1.765,326 2.924,327 2.158,328 4.139,329 2.75,330 1.763,331 1.92,333 3.85,334 1.726,335 2.596,336 1.774,337 3.688,338 2.571,339 1.585,340 1.593,342 3.137,343 1.553,344 2.404,345 1.645,346 3.598,347 2.33,348 1.366,349 1.391,351 3.051,352 1.307,353 2.15,354 1.386,355 3.181,356 1.872,357 0.915,358 1.025,360 1.969,361 0.866,362 2.104,363 1.077,364 3.095,365 1.803,366 0.823,367 0.951,369 1.642,370 0.802,371 1.614,372 0.856,373 2.639,374 1.45,375 0.509,376 0.553,378 0.938,379 0.474,380 1.343,381 0.685,382 2.475,383 1.222,384 0.237,385 0.253,387 0.495,388 0.231,389 0.951,390 0.426,391 2,392 0.712,393 -0.248,394 -0.266,395 -0.504,396 -0.233,397 0.615,398 0.215,399 2,400 0.546,401 -0.418,402 -0.433,403 -0.731,404 -0.398,405 0.486,406 -0.254,407 1.848,408 0.245,409 -0.724,410 -0.772,411 -1.608,412 -0.685,413 0.327,414 -0.285,415 1.512,416 -0.011,417 -1,418 -1,419 -2,420 -0.894,421 11.167,422 0.465,423 0.459,424 0.019,425 17,426 0.708,427 3.5,428 0.146,429 13.5,430 0.563,431 27.648,432 1.152,433 30.233,434 0.54,435 11.665,436 0.486,437 2.923,438 0.122,439 8.618,440 0.359,441 0.164,443 0.224,447 0.906,448 1.37,449 1.06,450 1.355,451 0.893,452 1.25,453 0.789,454 1.404,455 1.099,456 1.4,457 0.607,458 1.32,459 0.921,460 1.035,461 1.012,462 1.039,463 0.904,464 1.043,465 0.923,466 0.982,467 0.973,468 0.985,469 0.843,470 0.988,471 0.851,472 0.981,473 0.92,474 0.981,475 0.824,476 0.966,477 0.976,478 1.044,479 0.956,480 1.035,481 0.847,482 0.996,483 1.154,484 1.027,485 1.121,486 1.032,487 1.035,488 1.066,489 1.057,490 0.931,491 1.001,492 0.933,493 0.966,494 0.954,495 4,496 0.126,497 2.222,498 1.292,499 0.73,500 0.524,501 0.412,502 0.207,503 0.161,504 0.2,505 6385,506 16536,507 1.884,508 57.1,509 15,510 9,513 3,514 2,515 2,516 1,517 1.665,518 1.756,519 3.6,520 0.957,521 1,522 1,525 72.892,526 1.302,527 3,528 4.495,529 5.258,530 5.401,531 5.401,532 3.09,533 4.418,534 4.545,535 3.808,536 1051.08,537 7.832,538 13659.8,540 1,541 1,542 325.212,543 1.397,544 4.506,545 0.167,546 0.007,547 0.077,548 0.048,549 0.029,550 0.021,551 0.016,552 0.009,553 0.008,554 0.01,555 0.392,556 0.33,557 0.88,558 2.754,559 118.842,560 -0.081,561 0.028,562 -0.019,563 0.029,564 -0.1,565 0.018,566 0.047,567 -0.192,568 -0.099,569 -0.194,570 0.096,571 -0.177,572 -0.009,573 -0.025,574 -0.04,575 -0.028,576 -0.039,577 -0.038,578 -0.065,579 0.003,580 -0.018,581 0.005,582 -0.056,583 0.003,584 0.03,585 0.007,586 0.042,587 0.01,588 0.011,589 0.026,590 -0.053,591 -0.037,592 0.02,593 -0.027,594 -0.027,595 0.006,596 -0.062,597 -0.038,598 -0.115,599 -0.049,600 -0.031,601 -0.087,602 -0.095,603 0.017,604 -0.032,605 0.017,606 -0.087,607 0.006,608 2.439,609 4.04,610 0.208,611 29.306,612 0.996,613 1.137,614 1.98,615 3.919,616 0.597,617 3.219,618 3.401,619 3.497,620 3.611,621 3.611,622 3.611,623 3.611,624 3.611,625 3.584,626 3.584,627 7.403,628 0.554,629 340.51,630 3.219,631 4.673,632 5.434,633 6.236,634 7.027,635 7.844,636 8.653,637 9.481,638 10.303,639 11.138,670 56,671 3,673 24,675 56,676 19,681 1,682 1,685 1,688 2,689 1,691 11,693 5,694 14,695 1,696 3,698 1,699 4,701 1,704 1,707 32,708 5,709 3,710 5,717 1,718 5,719 2,723 1,730 1,739 1,741 4,746 3,747 1,748 1,752 1,756 24,759 3,760 9,762 1,764 4,773 8.9,774 2,775 1,776 1,777 1,779 13.667,780 9.35,781 5.722,782 3.739,785 0.866,786 1.14,787 0.817,788 10.851,789 7.052,790 3.332,791 3.584,792 3.738,793 3.932,794 4.094,795 4.263,796 4.344,797 4.419,798 4.466,799 4.554,800 0.889,801 27,802 8.979,803 3.643,804 7.958,805 17.26,806 13.759,807 2.458,808 59,811 1,812 341.362,813 72.509,816 164.195,819 72.509,820 505.557,822 8.825,823 24.869,824 123.272,825 79.738,828 341.362,830 341.362,831 72.509,832 164.195,835 306.049,836 103.142,837 96.367,839 33.694,840 0.91,841 37.905,843 341.362,844 164.195,845 72.509,848 341.362,849 25.779,850 46.73,852 164.195,853 341.362,854 164.195,855 72.509,857 0.544,858 0.283,859 0.138,860 0.07,861 8,862 5,863 0.214,864 12,866 1,867 3.73,868 157.958,870 5,871 110.039,874 21.043,875 12.375,876 9.178,878 164.195,886 128.05,887 578.066,888 27,890 10.435,891 7.606,893 -0.772,895 55.774,896 63.69,897 0.224,898 0.517,899 0.774,900 0.905,901 0.93,902 0.93,903 4.522,904 0.915,905 5.352,906 3.051,907 4.078,908 4.263,909 2.594,910 6.014,911 4.015,912 5.591,913 0.823,914 6.821,915 1.969,916 3.434,917 3.611,918 2.243,919 6.72,920 3.302,921 6.789,922 0.509,923 8.4,924 1.642,925 5.509,926 5.872,927 3.734,928 9.778,929 5.382,930 8.014,931 0.237,932 10.05,933 0.938,934 5.74,935 6.019,936 4.112,937 11.465,938 5.527,939 9.274,940 -0.248,941 11.751,942 0.495,943 7.246,944 7.726,945 5.229,946 14.028,947 7.039,948 10.555,949 -0.418,950 13.491,951 -0.504,952 7.923,953 8.271,954 5.889,955 16.103,956 7.63,957 11.855,958 -0.724,959 15.26,960 -0.731,961 9.187,962 9.717,963 6.855,964 18.501,965 8.887,966 3.026,967 -1,968 17.052,969 -1.608,970 10.089,971 10.485,972 7.625,973 20.72,974 9.714,975 2.374,976 10.007,977 18.862,978 -2,979 11.252,980 11.792,981 8.527,982 23.06,983 10.856,984 2.235,985 6.161,986 20.685,987 3.101,988 12.263,989 12.695,990 9.342,991 25.332,992 11.804,993 1.852,994 5.282,995 22.518,996 2.712,997 13.387,998 13.923,999 10.216,1000 27.65,1001 12.897,1002 1.763,1003 5.184,1004 24.36,1005 2.57,1006 14.449,1007 14.909,1008 11.051,1009 29.94,1010 13.903,1011 1.585,1012 3.85,1013 26.207,1014 2.221,1015 15.559,1016 16.092,1017 11.912,1018 32.25,1019 14.976,1020 1.366,1021 3.137,1022 28.059,1023 1.92,1024 16.644,1025 17.13,1026 12.755,1027 34.548,1028 16.012,1029 6804,1030 11052,1031 15.197,1032 33.455,1033 34.073,1034 34.11,1035 34.663,1036 33.456,1037 33.372,1038 36.583,1039 8.513,1040 83.433,1041 32.245,1042 4.969,1043 5.426,1044 6.382,1045 5.025,1046 5.007,1047 5.488,1048 3.925,1049 16.515,1050 4.874,1051 14.692,1052 1.42,1053 1.421,1054 1.444,1055 1.394,1056 1.39,1057 1.524,1058 0.355,1059 3.476,1060 1.344,1061 3.935,1062 3.968,1063 3.835,1064 3.81,1065 7.474,1066 3.809,1067 3.759,1068 3.815,1069 3.623,1070 3.639,1071 6.453,1072 3.625,1073 3.722,1074 3.768,1075 3.588,1076 3.576,1077 6.447,1078 3.569,1079 3.54,1080 3.596,1081 3.395,1082 3.395,1083 6.351,1084 3.385,1085 3.459,1086 3.493,1087 3.337,1088 3.273,1089 4.643,1090 3.28,1091 3.223,1092 3.302,1093 3.02,1094 3.063,1095 4.37,1096 3.04,1097 3.122,1098 3.171,1099 2.95,1100 2.872,1101 4.191,1102 2.883,1103 2.934,1104 3.008,1105 2.716,1106 2.686,1107 4.074,1108 2.675,1109 0.169,1110 0.15,1111 0.27,1112 0.166,1113 0.126,1114 4.057,1115 0.129,1116 3.596,1117 0.098,1118 6.471,1119 0.417,1120 3.986,1121 0.121,1122 3.026,1123 3.101,1124 2.341,1125 10.007,1126 2.901,1127 1.83,1128 1.788,1129 2.033,1130 1.967,1131 1.361,1132 1.99,1133 1.772,1134 1.719,1135 2.003,1136 1.927,1137 1.326,1138 1.955,1139 1.665,1140 1.614,1141 1.889,1142 1.834,1143 1.224,1144 1.853,1145 1.553,1146 1.502,1147 1.799,1148 1.751,1149 1.038,1150 1.765,1151 1.375,1152 1.335,1153 1.634,1154 1.628,1155 0.852,1156 1.625,1157 1.343,1158 1.284,1159 1.611,1160 1.564,1161 0.792,1162 1.576,1163 1.115,1164 1.051,1165 1.427,1166 1.381,1167 0.624,1168 1.399,1169 0.952,1170 0.891,1171 1.296,1172 1.258,1173 0.497,1174 1.263,1175 3.892,1177 5.106,1178 2.398,1179 6.475,1180 4.727,1181 7.928,1182 6.783,1183 9.436,1185 2.135,1189 28.562,1190 6.574,1192 5.604,1194 -1.144,1199 31.003,1200 72.892,1201 167.996,1202 251.728,1203 294.457,1204 302.457,1205 302.457,1206 99.989,1207 6.186,1208 86.99,1209 86.99,1210 5,1211 11.711,1212 2,1213 2,1214 67.281,1215 101,1216 115,1217 0.311,1218 196.831,1219 360.93,1220 472.027,1221 3630,1223 17.786,1224 0.741,1225 0.61,1226 17.786,1227 14.641,1228 11.541,1229 0.481,1230 0.378,1231 8.97,1232 11.129,1233 8.791,1234 7.334,1235 11.541,1236 9.07,1237 9.542,1238 0.329,1239 0.223,1240 9.542,1241 6.47,1242 6.729,1243 0.21,1244 0.136,1245 6.729,1246 4.338,1247 4.92,1248 0.137,1249 0.079,1250 4.92,1251 2.845,1252 3.381,1253 0.094,1254 0.047,1255 3.381,1256 1.681,1257 0.506,1258 72.463,1259 0.257,1260 24.445,1261 0.799,1262 106,1263 319.92,1264 118.179,1265 294.067,1266 369.58,1267 272,1268 114,1269 233.758,1270 124.409,1271 231.47,1272 332.37,1273 218,1274 5}
{0 CHEMBL273444,1 1.361,2 14.393,3 2.933,4 8.603,5 107.78,6 6.733,7 0.207,8 4.124,9 4.229,10 3.563,11 3.596,12 5.208,13 3.567,14 4.678,15 4.833,16 3.853,17 3.96,18 5.784,19 3.894,20 4.995,21 5.221,22 3.832,23 4.061,24 6.012,25 3.947,26 4.965,27 5.215,28 3.694,29 4.007,30 5.875,31 3.872,32 4.899,33 5.147,34 3.715,35 3.963,36 5.872,37 3.839,38 4.89,39 5.123,40 3.73,41 3.946,42 5.89,43 3.836,44 4.904,45 5.145,46 3.663,47 3.911,48 5.946,49 3.788,50 4.861,51 5.123,52 3.56,53 3.832,54 5.801,55 3.702,56 0.076,57 0.725,58 13.522,59 6.08,60 20.82,61 7.687,62 0.299,63 1.149,64 24.573,65 9.689,66 60.656,67 12.768,68 0.707,69 1.402,70 35.378,71 11.944,72 96.761,73 16.56,74 0.504,75 1.352,76 34.185,77 11.608,78 76.885,79 16.36,80 0.503,81 1.28,82 31.878,83 11.008,84 77.397,85 15.53,86 0.542,87 1.256,88 31.764,89 10.699,90 79.791,91 14.897,92 0.57,93 1.245,94 32.426,95 10.615,96 97.965,97 14.913,98 0.634,99 1.16,100 31.432,101 9.93,102 85.017,103 14.119,104 25,105 36,106 0.226,107 0.57,108 0.778,109 0.879,110 0.91,111 0.91,112 3.373,113 1.01,114 -3.12,115 -3.11,116 -2.99,118 37.9,120 5,121 1,124 2,125 3,129 4,133 5,135 1,145 1,150 1,153 1,154 12,155 1,158 5,160 1,162 3,164 11,165 1,167 6,168 2,170 3,171 9,172 1,175 4,179 3,180 6,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 5,202 8,203 1,206 3,209 1,210 4,211 6,212 1,215 5,217 1,219 3,222 5,223 1,226 5,230 3,233 6,236 1592,237 18.794,238 18.794,239 18.794,240 18.794,241 18.794,242 17.422,243 20.141,244 11.822,245 19.109,246 14.337,247 14.337,248 14.337,249 14.337,250 14.337,251 12.331,252 19.93,253 5.696,254 14.893,255 4.497,256 2.426,257 1.17,258 0.565,259 0.379,260 0.379,261 4.042,265 1,266 1,267 820,268 4.359,270 97.215,271 111.431,277 2.635,278 36.918,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 62,289 403,290 4.057,291 3.596,292 6.471,293 3.986,294 3.027,295 3.446,296 2.341,297 10.007,298 2.9,299 3.902,300 3.358,301 5.364,302 3.497,303 2.557,304 3.1,305 1.151,306 7.027,307 2.399,308 3.551,309 2.983,310 5.059,311 3.256,312 2.298,313 2.711,314 0.86,315 6.067,316 2.223,317 3.484,318 2.687,319 4.869,320 3.241,321 2.236,322 2.564,323 0.765,324 5.263,325 2.19,326 3.177,327 2.329,328 4.659,329 2.815,330 1.84,331 2.236,333 5.184,334 1.805,335 2.959,336 2.167,337 4.14,338 2.762,339 1.808,340 2.097,342 3.879,343 1.697,344 2.84,345 1.803,346 3.761,347 2.458,348 1.491,349 1.862,351 3.31,352 1.434,353 2.537,354 1.696,355 3.633,356 2.432,357 1.46,358 1.517,360 3.137,361 1.411,362 2.5,363 1.47,364 3.309,365 2.037,366 1.075,367 1.5,369 2.337,370 1.024,371 2.254,372 1.227,373 3.247,374 2,375 1,376 1.181,378 2.136,379 1,380 2.151,381 1.087,382 3.238,383 1.718,384 0.798,385 0.98,387 1.83,388 0.725,389 1.645,390 1,391 2.858,392 1.528,393 0.563,394 0.586,395 1.204,396 0.536,397 1.577,398 0.803,399 2.719,400 1.267,401 0.364,402 0.421,403 0.8,404 0.327,405 1.145,406 0.579,407 2.267,408 0.919,409 -0.049,410 -0.055,411 -0.106,412 -0.047,413 0.721,414 0.274,415 2.098,416 0.513,417 -0.439,418 -0.456,419 -0.973,420 -0.41,421 13,422 0.464,423 0.527,424 0.019,425 26.5,426 0.946,427 10,428 0.357,429 16.5,430 0.589,431 27.733,432 0.99,433 33.2,434 0.572,435 19.848,436 0.709,437 5.316,438 0.19,439 8.243,440 0.294,441 0.103,443 0.231,447 0.906,448 1.239,449 0.931,450 1.218,451 0.892,452 1.099,453 0.925,454 1.325,455 1.077,456 1.318,457 0.673,458 1.243,459 1.006,460 1.022,461 1.058,462 1.028,463 0.95,464 1.051,465 0.976,466 0.978,467 1.006,468 0.982,469 0.829,470 0.998,471 0.825,472 0.981,473 0.911,474 0.982,475 0.814,476 0.968,477 1.006,478 1.02,479 1.003,480 1.018,481 1.006,482 1.011,483 1.036,484 1.036,485 1.036,486 1.036,487 0.989,488 1.036,489 1.056,490 0.815,491 0.953,492 0.818,493 0.91,494 0.857,495 4.5,496 0.177,497 2.444,498 1.229,499 0.881,500 0.615,501 0.412,502 0.278,503 0.187,504 0.158,505 11046,506 31754,507 1.976,508 51.7,509 8,510 16,513 3,514 2,516 1,517 1.705,518 1.867,519 3.769,520 0.882,521 1,522 1,525 78.939,526 1.361,527 3.432,528 4.688,529 5.293,530 5.479,531 5.479,532 3.258,533 4.45,534 4.771,535 4.004,536 1513.7,537 8.274,538 22456,540 1,541 1,542 339.763,543 1.287,544 4.745,545 0.155,546 0.007,547 0.068,548 0.037,549 0.03,550 0.02,551 0.014,552 0.01,553 0.007,554 0.006,555 0.356,556 0.33,557 0.88,558 1.946,559 146.782,560 -0.084,561 0.02,562 0.001,563 0.025,564 -0.113,565 0.03,566 -0.008,567 -0.184,568 -0.121,569 -0.188,570 0.063,571 -0.18,572 0.001,573 -0.029,574 -0.073,575 -0.038,576 -0.038,577 -0.066,578 -0.088,579 -0.008,580 -0.04,581 -0.006,582 -0.06,583 -0.012,584 0.022,585 -0.001,586 0.047,587 0.004,588 0.008,589 0.027,590 -0.028,591 -0.035,592 -0.022,593 -0.034,594 -0.056,595 -0.028,596 -0.034,597 -0.073,598 -0.049,599 -0.072,600 0.002,601 -0.065,602 -0.041,603 0.11,604 0.042,605 0.111,606 -0.044,607 0.096,608 2.429,609 4.133,610 0.393,611 37.837,612 1.004,613 1.129,614 1.886,615 3.558,616 0.623,617 3.401,618 3.611,619 3.738,620 3.871,621 3.932,622 3.85,623 3.871,624 3.892,625 3.892,626 3.932,627 8.455,628 0.589,629 390.52,630 3.401,631 4.875,632 5.652,633 6.463,634 7.262,635 8.081,636 8.892,637 9.717,638 10.537,639 11.367,651 5,656 1,658 6,668 1,670 58,671 9,672 1,673 29,675 59,676 22,677 6,678 1,679 5,681 2,682 2,688 2,689 1,691 8,693 11,694 11,695 1,696 3,698 1,699 4,701 1,704 1,707 30,708 6,709 3,710 6,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,756 28,759 3,760 7,762 2,764 4,773 10.3,774 2,775 1,776 1,777 1,778 1,779 15,780 9.433,781 6.472,782 3.475,785 1.861,786 1.276,787 0.845,788 10.114,789 8.607,790 3.584,791 3.942,792 4.23,793 4.55,794 4.875,795 4.728,796 4.858,797 5.004,798 5.166,799 5.326,800 0.9,801 33,802 10.43,803 4.318,804 7.97,805 19.764,806 15.795,807 2.47,808 69.167,811 1,812 317.82,813 113.297,816 175.195,819 113.297,820 493.014,823 21.857,824 170.653,825 79.738,826 16.243,828 317.82,830 317.82,831 113.297,832 175.195,835 306.049,836 90.599,837 96.367,839 21.857,840 53.535,841 37.905,843 317.82,844 175.195,845 113.297,848 317.82,849 28.011,850 85.286,852 175.195,853 317.82,854 175.195,855 113.297,857 0.554,858 0.294,859 0.147,860 0.076,861 12,862 6,863 0.203,864 12,866 1,867 4.211,868 203.169,870 11,871 130.606,874 22.471,875 12.603,876 8.83,878 175.195,879 9.301,884 0.703,886 128.05,887 606.311,888 35,890 10.465,891 7.476,893 -0.763,895 58.218,896 65.484,897 0.232,898 0.586,899 0.8,900 0.904,901 0.935,902 0.935,903 4.775,904 1.46,905 5.572,906 3.31,907 4.29,908 4.625,909 2.699,910 6.236,911 4.212,912 5.876,913 1.075,914 7.04,915 3.137,916 3.611,917 3.922,918 2.243,919 6.899,920 3.464,921 7.09,922 1,923 8.611,924 2.337,925 5.733,926 6.422,927 3.76,928 9.953,929 5.577,930 8.33,931 0.798,932 10.249,933 2.136,934 5.916,935 6.481,936 4.112,937 11.585,938 5.676,939 9.601,940 0.563,941 11.936,942 1.83,943 7.459,944 8.482,945 5.233,946 14.134,947 7.216,948 10.893,949 0.364,950 13.659,951 1.204,952 8.082,953 8.919,954 5.889,955 16.172,956 7.755,957 12.201,958 -0.049,959 15.411,960 0.8,961 9.367,962 10.685,963 6.856,964 18.557,965 9.033,966 3.027,967 -0.439,968 17.186,969 -0.106,970 10.223,971 11.343,972 7.625,973 20.757,974 9.814,975 2.557,976 10.007,977 18.978,978 -0.973,979 11.393,980 12.971,981 8.527,982 23.088,983 10.966,984 2.298,985 7.027,986 20.786,987 3.446,988 12.371,989 13.775,990 9.342,991 25.351,992 11.88,993 2.236,994 6.067,995 22.605,996 3.1,997 13.493,998 15.309,999 10.216,1000 27.664,1001 12.976,1002 1.84,1003 5.263,1004 24.434,1005 2.711,1006 14.532,1007 16.215,1008 11.051,1009 29.95,1010 13.959,1011 1.808,1012 5.184,1013 26.27,1014 2.564,1015 15.637,1016 17.682,1017 11.912,1018 32.257,1019 15.032,1020 1.491,1021 3.879,1022 28.113,1023 2.236,1024 16.707,1025 18.664,1026 12.755,1027 34.553,1028 16.052,1029 11108,1030 18900,1031 19.068,1032 36.148,1033 41.885,1034 42.157,1035 42.103,1036 41.067,1037 41.037,1038 48.401,1039 10.233,1040 104.361,1041 39.345,1042 4.972,1043 5.596,1044 6.334,1045 5.043,1046 5.027,1047 6.446,1048 3.925,1049 16.516,1050 4.9,1051 14.502,1052 1.444,1053 1.454,1054 1.452,1055 1.416,1056 1.415,1057 1.669,1058 0.353,1059 3.599,1060 1.357,1061 3.945,1062 3.975,1063 3.856,1064 3.834,1065 7.474,1066 3.834,1067 3.875,1068 3.902,1069 3.795,1070 3.781,1071 6.453,1072 3.779,1073 3.752,1074 3.799,1075 3.624,1076 3.621,1077 6.447,1078 3.613,1079 3.614,1080 3.652,1081 3.501,1082 3.467,1083 6.351,1084 3.466,1085 3.517,1086 3.551,1087 3.405,1088 3.338,1089 4.857,1090 3.345,1091 3.232,1092 3.278,1093 3.079,1094 3.005,1095 4.64,1096 3.014,1097 3.166,1098 3.214,1099 3.025,1100 2.965,1101 4.377,1102 2.97,1103 2.907,1104 2.971,1105 2.745,1106 2.735,1107 4.321,1108 2.715,1109 0.14,1110 0.124,1111 0.223,1112 0.137,1113 0.104,1114 4.057,1115 0.119,1116 3.596,1117 0.081,1118 6.471,1119 0.345,1120 3.986,1121 0.1,1122 3.027,1123 3.446,1124 2.341,1125 10.007,1126 2.9,1127 1.875,1128 1.851,1129 2.026,1130 1.985,1131 1.349,1132 1.993,1133 1.824,1134 1.781,1135 2.002,1136 1.954,1137 1.28,1138 1.977,1139 1.719,1140 1.675,1141 1.922,1142 1.875,1143 1.071,1144 1.891,1145 1.598,1146 1.556,1147 1.807,1148 1.785,1149 1.003,1150 1.791,1151 1.433,1152 1.391,1153 1.67,1154 1.658,1155 0.907,1156 1.657,1157 1.305,1158 1.266,1159 1.561,1160 1.582,1161 0.802,1162 1.571,1163 1.141,1164 1.09,1165 1.427,1166 1.397,1167 0.632,1168 1.402,1169 0.926,1170 0.88,1171 1.221,1172 1.202,1173 0.359,1174 1.205,1175 4.078,1177 5.313,1178 2.398,1179 6.711,1180 4.727,1181 8.185,1182 6.783,1183 9.706,1189 28.814,1190 3.636,1192 11.143,1194 -1.609,1199 34.191,1200 78.939,1201 199.056,1202 271.889,1203 307.008,1204 317.763,1205 317.763,1206 87.529,1207 6.746,1208 96.22,1209 96.22,1210 11,1211 11.943,1212 3.322,1213 2.807,1214 62.307,1215 137,1216 147,1217 0.209,1218 213.428,1219 390.44,1220 512.525,1221 8321,1223 20.192,1224 0.721,1225 0.572,1226 20.192,1227 16.022,1228 13.559,1229 0.468,1230 0.337,1231 9.633,1232 13.018,1233 9.487,1234 7.834,1235 13.559,1236 9.767,1237 11.481,1238 0.319,1239 0.193,1240 11.481,1241 6.952,1242 8.471,1243 0.207,1244 0.113,1245 8.471,1246 4.649,1247 6.35,1248 0.135,1249 0.065,1250 6.35,1251 3.067,1252 4.686,1253 0.094,1254 0.038,1255 4.686,1256 1.889,1257 0.345,1258 85.477,1259 0.229,1260 27.999,1261 0.529,1262 130,1263 419.656,1264 145.722,1265 386.408,1266 496.11,1267 360,1268 142,1269 325.212,1270 156.174,1271 322.664,1272 464.19,1273 304,1274 6.242}
{0 CHEMBL275245,1 1.404,2 14.414,3 2.924,4 8.548,5 113.381,6 6.509,7 0.2,8 4.177,9 4.297,10 3.592,11 3.657,12 5.217,13 3.614,14 4.754,15 4.942,16 3.883,17 4.041,18 5.793,19 3.956,20 5.041,21 5.282,22 3.873,23 4.183,24 5.966,25 4.052,26 5.089,27 5.35,28 3.827,29 4.168,30 5.989,31 4.022,32 5.051,33 5.303,34 3.818,35 4.134,36 5.98,37 3.992,38 5.07,39 5.337,40 3.784,41 4.1,42 5.966,43 3.959,44 5.009,45 5.26,46 3.726,47 4.041,48 6.042,49 3.895,50 4.95,51 5.222,52 3.671,53 3.985,54 5.868,55 3.84,56 0.046,57 0.811,58 14.66,59 6.31,60 13.724,61 8.455,62 0.353,63 1.301,64 26.967,65 10.062,66 52.35,67 14.16,68 0.371,69 1.584,70 36.083,71 12.718,72 66.625,73 18.339,74 0.415,75 1.583,76 37.969,77 13.218,78 75.772,79 19.127,80 0.428,81 1.535,82 36.633,83 12.671,84 71.888,85 18.317,86 0.458,87 1.512,88 37.586,89 12.368,90 75.787,91 18.082,92 0.651,93 1.418,94 35.652,95 11.66,96 107.632,97 16.923,98 0.527,99 1.339,100 33.389,101 11.027,102 74.761,103 16.148,104 39,105 38,106 0.23,107 0.542,108 0.786,109 0.894,110 0.909,111 0.909,112 3.407,113 1.044,114 -3.47,115 -3.45,116 -3.29,118 37.1,120 8,123 1,124 2,125 2,129 2,133 4,134 2,145 2,150 1,153 1,154 13,155 1,157 1,158 7,160 1,162 3,164 13,165 1,167 6,170 3,171 11,172 1,175 6,179 3,180 9,181 1,184 7,187 1,189 4,192 9,193 1,196 4,200 3,202 9,206 5,207 1,208 2,210 1,211 9,214 1,215 5,217 1,219 1,222 10,226 3,227 1,230 1,233 8,234 3,236 1638,237 19.405,238 19.405,239 19.405,240 19.405,241 19.405,242 18.189,243 24.12,244 12.096,245 19.708,246 14.803,247 14.803,248 14.803,249 14.803,250 14.803,251 12.833,252 26.326,253 5.722,254 15.199,255 4.55,256 2.645,257 1.153,258 0.496,259 0.399,260 0.399,261 4.074,265 1,266 1,267 846,268 4.416,270 99.166,271 112.565,277 2.428,278 34.858,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 63.5,289 418,290 4.143,291 3.789,292 6.471,293 3.986,294 3.027,295 3.676,296 2.341,297 10.007,298 2.899,299 4.082,300 3.596,301 5.647,302 3.724,303 2.733,304 3.278,305 1.943,306 7.89,307 2.71,308 3.564,309 3.036,310 5.185,311 3.325,312 2.355,313 2.738,314 1.151,315 6.507,316 2.279,317 3.55,318 2.841,319 4.955,320 3.241,321 2.235,322 2.71,323 0.765,324 5.525,325 2.223,326 3.307,327 2.709,328 4.672,329 2.962,330 1.97,331 2.485,332 0.736,333 5.184,334 1.954,335 2.988,336 2.317,337 4.659,338 2.767,339 1.773,340 2.009,341 0.079,342 4.975,343 1.761,344 2.804,345 1.905,346 4.137,347 2.758,348 1.761,349 1.806,351 3.847,352 1.735,353 2.677,354 1.728,355 3.687,356 2.35,357 1.367,358 1.743,360 3.126,361 1.337,362 2.433,363 1.631,364 3.507,365 2.226,366 1.25,367 1.408,369 2.671,370 1.219,371 2.146,372 1.226,373 3.207,374 1.904,375 1,376 1.107,378 1.968,379 0.901,380 2.126,381 1.158,382 3.142,383 1.867,384 0.914,385 0.936,387 1.741,388 0.857,389 1.953,390 1.142,391 3.087,392 1.644,393 0.645,394 0.855,395 1.481,396 0.64,397 1.39,398 0.663,399 2.657,400 1.251,401 0.257,402 0.274,403 0.56,404 0.254,405 1.084,406 0.526,407 2.488,408 0.849,409 -0.152,410 -0.173,411 -0.37,412 -0.15,413 1,414 0.253,415 2,416 0.686,417 -0.283,418 -0.324,419 -0.507,420 -0.264,421 13.567,422 0.468,423 0.596,424 0.021,425 27.25,426 0.94,427 10,428 0.345,429 17.25,430 0.595,431 30.338,432 1.046,433 34.433,434 0.555,435 20.749,436 0.715,437 5.278,438 0.182,439 8.713,440 0.3,441 0.135,443 0.251,447 0.807,448 1.392,449 0.948,450 1.277,451 0.724,452 1.157,453 0.792,454 1.227,455 1.034,456 1.166,457 0.542,458 1.143,459 0.896,460 1.082,461 1.056,462 1.086,463 0.921,464 1.091,465 0.876,466 1.002,467 0.969,468 1.005,469 0.886,470 1.003,471 0.882,472 1.075,473 1.014,474 1.079,475 0.914,476 1.071,477 0.99,478 0.955,479 0.97,480 0.95,481 0.958,482 0.951,483 0.991,484 1.031,485 1.064,486 1.017,487 1.056,488 1.05,489 0.907,490 0.857,491 0.918,492 0.851,493 1.001,494 0.883,495 5.5,496 0.172,497 2.444,498 1.792,499 1.032,500 0.677,501 0.593,502 0.272,503 0.221,504 0.25,505 11497,506 31443,507 1.957,508 53.2,509 6,510 15,513 2,514 4,515 6,517 1.716,518 1.832,519 3.773,520 0.194,522 1,525 87.044,526 1.404,527 3.31,528 4.801,529 5.458,530 5.555,531 5.555,532 3.28,533 4.582,534 4.823,535 3.985,536 1617.97,537 8.384,538 24129.3,540 1,542 369.16,543 1.384,544 4.785,545 0.183,546 0.006,547 0.064,548 0.05,549 0.03,550 0.021,551 0.019,552 0.009,553 0.008,554 0.009,555 0.399,556 0.33,557 0.88,558 1.974,559 152.734,560 -0.052,561 -0.085,562 0.014,563 -0.016,564 -0.051,565 0.005,566 0.052,567 -0.056,568 -0.062,569 -0.054,570 0.104,571 -0.077,572 -0.085,573 -0.025,574 -0.096,575 -0.06,576 -0.077,577 -0.075,578 -0.055,579 -0.012,580 -0.013,581 -0.008,582 -0.044,583 -0.003,584 -0.029,585 -0.067,586 -0.051,587 -0.076,588 -0.05,589 -0.07,590 -0.074,591 0.016,592 0.004,593 0.013,594 -0.066,595 0.023,596 0.028,597 -0.056,598 -0.076,599 -0.044,600 0.001,601 -0.075,602 -0.001,603 0.105,604 0.053,605 0.105,606 -0.052,607 0.088,608 2.422,609 5.169,610 0.379,611 37.049,612 0.998,613 1.132,614 2.239,615 5.014,616 0.62,617 3.434,618 3.664,619 3.807,620 3.989,621 4.043,622 4.025,623 4.043,624 4.078,625 4.043,626 4.143,627 8.321,628 0.581,629 403.57,630 3.434,631 4.92,632 5.707,633 6.535,634 7.344,635 8.181,636 9,637 9.842,638 10.669,639 11.514,640 1.6,644 1,651 4,656 2,658 6,670 62,671 9,672 1,673 30,675 63,676 23,677 6,678 2,679 4,681 2,682 2,688 3,691 10,693 10,694 13,696 3,698 2,699 2,701 2,704 1,707 33,708 6,709 2,710 6,714 1,717 1,718 5,719 1,730 1,731 1,738 1,739 1,741 2,746 2,747 1,748 2,752 1,756 29,759 2,760 10,762 1,764 2,765 1,773 8.1,774 1,775 1,776 2,777 1,779 15.833,780 10.767,781 6.722,782 3.889,785 1.674,786 1.243,787 0.873,788 10.232,789 8.575,790 3.611,791 3.998,792 4.321,793 4.702,794 5.045,795 5.049,796 5.168,797 5.323,798 5.407,799 5.659,800 0.9,801 36,802 10.815,803 4.439,804 7.908,805 20.759,806 16.667,807 2.408,808 69.833,811 1,812 364.904,813 106.701,814 3.124,816 146.656,819 106.701,820 511.561,821 3.124,822 10.883,823 30.099,824 99.541,825 109.588,826 6.371,828 364.904,830 364.904,831 109.825,832 146.656,835 294.278,836 163.6,837 53.683,839 30.099,840 60.774,841 18.952,843 364.904,844 149.781,845 106.701,848 364.904,849 38.96,850 70.865,852 146.656,853 364.904,854 149.781,855 106.701,857 0.554,858 0.298,859 0.158,860 0.08,861 13,862 7,863 0.206,864 13,866 1,867 4.199,868 218.356,870 11,871 140.881,874 23.435,875 12.662,876 8.588,878 149.781,879 7.995,884 2.134,886 85.367,887 621.385,888 36,890 22.697,891 3.755,893 -0.596,895 61.876,896 70.189,897 0.236,898 0.556,899 0.806,900 0.917,901 0.933,902 0.933,903 4.816,904 1.367,905 5.645,906 3.847,907 4.344,908 4.682,909 3.026,910 6.344,911 4.299,912 5.936,913 1.25,914 7.133,915 3.126,916 3.761,917 4.248,918 2.619,919 7.05,920 3.684,921 7.175,922 1,923 8.722,924 2.671,925 5.82,926 6.561,927 4.107,928 10.105,929 5.73,930 8.444,931 0.914,932 10.372,933 1.968,934 6.066,935 6.912,936 4.42,937 11.717,938 5.925,939 9.745,940 0.645,941 12.066,942 1.741,943 7.572,944 8.733,945 5.516,946 14.27,947 7.422,948 11.067,949 0.257,950 13.792,951 1.481,952 8.234,953 9.459,954 6.119,955 16.277,956 8.024,957 12.407,958 -0.152,959 15.542,960 0.56,961 9.498,962 11.064,963 7.063,964 18.659,965 9.274,966 3.027,967 -0.283,968 17.312,969 -0.37,970 10.374,971 11.996,972 7.792,973 20.835,974 10.091,975 2.733,976 10.007,977 19.099,978 -0.507,979 11.532,980 13.489,981 8.674,982 23.158,983 11.227,984 2.355,985 7.89,986 20.899,987 3.676,988 12.516,989 14.543,990 9.462,991 25.405,992 12.156,993 2.235,994 6.507,995 22.71,996 3.278,997 13.63,998 15.97,999 10.319,1000 27.71,1001 13.239,1002 1.97,1003 5.525,1004 24.53,1005 2.738,1006 14.668,1007 17.103,1008 11.135,1009 29.986,1010 14.226,1011 1.773,1012 5.184,1013 26.358,1014 2.71,1015 15.766,1016 18.487,1017 11.984,1018 32.287,1019 15.288,1020 1.761,1021 4.975,1022 28.193,1023 2.485,1024 16.831,1025 19.672,1026 12.814,1027 34.577,1028 16.304,1029 11673,1030 19368,1031 19.474,1032 38.461,1033 43.126,1034 43.917,1035 44.159,1036 42.615,1037 42.574,1038 50.054,1039 14.029,1040 110.965,1041 41.536,1042 5.119,1043 5.789,1044 6.295,1045 4.995,1046 5.027,1047 6.676,1048 3.925,1049 16.517,1050 4.899,1051 16.633,1052 1.438,1053 1.464,1054 1.472,1055 1.42,1056 1.419,1057 1.668,1058 0.468,1059 3.699,1060 1.385,1061 3.982,1062 4.019,1063 3.904,1064 3.905,1065 7.474,1066 3.9,1067 3.898,1068 3.938,1069 3.817,1070 3.767,1071 7.427,1072 3.771,1073 3.745,1074 3.798,1075 3.61,1076 3.612,1077 6.451,1078 3.6,1079 3.583,1080 3.622,1081 3.474,1082 3.431,1083 6.351,1084 3.434,1085 3.494,1086 3.539,1087 3.357,1088 3.312,1089 4.78,1090 3.31,1091 3.37,1092 3.419,1093 3.216,1094 3.131,1095 4.532,1096 3.14,1097 3.171,1098 3.228,1099 2.995,1100 2.963,1101 4.392,1102 2.956,1103 3.124,1104 3.182,1105 2.981,1106 2.927,1107 4.131,1108 2.935,1109 0.138,1110 0.126,1111 0.216,1112 0.133,1113 0.101,1114 4.143,1115 0.123,1116 3.789,1117 0.078,1118 6.471,1119 0.334,1120 3.986,1121 0.097,1122 3.027,1123 3.676,1124 2.341,1125 10.007,1126 2.899,1127 1.944,1128 1.919,1129 2.066,1130 2.031,1131 1.377,1132 2.044,1133 1.788,1134 1.732,1135 2.021,1136 1.958,1137 1.272,1138 1.98,1139 1.71,1140 1.666,1141 1.904,1142 1.861,1143 1.199,1144 1.875,1145 1.554,1146 1.505,1147 1.788,1148 1.771,1149 1.086,1150 1.774,1151 1.486,1152 1.435,1153 1.73,1154 1.689,1155 0.966,1156 1.702,1157 1.344,1158 1.297,1159 1.625,1160 1.611,1161 0.795,1162 1.612,1163 1.267,1164 1.211,1165 1.533,1166 1.543,1167 0.656,1168 1.539,1169 1.083,1170 1.022,1171 1.394,1172 1.34,1173 0.586,1174 1.351,1175 4.111,1177 5.361,1178 2.398,1179 6.777,1180 4.727,1181 8.275,1182 6.783,1183 9.823,1185 1.662,1189 19.044,1190 6.663,1192 5.149,1194 -0.558,1195 1.889,1199 36.024,1200 87.044,1201 205.189,1202 297.676,1203 338.405,1204 344.405,1205 344.405,1206 92.189,1207 6.901,1208 87.07,1209 87.07,1210 11,1211 12.08,1212 3.322,1213 2.807,1214 65.861,1215 142,1216 150,1217 0.218,1218 225.819,1219 409.95,1220 542.757,1221 9840,1223 21.062,1224 0.726,1225 0.595,1226 21.062,1227 17.256,1228 13.99,1229 0.466,1230 0.348,1231 10.302,1232 13.445,1233 10.064,1234 8.359,1235 13.99,1236 10.437,1237 11.97,1238 0.315,1239 0.202,1240 11.97,1241 7.66,1242 8.752,1243 0.199,1244 0.119,1245 8.752,1246 5.217,1247 7.007,1248 0.132,1249 0.071,1250 7.007,1251 3.737,1252 4.989,1253 0.089,1254 0.042,1255 4.989,1256 2.338,1257 0.357,1258 87.996,1259 0.227,1260 28.559,1261 0.559,1262 136,1263 415.151,1264 149.708,1265 388.392,1266 497.58,1267 360,1268 150,1269 325.472,1270 161.635,1271 329.63,1272 470.06,1273 307,1274 4.886}
{0 CHEMBL275667,1 1.504,2 13.786,3 2.985,4 8.908,5 110.81,6 6.729,7 0.367,8 4.115,9 4.256,10 3.585,11 3.608,12 5.152,13 3.568,14 4.677,15 4.874,16 3.873,17 4.001,18 5.638,19 3.917,20 4.966,21 5.229,22 3.775,23 4.101,24 5.813,25 3.961,26 4.966,27 5.233,28 3.709,29 4.065,30 5.831,31 3.914,32 4.961,33 5.236,34 3.711,35 4.025,36 5.837,37 3.879,38 4.931,39 5.204,40 3.679,41 3.986,42 5.804,43 3.848,44 4.888,45 5.159,46 3.621,47 3.941,48 5.836,49 3.795,50 4.815,51 5.091,52 3.586,53 3.896,54 5.677,55 3.755,56 0.12,57 0.852,58 13.291,59 5.388,60 13.813,61 7.527,62 0.245,63 1.327,64 24.118,65 8.855,66 25.956,67 12.98,68 0.326,69 1.485,70 33.369,71 11.31,72 46.038,73 16.975,74 0.338,75 1.446,76 33.513,77 11.198,78 54.576,79 16.844,80 0.406,81 1.404,82 33.665,83 10.827,84 55.7,85 16.44,86 0.379,87 1.357,88 32.771,89 10.244,90 53.328,91 15.588,92 0.471,93 1.298,94 31.469,95 9.859,96 74.446,97 15.016,98 0.39,99 1.238,100 29.135,101 9.332,102 48.994,103 14.097,104 5,105 38,106 0.248,107 0.569,108 0.752,109 0.868,110 0.888,111 0.888,112 3.373,113 1.014,114 -4.63,115 -4.55,116 -4.28,118 36.8,120 8,124 1,125 2,129 2,133 5,134 1,139 1,145 1,149 1,152 2,154 13,157 3,158 7,160 1,162 2,164 13,167 6,170 3,171 11,175 6,179 3,180 9,184 7,187 1,189 4,192 9,196 6,200 3,202 9,206 5,208 1,210 2,211 9,214 2,215 4,219 1,222 10,225 1,226 3,228 1,230 1,233 8,236 1544,237 19.242,238 19.242,239 19.242,240 19.242,241 19.242,242 17.585,243 19.228,244 12.021,245 19.44,246 14.854,247 14.854,248 14.854,249 14.854,250 14.854,251 12.382,252 18.609,253 5.78,254 15.18,255 4.329,256 2.387,257 1.282,258 0.575,259 0.456,260 0.456,261 4.058,265 1,266 1,267 820,268 3.808,270 188.102,271 107.741,277 2.515,278 23.863,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 60.5,289 386,290 4.141,291 3.789,292 6.471,293 3.986,294 3.027,295 3.479,296 1.943,297 10.007,298 2.899,299 3.931,300 2.995,301 5.485,302 3.609,303 2.622,304 3.458,305 0.765,306 7.394,307 2.589,308 3.92,309 2.764,310 5.352,311 3.494,312 2.542,313 3.277,314 0.736,315 6.997,316 2.418,317 3.469,318 2.734,319 4.988,320 3.142,321 2.165,322 2.611,323 0.079,324 5.713,325 2.109,326 3.063,327 2.435,328 4.761,329 2.821,330 1.824,331 2.148,333 5.134,334 1.812,335 2.871,336 1.899,337 4.139,338 2.805,339 1.799,340 1.917,342 3.875,343 1.802,344 2.816,345 1.641,346 3.775,347 2.46,348 1.47,349 1.872,351 3.318,352 1.453,353 2.66,354 1.522,355 3.585,356 2.403,357 1.408,358 1.689,360 3.021,361 1.4,362 2.5,363 1.355,364 3.469,365 2.192,366 1.208,367 1.5,369 2.674,370 1.187,371 2.389,372 1.151,373 3.247,374 2,375 1,376 1.364,378 2.136,379 1,380 2.136,381 1,382 3.165,383 1.844,384 0.859,385 0.927,387 1.879,388 0.844,389 2.118,390 0.892,391 3.089,392 1.636,393 0.639,394 0.919,395 1.467,396 0.633,397 1.929,398 0.618,399 3,400 1.591,401 0.618,402 0.847,403 1.372,404 0.6,405 1.38,406 0.546,407 2.672,408 1.231,409 0.247,410 0.268,411 0.55,412 0.243,413 1.067,414 0.229,415 2.483,416 0.846,417 -0.152,418 -0.174,419 -0.367,420 -0.151,421 13.167,422 0.47,423 0.452,424 0.016,425 29.25,426 1.045,427 12.5,428 0.446,429 16.75,430 0.598,431 27.263,432 0.974,433 31.833,434 0.558,435 19.354,436 0.691,437 5.491,438 0.196,439 8.23,440 0.294,441 0.051,443 0.22,447 0.68,448 1.196,449 0.894,450 1.174,451 0.673,452 1.086,453 0.673,454 1.24,455 1.014,456 1.264,457 0.632,458 1.201,459 0.968,460 0.97,461 1.018,462 1.047,463 0.985,464 1.044,465 1.015,466 0.993,467 1.047,468 1.077,469 1.111,470 1.073,471 1.026,472 0.927,473 0.983,474 0.991,475 1.08,476 0.988,477 1.205,478 0.923,479 1.028,480 0.978,481 1.239,482 0.982,483 1.12,484 0.944,485 1.04,486 0.981,487 1.186,488 1.004,489 1.073,490 0.824,491 0.991,492 0.904,493 1.237,494 0.938,495 4,496 0.112,497 2.222,498 1.451,499 0.846,500 0.445,501 0.445,502 0.219,503 0.179,504 0.19,505 11870,506 30030,507 2.076,508 50.9,509 6,510 11,513 2,514 4,515 6,517 1.705,518 2,519 3.716,520 0.247,521 1,522 1,525 85.745,526 1.504,527 3.446,528 4.551,529 5.258,530 5.377,531 5.377,532 3.213,533 4.522,534 4.775,535 3.957,536 1495.68,537 8.276,538 21914.6,540 1,541 1,542 332.475,543 1.095,544 4.765,545 0.133,546 0.004,547 0.058,548 0.044,549 0.028,550 0.015,551 0.015,552 0.008,553 0.007,554 0.007,555 0.32,556 0.17,557 0.88,558 0.444,559 146.16,560 0.12,561 0.123,562 0.047,563 0.02,564 0.016,565 0.013,566 0.119,567 -0.067,568 -0.067,569 -0.159,570 0.049,571 -0.148,572 -0.083,573 0.003,574 -0.056,575 -0.025,576 -0.064,577 -0.033,578 -0.089,579 -0.043,580 -0.08,581 -0.065,582 -0.066,583 -0.07,584 -0.026,586 -0.004,587 -0.004,588 -0.025,590 -0.117,591 0.006,592 -0.037,593 -0.002,594 -0.098,595 -0.004,596 -0.016,597 -0.021,598 -0.048,599 -0.002,600 0.029,601 -0.025,602 -0.06,603 0.116,604 -0.007,605 0.075,606 -0.109,607 0.043,608 1.856,609 5.198,610 0.571,611 35.031,612 0.996,613 1.138,614 3.403,615 11.578,616 0.633,617 3.434,618 3.664,619 3.85,620 4.025,621 4.007,622 3.932,623 3.97,624 4.007,625 4.007,626 4.111,627 8.235,628 0.594,629 383.55,630 3.434,631 4.92,632 5.72,633 6.544,634 7.358,635 8.187,636 9.008,637 9.841,638 10.666,639 11.501,640 8.8,644 1,645 1,647 3,651 5,652 3,653 1,656 2,658 11,670 57,671 13,672 1,673 30,675 59,676 21,677 7,678 1,679 5,681 3,682 3,688 3,691 10,693 10,694 11,696 2,698 1,699 2,701 1,704 1,707 29,708 6,709 2,710 7,714 5,717 1,718 2,719 1,730 2,731 1,738 1,741 2,746 1,748 3,756 28,759 1,760 9,764 2,765 1,773 3.5,774 1,776 1,779 14,780 9.667,781 6.389,782 3.718,785 2.007,786 1.288,787 0.916,788 8.042,789 8.975,790 3.651,791 4.073,792 4.479,793 4.869,794 5.016,795 4.877,796 5.013,797 5.179,798 5.303,799 5.542,800 1,801 33,802 10.397,803 4.304,804 7.702,805 20.212,806 16.474,807 2.202,808 61.667,811 1,812 317.82,813 98.934,814 69.531,816 67.828,819 98.934,820 385.648,821 69.531,823 25.506,824 109.017,825 79.716,826 22.054,828 317.82,830 317.82,831 168.465,832 67.828,835 249.521,836 95.772,837 42.683,839 42.047,840 55.271,841 68.819,843 317.82,844 137.36,845 98.934,848 317.82,849 32.6,850 69.458,851 16.54,852 117.695,853 317.82,854 137.36,855 98.934,857 0.557,858 0.313,859 0.167,860 0.077,861 15,862 6,863 0.186,864 11,866 1,867 4.298,868 212.514,870 16,871 130.606,874 20.537,875 10.965,876 6.735,878 120.819,879 9.956,880 11.435,881 2.482,884 1.869,886 59.224,887 554.113,888 37.5,890 12.198,891 3.85,893 0.221,895 56.767,896 64.893,897 0.258,898 0.591,899 0.78,900 0.901,901 0.922,902 0.922,903 4.842,904 1.408,905 5.638,906 3.318,907 4.344,908 4.758,909 2.241,910 6.326,911 4.299,912 5.956,913 1.208,914 7.114,915 3.021,916 3.611,917 4.06,918 1.668,919 6.986,920 3.494,921 7.184,922 1,923 8.692,924 2.674,925 5.808,926 6.671,927 3.026,928 10.069,929 5.702,930 8.446,931 0.859,932 10.337,933 2.136,934 5.994,935 6.868,936 3.138,937 11.687,938 5.799,939 9.742,940 0.639,941 12.029,942 1.879,943 7.553,944 8.848,945 4.15,946 14.233,947 7.37,948 11.062,949 0.618,950 13.756,951 1.467,952 8.188,953 9.472,954 4.549,955 16.249,956 7.919,957 12.4,958 0.247,959 15.508,960 1.372,961 9.473,962 11.157,963 5.395,964 18.625,965 9.203,966 3.027,967 -0.152,968 17.281,969 0.55,970 10.335,971 12.007,972 5.925,973 20.807,974 9.989,975 2.622,976 10.007,977 19.069,978 -0.367,979 11.5,980 13.534,981 6.684,982 23.13,983 11.139,984 2.542,985 7.394,986 20.871,987 3.479,988 12.476,989 14.513,990 7.279,991 25.381,992 12.049,993 2.165,994 6.997,995 22.684,996 3.458,997 13.592,998 15.946,999 7.993,1000 27.687,1001 13.138,1002 1.824,1003 5.713,1004 24.506,1005 3.277,1006 14.625,1007 17.006,1008 8.621,1009 29.967,1010 14.114,1011 1.799,1012 5.134,1013 26.335,1014 2.611,1015 15.722,1016 18.38,1017 9.312,1018 32.27,1019 15.177,1020 1.47,1021 3.875,1022 28.17,1023 2.148,1024 16.785,1025 19.491,1026 9.957,1027 34.563,1028 16.188,1029 11368,1030 18226,1031 20.455,1032 36.074,1033 43.651,1034 43.344,1035 43.464,1036 42.898,1037 42.853,1038 52.55,1039 7.045,1040 111.073,1041 41.978,1042 5.121,1043 5.789,1044 6.299,1045 5.01,1046 5.027,1047 6.479,1048 3.352,1049 16.517,1050 4.899,1051 9.714,1052 1.455,1053 1.445,1054 1.449,1055 1.43,1056 1.428,1057 1.752,1058 0.235,1059 3.702,1060 1.399,1061 3.97,1062 4.017,1063 3.886,1064 3.881,1065 7.427,1066 3.875,1067 3.887,1068 3.939,1069 3.809,1070 3.763,1071 6.451,1072 3.767,1073 3.846,1074 3.918,1075 3.79,1076 3.639,1077 5.257,1078 3.645,1079 3.648,1080 3.723,1081 3.504,1082 3.446,1083 4.748,1084 3.46,1085 3.548,1086 3.591,1087 3.434,1088 3.382,1089 4.393,1090 3.391,1091 3.325,1092 3.415,1093 3.135,1094 3.098,1095 4.138,1096 3.106,1097 3.131,1098 3.185,1099 2.997,1100 2.993,1101 3.95,1102 2.982,1103 2.955,1104 3.061,1105 2.736,1106 2.735,1107 3.785,1108 2.715,1109 0.138,1110 0.126,1111 0.216,1112 0.133,1113 0.101,1114 4.141,1115 0.116,1116 3.789,1117 0.065,1118 6.471,1119 0.334,1120 3.986,1121 0.097,1122 3.027,1123 3.479,1124 1.943,1125 10.007,1126 2.899,1127 1.926,1128 1.897,1129 2.059,1130 2.014,1131 1.379,1132 2.031,1133 1.788,1134 1.73,1135 2.021,1136 1.954,1137 1.257,1138 1.978,1139 1.707,1140 1.66,1141 1.9,1142 1.851,1143 1.179,1144 1.869,1145 1.559,1146 1.503,1147 1.789,1148 1.767,1149 1.095,1150 1.773,1151 1.476,1152 1.422,1153 1.717,1154 1.67,1155 0.905,1156 1.684,1157 1.321,1158 1.263,1159 1.54,1160 1.617,1161 0.781,1162 1.562,1163 1.116,1164 1.03,1165 1.391,1166 1.541,1167 0.611,1168 1.505,1169 1.056,1170 0.924,1171 1.242,1172 1.325,1173 0.358,1174 1.341,1175 4.111,1177 5.361,1178 3.045,1179 6.777,1180 5.283,1181 8.269,1182 7.248,1183 9.806,1189 10.26,1190 7.846,1194 -0.414,1195 1.963,1199 33.858,1200 85.745,1201 196.411,1202 259.381,1203 299.72,1204 306.475,1205 306.475,1206 58.813,1207 6.969,1208 95,1209 95,1210 16,1211 12.073,1212 3.807,1213 3.087,1214 50,1215 134,1216 130,1217 0.17,1218 211.502,1219 367.08,1220 507.824,1221 11442,1223 19.606,1224 0.7,1225 0.579,1226 19.606,1227 16.204,1228 13.72,1229 0.457,1230 0.338,1231 10.027,1232 13.21,1233 9.868,1234 8.184,1235 13.72,1236 10.143,1237 11.543,1238 0.304,1239 0.193,1240 11.543,1241 7.327,1242 9.194,1243 0.2,1244 0.112,1245 9.194,1246 5.156,1247 7.322,1248 0.133,1249 0.066,1250 7.322,1251 3.634,1252 4.953,1253 0.092,1254 0.042,1255 4.953,1256 2.269,1257 0.28,1258 85.922,1259 0.221,1260 27.926,1261 0.432,1262 136,1263 378.799,1264 149.449,1265 366.107,1266 491.86,1267 342,1268 152,1269 357.372,1270 165.313,1271 356.314,1272 507.47,1273 336,1274 4.886}
{0 CHEMBL277158,1 1.502,2 13.63,3 2.902,4 8.423,5 110.204,6 6.992,7 0.214,8 4.076,9 4.19,10 3.61,11 3.618,12 5.105,13 3.549,14 4.646,15 4.824,16 3.882,17 3.993,18 5.648,19 3.876,20 4.904,21 5.133,22 3.914,23 4.088,24 5.858,25 3.948,26 4.913,27 5.157,28 3.764,29 4.065,30 5.835,31 3.895,32 4.93,33 5.187,34 3.742,35 4.022,36 5.843,37 3.857,38 4.869,39 5.114,40 3.731,41 3.98,42 5.796,43 3.83,44 4.882,45 5.141,46 3.771,47 3.966,48 5.862,49 3.785,50 4.758,51 5.018,52 3.606,53 3.883,54 5.639,55 3.713,56 0.028,57 0.748,58 13.386,59 6.015,60 10.557,61 7.631,62 0.327,63 1.228,64 27.75,65 10.159,66 35.312,67 12.955,68 0.39,69 1.454,70 36.085,71 12.07,72 54.889,73 15.997,74 0.319,75 1.434,76 34.766,77 12.499,78 62.774,79 16.644,80 0.443,81 1.428,82 38.048,83 12.373,84 64.098,85 16.533,86 0.347,87 1.331,88 32.149,89 11.322,90 60.197,91 15.244,92 0.517,93 1.339,94 35.858,95 11.791,96 85.528,97 15.518,98 0.439,99 1.216,100 32.592,101 10.768,102 52.287,103 14.122,104 25,105 35,106 0.251,107 0.57,108 0.808,109 0.877,110 0.886,111 0.886,112 3.338,113 1.135,114 -3.81,115 -3.77,116 -3.58,118 37.5,120 5,123 1,124 3,125 2,129 2,133 5,134 1,145 2,154 10,157 2,158 5,162 2,164 11,167 5,170 2,171 10,175 2,179 2,180 8,184 6,187 1,189 3,192 9,196 3,200 2,202 6,206 4,208 1,210 1,211 8,214 2,215 3,219 1,222 7,226 3,233 6,236 1395,237 18.25,238 18.25,239 18.25,240 18.25,241 18.25,242 17.06,243 20.068,244 11.338,245 18.738,246 13.765,247 13.765,248 13.765,249 13.765,250 13.765,251 11.846,252 19.469,253 5.364,254 14.399,255 4.306,256 2.397,257 0.976,258 0.563,259 0.513,260 0.513,261 4.006,265 1,266 1,267 749,268 4.243,270 92.383,271 104.706,277 2.458,278 29.045,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 58.5,289 368,290 4.141,291 4.304,292 6.471,293 3.986,294 3.027,295 3.458,296 3.42,297 10.007,298 2.899,299 3.931,300 3.789,301 5.485,302 3.609,303 2.622,304 3.277,305 2.218,306 7.394,307 2.589,308 3.639,309 3.557,310 4.989,311 3.298,312 2.346,313 2.81,314 1.943,315 5.892,316 2.202,317 3.469,318 2.995,319 4.988,320 3.142,321 2.165,322 2.611,323 0.765,324 5.713,325 2.109,326 3.063,327 2.764,328 4.761,329 2.82,330 1.818,331 2.148,332 0.736,333 5.134,334 1.811,335 2.849,336 2.435,337 4.139,338 2.739,339 1.777,340 1.908,341 0.277,342 3.859,343 1.702,344 2.787,345 2.334,346 3.721,347 2.407,348 1.414,349 1.798,350 0.079,351 3.181,352 1.403,353 2.5,354 1.812,355 3.585,356 2.291,357 1.383,358 1.5,360 3.019,361 1.238,362 2.441,363 1.524,364 3.247,365 2,366 1,367 1.42,369 2.136,370 1,371 2.139,372 1.461,373 3.243,374 1.849,375 0.956,376 0.963,378 2.05,379 0.831,380 1.969,381 1.156,382 3.126,383 1.638,384 0.654,385 0.862,387 1.486,388 0.637,389 1.506,390 1.131,391 2.753,392 1.318,393 0.422,394 0.439,395 0.759,396 0.371,397 1.37,398 1,399 2.508,400 1.062,401 0.122,402 0.137,403 0.202,404 0.112,405 1.071,406 0.548,407 2.207,408 0.816,409 -0.168,410 -0.193,411 -0.393,412 -0.162,413 0.979,414 0.156,415 2,416 0.639,417 -0.337,418 -0.395,419 -0.731,420 -0.316,421 13.067,422 0.484,423 0.489,424 0.018,425 26,426 0.963,427 10,428 0.37,429 16,430 0.593,431 27.945,432 1.035,433 31.333,434 0.56,435 17.749,436 0.657,437 4.679,438 0.173,439 8.418,440 0.312,441 0.115,443 0.222,447 0.75,448 1.309,449 0.847,450 1.118,451 0.65,452 1.096,453 0.793,454 1.239,455 1.219,456 1.241,457 0.612,458 1.148,459 1,460 1.049,461 1.023,462 1.061,463 0.999,464 1.051,465 0.913,466 1.063,467 0.997,468 1.035,469 1.065,470 1.083,471 0.957,472 0.991,473 1.084,474 1.044,475 0.971,476 0.979,477 1.094,478 0.991,479 0.871,480 0.902,481 1.125,482 1.007,483 0.99,484 0.929,485 0.94,486 0.904,487 1.026,488 0.936,489 0.878,490 0.882,491 1.109,492 0.97,493 0.946,494 0.9,495 4.5,496 0.135,497 2.444,498 1.479,499 0.881,500 0.476,501 0.471,502 0.24,503 0.197,504 0.215,505 9679,506 27213,507 1.975,508 51.8,510 18,513 1,514 2,515 8,517 1.696,518 1.862,519 3.697,520 -0.346,521 1,522 1,525 84.092,526 1.502,527 3.41,528 4.832,529 5.245,530 5.294,531 5.294,532 3.204,533 4.357,534 4.72,535 3.914,536 1373.89,537 8.174,538 19494.5,540 1,541 1,542 325.212,543 1.311,544 4.691,545 0.161,546 0.006,547 0.07,548 0.045,549 0.03,550 0.016,551 0.017,552 0.009,553 0.008,554 0.008,555 0.37,556 0.33,557 0.88,558 1.993,559 139.058,560 -0.029,561 -0.089,562 0.054,563 0.007,564 -0.034,565 0.003,566 0.077,567 -0.089,568 -0.124,569 -0.108,570 0.049,571 -0.105,572 -0.075,573 -0.014,574 -0.041,575 -0.066,576 -0.066,577 -0.061,578 -0.074,579 -0.076,580 -0.075,581 -0.069,582 -0.075,583 -0.091,584 -0.027,585 -0.015,586 -0.054,587 -0.046,588 -0.033,589 0.001,590 -0.098,591 -0.035,592 -0.017,593 -0.008,594 -0.098,595 -0.045,596 0.013,597 0.024,598 0.068,599 0.066,600 0.019,601 0.031,602 0.016,603 0.109,604 -0.029,605 0.061,606 -0.05,607 0.087,608 1.875,609 5.132,610 0.407,611 33.531,612 0.997,613 1.126,614 2.577,615 6.643,616 0.645,617 3.367,618 3.584,619 3.738,620 3.871,621 3.912,622 3.829,623 3.871,624 3.912,625 3.912,626 4.007,627 7.974,628 0.597,629 391.58,630 3.367,631 4.844,632 5.631,633 6.447,634 7.253,635 8.078,636 8.894,637 9.725,638 10.549,639 11.384,640 1.8,644 1,651 5,656 1,658 6,670 56,671 9,672 1,673 28,675 57,676 21,677 6,678 1,679 5,681 2,682 2,688 3,691 7,693 10,694 11,696 3,698 2,699 2,701 2,704 1,707 29,708 5,709 1,710 6,711 1,714 1,717 1,718 4,719 1,730 1,731 1,738 1,740 1,741 2,746 1,748 2,749 1,750 1,752 1,756 27,759 1,760 8,762 1,763 1,764 2,765 1,773 7.1,774 1,776 2,778 1,779 14.5,780 9.817,781 6.306,782 3.394,785 1.553,786 1.232,787 0.888,788 9.782,789 8.241,790 3.555,791 3.922,792 4.245,793 4.55,794 4.871,795 4.708,796 4.867,797 5.057,798 5.196,799 5.444,800 1,801 33,802 10.062,803 4.102,804 7.833,805 19.389,806 15.473,807 2.333,808 63,811 1,812 329.591,813 141.096,814 3.124,816 103.973,818 32.22,819 108.876,820 433.564,821 3.124,822 10.883,823 19.702,824 109.017,825 62.186,826 14.185,828 361.81,830 329.591,831 112,832 103.973,833 32.22,835 235.422,836 155.459,837 42.683,839 19.702,840 73.346,841 18.952,842 32.22,843 329.591,844 107.097,845 141.096,848 329.591,849 63.879,850 80.341,852 103.973,853 329.591,854 107.097,855 141.096,857 0.554,858 0.309,859 0.152,860 0.075,861 12,862 6,863 0.211,864 12,866 1,867 4.071,868 195.953,870 11,871 124.382,872 1,874 21.841,875 12.093,876 7.978,878 107.097,879 9.891,884 1.096,886 42.683,887 577.784,888 34,890 23.189,891 3.792,893 -0.015,895 55.858,896 63.069,897 0.259,898 0.587,899 0.832,900 0.903,901 0.912,902 0.912,903 4.749,904 1.383,905 5.557,906 3.181,907 4.263,908 4.605,909 3.71,910 6.24,911 4.187,912 5.856,913 1,914 7.038,915 3.019,916 3.611,917 4.034,918 2.619,919 6.934,920 3.521,921 7.084,922 0.956,923 8.622,924 2.136,925 5.727,926 6.445,927 5.747,928 9.991,929 5.584,930 8.342,931 0.654,932 10.271,933 2.05,934 5.943,935 6.663,936 4.801,937 11.623,938 5.767,939 9.633,940 0.422,941 11.965,942 1.486,943 7.471,944 8.556,945 8.06,946 14.174,947 7.261,948 10.946,949 0.122,950 13.693,951 0.759,952 8.12,953 9.14,954 7.149,955 16.202,956 7.862,957 12.276,958 -0.168,959 15.448,960 0.202,961 9.394,962 10.807,963 10.452,964 18.587,965 9.108,966 3.027,967 -0.337,968 17.223,969 -0.393,970 10.266,971 11.588,972 9.654,973 20.779,974 9.927,975 2.622,976 10.007,977 19.015,978 -0.731,979 11.429,980 13.133,981 12.872,982 23.108,983 11.061,984 2.346,985 7.394,986 20.821,987 3.458,988 12.413,989 14.033,990 12.22,991 25.365,992 11.992,993 2.165,994 5.892,995 22.638,996 3.277,997 13.531,998 15.501,999 15.301,1000 27.676,1001 13.076,1002 1.818,1003 5.713,1004 24.464,1005 2.81,1006 14.571,1007 16.481,1008 14.797,1009 29.959,1010 14.066,1011 1.777,1012 5.134,1013 26.298,1014 2.611,1015 15.673,1016 17.895,1017 17.736,1018 32.264,1019 15.129,1020 1.414,1021 3.859,1022 28.138,1023 2.148,1024 16.742,1025 18.934,1026 17.365,1027 34.558,1028 16.149,1029 9764,1030 16452,1031 18.375,1032 36.131,1033 40.038,1034 43.919,1035 41.029,1036 39.339,1037 39.412,1038 46.663,1039 18.876,1040 101.661,1041 37.81,1042 5.122,1043 6.304,1044 6.296,1045 5.072,1046 5.027,1047 6.458,1048 6.747,1049 16.517,1050 4.899,1051 14.036,1052 1.43,1053 1.569,1054 1.465,1055 1.405,1056 1.408,1057 1.667,1058 0.674,1059 3.631,1060 1.35,1061 3.965,1062 4.006,1063 3.923,1064 3.881,1065 7.433,1066 3.874,1067 3.882,1068 3.922,1069 3.859,1070 3.761,1071 7.426,1072 3.763,1073 3.671,1074 3.711,1075 3.794,1076 3.597,1077 6.451,1078 3.537,1079 3.565,1080 3.596,1081 3.46,1082 3.417,1083 4.748,1084 3.413,1085 3.511,1086 3.546,1087 3.384,1088 3.316,1089 4.501,1090 3.316,1091 3.177,1092 3.253,1093 3.18,1094 2.995,1095 4.391,1096 2.983,1097 3.131,1098 3.185,1099 2.997,1100 2.989,1101 4.097,1102 2.957,1103 3.019,1104 3.113,1105 2.773,1106 2.784,1107 3.905,1108 2.763,1109 0.148,1110 0.154,1111 0.231,1112 0.142,1113 0.108,1114 4.141,1115 0.123,1116 4.304,1117 0.122,1118 6.471,1119 0.357,1120 3.986,1121 0.104,1122 3.027,1123 3.458,1124 3.42,1125 10.007,1126 2.899,1127 1.926,1128 1.897,1129 2.059,1130 2.014,1131 1.316,1132 2.031,1133 1.752,1134 1.702,1135 1.953,1136 1.916,1137 1.245,1138 1.934,1139 1.67,1140 1.625,1141 1.88,1142 1.814,1143 1.171,1144 1.842,1145 1.506,1146 1.471,1147 1.725,1148 1.729,1149 0.945,1150 1.721,1151 1.454,1152 1.417,1153 1.65,1154 1.679,1155 0.883,1156 1.684,1157 1.331,1158 1.282,1159 1.573,1160 1.575,1161 0.753,1162 1.581,1163 1.135,1164 1.061,1165 1.45,1166 1.373,1167 0.611,1168 1.423,1169 1.029,1170 0.948,1171 1.367,1172 1.255,1173 0.553,1174 1.298,1175 4.043,1177 5.283,1178 2.398,1179 6.693,1180 4.727,1181 8.181,1182 6.783,1183 9.714,1185 1.395,1189 10.223,1190 5.814,1192 4.609,1193 1.56,1194 -0.467,1195 1.913,1199 33.443,1200 84.092,1201 190.957,1202 270.583,1203 293.702,1204 296.457,1205 296.457,1206 75.914,1207 6.688,1208 66.84,1209 92.14,1210 11,1211 11.956,1212 3.322,1213 2.807,1214 58.732,1215 125,1216 139,1217 0.218,1218 213.769,1219 385.07,1220 513.355,1221 7483,1223 19.485,1224 0.722,1225 0.618,1226 19.838,1227 16.697,1228 13.097,1229 0.468,1230 0.378,1231 9.43,1232 12.145,1233 9.085,1234 7.524,1235 13.597,1236 10.597,1237 10.906,1238 0.312,1239 0.222,1240 11.404,1241 7.776,1242 8.501,1243 0.207,1244 0.137,1245 9.1,1246 5.62,1247 6.287,1248 0.134,1249 0.084,1250 6.812,1251 3.964,1252 4.527,1253 0.092,1254 0.051,1255 4.887,1256 2.517,1257 0.357,1258 86.964,1259 0.233,1260 26.987,1261 0.557,1262 126,1263 385.862,1264 157.211,1265 380.864,1266 491.01,1267 356,1268 139,1269 311.631,1270 165.781,1271 322.396,1272 462.14,1273 301,1274 4.886}
{0 CHEMBL278451,1 1.365,2 13,3 3.713,4 13.784,5 110.684,6 6.354,7 0.207,8 4.151,9 4.278,10 3.546,11 3.659,12 5.178,13 3.602,14 4.73,15 4.923,16 3.889,17 4.069,18 5.748,19 3.973,20 5.074,21 5.312,22 3.937,23 4.25,24 6.012,25 4.118,26 5.182,27 5.438,28 3.848,29 4.269,30 6.117,31 4.105,32 5.169,33 5.451,34 3.792,35 4.211,36 6.039,37 4.034,38 5.078,39 5.354,40 3.754,41 4.114,42 5.951,43 3.955,44 5.013,45 5.28,46 3.738,47 4.074,48 5.968,49 3.928,50 4.984,51 5.244,52 3.697,53 4.074,54 5.9,55 3.911,56 0.06,57 0.804,58 14.504,59 6.296,60 13.77,61 8.562,62 0.287,63 1.321,64 26.175,65 10.308,66 49.742,67 14.643,68 0.337,69 1.681,70 37.088,71 13.548,72 62.743,73 19.453,74 0.468,75 1.76,76 41.442,77 14.755,78 92.208,79 21.18,80 0.456,81 1.707,82 40.658,83 14.358,84 79.843,85 21.011,86 0.4,87 1.56,88 37.336,89 12.713,90 74.657,91 18.68,92 0.538,93 1.485,94 35.308,95 11.636,96 94.193,97 17.185,98 0.427,99 1.458,100 33.903,101 12.092,102 63.882,103 17.546,104 44,105 39,106 0.224,107 0.536,108 0.75,109 0.844,110 0.862,111 0.862,112 3.373,113 1.061,114 -4.24,115 -4.18,116 -3.95,118 37.7,119 2,120 7,122 1,124 1,125 2,129 2,133 5,134 1,145 2,150 1,153 1,154 15,155 1,157 1,158 6,160 1,162 3,164 16,165 1,167 4,170 5,171 17,172 1,175 4,179 3,180 15,181 1,184 5,187 1,189 4,192 11,193 1,196 6,200 3,202 11,206 4,207 1,208 1,210 1,211 11,214 1,215 6,217 1,219 1,222 12,226 3,227 1,230 1,233 10,234 3,236 1430,237 18.275,238 18.275,239 18.275,240 18.275,241 18.275,242 17.07,243 21.157,244 11.055,245 18.39,246 14.27,247 14.27,248 14.27,249 14.27,250 14.27,251 12.405,252 22.13,253 5.223,254 14.465,255 4.566,256 2.671,257 1.362,258 0.791,259 0.68,260 0.68,261 4.034,265 1,266 1,267 738,268 4.69,270 96.177,271 108.46,277 2.214,278 32.423,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 60.5,289 364,290 4.578,291 3.793,292 7.64,293 4.487,294 3.494,295 3.848,296 2.341,297 13.429,298 3.467,299 4.137,300 3.752,301 6.471,302 3.983,303 3.024,304 3.277,305 1.943,306 10.006,307 2.896,308 3.573,309 3.596,310 5.462,311 3.241,312 2.235,313 2.897,314 0.765,315 6.184,316 2.223,317 3.55,318 2.802,319 4.95,320 3.181,321 2.194,322 2.71,323 0.736,324 5.386,325 2.163,326 3.261,327 2.446,328 4.659,329 2.913,330 1.902,331 2.378,332 0.079,333 5.184,334 1.915,335 2.869,336 1.928,337 4.232,338 2.764,339 1.763,340 1.908,342 3.909,343 1.759,344 2.783,345 1.819,346 4.124,347 2.531,348 1.55,349 1.799,351 3.766,352 1.512,353 2.533,354 1.624,355 3.687,356 2.347,357 1.364,358 1.5,360 3.122,361 1.334,362 2.5,363 1.186,364 3.542,365 2.09,366 1.093,367 1.479,369 2.614,370 1.089,371 2.372,372 1.157,373 3.247,374 2,375 1,376 1.349,378 2.136,379 1,380 1.955,381 1.076,382 3.179,383 1.903,384 0.913,385 0.932,387 1.965,388 0.9,389 1.848,390 1,391 3.093,392 1.5,393 0.515,394 0.623,395 1.161,396 0.501,397 1.369,398 0.65,399 2.627,400 1.201,401 0.22,402 0.239,403 0.476,404 0.214,405 1.013,406 0.484,407 2.528,408 0.728,409 -0.283,410 -0.32,411 -0.627,412 -0.281,413 0.677,414 0.252,415 2.311,416 0.302,417 -0.723,418 -0.777,419 -1.608,420 -0.717,421 13.233,422 0.473,423 0.767,424 0.027,425 26.25,426 0.938,427 10,428 0.357,429 16.25,430 0.58,431 31.638,432 1.13,433 32.967,434 0.54,435 19.474,436 0.695,437 4.693,438 0.168,439 8.626,440 0.308,441 0.176,442 0.038,443 0.219,447 0.781,448 1.338,449 0.981,450 1.229,451 0.734,452 1.148,453 0.541,454 1.247,455 0.958,456 1.185,457 0.482,458 1.136,459 0.922,460 1.097,461 1.057,462 1.1,463 0.859,464 1.093,465 1.065,466 1.041,467 1.108,468 1.056,469 1.042,470 1.085,471 0.804,472 0.975,473 0.945,474 0.983,475 0.801,476 0.985,477 0.967,478 1.012,479 0.959,480 0.973,481 0.927,482 0.964,483 1.046,484 0.902,485 1.017,486 0.879,487 0.946,488 0.926,489 0.831,490 1.062,491 1.027,492 1.07,493 0.894,494 1.079,495 6,496 0.152,497 4,498 2.229,499 1.059,500 0.768,501 0.646,502 0.447,503 0.246,504 0.255,505 9866,506 25418,507 1.928,508 54.1,509 12,510 11,513 2,514 4,515 4,517 1.708,518 1.778,519 3.618,520 0.176,522 1,525 83.268,526 1.365,527 3.26,528 4.569,529 5.14,530 5.25,531 5.25,532 3.115,533 4.379,534 4.772,535 3.845,536 1453.29,537 8.289,538 20431.8,540 1,542 361.775,543 1.607,544 4.711,545 0.207,546 0.006,547 0.103,548 0.057,549 0.031,550 0.024,551 0.021,552 0.014,553 0.008,554 0.009,555 0.481,556 0.17,557 0.88,558 1.85,559 144.123,560 -0.054,561 -0.041,562 0.006,563 0.023,564 -0.066,565 0.02,566 0.153,567 -0.063,568 0.011,569 -0.057,570 0.133,571 -0.048,572 -0.073,573 -0.032,574 -0.083,575 -0.067,576 -0.042,577 -0.072,578 -0.113,579 -0.05,580 -0.131,581 -0.06,582 -0.103,583 -0.093,584 0.005,585 -0.014,586 0.009,587 -0.015,588 -0.025,589 -0.005,590 -0.049,591 -0.046,592 0.014,593 -0.013,594 -0.057,595 0.006,596 -0.034,597 0.096,598 -0.024,599 0.072,600 -0.006,601 0.034,602 0.026,603 -0.061,604 -0.061,605 -0.075,606 -0.026,607 -0.084,608 2.42,609 5.209,610 0.393,611 31.73,612 0.993,613 1.131,614 3.011,615 9.067,616 0.623,617 3.401,618 3.689,619 3.871,620 3.97,621 4.007,622 3.97,623 4.043,624 4.043,625 4.043,626 4.043,627 7.628,628 0.579,629 387.57,630 3.401,631 4.92,632 5.733,633 6.583,634 7.422,635 8.28,636 9.131,637 9.994,638 10.852,639 11.719,640 1.6,644 1,651 5,656 1,658 6,670 61,671 9,672 1,673 29,675 62,676 23,677 6,678 1,679 5,681 2,682 2,685 2,686 1,688 3,691 9,693 10,694 13,696 3,698 2,699 2,701 2,704 1,707 33,708 5,709 2,710 5,714 1,717 1,718 4,719 1,730 1,731 1,738 1,739 1,741 2,746 2,748 2,752 2,756 28,759 2,760 8,764 2,765 1,766 1,773 6.6,774 1,775 1,776 2,779 15.75,780 10.933,781 6.306,782 3.924,785 1.51,786 1.224,787 0.865,788 8.56,789 8.247,790 3.584,791 3.998,792 4.341,793 4.669,794 4.99,795 4.928,796 5.143,797 5.171,798 5.296,799 5.47,800 0.889,801 39,802 10.465,803 4.375,804 7.89,805 20.126,806 16.517,807 2.39,808 66.917,810 1,811 1,812 364.904,813 112.632,814 3.124,816 135.657,819 112.632,820 500.561,821 3.124,822 17.65,823 22.972,824 109.017,825 98.588,826 3.186,828 364.904,830 364.904,831 115.756,832 135.657,835 317.82,836 140.058,837 42.683,839 40.622,840 56.181,841 18.952,843 364.904,844 138.781,845 112.632,848 364.904,849 28.648,850 87.108,852 135.657,853 364.904,854 138.781,855 112.632,857 0.575,858 0.322,859 0.152,860 0.072,861 15,862 8,863 0.177,864 11,866 1,867 3.978,868 215.7,870 11,871 128.606,874 22.484,875 10.661,876 6.647,878 138.781,879 9.952,884 1.077,886 85.367,887 616.317,888 35,890 22.743,891 3.806,893 -0.589,895 60.549,896 68.979,897 0.23,898 0.55,899 0.77,900 0.867,901 0.885,902 0.885,903 4.824,904 1.364,905 5.74,906 3.766,907 4.369,908 4.682,909 2.888,910 6.567,911 4.34,912 5.987,913 1.093,914 7.33,915 3.122,916 4.111,917 4.388,918 2.619,919 7.867,920 4.057,921 7.273,922 1,923 9.055,924 2.614,925 6.019,926 6.603,927 4.048,928 10.922,929 5.955,930 8.6,931 0.913,932 10.87,933 2.136,934 6.648,935 7.105,936 4.42,937 13.117,938 6.56,939 9.967,940 0.515,941 12.745,942 1.965,943 8.082,944 8.855,945 5.497,946 15.813,947 7.986,948 11.364,949 0.22,950 14.662,951 1.161,952 9.082,953 9.722,954 6.119,955 18.277,956 8.969,957 12.783,958 -0.283,959 16.609,960 0.476,961 10.367,962 11.283,963 7.058,964 20.89,965 10.247,966 3.494,967 -0.723,968 18.576,969 -0.627,970 11.512,971 12.342,972 7.792,973 23.437,974 11.382,975 3.024,976 13.429,977 20.558,978 -1.608,979 12.755,980 13.81,981 8.673,982 26.031,983 12.619,984 2.235,985 10.006,986 22.551,987 3.848,988 13.954,989 14.978,990 9.462,991 28.607,992 13.812,993 2.194,994 6.184,995 24.552,996 3.277,997 15.188,998 16.396,999 10.319,1000 31.199,1001 15.04,1002 1.902,1003 5.386,1004 26.56,1005 2.897,1006 16.41,1007 17.63,1008 11.135,1009 33.787,1010 16.257,1011 1.763,1012 5.184,1013 28.572,1014 2.71,1015 17.645,1016 19.019,1017 11.983,1018 36.38,1019 17.487,1020 1.55,1021 3.909,1022 30.588,1023 2.378,1024 18.877,1025 20.294,1026 12.814,1027 38.973,1028 18.715,1029 10034,1030 16177,1031 18.375,1032 38.006,1033 43.278,1034 43.884,1035 44.019,1036 42.547,1037 42.535,1038 49.876,1039 11.727,1040 118.674,1041 41.943,1042 5.555,1043 5.793,1044 7.464,1045 5.496,1046 5.494,1047 6.848,1048 3.925,1049 21.249,1050 5.467,1051 17.123,1052 1.492,1053 1.513,1054 1.518,1055 1.467,1056 1.467,1057 1.72,1058 0.404,1059 4.092,1060 1.446,1061 3.994,1062 4.031,1063 3.916,1064 3.92,1065 7.474,1066 3.914,1067 3.894,1068 3.937,1069 3.81,1070 3.762,1071 7.427,1072 3.766,1073 3.745,1074 3.797,1075 3.611,1076 3.613,1077 6.45,1078 3.601,1079 3.621,1080 3.665,1081 3.512,1082 3.497,1083 6.351,1084 3.493,1085 3.499,1086 3.546,1087 3.361,1088 3.319,1089 4.757,1090 3.317,1091 3.31,1092 3.369,1093 3.164,1094 3.171,1095 4.399,1096 3.16,1097 3.171,1098 3.228,1099 2.994,1100 2.927,1101 4.155,1102 2.935,1103 2.897,1104 3.009,1105 2.748,1106 2.735,1107 4.094,1108 2.715,1109 0.158,1110 0.131,1111 0.263,1112 0.155,1113 0.12,1114 4.578,1115 0.133,1116 3.793,1117 0.081,1118 7.64,1119 0.463,1120 4.487,1121 0.12,1122 3.494,1123 3.848,1124 2.341,1125 13.429,1126 3.467,1127 1.959,1128 1.932,1129 2.089,1130 2.045,1131 1.377,1132 2.061,1133 1.787,1134 1.731,1135 2.021,1136 1.956,1137 1.316,1138 1.979,1139 1.714,1140 1.67,1141 1.904,1142 1.856,1143 1.201,1144 1.872,1145 1.561,1146 1.507,1147 1.804,1148 1.774,1149 1.086,1150 1.777,1151 1.551,1152 1.5,1153 1.787,1154 1.721,1155 0.937,1156 1.75,1157 1.384,1158 1.335,1159 1.626,1160 1.607,1161 0.816,1162 1.609,1163 1.171,1164 1.11,1165 1.453,1166 1.428,1167 0.647,1168 1.439,1169 0.978,1170 0.923,1171 1.417,1172 1.284,1173 0.469,1174 1.308,1175 4.078,1177 5.371,1178 2.398,1179 6.847,1180 4.727,1181 8.411,1182 6.783,1183 10.026,1185 4.04,1189 19.388,1190 5.609,1194 -0.601,1195 1.899,1196 -0.407,1199 35.309,1200 83.268,1201 198.865,1202 278.681,1203 313.51,1204 320.265,1205 320.265,1206 93.566,1207 6.737,1208 77.84,1209 77.84,1210 11,1211 12.267,1212 3.322,1213 2.807,1214 62.193,1215 125,1216 141,1217 0.236,1218 221.822,1219 401.16,1220 533.007,1221 7494,1223 20.571,1224 0.735,1225 0.608,1226 20.571,1227 17.011,1228 13.319,1229 0.459,1230 0.354,1231 10.165,1232 12.942,1233 9.861,1234 8.221,1235 13.319,1236 10.253,1237 11.999,1238 0.308,1239 0.209,1240 11.999,1241 8.169,1242 9.296,1243 0.198,1244 0.121,1245 9.296,1246 5.687,1247 6.62,1248 0.127,1249 0.071,1250 6.62,1251 3.671,1252 4.66,1253 0.086,1254 0.042,1255 4.66,1256 2.263,1257 0.381,1258 82.763,1259 0.233,1260 27.439,1261 0.617,1262 136,1263 369.416,1264 147.494,1265 353.303,1266 459.01,1267 326,1268 154,1269 312.745,1270 163.974,1271 316.233,1272 454.42,1273 297,1274 4.886}
{0 CHEMBL280223,1 1.381,2 13,3 3.341,4 11.163,5 108.882,6 6.535,7 0.2,8 4.137,9 4.258,10 3.569,11 3.666,12 5.149,13 3.615,14 4.706,15 4.89,16 3.871,17 4.055,18 5.724,19 3.959,20 5.037,21 5.281,22 3.921,23 4.203,24 5.944,25 4.079,26 5.076,27 5.317,28 3.83,29 4.208,30 6.012,31 4.059,32 5.094,33 5.366,34 3.78,35 4.158,36 5.974,37 3.995,38 5.02,39 5.287,40 3.745,41 4.074,42 5.903,43 3.927,44 4.961,45 5.221,46 3.728,47 4.043,48 5.922,49 3.904,50 4.918,51 5.173,52 3.683,53 4.024,54 5.826,55 3.873,56 0.055,57 0.79,58 13.875,59 6.163,60 12.633,61 8.252,62 0.269,63 1.298,64 25.156,65 10.074,66 47.866,67 14.153,68 0.344,69 1.618,70 35.778,71 12.97,72 60.419,73 18.505,74 0.406,75 1.638,76 37.348,77 13.612,78 79.766,79 19.21,80 0.436,81 1.623,82 38.103,83 13.541,84 74.642,85 19.567,86 0.386,87 1.506,88 35.543,89 12.193,90 71.254,91 17.668,92 0.515,93 1.435,94 33.7,95 11.367,96 91.852,97 16.463,98 0.415,99 1.391,100 31.957,101 11.442,102 58.783,103 16.414,104 24,105 41,106 0.228,107 0.531,108 0.725,109 0.856,110 0.875,111 0.875,112 3.374,113 1.046,114 -4.24,115 -4.18,116 -3.95,118 39,120 9,122 1,124 1,125 2,129 2,133 5,134 1,145 2,150 1,153 1,154 16,155 1,157 1,158 6,160 1,162 3,164 15,165 1,167 4,170 5,171 17,172 1,175 4,179 3,180 15,181 1,184 5,187 1,189 4,192 11,193 1,196 6,200 3,202 11,206 4,207 1,208 1,210 1,211 11,214 1,215 6,217 1,219 1,222 12,226 3,227 1,230 1,233 10,234 3,236 1428,237 18.827,238 18.827,239 18.827,240 18.827,241 18.827,242 17.622,243 21.157,244 11.326,245 18.942,246 14.755,247 14.755,248 14.755,249 14.755,250 14.755,251 12.897,252 22.13,253 5.32,254 14.949,255 4.502,256 2.661,257 1.486,258 0.691,259 0.576,260 0.576,261 4.043,265 1,266 1,267 766,268 4.359,269 57.053,270 95.189,271 106.865,277 2.214,278 32.849,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 60.5,289 364,290 4.743,291 3.907,292 7.995,293 4.678,294 3.684,295 3.955,296 2.341,297 15.178,298 3.662,299 4.137,300 3.788,301 6.471,302 3.983,303 3.024,304 3.277,305 1.943,306 10.006,307 2.896,308 3.603,309 3.596,310 5.47,311 3.241,312 2.236,313 2.979,314 0.765,315 6.237,316 2.223,317 3.55,318 2.805,319 4.967,320 3.195,321 2.205,322 2.71,323 0.736,324 5.459,325 2.183,326 3.305,327 2.449,328 4.749,329 2.957,330 1.953,331 2.419,332 0.079,333 5.184,334 1.955,335 2.88,336 2.023,337 4.659,338 2.764,339 1.763,340 1.908,342 4.507,343 1.759,344 2.783,345 1.888,346 4.14,347 2.622,348 1.645,349 1.806,351 3.842,352 1.594,353 2.663,354 1.628,355 3.701,356 2.347,357 1.364,358 1.673,360 3.124,361 1.334,362 2.5,363 1.325,364 3.687,365 2.278,366 1.278,367 1.5,369 2.874,370 1.277,371 2.408,372 1.158,373 3.324,374 2,375 1,376 1.395,378 2.136,379 1,380 2.011,381 1.135,382 3.247,383 1.904,384 0.914,385 0.933,387 1.967,388 0.901,389 1.952,390 1,391 3.153,392 1.586,393 0.592,394 0.75,395 1.351,396 0.583,397 1.381,398 0.656,399 3,400 1.238,401 0.247,402 0.264,403 0.537,404 0.243,405 1.055,406 0.505,407 2.875,408 0.895,409 -0.099,410 -0.108,411 -0.234,412 -0.098,413 0.982,414 0.252,415 2.619,416 0.699,417 -0.299,418 -0.339,419 -0.66,420 -0.294,421 13.233,422 0.473,423 0.645,424 0.023,425 26.75,426 0.955,427 10,428 0.357,429 16.75,430 0.598,431 29.833,432 1.065,433 32.367,434 0.549,435 18.891,436 0.675,437 4.693,438 0.168,439 8.834,440 0.315,441 0.101,442 0.038,443 0.219,447 0.769,448 1.274,449 0.936,450 1.166,451 0.702,452 1.089,453 0.546,454 1.298,455 1.009,456 1.243,457 0.482,458 1.2,459 0.924,460 0.994,461 0.982,462 0.993,463 0.873,464 0.988,465 1.06,466 1.073,467 1.129,468 1.087,469 1.037,470 1.115,471 0.844,472 0.97,473 0.957,474 0.978,475 0.83,476 0.984,477 1.001,478 1.01,479 0.971,480 0.969,481 0.954,482 0.964,483 1.041,484 0.906,485 1.011,486 0.884,487 0.963,488 0.928,489 0.862,490 1.036,491 1.021,492 1.042,493 0.939,494 1.056,495 5.5,496 0.138,497 3.222,498 2.368,499 0.954,500 0.608,501 0.564,502 0.344,503 0.259,504 0.239,505 10548,506 26576,507 2.025,508 52.5,509 10,510 11,513 2,514 4,515 4,517 1.708,518 1.898,519 3.619,520 0.176,522 1,525 81.454,526 1.381,527 3.221,528 4.397,529 5.192,530 5.306,531 5.306,532 3.115,533 4.379,534 4.772,535 3.846,536 1453.68,537 8.288,538 20421.1,540 1,541 1,542 347.076,543 1.486,544 4.731,545 0.183,546 0.006,547 0.085,548 0.061,549 0.028,550 0.019,551 0.018,552 0.011,553 0.009,554 0.009,555 0.429,556 0.17,557 0.88,558 1.775,559 144.112,560 -0.056,561 -0.013,562 0.018,563 0.05,564 -0.047,565 0.043,566 0.141,567 -0.132,568 -0.061,569 -0.136,570 0.126,571 -0.132,572 -0.065,573 0.04,574 -0.012,575 0.011,576 -0.05,577 0.011,578 -0.119,579 -0.069,580 -0.154,581 -0.082,582 -0.099,583 -0.118,584 -0.005,585 -0.006,586 0.005,587 -0.009,588 -0.026,589 -0.003,590 -0.061,591 -0.043,592 0.007,593 -0.01,594 -0.064,595 0.006,596 -0.03,597 0.084,598 -0.019,599 0.072,600 -0.005,601 0.036,602 0.022,603 -0.04,604 -0.052,605 -0.056,606 -0.045,607 -0.067,608 2.414,609 5.221,610 0.5,611 31.786,612 0.994,613 1.128,614 3.011,615 9.067,616 0.631,617 3.434,618 3.738,619 3.951,620 4.111,621 4.111,622 4.078,623 4.174,624 4.205,625 4.174,626 4.174,627 7.628,628 0.59,629 385.55,630 3.434,631 4.963,632 5.808,633 6.683,634 7.559,635 8.45,636 9.341,637 10.243,638 11.146,639 12.056,640 1.7,644 1,651 5,656 1,658 6,670 59,671 9,672 1,673 30,675 61,676 23,677 6,678 1,679 5,681 3,682 3,686 1,687 1,688 5,691 11,693 10,694 13,696 3,698 2,699 2,701 2,704 1,707 31,708 5,709 2,710 5,714 1,717 1,718 4,719 1,729 1,730 1,731 1,738 1,739 1,741 2,746 2,748 3,756 28,759 2,760 10,764 2,765 1,766 1,773 6.8,774 1,775 1,776 2,779 14.75,780 9.933,781 6.306,782 3.924,785 1.465,786 1.214,787 0.888,788 7.172,789 8.305,790 3.611,791 4.034,792 4.391,793 4.759,794 5.075,795 5.047,796 5.296,797 5.387,798 5.392,799 5.551,800 0.889,801 39,802 10.488,803 4.516,804 7.854,805 20.345,806 17.38,807 2.354,808 65.917,810 1,811 1,812 341.362,813 100.05,814 3.124,816 135.657,819 100.05,820 477.018,821 3.124,823 28.041,824 109.017,825 98.588,826 3.186,828 341.362,830 341.362,831 103.175,832 135.657,835 294.278,836 140.058,837 42.683,839 28.041,840 56.181,841 18.952,843 341.362,844 138.781,845 100.05,848 341.362,849 33.717,850 69.458,852 135.657,853 341.362,854 138.781,855 100.05,857 0.573,858 0.319,859 0.162,860 0.074,861 18,862 8,863 0.18,864 11,866 1,867 4.11,868 223.385,870 14,871 128.606,874 20.917,875 9.601,876 5.61,878 138.781,879 10.185,884 1.188,886 85.367,887 580.193,888 36,890 22.76,891 3.909,893 -0.568,895 58.665,896 66.564,897 0.235,898 0.548,899 0.747,900 0.883,901 0.902,902 0.902,903 4.864,904 1.364,905 5.808,906 3.842,907 4.419,908 4.718,909 2.888,910 6.681,911 4.391,912 6.034,913 1.278,914 7.419,915 3.124,916 4.205,917 4.46,918 2.619,919 8.167,920 4.156,921 7.338,922 1,923 9.17,924 2.874,925 6.129,926 6.666,927 4.048,928 11.264,929 6.072,930 8.686,931 0.914,932 11.018,933 2.136,934 6.825,935 7.221,936 4.42,937 13.659,938 6.752,939 10.08,940 0.592,941 12.933,942 1.967,943 8.287,944 8.958,945 5.497,946 16.443,947 8.208,948 11.505,949 0.247,950 14.895,951 1.351,952 9.359,953 9.887,954 6.119,955 19.077,956 9.272,957 12.957,958 -0.099,959 16.889,960 0.537,961 10.686,962 11.439,963 7.058,964 21.804,965 10.595,966 3.684,967 -0.299,968 18.907,969 -0.234,970 11.898,971 12.56,972 7.792,973 24.498,974 11.803,975 3.024,976 15.178,977 20.94,978 -0.66,979 13.192,980 14.026,981 8.673,982 27.216,983 13.094,984 2.236,985 10.006,986 22.985,987 3.955,988 14.455,989 15.252,990 9.462,991 29.928,992 14.355,993 2.205,994 6.237,995 25.038,996 3.277,997 15.745,998 16.675,999 10.319,1000 32.645,1001 15.642,1002 1.953,1003 5.459,1004 27.097,1005 2.979,1006 17.027,1007 17.961,1008 11.135,1009 35.362,1010 16.922,1011 1.763,1012 5.184,1013 29.161,1014 2.71,1015 18.319,1016 19.361,1017 11.983,1018 38.081,1019 18.211,1020 1.645,1021 4.507,1022 31.228,1023 2.419,1024 19.611,1025 20.683,1026 12.814,1027 40.8,1028 19.5,1029 10388,1030 16531,1031 19.761,1032 37.245,1033 44.633,1034 45.346,1035 46.342,1036 43.846,1037 43.81,1038 51.135,1039 11.727,1040 124.803,1041 43.221,1042 5.72,1043 5.907,1044 7.819,1045 5.69,1046 5.684,1047 6.955,1048 3.925,1049 23.006,1050 5.662,1051 14.279,1052 1.488,1053 1.512,1054 1.545,1055 1.462,1056 1.46,1057 1.704,1058 0.391,1059 4.16,1060 1.441,1061 4.062,1062 4.093,1063 3.988,1064 3.997,1065 7.474,1066 3.991,1067 3.906,1068 3.954,1069 3.818,1070 3.763,1071 7.427,1072 3.768,1073 3.748,1074 3.799,1075 3.619,1076 3.633,1077 6.45,1078 3.621,1079 3.7,1080 3.743,1081 3.592,1082 3.591,1083 6.351,1084 3.582,1085 3.506,1086 3.553,1087 3.369,1088 3.329,1089 4.761,1090 3.327,1091 3.381,1092 3.427,1093 3.26,1094 3.238,1095 4.401,1096 3.234,1097 3.171,1098 3.228,1099 2.994,1100 2.927,1101 4.184,1102 2.935,1103 2.916,1104 2.953,1105 2.78,1106 2.735,1107 4.11,1108 2.715,1109 0.158,1110 0.13,1111 0.266,1112 0.156,1113 0.123,1114 4.743,1115 0.132,1116 3.907,1117 0.078,1118 7.995,1119 0.506,1120 4.678,1121 0.122,1122 3.684,1123 3.955,1124 2.341,1125 15.178,1126 3.662,1127 1.912,1128 1.887,1129 2.032,1130 1.991,1131 1.376,1132 2.006,1133 1.787,1134 1.731,1135 2.019,1136 1.955,1137 1.25,1138 1.978,1139 1.704,1140 1.659,1141 1.898,1142 1.852,1143 1.171,1144 1.868,1145 1.554,1146 1.505,1147 1.787,1148 1.768,1149 1.086,1150 1.773,1151 1.463,1152 1.416,1153 1.692,1154 1.657,1155 0.901,1156 1.667,1157 1.298,1158 1.256,1159 1.513,1160 1.541,1161 0.825,1162 1.528,1163 1.153,1164 1.064,1165 1.508,1166 1.376,1167 0.768,1168 1.429,1169 1.076,1170 1.022,1171 1.356,1172 1.329,1173 0.597,1174 1.332,1175 4.111,1176 1.946,1177 5.416,1178 4.111,1179 6.923,1180 6.196,1181 8.532,1182 8.201,1183 10.204,1189 19.455,1190 7.689,1194 -0.462,1195 1.919,1196 -0.157,1199 34.783,1200 81.454,1201 190.056,1202 259.408,1203 306.321,1204 313.076,1205 313.076,1206 75.273,1207 6.839,1208 77.84,1209 77.84,1210 14,1211 12.574,1212 3.322,1213 2.807,1214 49.93,1215 125,1216 141,1217 0.189,1218 214.429,1219 388.8,1220 514.967,1221 8325,1223 19.985,1224 0.714,1225 0.587,1226 19.985,1227 16.425,1228 13.527,1229 0.451,1230 0.349,1231 10.373,1232 13.149,1233 10.189,1234 8.383,1235 13.527,1236 10.46,1237 11.91,1238 0.29,1239 0.198,1240 11.91,1241 8.103,1242 9.346,1243 0.183,1244 0.115,1245 9.346,1246 5.883,1247 7.267,1248 0.121,1249 0.068,1250 7.267,1251 4.101,1252 4.925,1253 0.082,1254 0.041,1255 4.925,1256 2.437,1257 0.305,1258 84.006,1259 0.225,1260 27.431,1261 0.493,1262 142,1263 375.416,1264 153.494,1265 358.065,1266 470.61,1267 332,1268 166,1269 324.745,1270 175.974,1271 326.042,1272 475.82,1273 309,1274 4.886}
{0 CHEMBL280247,1 1.504,2 13.786,3 2.985,4 8.908,5 110.81,6 6.729,7 0.367,8 4.115,9 4.256,10 3.585,11 3.608,12 5.152,13 3.568,14 4.677,15 4.874,16 3.873,17 4.001,18 5.638,19 3.917,20 4.966,21 5.229,22 3.775,23 4.101,24 5.813,25 3.961,26 4.966,27 5.233,28 3.709,29 4.065,30 5.831,31 3.914,32 4.961,33 5.236,34 3.711,35 4.025,36 5.837,37 3.879,38 4.931,39 5.204,40 3.679,41 3.986,42 5.804,43 3.848,44 4.888,45 5.159,46 3.621,47 3.941,48 5.836,49 3.795,50 4.815,51 5.091,52 3.586,53 3.896,54 5.677,55 3.755,56 0.12,57 0.852,58 13.291,59 5.388,60 13.813,61 7.527,62 0.245,63 1.327,64 24.118,65 8.855,66 25.956,67 12.98,68 0.326,69 1.485,70 33.369,71 11.31,72 46.038,73 16.975,74 0.338,75 1.446,76 33.513,77 11.198,78 54.576,79 16.844,80 0.406,81 1.404,82 33.665,83 10.827,84 55.7,85 16.44,86 0.379,87 1.357,88 32.771,89 10.244,90 53.328,91 15.588,92 0.471,93 1.298,94 31.469,95 9.859,96 74.446,97 15.016,98 0.39,99 1.238,100 29.135,101 9.332,102 48.994,103 14.097,104 5,105 38,106 0.248,107 0.569,108 0.752,109 0.868,110 0.888,111 0.888,112 3.373,113 1.014,114 -4.63,115 -4.55,116 -4.28,118 36.8,120 8,124 1,125 2,129 2,133 5,134 1,139 1,145 1,149 1,152 2,154 13,157 3,158 7,160 1,162 2,164 13,167 6,170 3,171 11,175 6,179 3,180 9,184 7,187 1,189 4,192 9,196 6,200 3,202 9,206 5,208 1,210 2,211 9,214 2,215 4,219 1,222 10,225 1,226 3,228 1,230 1,233 8,236 1544,237 19.242,238 19.242,239 19.242,240 19.242,241 19.242,242 17.585,243 19.228,244 12.021,245 19.44,246 14.854,247 14.854,248 14.854,249 14.854,250 14.854,251 12.382,252 18.609,253 5.78,254 15.18,255 4.329,256 2.387,257 1.282,258 0.575,259 0.456,260 0.456,261 4.058,265 1,266 1,267 820,268 3.808,270 188.102,271 107.741,277 2.515,278 23.863,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 60.5,289 386,290 4.141,291 3.789,292 6.471,293 3.986,294 3.027,295 3.479,296 1.943,297 10.007,298 2.899,299 3.931,300 2.995,301 5.485,302 3.609,303 2.622,304 3.458,305 0.765,306 7.394,307 2.589,308 3.92,309 2.764,310 5.352,311 3.494,312 2.542,313 3.277,314 0.736,315 6.997,316 2.418,317 3.469,318 2.734,319 4.988,320 3.142,321 2.165,322 2.611,323 0.079,324 5.713,325 2.109,326 3.063,327 2.435,328 4.761,329 2.821,330 1.824,331 2.148,333 5.134,334 1.812,335 2.871,336 1.899,337 4.139,338 2.805,339 1.799,340 1.917,342 3.875,343 1.802,344 2.816,345 1.641,346 3.775,347 2.46,348 1.47,349 1.872,351 3.318,352 1.453,353 2.66,354 1.522,355 3.585,356 2.403,357 1.408,358 1.689,360 3.021,361 1.4,362 2.5,363 1.355,364 3.469,365 2.192,366 1.208,367 1.5,369 2.674,370 1.187,371 2.389,372 1.151,373 3.247,374 2,375 1,376 1.364,378 2.136,379 1,380 2.136,381 1,382 3.165,383 1.844,384 0.859,385 0.927,387 1.879,388 0.844,389 2.118,390 0.892,391 3.089,392 1.636,393 0.639,394 0.919,395 1.467,396 0.633,397 1.929,398 0.618,399 3,400 1.591,401 0.618,402 0.847,403 1.372,404 0.6,405 1.38,406 0.546,407 2.672,408 1.231,409 0.247,410 0.268,411 0.55,412 0.243,413 1.067,414 0.229,415 2.483,416 0.846,417 -0.152,418 -0.174,419 -0.367,420 -0.151,421 13.167,422 0.47,423 0.452,424 0.016,425 29.25,426 1.045,427 12.5,428 0.446,429 16.75,430 0.598,431 27.263,432 0.974,433 31.833,434 0.558,435 19.354,436 0.691,437 5.491,438 0.196,439 8.23,440 0.294,441 0.051,443 0.22,447 0.68,448 1.196,449 0.894,450 1.174,451 0.673,452 1.086,453 0.673,454 1.24,455 1.014,456 1.264,457 0.632,458 1.201,459 0.968,460 0.97,461 1.018,462 1.047,463 0.985,464 1.044,465 1.015,466 0.993,467 1.047,468 1.077,469 1.111,470 1.073,471 1.026,472 0.927,473 0.983,474 0.991,475 1.08,476 0.988,477 1.205,478 0.923,479 1.028,480 0.978,481 1.239,482 0.982,483 1.12,484 0.944,485 1.04,486 0.981,487 1.186,488 1.004,489 1.073,490 0.824,491 0.991,492 0.904,493 1.237,494 0.938,495 4,496 0.112,497 2.222,498 1.451,499 0.846,500 0.445,501 0.445,502 0.219,503 0.179,504 0.19,505 11870,506 30030,507 2.076,508 50.9,509 6,510 11,513 2,514 4,515 6,517 1.705,518 2,519 3.716,520 0.247,521 1,522 1,525 85.745,526 1.504,527 3.446,528 4.551,529 5.258,530 5.377,531 5.377,532 3.213,533 4.522,534 4.775,535 3.957,536 1495.68,537 8.276,538 21914.6,540 1,541 1,542 332.475,543 1.095,544 4.765,545 0.133,546 0.004,547 0.058,548 0.044,549 0.028,550 0.015,551 0.015,552 0.008,553 0.007,554 0.007,555 0.32,556 0.17,557 0.88,558 0.444,559 146.16,560 0.12,561 0.123,562 0.047,563 0.02,564 0.016,565 0.013,566 0.119,567 -0.067,568 -0.067,569 -0.159,570 0.049,571 -0.148,572 -0.083,573 0.003,574 -0.056,575 -0.025,576 -0.064,577 -0.033,578 -0.089,579 -0.043,580 -0.08,581 -0.065,582 -0.066,583 -0.07,584 -0.026,586 -0.004,587 -0.004,588 -0.025,590 -0.117,591 0.006,592 -0.037,593 -0.002,594 -0.098,595 -0.004,596 -0.016,597 -0.021,598 -0.048,599 -0.002,600 0.029,601 -0.025,602 -0.06,603 0.116,604 -0.007,605 0.075,606 -0.109,607 0.043,608 1.856,609 5.198,610 0.571,611 35.031,612 0.996,613 1.138,614 3.403,615 11.578,616 0.633,617 3.434,618 3.664,619 3.85,620 4.025,621 4.007,622 3.932,623 3.97,624 4.007,625 4.007,626 4.111,627 8.235,628 0.594,629 383.55,630 3.434,631 4.92,632 5.72,633 6.544,634 7.358,635 8.187,636 9.008,637 9.841,638 10.666,639 11.501,640 8.8,644 1,645 1,647 3,651 5,652 3,653 1,656 2,658 11,670 57,671 13,672 1,673 30,675 59,676 21,677 7,678 1,679 5,681 3,682 3,688 3,691 10,693 10,694 11,696 2,698 1,699 2,701 1,704 1,707 29,708 6,709 2,710 7,714 5,717 1,718 2,719 1,730 2,731 1,738 1,741 2,746 1,748 3,756 28,759 1,760 9,764 2,765 1,773 3.5,774 1,776 1,779 14,780 9.667,781 6.389,782 3.718,785 2.007,786 1.288,787 0.916,788 8.042,789 8.975,790 3.651,791 4.073,792 4.479,793 4.869,794 5.016,795 4.877,796 5.013,797 5.179,798 5.303,799 5.542,800 1,801 33,802 10.397,803 4.304,804 7.702,805 20.212,806 16.474,807 2.202,808 61.667,811 1,812 317.82,813 98.934,814 69.531,816 67.828,819 98.934,820 385.648,821 69.531,823 25.506,824 109.017,825 79.716,826 22.054,828 317.82,830 317.82,831 168.465,832 67.828,835 249.521,836 95.772,837 42.683,839 42.047,840 55.271,841 68.819,843 317.82,844 137.36,845 98.934,848 317.82,849 32.6,850 69.458,851 16.54,852 117.695,853 317.82,854 137.36,855 98.934,857 0.557,858 0.313,859 0.167,860 0.077,861 15,862 6,863 0.186,864 11,866 1,867 4.298,868 212.514,870 16,871 130.606,874 20.537,875 10.965,876 6.735,878 120.819,879 9.956,880 11.435,881 2.482,884 1.869,886 59.224,887 554.113,888 37.5,890 12.198,891 3.85,893 0.221,895 56.767,896 64.893,897 0.258,898 0.591,899 0.78,900 0.901,901 0.922,902 0.922,903 4.842,904 1.408,905 5.638,906 3.318,907 4.344,908 4.758,909 2.241,910 6.326,911 4.299,912 5.956,913 1.208,914 7.114,915 3.021,916 3.611,917 4.06,918 1.668,919 6.986,920 3.494,921 7.184,922 1,923 8.692,924 2.674,925 5.808,926 6.671,927 3.026,928 10.069,929 5.702,930 8.446,931 0.859,932 10.337,933 2.136,934 5.994,935 6.868,936 3.138,937 11.687,938 5.799,939 9.742,940 0.639,941 12.029,942 1.879,943 7.553,944 8.848,945 4.15,946 14.233,947 7.37,948 11.062,949 0.618,950 13.756,951 1.467,952 8.188,953 9.472,954 4.549,955 16.249,956 7.919,957 12.4,958 0.247,959 15.508,960 1.372,961 9.473,962 11.157,963 5.395,964 18.625,965 9.203,966 3.027,967 -0.152,968 17.281,969 0.55,970 10.335,971 12.007,972 5.925,973 20.807,974 9.989,975 2.622,976 10.007,977 19.069,978 -0.367,979 11.5,980 13.534,981 6.684,982 23.13,983 11.139,984 2.542,985 7.394,986 20.871,987 3.479,988 12.476,989 14.513,990 7.279,991 25.381,992 12.049,993 2.165,994 6.997,995 22.684,996 3.458,997 13.592,998 15.946,999 7.993,1000 27.687,1001 13.138,1002 1.824,1003 5.713,1004 24.506,1005 3.277,1006 14.625,1007 17.006,1008 8.621,1009 29.967,1010 14.114,1011 1.799,1012 5.134,1013 26.335,1014 2.611,1015 15.722,1016 18.38,1017 9.312,1018 32.27,1019 15.177,1020 1.47,1021 3.875,1022 28.17,1023 2.148,1024 16.785,1025 19.491,1026 9.957,1027 34.563,1028 16.188,1029 11368,1030 18226,1031 20.455,1032 36.074,1033 43.651,1034 43.344,1035 43.464,1036 42.898,1037 42.853,1038 52.55,1039 7.045,1040 111.073,1041 41.978,1042 5.121,1043 5.789,1044 6.299,1045 5.01,1046 5.027,1047 6.479,1048 3.352,1049 16.517,1050 4.899,1051 9.714,1052 1.455,1053 1.445,1054 1.449,1055 1.43,1056 1.428,1057 1.752,1058 0.235,1059 3.702,1060 1.399,1061 3.97,1062 4.017,1063 3.886,1064 3.881,1065 7.427,1066 3.875,1067 3.887,1068 3.939,1069 3.809,1070 3.763,1071 6.451,1072 3.767,1073 3.846,1074 3.918,1075 3.79,1076 3.639,1077 5.257,1078 3.645,1079 3.648,1080 3.723,1081 3.504,1082 3.446,1083 4.748,1084 3.46,1085 3.548,1086 3.591,1087 3.434,1088 3.382,1089 4.393,1090 3.391,1091 3.325,1092 3.415,1093 3.135,1094 3.098,1095 4.138,1096 3.106,1097 3.131,1098 3.185,1099 2.997,1100 2.993,1101 3.95,1102 2.982,1103 2.955,1104 3.061,1105 2.736,1106 2.735,1107 3.785,1108 2.715,1109 0.138,1110 0.126,1111 0.216,1112 0.133,1113 0.101,1114 4.141,1115 0.116,1116 3.789,1117 0.065,1118 6.471,1119 0.334,1120 3.986,1121 0.097,1122 3.027,1123 3.479,1124 1.943,1125 10.007,1126 2.899,1127 1.926,1128 1.897,1129 2.059,1130 2.014,1131 1.379,1132 2.031,1133 1.788,1134 1.73,1135 2.021,1136 1.954,1137 1.257,1138 1.978,1139 1.707,1140 1.66,1141 1.9,1142 1.851,1143 1.179,1144 1.869,1145 1.559,1146 1.503,1147 1.789,1148 1.767,1149 1.095,1150 1.773,1151 1.476,1152 1.422,1153 1.717,1154 1.67,1155 0.905,1156 1.684,1157 1.321,1158 1.263,1159 1.54,1160 1.617,1161 0.781,1162 1.562,1163 1.116,1164 1.03,1165 1.391,1166 1.541,1167 0.611,1168 1.505,1169 1.056,1170 0.924,1171 1.242,1172 1.325,1173 0.358,1174 1.341,1175 4.111,1177 5.361,1178 3.045,1179 6.777,1180 5.283,1181 8.269,1182 7.248,1183 9.806,1189 10.26,1190 7.846,1194 -0.414,1195 1.963,1199 33.858,1200 85.745,1201 196.411,1202 259.381,1203 299.72,1204 306.475,1205 306.475,1206 58.813,1207 6.969,1208 95,1209 95,1210 16,1211 12.073,1212 3.807,1213 3.087,1214 50,1215 134,1216 130,1217 0.17,1218 211.502,1219 367.08,1220 507.824,1221 11442,1223 19.606,1224 0.7,1225 0.579,1226 19.606,1227 16.204,1228 13.72,1229 0.457,1230 0.338,1231 10.027,1232 13.21,1233 9.868,1234 8.184,1235 13.72,1236 10.143,1237 11.543,1238 0.304,1239 0.193,1240 11.543,1241 7.327,1242 9.194,1243 0.2,1244 0.112,1245 9.194,1246 5.156,1247 7.322,1248 0.133,1249 0.066,1250 7.322,1251 3.634,1252 4.953,1253 0.092,1254 0.042,1255 4.953,1256 2.269,1257 0.28,1258 85.922,1259 0.221,1260 27.926,1261 0.432,1262 136,1263 378.799,1264 149.449,1265 366.107,1266 491.86,1267 342,1268 152,1269 357.372,1270 165.313,1271 356.314,1272 507.47,1273 336,1274 4.886}
{0 CHEMBL280442,1 1.381,2 13.667,3 3.576,4 12.787,5 106.415,6 6.44,7 0.214,8 4.104,9 4.229,10 3.511,11 3.613,12 5.131,13 3.56,14 4.678,15 4.867,16 3.807,17 4.001,18 5.716,19 3.9,20 5.014,21 5.273,22 3.762,23 4.121,24 5.903,25 3.973,26 4.998,27 5.26,28 3.659,29 4.075,30 5.882,31 3.91,32 4.974,33 5.248,34 3.681,35 4.029,36 5.855,37 3.872,38 4.946,39 5.207,40 3.688,41 3.995,42 5.883,43 3.858,44 4.927,45 5.189,46 3.607,47 3.954,48 5.937,49 3.803,50 4.842,51 5.113,52 3.507,53 3.884,54 5.747,55 3.72,56 0.055,57 0.765,58 13.67,59 5.95,60 12.507,61 8.05,62 0.269,63 1.249,64 24.732,65 9.676,66 45.947,67 13.749,68 0.381,69 1.525,70 35.096,71 12.256,72 66.572,73 17.822,74 0.382,75 1.463,76 34.495,77 12.188,78 72.242,79 17.606,80 0.387,81 1.415,82 33.675,83 11.721,84 65.341,85 17.121,86 0.385,87 1.367,88 33.076,89 11.049,90 69.888,91 16.027,92 0.513,93 1.32,94 32.618,95 10.769,96 94.332,97 15.631,98 0.456,99 1.218,100 29.746,101 10.2,102 69.122,103 14.797,104 24,105 35,106 0.229,107 0.527,108 0.735,109 0.873,110 0.893,111 0.893,112 3.338,113 1.069,114 -4.03,115 -3.98,116 -3.77,118 37.9,120 9,124 1,125 2,129 2,133 5,134 1,145 2,150 1,153 1,154 14,155 1,157 1,158 6,160 1,162 3,164 14,165 1,167 4,170 3,171 13,172 1,175 4,179 2,180 10,181 1,184 5,187 1,189 4,192 9,193 1,196 4,200 4,202 10,206 3,207 1,208 1,210 2,211 10,214 1,215 4,217 1,219 1,222 10,226 3,227 1,230 1,233 8,234 3,236 1410,237 18.087,238 18.087,239 18.087,240 18.087,241 18.087,242 16.844,243 20.079,244 11.322,245 18.213,246 13.837,247 13.837,248 13.837,249 13.837,250 13.837,251 11.912,252 20.317,253 5.446,254 14.049,255 4.477,256 2.683,257 1.429,258 0.599,259 0.483,260 0.483,261 4.006,265 1,266 1,267 751,268 4.243,270 92.789,271 106.683,277 2.469,278 31.128,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 58.5,289 369,290 4.141,291 3.789,292 6.471,293 3.986,294 3.027,295 3.446,296 2.341,297 10.007,298 2.899,299 3.903,300 3.596,301 5.364,302 3.551,303 2.557,304 3.278,305 1.943,306 7.027,307 2.543,308 3.55,309 2.916,310 5.059,311 3.267,312 2.298,313 2.71,314 0.765,315 6.067,316 2.224,317 3.517,318 2.747,319 4.869,320 3.241,321 2.235,322 2.632,323 0.736,324 5.264,325 2.216,326 3.072,327 2.606,328 4.659,329 2.843,330 1.835,331 2.14,332 0.079,333 5.184,334 1.839,335 2.901,336 1.908,337 4.139,338 2.764,339 1.763,340 2.006,342 3.85,343 1.758,344 2.805,345 1.64,346 3.688,347 2.488,348 1.49,349 1.803,351 3.148,352 1.486,353 2.5,354 1.585,355 3.633,356 2.35,357 1.367,358 1.5,360 3.117,361 1.337,362 2.45,363 1.164,364 3.248,365 2,366 1,367 1.415,369 2.136,370 1,371 2.216,372 1.154,373 3.247,374 1.906,375 0.915,376 1.011,378 1.975,379 0.903,380 1.954,381 1,382 3.149,383 1.792,384 0.789,385 0.927,387 1.806,388 0.79,389 1.608,390 0.755,391 2.805,392 1.416,393 0.427,394 0.48,395 0.941,396 0.418,397 1.369,398 0.633,399 2.546,400 1.198,401 0.216,402 0.236,403 0.467,404 0.211,405 1.018,406 0.467,407 2.16,408 0.744,409 -0.272,410 -0.308,411 -0.607,412 -0.272,413 0.71,414 0.252,415 2,416 0.386,417 -0.598,418 -0.703,419 -1.324,420 -0.583,421 12.733,422 0.472,423 0.527,424 0.02,425 25.75,426 0.954,427 10,428 0.37,429 15.75,430 0.583,431 27.583,432 1.022,433 31.667,434 0.546,435 17.948,436 0.665,437 4.743,438 0.176,439 8.315,440 0.308,441 0.105,443 0.228,447 0.781,448 1.33,449 0.965,450 1.217,451 0.713,452 1.134,453 0.552,454 1.348,455 1.035,456 1.29,457 0.482,458 1.241,459 0.954,460 0.997,461 1.037,462 1,463 0.899,464 1.021,465 0.97,466 1.028,467 1.062,468 1.037,469 0.979,470 1.061,471 0.821,472 0.969,473 0.918,474 0.967,475 0.816,476 0.959,477 1.115,478 0.984,479 1.013,480 0.975,481 1.042,482 0.973,483 1.113,484 0.959,485 1.059,486 0.958,487 1.055,488 0.992,489 0.953,490 0.918,491 0.985,492 0.918,493 1.064,494 0.957,495 4.5,496 0.138,497 2.444,498 1.229,499 0.881,500 0.615,501 0.412,502 0.247,503 0.187,504 0.229,505 9799,506 25625,507 1.975,508 53.4,509 8,510 11,513 2,514 4,515 6,517 1.696,518 1.862,519 3.699,520 0.194,522 1,525 80.075,526 1.381,527 3.175,528 4.429,529 5.259,530 5.375,531 5.375,532 3.254,533 4.459,534 4.719,535 3.928,536 1378.66,537 8.173,538 19663.7,540 1,541 1,542 339.763,543 1.311,544 4.691,545 0.161,546 0.005,547 0.07,548 0.038,549 0.031,550 0.021,551 0.014,552 0.009,553 0.008,554 0.009,555 0.367,556 0.33,557 0.88,558 1.817,559 139.283,560 -0.057,561 -0.043,562 0.005,563 0.024,564 -0.049,565 0.021,566 0.143,567 -0.168,568 -0.078,569 -0.17,570 0.13,571 -0.162,572 -0.088,573 0.018,574 -0.068,575 -0.014,576 -0.071,577 -0.032,578 -0.089,579 -0.046,580 -0.097,581 -0.051,582 -0.09,583 -0.072,584 0.014,586 0.041,587 0.001,588 -0.007,589 0.022,590 -0.088,591 -0.006,592 -0.022,593 -0.014,594 -0.07,595 -0.007,596 -0.033,597 0.004,598 -0.063,599 -0.006,600 -0.01,601 -0.034,602 0.005,603 0.034,604 -0.009,605 0.042,606 -0.079,607 0.012,608 2.416,609 5.101,610 0.407,611 34.263,612 0.994,613 1.13,614 2.796,615 7.819,616 0.625,617 3.367,618 3.584,619 3.714,620 3.85,621 3.912,622 3.829,623 3.85,624 3.871,625 3.892,626 3.932,627 8.049,628 0.582,629 373.54,630 3.367,631 4.844,632 5.624,633 6.438,634 7.239,635 8.061,636 8.874,637 9.701,638 10.523,639 11.355,640 1.7,644 1,651 5,656 1,658 6,670 58,671 9,672 1,673 28,675 59,676 22,677 6,678 1,679 5,681 2,682 2,688 3,691 11,693 10,694 12,696 3,698 2,699 2,701 2,704 1,707 31,708 5,709 2,710 5,714 1,717 1,718 4,719 1,730 1,731 1,738 1,739 1,741 2,746 2,748 2,756 27,759 2,760 10,764 2,765 1,773 6.9,774 1,775 1,776 2,779 14.5,780 9.683,781 6.222,782 3.819,785 1.537,786 1.23,787 0.878,788 9.404,789 8.217,790 3.555,791 3.922,792 4.216,793 4.529,794 4.844,795 4.655,796 4.761,797 4.882,798 5.044,799 5.234,800 1,801 32,802 10.079,803 4.16,804 7.895,805 19.45,806 15.791,807 2.395,808 64.667,810 1,811 1,812 341.362,813 100.05,814 3.124,816 135.657,819 100.05,820 477.018,821 3.124,823 28.041,824 109.017,825 98.588,826 3.186,828 341.362,830 341.362,831 103.175,832 135.657,835 270.735,836 163.6,837 42.683,839 28.041,840 56.181,841 18.952,843 341.362,844 138.781,845 100.05,848 341.362,849 33.717,850 69.458,852 135.657,853 341.362,854 138.781,855 100.05,857 0.556,858 0.296,859 0.148,860 0.076,861 12,862 6,863 0.203,864 12,866 1,867 4.093,868 194.827,870 11,871 124.382,874 21.494,875 11.813,876 8.17,878 138.781,879 10.106,884 1.213,886 85.367,887 580.193,888 34,890 22.601,891 3.803,893 -0.574,895 57.665,896 65.564,897 0.236,898 0.542,899 0.756,900 0.898,901 0.918,902 0.918,903 4.749,904 1.367,905 5.549,906 3.148,907 4.263,908 4.605,909 2.888,910 6.221,911 4.23,912 5.856,913 1,914 7.022,915 3.117,916 3.611,917 4.034,918 2.619,919 6.899,920 3.521,921 7.08,922 0.915,923 8.598,924 2.136,925 5.714,926 6.432,927 4.048,928 9.948,929 5.632,930 8.333,931 0.789,932 10.24,933 1.975,934 5.916,935 6.637,936 4.42,937 11.585,938 5.756,939 9.619,940 0.427,941 11.93,942 1.806,943 7.447,944 8.535,945 5.497,946 14.133,947 7.296,948 10.927,949 0.216,950 13.655,951 0.941,952 8.082,953 9.103,954 6.119,955 16.172,956 7.847,957 12.252,958 -0.272,959 15.409,960 0.467,961 9.361,962 10.78,963 7.058,964 18.557,965 9.123,966 3.027,967 -0.598,968 17.184,969 -0.607,970 10.223,971 11.546,972 7.792,973 20.757,974 9.907,975 2.557,976 10.007,977 18.977,978 -1.324,979 11.391,980 13.102,981 8.673,982 23.088,983 11.057,984 2.298,985 7.027,986 20.785,987 3.446,988 12.371,989 13.989,990 9.462,991 25.351,992 11.968,993 2.235,994 6.067,995 22.605,996 3.278,997 13.492,998 15.466,999 10.319,1000 27.664,1001 13.059,1002 1.835,1003 5.264,1004 24.434,1005 2.71,1006 14.532,1007 16.436,1008 11.135,1009 29.95,1010 14.038,1011 1.763,1012 5.184,1013 26.27,1014 2.632,1015 15.637,1016 17.856,1017 11.983,1018 32.257,1019 15.105,1020 1.49,1021 3.85,1022 28.113,1023 2.14,1024 16.707,1025 18.885,1026 12.814,1027 34.553,1028 16.119,1029 9863,1030 16024,1031 18.375,1032 36.245,1033 40.394,1034 40.799,1035 40.751,1036 39.878,1037 39.837,1038 47.166,1039 11.727,1040 101.975,1041 39.245,1042 5.117,1043 5.789,1044 6.295,1045 4.995,1046 5.027,1047 6.446,1048 3.925,1049 16.516,1050 4.899,1051 14.073,1052 1.443,1053 1.457,1054 1.455,1055 1.424,1056 1.423,1057 1.685,1058 0.419,1059 3.642,1060 1.402,1061 3.964,1062 4.008,1063 3.876,1064 3.879,1065 7.474,1066 3.871,1067 3.893,1068 3.933,1069 3.811,1070 3.772,1071 7.427,1072 3.775,1073 3.746,1074 3.798,1075 3.611,1076 3.614,1077 6.451,1078 3.601,1079 3.621,1080 3.664,1081 3.507,1082 3.475,1083 6.351,1084 3.475,1085 3.496,1086 3.543,1087 3.359,1088 3.315,1089 4.751,1090 3.313,1091 3.249,1092 3.307,1093 3.103,1094 3.12,1095 4.397,1096 3.107,1097 3.171,1098 3.228,1099 2.994,1100 2.927,1101 4.133,1102 2.935,1103 2.936,1104 2.981,1105 2.802,1106 2.739,1107 3.961,1108 2.741,1109 0.148,1110 0.135,1111 0.231,1112 0.142,1113 0.108,1114 4.141,1115 0.123,1116 3.789,1117 0.084,1118 6.471,1119 0.357,1120 3.986,1121 0.104,1122 3.027,1123 3.446,1124 2.341,1125 10.007,1126 2.899,1127 1.928,1128 1.897,1129 2.069,1130 2.017,1131 1.377,1132 2.036,1133 1.791,1134 1.736,1135 2.022,1136 1.958,1137 1.296,1138 1.98,1139 1.726,1140 1.681,1141 1.919,1142 1.872,1143 1.204,1144 1.889,1145 1.555,1146 1.505,1147 1.788,1148 1.775,1149 1.086,1150 1.776,1151 1.525,1152 1.469,1153 1.776,1154 1.707,1155 0.987,1156 1.731,1157 1.359,1158 1.311,1159 1.592,1160 1.59,1161 0.81,1162 1.586,1163 1.156,1164 1.096,1165 1.437,1166 1.389,1167 0.642,1168 1.407,1169 0.99,1170 0.938,1171 1.275,1172 1.273,1173 0.48,1174 1.272,1175 4.043,1177 5.283,1178 2.398,1179 6.686,1180 4.727,1181 8.165,1182 6.783,1183 9.691,1189 18.841,1190 7.206,1194 -0.429,1195 1.9,1199 33.783,1200 80.075,1201 184.13,1202 256.869,1203 305.008,1204 311.763,1205 311.763,1206 81.566,1207 6.68,1208 77.84,1209 77.84,1210 11,1211 11.93,1212 3.322,1213 2.807,1214 58.732,1215 126,1216 132,1217 0.215,1218 212.23,1219 383.86,1220 509.601,1221 7485,1223 19.485,1224 0.722,1225 0.59,1226 19.485,1227 15.925,1228 13.059,1229 0.466,1230 0.356,1231 9.889,1232 12.675,1233 9.715,1234 8.048,1235 13.059,1236 9.976,1237 11.128,1238 0.318,1239 0.207,1240 11.128,1241 7.228,1242 8.221,1243 0.206,1244 0.126,1245 8.221,1246 5.041,1247 6.174,1248 0.134,1249 0.075,1250 6.174,1251 3.47,1252 4.561,1253 0.093,1254 0.046,1255 4.561,1256 2.239,1257 0.354,1258 81.198,1259 0.233,1260 27.047,1261 0.55,1262 126,1263 359.416,1264 137.494,1265 341.616,1266 440.49,1267 316,1268 138,1269 294.745,1270 147.31,1271 295.157,1272 421.34,1273 279,1274 4.886}
{0 CHEMBL285412,1 1.236,2 12.741,3 4.305,4 18.537,5 107.26,6 5.603,8 4.255,9 4.392,10 3.506,11 3.7,12 5.186,13 3.62,14 4.879,15 5.089,16 3.851,17 4.146,18 5.764,19 4.016,20 5.285,21 5.544,22 3.933,23 4.355,24 6.109,25 4.183,26 5.441,27 5.732,28 3.862,29 4.39,30 6.268,31 4.184,32 5.404,33 5.711,34 3.804,35 4.343,36 6.135,37 4.129,38 5.34,39 5.635,40 3.836,41 4.292,42 6.169,43 4.097,44 5.313,45 5.603,46 3.827,47 4.268,48 6.181,49 4.082,50 5.28,51 5.563,52 3.691,53 4.229,54 6.106,55 4.025,56 0.107,57 0.862,58 17.646,59 7.399,60 17.7,61 10.237,62 0.283,63 1.41,64 31.085,65 12.238,66 48.084,67 17.476,68 0.426,69 1.806,70 44.568,71 15.647,72 67.902,73 23.119,74 0.735,75 1.914,76 50.438,77 16.658,78 110.314,79 25.07,80 0.559,81 1.831,82 47.691,83 16.001,84 81.629,85 24.172,86 0.621,87 1.731,88 45.53,89 15.055,90 97.583,91 22.684,92 0.666,93 1.682,94 44.722,95 14.567,96 104.578,97 21.903,98 0.544,99 1.628,100 43.223,101 14.104,102 84.335,103 21.269,104 93,105 36,106 0.202,107 0.378,108 0.616,109 0.8,110 0.854,111 0.873,112 3.339,113 1.216,114 -4.08,115 -4.03,116 -3.82,118 31.9,119 3,120 12,121 2,122 1,125 3,145 1,150 1,153 1,154 15,155 1,158 1,160 1,162 7,164 17,165 1,167 1,170 9,171 17,172 1,175 1,178 1,179 7,180 16,181 1,184 1,189 6,192 14,193 1,196 1,199 1,200 7,202 13,203 1,206 1,209 1,210 8,211 14,212 1,215 1,219 8,222 11,223 1,226 1,230 5,231 1,233 9,234 2,236 1386,237 17.258,238 17.258,239 17.258,240 17.258,241 17.258,242 17.051,243 9.612,244 10.498,245 17.36,246 13.233,247 13.233,248 13.233,249 13.233,250 13.233,251 12.912,252 6.544,253 4.898,254 13.438,255 4.872,256 3.793,257 2.332,258 1.203,259 0.873,260 0.757,261 3.979,265 1,266 1,267 666,268 5,270 95.231,277 2.195,278 39.892,280 1,281 0.83,282 0.83,283 0.8,284 1,285 0.83,286 0.5,287 0.83,288 59,289 344,290 4.352,291 3.596,292 7.247,293 4.342,294 3.352,295 3.352,296 2.341,297 12.142,298 3.316,299 4.143,300 3.417,301 6.681,302 4.125,303 3.143,304 3.143,306 10.721,307 3.083,308 3.55,309 3.253,310 5.35,311 3.241,312 2.236,313 2.71,315 6.208,316 2.223,317 3.074,318 2.325,319 4.723,320 3.036,321 2.072,322 2.074,324 5.184,325 1.993,326 2.84,327 1.997,328 4.659,329 2.81,330 1.832,331 1.839,333 4.885,334 1.786,335 2.722,336 1.873,337 4.623,338 2.68,339 1.706,340 1.72,342 4.365,343 1.652,344 2.572,345 1.713,346 3.799,347 2.539,348 1.557,349 1.569,351 3.435,352 1.523,353 2.375,354 1.415,355 3.576,356 2.359,357 1.372,358 1.374,360 2.626,361 1.349,362 2.125,363 1.3,364 3.375,365 2.07,366 1.084,367 1.106,369 2.337,370 1.062,371 1.679,372 0.937,373 3.105,374 1.62,375 0.654,376 0.661,378 1.478,379 0.626,380 1.296,381 0.609,382 2.741,383 1.258,384 0.261,385 0.264,387 0.528,388 0.259,389 1.194,390 0.308,391 2.582,392 1.17,393 0.181,394 0.182,395 0.3,396 0.178,397 0.805,398 0.22,399 2.401,400 0.722,401 -0.245,402 -0.248,403 -0.563,404 -0.234,405 0.492,406 0.009,407 2.303,408 0.338,409 -0.56,410 -0.56,411 -1.303,412 -0.49,413 0.433,414 -0.072,415 2,416 0.248,417 -0.723,418 -0.731,419 -1.625,420 -0.693,421 12.667,422 0.469,423 0.814,424 0.03,425 16.25,426 0.602,427 1.5,428 0.056,429 14.75,430 0.546,431 41.253,432 1.528,433 35.333,434 0.512,435 8.731,436 0.323,437 1.723,438 0.064,439 10.963,440 0.406,441 0.25,442 0.039,443 0.237,447 0.928,448 1.414,449 1.18,450 1.408,451 0.923,452 1.343,453 0.593,454 1.382,455 1.057,456 1.381,457 0.566,458 1.303,459 0.898,460 1.242,461 1.087,462 1.239,463 0.883,464 1.199,465 0.959,466 0.999,467 1.032,468 1.007,469 0.913,470 1.028,471 0.837,472 0.947,473 0.919,474 0.949,475 0.808,476 0.948,477 0.851,478 0.986,479 0.926,480 0.985,481 0.831,482 0.969,483 0.995,484 0.943,485 0.968,486 0.943,487 0.945,488 0.95,489 1.077,490 1.1,491 1.115,492 1.104,493 1.026,494 1.115,495 6.5,496 0.192,497 3.778,498 2.389,499 1.05,500 0.802,501 0.749,502 0.476,503 0.26,504 0.265,505 8102,506 18187,507 1.829,508 60.9,509 27,510 3,513 4,514 2,515 4,516 2,517 1.7,518 1.662,519 3.578,520 1.624,525 85.294,526 1.236,527 2.315,528 3.777,529 4.905,530 5.235,531 5.351,532 3.084,533 4.459,534 4.717,535 3.801,536 1334.31,537 8.191,538 18282.9,542 421.488,543 1.698,544 4.634,545 0.241,546 0.008,547 0.105,548 0.066,549 0.033,550 0.026,551 0.023,552 0.015,553 0.01,554 0.011,555 0.538,556 0.17,557 0.88,558 2.643,559 137.213,560 -0.091,561 0.086,562 -0.031,563 0.079,564 -0.101,565 0.038,566 0.084,567 -0.087,568 -0.022,569 -0.088,570 0.098,571 -0.074,572 -0.047,573 -0.136,574 -0.086,575 -0.134,576 -0.045,577 -0.118,578 -0.028,579 -0.016,580 -0.06,581 -0.022,582 -0.024,583 -0.043,584 -0.032,585 0.015,586 0.017,587 0.018,588 -0.039,589 0.025,590 0.028,591 -0.006,592 0.035,593 -0.002,594 0.014,595 0.015,596 -0.008,597 0.035,598 0.015,599 0.035,600 0.002,601 0.029,602 -0.094,603 -0.102,604 -0.127,605 -0.106,606 -0.08,607 -0.12,608 2.412,609 4.628,610 0.185,611 31.358,612 0.988,613 1.142,614 2.853,615 8.141,616 0.584,617 3.332,618 3.611,619 3.738,620 3.829,621 3.85,622 3.829,623 3.892,624 3.892,625 3.892,626 3.829,627 7.404,628 0.531,629 386.64,630 3.332,631 4.844,632 5.638,633 6.488,634 7.314,635 8.172,636 9.014,637 9.879,638 10.731,639 11.6,670 69,671 1,673 27,675 69,676 22,681 1,682 1,685 3,686 1,688 3,689 2,691 15,693 1,694 21,695 2,696 1,698 1,701 1,707 42,708 5,709 4,710 5,717 1,718 5,719 3,730 1,739 1,746 4,748 1,752 3,756 27,759 4,760 12,764 5,766 1,773 7.2,774 3,775 1,776 1,779 16.25,780 12.133,781 6.208,782 4.792,785 0.067,786 1.01,787 0.794,788 11.061,789 6.492,790 3.367,791 3.664,792 3.761,793 3.85,794 3.871,795 3.85,796 3.912,797 3.912,798 3.932,799 3.912,800 0.889,801 36,802 10.205,803 4.271,804 7.892,805 19.929,806 16.768,807 2.392,808 64.583,812 447.302,813 57.8,816 195.878,819 57.8,820 643.18,822 26.476,823 30.414,824 128.05,825 68.738,828 447.302,830 447.302,831 57.8,832 195.878,835 376.675,836 138.455,837 128.05,839 56.89,840 0.91,843 447.302,844 195.878,845 57.8,848 447.302,849 31.324,850 26.476,852 195.878,853 447.302,854 195.878,855 57.8,857 0.57,858 0.311,859 0.144,860 0.073,861 12,862 8,863 0.203,864 14,866 1,867 3.788,868 197.102,870 5,871 126.382,874 24.557,875 12.161,876 8.598,878 195.878,886 170.733,887 700.98,888 28,890 10.538,893 -0.746,895 68.192,896 78.766,897 0.202,898 0.379,899 0.618,900 0.803,901 0.857,902 0.876,903 4.635,904 1.372,905 5.659,906 3.435,907 4.29,908 4.344,909 2.258,910 6.479,911 4.256,912 5.759,913 1.084,914 7.248,915 2.626,916 4.111,917 4.205,918 2.243,919 7.751,920 4.046,921 7.034,922 0.654,923 8.963,924 2.337,925 5.943,926 6.033,927 3.628,928 10.74,929 5.884,930 8.344,931 0.261,932 10.757,933 1.478,934 6.594,935 6.698,936 4.112,937 12.836,938 6.509,939 9.694,940 0.181,941 12.602,942 0.528,943 7.984,944 8.081,945 5.201,946 15.45,947 7.9,948 11.07,949 -0.245,950 14.481,951 0.3,952 8.974,953 9.066,954 5.889,955 17.801,956 8.869,957 12.466,958 -0.56,959 16.383,960 -0.563,961 10.225,962 10.308,963 6.849,964 20.312,965 10.114,966 3.352,967 -0.723,968 18.302,969 -1.303,970 11.342,971 11.414,972 7.625,973 22.744,974 11.214,975 3.143,976 12.142,977 20.233,978 -1.625,979 12.549,980 12.613,981 8.526,982 25.227,983 12.412,984 2.236,985 10.721,986 22.172,987 3.352,988 13.712,989 13.767,990 9.342,991 27.687,992 13.561,993 2.072,994 6.208,995 24.118,996 3.143,997 14.907,998 14.954,999 10.216,1000 30.165,1001 14.745,1002 1.832,1003 5.184,1004 26.068,1005 2.71,1006 16.088,1007 16.127,1008 11.051,1009 32.637,1010 15.914,1011 1.706,1012 4.885,1013 28.022,1014 2.074,1015 17.28,1016 17.313,1017 11.912,1018 35.116,1019 17.095,1020 1.557,1021 4.365,1022 29.979,1023 1.839,1024 18.468,1025 18.496,1026 12.755,1027 37.594,1028 18.271,1029 8666,1030 13089,1031 16.296,1032 40.262,1033 38.955,1034 39.688,1035 41.092,1036 39.032,1037 38.902,1038 39.991,1039 4.682,1040 108.418,1041 38.102,1042 5.334,1043 5.576,1044 7.088,1045 5.324,1046 5.335,1047 5.352,1048 3.925,1049 19.098,1050 5.298,1051 19.434,1052 1.443,1053 1.47,1054 1.522,1055 1.446,1056 1.441,1057 1.481,1058 0.173,1059 4.015,1060 1.411,1061 3.987,1062 4.028,1063 3.873,1064 3.879,1065 7.474,1066 3.871,1067 3.835,1068 3.884,1069 3.708,1070 3.725,1071 6.465,1072 3.714,1073 3.746,1074 3.798,1075 3.609,1076 3.608,1077 6.447,1078 3.596,1079 3.565,1080 3.635,1081 3.387,1082 3.416,1083 6.433,1084 3.397,1085 3.504,1086 3.551,1087 3.355,1088 3.323,1089 6.351,1090 3.32,1091 3.355,1092 3.431,1093 3.152,1094 3.19,1095 4.295,1096 3.17,1097 3.193,1098 3.243,1099 3.025,1100 2.963,1101 4.189,1102 2.969,1103 3.004,1104 3.106,1105 2.823,1106 2.78,1107 4.057,1108 2.748,1109 0.161,1110 0.133,1111 0.268,1112 0.161,1113 0.124,1114 4.352,1115 0.124,1116 3.596,1117 0.087,1118 7.247,1119 0.45,1120 4.342,1121 0.123,1122 3.352,1123 3.352,1124 2.341,1125 12.142,1126 3.316,1127 1.879,1128 1.834,1129 2.086,1130 2.019,1131 1.481,1132 2.043,1133 1.811,1134 1.758,1135 2.042,1136 1.961,1137 1.409,1138 1.991,1139 1.698,1140 1.645,1141 1.938,1142 1.864,1143 1.306,1144 1.889,1145 1.603,1146 1.553,1147 1.858,1148 1.798,1149 1.189,1150 1.814,1151 1.546,1152 1.482,1153 1.813,1154 1.744,1155 1.099,1156 1.772,1157 1.418,1158 1.362,1159 1.694,1160 1.641,1161 0.991,1162 1.656,1163 1.248,1164 1.183,1165 1.544,1166 1.492,1167 0.835,1168 1.509,1169 1.04,1170 0.963,1171 1.463,1172 1.325,1173 0.624,1174 1.366,1175 4.007,1177 5.293,1178 2.398,1179 6.749,1180 4.844,1181 8.29,1182 6.986,1183 9.882,1185 6.384,1189 40.025,1190 9.687,1194 -1.191,1196 -0.113,1199 36.637,1200 85.294,1201 159.749,1202 260.587,1203 338.469,1204 361.224,1205 369.224,1206 156.207,1207 6.425,1208 97.99,1209 97.99,1210 5,1211 12.148,1212 1,1213 1,1214 81.655,1215 114,1216 132,1217 0.337,1218 231.462,1219 418.11,1220 556.528,1221 4662,1223 20.449,1224 0.757,1225 0.651,1226 20.449,1227 17.569,1228 12.686,1229 0.47,1230 0.405,1231 10.865,1232 12.337,1233 10.519,1234 8.814,1235 12.686,1236 10.946,1237 11.474,1238 0.319,1239 0.256,1240 11.474,1241 9.23,1242 8.266,1243 0.202,1244 0.16,1245 8.266,1246 6.55,1247 5.775,1248 0.128,1249 0.101,1250 5.775,1251 4.53,1252 4.029,1253 0.088,1254 0.067,1255 4.029,1256 3.077,1257 0.541,1258 79,1259 0.248,1260 26.571,1261 0.89,1262 126,1263 308.334,1264 136.739,1265 288.699,1266 360.74,1267 264,1268 140,1269 229.485,1270 148.97,1271 230.989,1272 330.28,1273 216,1274 4.699}
{0 CHEMBL286132,1 1.389,2 14.433,3 3.711,4 13.773,5 115.021,6 6.425,7 0.194,8 4.219,9 4.339,10 3.608,11 3.723,12 5.283,13 3.67,14 4.805,15 4.983,16 3.927,17 4.151,18 5.813,19 4.047,20 5.21,21 5.459,22 3.964,23 4.317,24 6.112,25 4.169,26 5.273,27 5.545,28 3.895,29 4.303,30 6.196,31 4.132,32 5.249,33 5.53,34 3.857,35 4.254,36 6.113,37 4.085,38 5.207,39 5.477,40 3.872,41 4.208,42 6.172,43 4.055,44 5.179,45 5.444,46 3.798,47 4.17,48 6.167,49 4.011,50 5.124,51 5.403,52 3.71,53 4.114,54 6.061,55 3.945,56 0.085,57 0.842,58 15.492,59 6.919,60 27.28,61 9.111,62 0.221,63 1.391,64 27.956,65 11.803,66 59.615,67 16.15,68 0.444,69 1.802,70 42.685,71 15.396,72 102.881,73 21.951,74 0.628,75 1.844,76 45.705,77 15.697,78 129.476,79 22.858,80 0.511,81 1.77,82 44.486,83 15.169,84 112.627,85 22.163,86 0.614,87 1.686,88 43.087,89 14.298,90 130.931,91 20.777,92 0.66,93 1.621,94 42.056,95 13.808,96 136.759,97 19.972,98 0.567,99 1.537,100 39.524,101 13.168,102 124.232,103 19.185,104 47,105 40,106 0.225,107 0.491,108 0.682,109 0.851,110 0.896,111 0.906,112 3.439,113 1.079,114 -3.62,115 -3.6,116 -3.43,118 36.9,120 11,121 2,125 3,133 4,134 2,145 2,150 1,153 1,154 17,155 1,158 2,160 1,162 7,164 20,165 1,167 3,170 7,171 18,172 1,175 3,178 1,179 7,180 14,181 1,184 3,189 7,192 12,193 1,196 2,199 1,200 8,202 13,203 1,206 1,209 1,210 7,211 13,212 1,215 2,217 1,219 6,222 12,223 1,226 2,230 6,231 1,233 11,234 2,236 1848,237 19.905,238 19.905,239 19.905,240 19.905,241 19.905,242 18.883,243 16.575,244 12.155,245 20.027,246 15.232,247 15.232,248 15.232,249 15.232,250 15.232,251 13.607,252 12.797,253 5.733,254 15.475,255 4.633,256 2.991,257 1.817,258 0.773,259 0.492,260 0.431,261 4.105,265 1,266 1,267 877,268 4.472,270 103.621,271 118.711,277 2.529,278 44.638,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 65.5,289 433,290 4.148,291 4.058,292 6.682,293 4.13,294 3.148,295 3.725,296 2.341,297 10.723,298 3.088,299 4.132,300 3.596,301 5.592,302 3.695,303 2.697,304 3.148,305 2.035,306 7.701,307 2.69,308 3.606,309 3.258,310 5.354,311 3.329,312 2.364,313 2.758,315 6.335,316 2.276,317 3.55,318 2.818,319 5.072,320 3.241,321 2.236,322 2.71,324 6.063,325 2.223,326 3.331,327 2.564,328 4.892,329 3.046,330 2.066,331 2.333,333 5.642,334 2.026,335 3.042,336 2.313,337 4.662,338 2.974,339 2.004,340 2.04,342 5.184,343 1.932,344 2.938,345 2.174,346 4.656,347 2.751,348 1.772,349 1.816,351 4.748,352 1.727,353 2.789,354 1.91,355 3.796,356 2.567,357 1.585,358 1.783,360 3.446,361 1.548,362 2.619,363 1.73,364 3.52,365 2.24,366 1.243,367 1.603,369 2.681,370 1.238,371 2.604,372 1.328,373 3.469,374 2.108,375 1.123,376 1.15,378 2.458,379 1.1,380 2.167,381 1.264,382 3.214,383 1.812,384 0.818,385 0.894,387 1.86,388 0.811,389 1.878,390 0.977,391 2.947,392 1.488,393 0.513,394 0.834,395 1.163,396 0.496,397 1.589,398 0.702,399 2.689,400 1.371,401 0.423,402 0.533,403 0.622,404 0.4,405 1.282,406 0.586,407 2.607,408 1.207,409 0.22,410 0.227,411 0.481,412 0.216,413 0.867,414 0.306,415 2.362,416 0.743,417 -0.231,418 -0.235,419 -0.535,420 -0.221,421 14.067,422 0.469,423 0.685,424 0.023,425 27.5,426 0.917,427 10.5,428 0.35,429 17,430 0.567,431 35.752,432 1.192,433 35.733,434 0.55,435 18.681,436 0.623,437 4.429,438 0.148,439 9.972,440 0.332,441 0.147,443 0.284,447 0.9,448 1.181,449 1.002,450 1.171,451 0.819,452 1.116,453 0.602,454 1.311,455 1.034,456 1.339,457 0.544,458 1.275,459 0.926,460 1.075,461 1.025,462 1.085,463 0.854,464 1.078,465 0.872,466 0.987,467 0.996,468 1,469 0.82,470 1.018,471 0.888,472 0.953,473 0.929,474 0.958,475 0.823,476 0.954,477 0.979,478 0.953,479 0.969,480 0.971,481 0.935,482 0.969,483 1.099,484 0.949,485 1.047,486 0.971,487 0.998,488 0.998,489 0.997,490 0.884,491 0.974,492 0.905,493 0.911,494 0.935,495 6,496 0.234,497 2.889,498 2.139,499 1.192,500 0.844,501 0.576,502 0.34,503 0.262,504 0.274,505 12524,506 34870,507 1.94,508 53.8,509 14,510 7,513 4,514 2,515 6,516 2,517 1.725,518 1.8,519 3.763,520 1.564,522 1,525 90.28,526 1.389,527 3.031,528 4.206,529 5.249,530 5.53,531 5.592,532 3.261,533 4.774,534 4.872,535 3.997,536 1738.62,537 8.486,538 26553.5,542 391.454,543 1.457,544 4.825,545 0.194,546 0.007,547 0.072,548 0.055,549 0.034,550 0.025,551 0.017,552 0.011,553 0.009,554 0.009,555 0.433,556 0.17,557 0.88,558 1.87,559 159.489,560 -0.103,561 0.118,562 -0.024,563 0.117,564 -0.063,565 0.067,566 0.067,567 -0.133,568 -0.091,569 -0.147,570 0.084,571 -0.146,572 -0.068,573 -0.072,574 -0.064,575 -0.058,576 -0.056,577 -0.061,578 -0.009,579 -0.027,580 -0.036,581 -0.022,582 -0.005,583 -0.033,584 -0.039,585 -0.016,586 0.027,587 0.007,588 -0.033,589 0.025,590 -0.005,591 -0.007,592 0.009,593 -0.01,594 -0.022,595 0.001,596 -0.048,597 -0.01,598 -0.058,599 -0.014,600 -0.037,601 -0.034,602 -0.05,603 0.044,604 -0.002,605 0.046,606 -0.031,607 0.03,608 2.43,609 4.397,610 0.367,611 39.547,612 0.996,613 1.132,614 2.395,615 5.735,616 0.619,617 3.466,618 3.714,619 3.871,620 4.043,621 4.127,622 4.06,623 4.06,624 4.043,625 4.094,626 4.127,627 8.428,628 0.578,629 417.6,630 3.466,631 4.963,632 5.759,633 6.594,634 7.414,635 8.258,636 9.09,637 9.939,638 10.781,639 11.635,640 1.5,646 1,651 4,656 2,658 6,659 1,670 65,671 8,672 1,673 31,675 66,676 24,677 6,678 2,679 4,681 2,682 2,688 3,689 2,691 14,692 1,693 7,694 16,695 2,696 1,698 1,701 1,707 35,708 6,709 4,710 6,714 1,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,756 30,759 4,760 11,764 5,767 1,770 1,771 1,773 7.7,774 3,775 1,776 1,779 16.667,780 10.667,781 6.917,782 4.293,785 1.21,786 1.174,787 0.831,788 10.472,789 8.15,790 3.638,791 3.998,792 4.334,793 4.683,794 5.032,795 4.968,796 5.096,797 4.85,798 4.939,799 5.021,800 0.9,801 39,802 11.246,803 4.779,804 8.022,805 21.515,806 18.033,807 2.522,808 75.667,812 364.904,813 89.668,814 31.059,816 195.878,819 89.668,820 560.782,821 31.059,823 27.88,824 165.955,825 85.34,826 37.431,828 364.904,830 364.904,831 120.727,832 195.878,835 270.735,836 161.997,837 128.05,839 58.939,840 61.788,843 364.904,844 226.938,845 89.668,848 364.904,849 35.161,850 37.905,851 16.602,852 226.938,853 364.904,854 226.938,855 89.668,857 0.562,858 0.309,859 0.157,860 0.083,861 14,862 8,863 0.197,864 13,866 1,867 4.246,868 230.519,870 11,871 147.207,874 24.503,875 12.821,876 8.487,878 226.938,879 7.412,884 1.654,886 170.733,887 681.509,888 37,890 10.552,893 -0.763,895 64.76,896 73.604,897 0.231,898 0.503,899 0.698,900 0.872,901 0.918,902 0.928,903 4.871,904 1.585,905 5.714,906 4.748,907 4.394,908 4.682,909 2.882,910 6.438,911 4.361,912 6,913 1.243,914 7.223,915 3.446,916 3.892,917 4.248,918 2.243,919 7.222,920 3.81,921 7.245,922 1.123,923 8.834,924 2.681,925 5.9,926 6.539,927 4.276,928 10.283,929 5.839,930 8.516,931 0.818,932 10.508,933 2.458,934 6.217,935 6.897,936 4.112,937 11.982,938 6.11,939 9.818,940 0.513,941 12.225,942 1.86,943 7.693,944 8.709,945 5.779,946 14.577,947 7.602,948 11.14,949 0.423,950 13.975,951 1.163,952 8.42,953 9.449,954 5.889,955 16.681,956 8.29,957 12.481,958 0.22,959 15.751,960 0.622,961 9.679,962 11.057,963 7.333,964 19.124,965 9.552,966 3.148,967 -0.231,968 17.548,969 0.481,970 10.616,971 12.007,972 7.625,973 21.392,974 10.458,975 2.697,976 10.723,977 19.363,978 -0.535,979 11.788,980 13.507,981 8.919,982 23.786,983 11.624,984 2.364,985 7.701,986 21.194,987 3.725,988 12.829,989 14.585,990 9.342,991 26.118,992 12.638,993 2.236,994 6.335,995 23.037,996 3.148,997 13.971,998 16.02,999 10.529,1000 28.496,1001 13.767,1002 2.066,1003 6.063,1004 24.89,1005 2.758,1006 15.062,1007 17.179,1008 11.051,1009 30.853,1010 14.834,1011 2.004,1012 5.642,1013 26.752,1014 2.71,1015 16.196,1016 18.572,1017 12.159,1018 33.226,1019 15.951,1020 1.772,1021 5.184,1022 28.621,1023 2.333,1024 17.311,1025 19.785,1026 12.755,1027 35.592,1028 17.044,1029 12696,1030 21252,1031 19.879,1032 40.222,1033 45.933,1034 47.761,1035 46.045,1036 44.546,1037 44.424,1038 51.109,1039 8.751,1040 118.211,1041 43.541,1042 5.128,1043 6.058,1044 6.506,1045 5.13,1046 5.148,1047 6.725,1048 4.376,1049 17.488,1050 5.088,1051 18.404,1052 1.482,1053 1.541,1054 1.485,1055 1.437,1056 1.433,1057 1.649,1058 0.282,1059 3.813,1060 1.405,1061 3.994,1062 4.032,1063 3.904,1064 3.911,1065 7.474,1066 3.905,1067 3.924,1068 3.956,1069 3.841,1070 3.845,1071 6.82,1072 3.838,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 6.465,1078 3.6,1079 3.649,1080 3.696,1081 3.519,1082 3.507,1083 6.448,1084 3.501,1085 3.502,1086 3.548,1087 3.366,1088 3.32,1089 6.433,1090 3.319,1091 3.311,1092 3.377,1093 3.2,1094 3.167,1095 6.351,1096 3.16,1097 3.193,1098 3.243,1099 3.037,1100 2.985,1101 4.691,1102 2.992,1103 3.145,1104 3.204,1105 3.017,1106 2.963,1107 4.207,1108 2.968,1109 0.134,1110 0.131,1111 0.216,1112 0.133,1113 0.102,1114 4.148,1115 0.12,1116 4.058,1117 0.076,1118 6.682,1119 0.346,1120 4.13,1121 0.1,1122 3.148,1123 3.725,1124 2.341,1125 10.723,1126 3.088,1127 1.942,1128 1.915,1129 2.075,1130 2.027,1131 1.47,1132 2.044,1133 1.835,1134 1.787,1135 2.045,1136 1.974,1137 1.36,1138 2.001,1139 1.737,1140 1.685,1141 1.957,1142 1.899,1143 1.263,1144 1.919,1145 1.617,1146 1.57,1147 1.847,1148 1.806,1149 1.179,1150 1.818,1151 1.54,1152 1.492,1153 1.768,1154 1.736,1155 1.048,1156 1.746,1157 1.403,1158 1.351,1159 1.667,1160 1.623,1161 0.957,1162 1.633,1163 1.228,1164 1.172,1165 1.508,1166 1.442,1167 0.783,1168 1.464,1169 1.087,1170 1.033,1171 1.336,1172 1.326,1173 0.578,1174 1.322,1175 4.143,1177 5.407,1178 2.398,1179 6.838,1180 4.844,1181 8.352,1182 6.986,1183 9.916,1189 39.792,1190 7.395,1194 -1.474,1197 8.975,1198 2.124,1199 37.551,1200 90.28,1201 197.033,1202 273.376,1203 341.189,1204 359.454,1205 363.454,1206 124.669,1207 6.94,1208 121.78,1209 121.78,1210 11,1211 12.193,1212 3.17,1213 2.807,1214 69.518,1215 147,1216 159,1217 0.22,1218 235.411,1219 427.25,1220 566.163,1221 10271,1223 21.933,1224 0.731,1225 0.587,1226 21.933,1227 17.619,1228 14.401,1229 0.465,1230 0.36,1231 11.065,1232 14.002,1233 10.875,1234 8.98,1235 14.401,1236 11.154,1237 12.47,1238 0.312,1239 0.216,1240 12.47,1241 8.627,1242 9.354,1243 0.199,1244 0.135,1245 9.354,1246 6.355,1247 7.24,1248 0.129,1249 0.083,1250 7.24,1251 4.649,1252 5.344,1253 0.088,1254 0.052,1255 5.344,1256 3.155,1257 0.359,1258 89.647,1259 0.224,1260 29.336,1261 0.564,1262 142,1263 397.979,1264 153.433,1265 381.45,1266 482.88,1267 350,1268 158,1269 312.893,1270 166.972,1271 316.724,1272 449.38,1273 298,1274 6.678}
{0 CHEMBL287080,1 1.533,2 14.719,3 4.02,4 16.164,5 117.337,6 7.247,7 0.182,8 4.211,9 4.319,10 3.692,11 3.694,12 5.357,13 3.673,14 4.792,15 4.949,16 4.113,17 4.102,18 6.31,19 4.048,20 5.131,21 5.355,22 4.075,23 4.252,24 6.228,25 4.153,26 5.2,27 5.45,28 4.018,29 4.218,30 6.351,31 4.108,32 5.112,33 5.364,34 3.974,35 4.141,36 6.222,37 4.038,38 5.084,39 5.328,40 3.932,41 4.101,42 6.238,43 4.004,44 5.088,45 5.333,46 3.865,47 4.086,48 6.2,49 3.976,50 5.074,51 5.329,52 3.884,53 4.043,54 6.348,55 3.931,56 0.198,57 1.008,58 13.617,59 6.888,60 54.111,61 8.12,62 0.948,63 1.954,64 26.98,65 11.458,66 196.48,67 14.273,68 0.774,69 1.881,70 39.713,71 14.553,72 143.162,73 19.481,74 1.125,75 1.975,76 44.862,77 14.864,78 197.872,79 19.955,80 0.881,81 1.791,82 40.665,83 13.651,84 156.771,85 18.509,86 1.061,87 1.712,88 40.092,89 13.058,90 201.339,91 17.338,92 1.093,93 1.629,94 40.309,95 12.899,96 211.359,97 17.403,98 1.325,99 1.577,100 40.531,101 12.5,102 239.959,103 17.218,104 75,105 45,106 0.25,107 0.574,108 0.786,109 0.911,110 0.927,111 0.927,112 3.501,113 0.985,114 -4.62,115 -4.54,116 -4.28,118 38.1,120 7,121 2,125 3,127 1,129 4,133 4,134 2,145 1,150 1,153 1,154 17,155 1,158 1,160 1,162 7,164 20,165 1,167 1,170 7,171 18,172 1,175 1,178 1,179 7,180 14,181 1,184 1,189 7,192 12,193 1,196 1,199 1,200 8,202 13,203 1,206 1,209 1,210 7,211 13,212 1,215 1,219 6,222 12,223 1,226 1,230 6,231 1,233 11,234 2,236 2082,237 20.507,238 20.507,239 20.507,240 20.507,241 20.507,242 19.2,243 23.726,244 12.293,245 20.87,246 16.279,247 16.279,248 16.279,249 16.279,250 16.279,251 14.269,252 23.771,253 5.871,254 16.986,255 4.444,256 2.46,257 1.159,258 0.393,259 0.298,260 0.298,261 4.163,265 1,266 1,267 951,268 5,270 111.237,271 127.092,277 2.656,278 66.71,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 73.5,289 471,290 4.452,291 4.46,292 7.116,293 4.181,294 3.319,295 3.864,296 3.825,297 11.689,298 3.088,299 4.172,300 3.596,301 6.682,302 4.13,303 3.148,304 3.211,305 2.341,306 10.723,307 2.905,308 3.796,309 3.336,310 5.404,311 3.498,312 2.528,313 3.088,314 0.765,315 7.154,316 2.418,317 3.552,318 2.868,319 5.351,320 3.249,321 2.29,322 2.713,324 6.289,325 2.224,326 3.479,327 2.667,328 5,329 3.24,330 2.236,331 2.56,333 5.908,334 2.177,335 3.207,336 2.378,337 4.663,338 2.994,339 2.036,340 2.268,342 5.184,343 1.946,344 2.993,345 2.147,346 4.657,347 2.754,348 1.775,349 2.077,351 4.755,352 1.73,353 2.916,354 1.928,355 4.499,356 2.578,357 1.605,358 1.961,360 4.439,361 1.554,362 2.686,363 1.893,364 3.796,365 2.518,366 1.562,367 1.671,369 3.446,370 1.462,371 2.571,372 1.531,373 3.514,374 2.114,375 1.133,376 1.601,378 2.575,379 1.103,380 2.335,381 1.206,382 3.468,383 2.093,384 1.112,385 1.255,387 2.455,388 1.079,389 2.171,390 1.1,391 3.213,392 1.811,393 0.817,394 1.004,395 1.858,396 0.809,397 1.63,398 0.823,399 2.947,400 1.482,401 0.505,402 0.549,403 1.155,404 0.49,405 1.403,406 0.643,407 2.726,408 1.207,409 0.221,410 0.246,411 0.483,412 0.216,413 1.004,414 0.51,415 2.61,416 0.743,417 -0.231,418 -0.261,419 -0.535,420 -0.221,421 14.524,422 0.454,423 1.012,424 0.032,425 28,426 0.875,427 9.5,428 0.297,429 18.5,430 0.578,431 36.44,432 1.139,433 38.876,434 0.617,435 24.988,436 0.781,437 5.416,438 0.169,439 9.658,440 0.302,441 0.174,442 0.034,443 0.275,444 3,447 0.721,448 0.976,449 0.835,450 1.137,451 0.756,452 1.06,453 0.463,454 0.913,455 0.868,456 1.279,457 0.46,458 1.241,459 0.696,460 0.889,461 0.915,462 1.124,463 0.677,464 1.114,465 0.844,466 0.907,467 0.964,468 1.002,469 0.82,470 1.024,471 0.778,472 0.884,473 0.871,474 1.004,475 0.751,476 0.984,477 0.935,478 0.888,479 1.006,480 0.997,481 0.911,482 1.018,483 0.912,484 0.815,485 1.036,486 0.984,487 0.887,488 1.042,489 0.767,490 0.756,491 0.907,492 0.883,493 0.74,494 0.938,495 8,496 0.267,497 3.778,498 2.514,499 1.45,500 1.08,501 0.616,502 0.465,503 0.311,504 0.294,505 14742,506 53046,507 1.902,508 49.2,509 8,510 11,513 4,514 2,515 4,516 2,517 1.741,518 1.738,519 3.782,520 1.57,522 1,525 96.585,526 1.533,527 3.517,528 4.818,529 5.584,530 5.68,531 5.68,532 3.243,533 4.539,534 4.967,535 4.051,536 2009.35,537 8.673,538 32201.4,542 376.569,543 1.669,544 4.892,545 0.242,546 0.008,547 0.084,548 0.058,549 0.037,550 0.028,551 0.017,552 0.014,553 0.009,554 0.009,555 0.508,557 0.88,558 1.844,559 173.582,560 -0.08,561 0.064,562 -0.03,563 0.116,564 -0.111,565 0.072,566 0.293,567 0.176,569 -0.11,570 0.304,571 -0.155,572 -0.033,573 -0.117,574 -0.029,575 -0.102,576 -0.02,577 -0.077,578 -0.039,579 -0.052,580 -0.022,581 -0.026,582 -0.033,583 -0.021,584 -0.034,585 -0.082,586 0.056,587 -0.029,588 -0.02,589 0.027,590 -0.064,591 0.01,592 -0.049,593 -0.02,594 -0.059,595 -0.022,596 -0.073,597 -0.012,598 -0.087,599 -0.026,600 -0.075,601 -0.053,602 0.075,603 0.028,604 0.053,605 0.054,606 0.081,607 0.044,608 5.659,609 4.814,610 0.344,611 42.012,612 1.019,613 1.145,614 3.394,615 11.522,616 0.62,617 3.526,618 3.829,619 3.951,620 4.111,621 4.22,622 4.159,623 4.19,624 4.143,625 4.159,626 4.22,627 8.781,628 0.598,629 456.55,630 3.526,631 5.056,632 5.855,633 6.713,634 7.538,635 8.4,636 9.239,637 10.102,638 10.951,639 11.816,651 4,656 2,658 6,670 63,671 9,672 1,673 33,675 64,676 24,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,690 1,691 10,693 11,694 13,695 2,696 3,698 1,699 4,701 1,704 1,705 3,707 31,708 8,709 4,710 8,717 1,718 5,719 3,730 1,731 1,739 1,741 4,746 4,748 2,754 3,756 32,759 4,760 7,764 5,766 1,772 3,773 7.9,774 3,775 1,776 1,779 18.417,780 10.229,781 7.083,782 3.795,785 1.955,786 1.275,787 0.837,788 10.114,789 9.053,790 3.689,791 4.119,792 4.434,793 4.805,794 5.172,795 5.202,796 5.356,797 5.264,798 5.457,799 5.662,800 0.9,801 43,802 12.437,803 5.799,804 8.451,805 21.992,806 18.225,807 2.951,808 94.417,811 1,812 317.82,813 108.592,816 195.878,817 44.88,819 108.592,820 513.698,821 44.88,823 17.742,824 203.86,825 68.738,826 51.251,828 317.82,829 7.76,830 317.82,831 108.592,832 240.759,835 247.193,836 183.335,837 128.05,839 25.501,840 45.186,841 37.905,843 362.7,844 195.878,845 108.592,848 325.579,849 25.023,850 75.81,852 240.759,853 317.82,854 240.759,855 108.592,857 0.58,858 0.306,859 0.149,860 0.08,861 17,862 10,863 0.172,864 11,866 1,867 4.326,868 255.73,870 11,871 155.245,874 26.28,875 12.315,876 8.832,878 240.759,879 5.012,884 -0.239,886 170.733,887 667.171,888 39,890 10.514,891 6.952,893 -0.843,895 64.196,896 72.125,897 0.256,898 0.588,899 0.806,900 0.934,901 0.95,902 0.95,903 4.945,904 1.605,905 5.872,906 4.755,907 4.511,908 4.804,909 3.42,910 6.668,911 4.427,912 6.116,913 1.562,914 7.438,915 4.439,916 4.29,917 4.543,918 4.06,919 7.803,920 4.026,921 7.397,922 1.133,923 9.12,924 3.446,925 6.138,926 6.721,927 5.573,928 10.786,929 5.943,930 8.708,931 1.112,932 10.876,933 2.575,934 6.711,935 7.2,936 6.762,937 12.764,938 6.322,939 10.053,940 0.817,941 12.68,942 2.455,943 8.111,944 8.947,945 8.113,946 15.361,947 7.757,948 11.42,949 0.505,950 14.52,951 1.858,952 9.033,953 9.792,954 9.418,955 17.639,956 8.513,957 12.808,958 0.221,959 16.385,960 1.155,961 10.28,962 11.353,963 10.755,964 20.124,965 9.748,966 3.319,967 -0.231,968 18.27,969 0.483,970 11.352,971 12.399,972 12.086,973 22.504,974 10.69,975 3.148,976 11.689,977 20.17,978 -0.535,979 12.549,980 13.867,981 13.424,982 24.955,983 11.844,984 2.528,985 10.723,986 22.081,987 3.864,988 13.685,989 15.032,990 14.762,991 27.372,992 12.874,993 2.29,994 7.154,995 24,996 3.211,997 14.868,998 16.449,999 16.102,1000 29.814,1001 13.996,1002 2.236,1003 6.289,1004 25.926,1005 3.088,1006 16.03,1007 17.685,1008 17.443,1009 32.245,1010 15.068,1011 2.036,1012 5.908,1013 27.857,1014 2.713,1015 17.21,1016 19.074,1017 18.784,1018 34.685,1019 16.181,1020 1.775,1021 5.184,1022 29.792,1023 2.56,1024 18.384,1025 20.354,1026 20.125,1027 37.122,1028 17.273,1029 14992,1030 28658,1031 20.572,1032 39.029,1033 49.636,1034 48.523,1035 49.712,1036 48.97,1037 48.57,1038 56.133,1039 13.862,1040 136.228,1041 46.4,1042 5.365,1043 6.46,1044 6.94,1045 5.181,1046 5.319,1047 6.864,1048 5.409,1049 18.66,1050 5.088,1051 22.151,1052 1.504,1053 1.47,1054 1.506,1055 1.484,1056 1.472,1057 1.701,1058 0.42,1059 4.128,1060 1.406,1061 3.998,1062 4.031,1063 3.926,1064 3.914,1065 8.513,1066 3.91,1067 3.931,1068 3.962,1069 3.853,1070 3.847,1071 7.999,1072 3.842,1073 3.742,1074 3.788,1075 3.619,1076 3.619,1077 7.999,1078 3.609,1079 3.642,1080 3.684,1081 3.534,1082 3.5,1083 7.474,1084 3.497,1085 3.487,1086 3.522,1087 3.384,1088 3.317,1089 6.465,1090 3.321,1091 3.356,1092 3.402,1093 3.334,1094 3.158,1095 6.449,1096 3.166,1097 3.196,1098 3.257,1099 3.059,1100 2.966,1101 6.434,1102 2.994,1103 3.157,1104 3.205,1105 2.992,1106 2.921,1107 6.351,1108 2.93,1109 0.135,1110 0.135,1111 0.216,1112 0.127,1113 0.101,1114 4.452,1115 0.117,1116 4.46,1117 0.116,1118 7.116,1119 0.354,1120 4.181,1121 0.094,1122 3.319,1123 3.864,1124 3.825,1125 11.689,1126 3.088,1127 1.941,1128 1.915,1129 2.063,1130 2.033,1131 1.358,1132 2.042,1133 1.828,1134 1.789,1135 2.012,1136 1.953,1137 1.287,1138 1.974,1139 1.724,1140 1.682,1141 1.916,1142 1.877,1143 1.226,1144 1.889,1145 1.605,1146 1.56,1147 1.827,1148 1.796,1149 1.147,1150 1.804,1151 1.526,1152 1.479,1153 1.755,1154 1.726,1155 1.006,1156 1.733,1157 1.375,1158 1.333,1159 1.606,1160 1.583,1161 0.793,1162 1.583,1163 1.188,1164 1.143,1165 1.434,1166 1.456,1167 0.615,1168 1.417,1169 1.06,1170 1.012,1171 1.272,1172 1.341,1173 0.479,1174 1.312,1175 4.205,1177 5.509,1178 2.398,1179 6.974,1180 4.844,1181 8.519,1182 6.986,1183 10.111,1187 38.441,1189 39.4,1190 2.493,1194 -2.904,1196 -4.409,1199 37.679,1200 96.585,1201 221.593,1202 303.549,1203 351.814,1204 357.814,1205 357.814,1206 156.891,1207 7.098,1208 97.99,1209 97.99,1210 11,1211 12.366,1212 3.322,1213 2.807,1214 77.263,1215 167,1216 177,1217 0.218,1218 232.211,1219 434.46,1220 558.355,1221 12611,1222 4.8,1223 23.725,1224 0.741,1225 0.556,1226 21.225,1227 17.786,1228 15.074,1229 0.457,1230 0.328,1231 10.673,1232 14.423,1233 10.544,1234 8.64,1235 13.863,1236 10.831,1237 14.259,1238 0.317,1239 0.184,1240 12.301,1241 8.294,1242 9.892,1243 0.194,1244 0.114,1245 8.93,1246 5.791,1247 7.545,1248 0.126,1249 0.067,1250 7.027,1251 4.019,1252 5.697,1253 0.085,1254 0.039,1255 5.067,1256 2.581,1257 0.358,1258 95.583,1259 0.22,1260 30.868,1261 0.561,1262 156,1263 650.668,1264 183.756,1265 537.381,1266 665.2,1267 492,1268 174,1269 423.485,1270 192.782,1271 407.015,1272 605.88,1273 382,1274 7.194}
{0 CHEMBL288277,1 1.5,2 14.094,3 4.775,4 22.797,5 115.257,6 6.874,7 0.182,8 4.265,9 4.382,10 3.7,11 3.731,12 5.347,13 3.7,14 4.88,15 5.053,16 4.124,17 4.16,18 6.312,19 4.089,20 5.244,21 5.487,22 4.105,23 4.331,24 6.229,25 4.213,26 5.337,27 5.594,28 4.119,29 4.332,30 6.41,31 4.209,32 5.357,33 5.634,34 4.025,35 4.281,36 6.393,37 4.153,38 5.272,39 5.54,40 3.983,41 4.219,42 6.319,43 4.097,44 5.239,45 5.492,46 3.983,47 4.182,48 6.476,49 4.056,50 5.197,51 5.478,52 3.782,53 4.125,54 6.173,55 3.978,56 0.17,57 1.061,58 15.448,59 7.416,60 50.685,61 9.113,62 0.937,63 2.038,64 30.949,65 12.445,66 201.539,67 16.168,68 0.772,69 1.999,70 45.12,71 15.796,72 158.411,73 21.987,74 1.055,75 2.227,76 50.889,77 16.591,78 202.509,79 23.027,80 1.249,81 2.171,82 53.425,83 16.15,84 236.62,85 22.396,86 1.176,87 1.851,88 48.611,89 14.772,90 230.021,91 20.8,92 1.476,93 1.735,94 47.208,95 14.099,96 276.604,97 20.022,98 1.11,99 1.717,100 45.431,101 13.638,102 207.925,103 19.283,104 75,105 45,106 0.243,107 0.497,108 0.676,109 0.836,110 0.889,111 0.904,112 3.501,113 1.046,114 -4.79,115 -4.7,116 -4.42,118 35.8,120 11,121 2,125 3,127 1,133 4,134 2,145 1,150 1,153 1,154 17,155 1,158 1,160 1,162 7,164 20,165 1,167 1,170 7,171 18,172 1,175 1,178 1,179 7,180 14,181 1,184 1,189 7,192 12,193 1,196 1,199 1,200 8,202 13,203 1,206 1,209 1,210 7,211 13,212 1,215 1,219 6,222 12,223 1,226 1,230 6,231 1,233 11,234 2,236 2034,237 20.559,238 20.559,239 20.559,240 20.559,241 20.559,242 19.639,243 16.137,244 12.362,245 20.923,246 16.277,247 16.277,248 16.277,249 16.277,250 16.277,251 14.888,252 12.447,253 5.883,254 16.98,255 4.566,256 3.003,257 1.893,258 0.911,259 0.578,260 0.489,261 4.163,265 1,266 1,267 910,268 5,270 108.946,271 127.092,277 2.662,278 69.141,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 73.5,289 451,290 4.534,291 4.471,292 7.247,293 4.256,294 3.375,295 3.993,296 3.825,297 12.232,298 3.088,299 4.148,300 3.596,301 6.682,302 4.13,303 3.148,304 3.148,305 2.341,306 10.723,307 3.028,308 3.668,309 3.258,310 5.596,311 3.415,312 2.476,313 2.86,315 7.375,316 2.298,317 3.55,318 2.831,319 5.354,320 3.242,321 2.278,322 2.71,324 6.296,325 2.223,326 3.344,327 2.553,328 5.014,329 3.22,330 2.236,331 2.368,333 5.92,334 2.091,335 3.043,336 2.311,337 4.663,338 2.994,339 2.036,340 2.079,342 5.184,343 1.944,344 2.904,345 1.912,346 4.657,347 2.754,348 1.774,349 2.021,351 4.752,352 1.73,353 2.788,354 1.733,355 4.151,356 2.575,357 1.592,358 1.787,360 3.535,361 1.558,362 2.607,363 1.634,364 3.796,365 2.485,366 1.49,367 1.618,369 3.439,370 1.479,371 2.583,372 1.338,373 3.619,374 2.123,375 1.16,376 1.603,378 2.828,379 1.104,380 2.168,381 1.322,382 3.479,383 2.106,384 1.122,385 1.15,387 2.461,388 1.092,389 1.888,390 0.977,391 3.207,392 1.814,393 0.82,394 0.857,395 1.856,396 0.813,397 1.61,398 0.724,399 2.952,400 1.499,401 0.524,402 0.557,403 1.188,404 0.507,405 1.291,406 0.597,407 2.726,408 1.217,409 0.229,410 0.236,411 0.503,412 0.225,413 0.881,414 0.51,415 2.581,416 0.755,417 -0.221,418 -0.226,419 -0.516,420 -0.213,421 14.524,422 0.454,423 0.995,424 0.031,425 26,426 0.813,427 7.5,428 0.234,429 18.5,430 0.578,431 40.768,432 1.274,433 40.076,434 0.598,435 21.253,436 0.664,437 4.409,438 0.138,439 10.682,440 0.334,441 0.174,442 0.034,443 0.275,444 3,447 0.714,448 1.038,449 0.878,450 1.224,451 0.736,452 1.139,453 0.444,454 0.947,455 0.885,456 1.323,457 0.431,458 1.276,459 0.667,460 0.872,461 0.883,462 1.099,463 0.648,464 1.081,465 0.785,466 0.991,467 0.924,468 1.083,469 0.75,470 1.065,471 0.996,472 0.949,473 0.991,474 0.943,475 0.969,476 0.958,477 0.899,478 0.828,479 0.956,480 0.947,481 0.883,482 0.965,483 0.788,484 0.795,485 0.972,486 0.977,487 0.756,488 1.032,489 0.947,490 0.797,491 1,492 0.873,493 0.926,494 0.938,495 7.5,496 0.366,497 4,498 2.889,499 1.37,500 1.136,501 0.739,502 0.34,503 0.286,504 0.369,505 14374,506 48212,507 1.902,508 52.2,509 14,510 7,513 4,514 2,515 6,516 2,517 1.742,518 1.738,519 3.69,520 1.57,525 100.499,526 1.5,527 3.063,528 4.173,529 5.155,530 5.488,531 5.577,532 3.183,533 4.539,534 4.968,535 3.994,536 1980.86,537 8.678,538 31459.2,542 406.428,543 1.669,544 4.892,545 0.227,546 0.009,547 0.089,548 0.066,549 0.033,550 0.03,551 0.02,552 0.01,553 0.01,554 0.011,555 0.504,557 0.75,558 1.844,559 172.831,560 -0.074,561 0.061,562 -0.025,563 0.108,564 -0.091,565 0.067,566 0.289,567 0.159,568 0.009,569 -0.112,570 0.31,571 -0.144,572 -0.021,573 -0.097,574 0.003,575 -0.067,576 -0.011,577 -0.037,578 -0.013,579 -0.14,580 0.003,581 -0.091,582 0.005,583 -0.055,584 -0.093,585 -0.015,586 -0.022,587 0.007,588 -0.08,589 0.017,590 -0.05,591 0.01,592 -0.006,593 0.005,594 -0.054,595 0.016,596 0.077,597 -0.014,598 -0.021,599 -0.029,600 0.079,601 -0.056,602 -0.1,603 0.042,604 -0.047,605 0.061,606 -0.099,607 0.034,608 5.674,609 5.114,610 0.344,611 40.23,612 1.014,613 1.149,614 3.563,615 12.694,616 0.605,617 3.526,618 3.829,619 3.97,620 4.159,621 4.22,622 4.159,623 4.174,624 4.094,625 4.159,626 4.263,627 8.548,628 0.578,629 460.59,630 3.526,631 5.056,632 5.861,633 6.725,634 7.555,635 8.425,636 9.269,637 10.142,638 10.993,639 11.868,651 4,656 2,658 6,670 67,671 7,672 1,673 33,675 68,676 24,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,690 1,691 14,693 7,694 17,695 2,696 1,698 1,701 1,705 3,707 35,708 8,709 4,710 8,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,754 3,756 32,759 4,760 11,764 5,766 1,772 3,773 7.5,774 3,775 1,776 1,779 18.417,780 10.895,781 7.111,782 4.357,785 1.13,786 1.159,787 0.834,788 10.631,789 8.229,790 3.638,791 4.052,792 4.353,793 4.717,794 5.013,795 4.921,796 5.01,797 4.853,798 4.964,799 5.061,800 1,801 44,802 12.518,803 5.862,804 8.388,805 22.43,806 18.931,807 2.888,808 92.417,812 364.904,813 80.825,816 195.878,817 44.88,819 80.825,820 560.782,821 44.88,823 27.88,824 165.955,825 68.738,826 51.251,828 364.904,829 7.76,830 364.904,831 80.825,832 240.759,835 270.735,836 206.877,837 128.05,839 35.639,840 45.186,843 409.785,844 195.878,845 80.825,848 372.664,849 35.161,850 37.905,852 240.759,853 364.904,854 240.759,855 80.825,857 0.579,858 0.309,859 0.158,860 0.081,861 17,862 10,863 0.191,864 13,866 1,867 4.287,868 258.429,870 11,871 155.245,874 26.795,875 12.696,876 8.785,878 240.759,879 5.38,884 -0.513,886 170.733,887 686.488,888 37,890 10.547,893 -0.806,895 67.963,896 76.955,897 0.247,898 0.505,899 0.688,900 0.85,901 0.905,902 0.919,903 4.902,904 1.592,905 5.878,906 4.752,907 4.511,908 4.736,909 3.381,910 6.691,911 4.427,912 6.057,913 1.49,914 7.452,915 3.535,916 4.29,917 4.543,918 4.06,919 7.861,920 4.026,921 7.34,922 1.16,923 9.146,924 3.439,925 6.146,926 6.642,927 5.571,928 10.879,929 5.953,930 8.656,931 1.122,932 10.915,933 2.828,934 6.735,935 7.235,936 6.762,937 12.898,938 6.357,939 10.011,940 0.82,941 12.736,942 2.461,943 8.141,944 8.926,945 8.113,946 15.534,947 7.797,948 11.392,949 0.524,950 14.591,951 1.856,952 9.083,953 9.889,954 9.418,955 17.851,956 8.588,957 12.796,958 0.229,959 16.473,960 1.188,961 10.34,962 11.426,963 10.755,964 20.378,965 9.831,966 3.375,967 -0.221,968 18.375,969 0.503,970 11.432,971 12.578,972 12.086,973 22.799,974 10.804,975 3.148,976 12.232,977 20.291,978 -0.516,979 12.641,980 14.045,981 13.424,982 25.294,983 11.969,984 2.476,985 10.723,986 22.218,987 3.993,988 13.794,989 15.299,990 14.762,991 27.754,992 13.024,993 2.278,994 7.375,995 24.154,996 3.148,997 14.991,998 16.73,999 16.102,1000 30.242,1001 14.159,1002 2.236,1003 6.296,1004 26.097,1005 2.86,1006 16.17,1007 18.04,1008 17.443,1009 32.718,1010 15.25,1011 2.036,1012 5.92,1013 28.044,1014 2.71,1015 17.366,1016 19.451,1017 18.784,1018 35.206,1019 16.374,1020 1.774,1021 5.184,1022 29.997,1023 2.368,1024 18.556,1025 20.792,1026 20.125,1027 37.691,1028 17.48,1029 14633,1030 27033,1031 20.572,1032 40.552,1033 48.86,1034 48.521,1035 49.922,1036 48.928,1037 48.521,1038 53.975,1039 12.332,1040 136.582,1041 46.356,1042 5.515,1043 6.471,1044 7.071,1045 5.256,1046 5.375,1047 6.993,1048 5.409,1049 19.717,1050 5.088,1051 21.964,1052 1.481,1053 1.47,1054 1.513,1055 1.483,1056 1.47,1057 1.636,1058 0.374,1059 4.139,1060 1.405,1061 4.002,1062 4.038,1063 3.93,1064 3.914,1065 8.513,1066 3.911,1067 3.935,1068 3.967,1069 3.848,1070 3.845,1071 7.999,1072 3.839,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 7.999,1078 3.599,1079 3.647,1080 3.695,1081 3.516,1082 3.501,1083 7.474,1084 3.494,1085 3.502,1086 3.547,1087 3.366,1088 3.319,1089 6.465,1090 3.318,1091 3.318,1092 3.367,1093 3.324,1094 3.131,1095 6.448,1096 3.112,1097 3.278,1098 3.348,1099 3.093,1100 3.009,1101 6.433,1102 3.063,1103 3.193,1104 3.243,1105 3.024,1106 2.963,1107 6.351,1108 2.969,1109 0.137,1110 0.135,1111 0.22,1112 0.129,1113 0.102,1114 4.534,1115 0.121,1116 4.471,1117 0.116,1118 7.247,1119 0.371,1120 4.256,1121 0.094,1122 3.375,1123 3.993,1124 3.825,1125 12.232,1126 3.088,1127 1.943,1128 1.918,1129 2.074,1130 2.038,1131 1.47,1132 2.048,1133 1.835,1134 1.787,1135 2.044,1136 1.976,1137 1.362,1138 2.002,1139 1.736,1140 1.685,1141 1.957,1142 1.9,1143 1.271,1144 1.92,1145 1.616,1146 1.569,1147 1.847,1148 1.806,1149 1.182,1150 1.818,1151 1.536,1152 1.488,1153 1.768,1154 1.735,1155 1.058,1156 1.745,1157 1.4,1158 1.348,1159 1.667,1160 1.622,1161 0.962,1162 1.632,1163 1.207,1164 1.143,1165 1.507,1166 1.441,1167 0.785,1168 1.458,1169 1.096,1170 1.058,1171 1.335,1172 1.429,1173 0.579,1174 1.344,1175 4.205,1177 5.509,1178 2.398,1179 6.98,1180 4.844,1181 8.536,1182 6.986,1183 10.145,1187 39.341,1189 39.683,1190 5.481,1194 -2.272,1196 -4.424,1199 38.733,1200 100.499,1201 205.252,1202 279.595,1203 345.408,1204 367.673,1205 373.673,1206 167.884,1207 7.098,1208 97.99,1209 97.99,1210 11,1211 12.413,1212 3,1213 2.322,1214 77.196,1215 163,1216 177,1217 0.225,1218 238.066,1219 439.74,1220 572.641,1221 12611,1222 4.5,1223 23.725,1224 0.741,1225 0.572,1226 21.225,1227 18.305,1228 15.091,1229 0.457,1230 0.349,1231 11.345,1232 14.44,1233 11.218,1234 9.196,1235 13.88,1236 11.503,1237 14.18,1238 0.315,1239 0.199,1240 12.185,1241 8.969,1242 9.869,1243 0.19,1244 0.127,1245 9.136,1246 6.602,1247 7.877,1248 0.125,1249 0.077,1250 7.005,1251 4.857,1252 5.681,1253 0.085,1254 0.049,1255 5.054,1256 3.261,1257 0.366,1258 95.684,1259 0.22,1260 30.726,1261 0.581,1262 156,1263 630.668,1264 183.756,1265 515.754,1266 636.74,1267 472,1268 175,1269 404.485,1270 193.782,1271 386.142,1272 577.58,1273 363,1274 5.67}
{0 CHEMBL289373,1 1.388,2 13.69,3 4.038,4 16.304,5 109.5,6 6.415,7 0.2,8 4.209,9 4.329,10 3.592,11 3.691,12 5.253,13 3.641,14 4.803,15 4.982,16 3.926,17 4.119,18 5.84,19 4.021,20 5.207,21 5.458,22 3.969,23 4.274,24 6.138,25 4.136,26 5.264,27 5.534,28 3.876,29 4.256,30 6.22,31 4.093,32 5.24,33 5.523,34 3.82,35 4.212,36 6.102,37 4.044,38 5.191,39 5.46,40 3.895,41 4.17,42 6.231,43 4.025,44 5.17,45 5.435,46 3.759,47 4.132,48 6.165,49 3.975,50 5.108,51 5.392,52 3.654,53 4.071,54 5.977,55 3.9,56 0.08,57 0.882,58 15.491,59 7.004,60 25.509,61 9.06,62 0.209,63 1.452,64 28.225,65 11.767,66 63.545,67 15.904,68 0.495,69 1.849,70 43.164,71 15.034,72 112.589,73 21.181,74 0.735,75 1.877,76 46.137,77 15.291,78 145.372,79 21.803,80 0.613,81 1.74,82 44.644,83 14.683,84 125.395,85 21.277,86 0.771,87 1.641,88 42.922,89 13.861,90 154.942,91 20.044,92 0.763,93 1.611,94 42.232,95 13.411,96 146.411,97 19.225,98 0.596,99 1.501,100 39.205,101 12.716,102 116.312,103 18.453,104 44,105 39,106 0.227,107 0.485,108 0.675,109 0.849,110 0.9,111 0.911,112 3.407,113 1.088,114 -4.38,115 -4.31,116 -4.07,118 35.9,120 11,121 2,125 3,133 4,134 1,135 1,145 1,150 1,153 1,154 15,155 1,158 1,160 1,162 7,164 17,165 1,167 1,170 7,171 16,172 1,175 1,178 1,179 7,180 14,181 1,184 1,189 6,192 11,193 1,196 1,199 1,200 8,202 12,203 1,206 1,209 1,210 7,211 12,212 1,215 1,219 6,222 11,223 1,226 1,230 5,231 1,233 9,234 2,236 1692,237 19.087,238 19.087,239 19.087,240 19.087,241 19.087,242 18.076,243 13.527,244 11.672,245 19.251,246 14.782,247 14.782,248 14.782,249 14.782,250 14.782,251 13.341,252 9.221,253 5.562,254 15.113,255 4.612,256 3.038,257 1.876,258 0.817,259 0.5,260 0.438,261 4.071,265 1,266 1,267 805,268 4.359,270 99.214,271 114.521,277 2.507,278 49.648,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.5,289 397,290 4.162,291 3.596,292 6.682,293 4.13,294 3.148,295 3.774,296 2.341,297 10.723,298 3.088,299 4.147,300 3.258,301 6.023,302 3.771,303 2.8,304 3.148,306 8.556,307 2.711,308 3.55,309 3.178,310 5.354,311 3.301,312 2.344,313 2.71,315 6.307,316 2.237,317 3.361,318 2.601,319 5.023,320 3.241,321 2.236,322 2.375,324 5.945,325 2.222,326 3.044,327 2.313,328 4.663,329 2.998,330 2.038,331 2.083,333 5.184,334 1.95,335 2.904,336 1.999,337 4.657,338 2.756,339 1.776,340 2.033,342 4.755,343 1.732,344 2.843,345 1.907,346 4.195,347 2.581,348 1.598,349 1.966,351 3.871,352 1.564,353 2.787,354 1.73,355 3.796,356 2.501,357 1.519,358 1.787,360 3.444,361 1.489,362 2.607,363 1.528,364 3.605,365 2.379,366 1.414,367 1.603,369 2.985,370 1.346,371 2.169,372 1.324,373 3.479,374 2.109,375 1.124,376 1.151,378 2.461,379 1.1,380 1.904,381 0.977,382 3.207,383 1.817,384 0.822,385 0.867,387 1.859,388 0.815,389 1.637,390 0.748,391 2.938,392 1.514,393 0.542,394 0.581,395 1.215,396 0.522,397 1.306,398 0.608,399 2.618,400 1.227,401 0.239,402 0.247,403 0.523,404 0.234,405 1.017,406 0.329,407 2.364,408 0.789,409 -0.166,410 -0.18,411 -0.372,412 -0.153,413 0.805,414 0.267,415 2.264,416 0.644,417 -0.286,418 -0.308,419 -0.627,420 -0.262,421 13.452,422 0.464,423 0.706,424 0.024,425 24,426 0.828,427 7.5,428 0.259,429 16.5,430 0.569,431 35.769,432 1.233,433 35.748,434 0.559,435 16.472,436 0.568,437 3.933,438 0.136,439 9.947,440 0.343,441 0.145,443 0.297,445 1,447 0.812,448 1.123,449 0.981,450 1.212,451 0.795,452 1.15,453 0.589,454 1.262,455 1.007,456 1.381,457 0.565,458 1.306,459 0.891,460 1.054,461 0.998,462 1.091,463 0.874,464 1.075,465 0.939,466 1.003,467 1.034,468 1.021,469 0.906,470 1.045,471 0.87,472 0.871,473 0.935,474 0.938,475 0.847,476 0.949,477 0.81,478 0.881,479 0.903,480 0.969,481 0.782,482 0.96,483 1.059,484 0.902,485 1.076,486 0.968,487 1.014,488 1.018,489 0.924,490 0.817,491 0.96,492 0.886,493 0.901,494 0.925,495 5.5,496 0.241,497 3.333,498 2.139,499 1.072,500 0.893,501 0.535,502 0.278,503 0.262,504 0.329,505 11329,506 32201,507 1.938,508 54.7,509 14,510 7,513 4,514 2,515 6,516 2,517 1.717,518 1.794,519 3.677,520 1.595,522 1,525 88.824,526 1.388,527 2.962,528 4.124,529 5.183,530 5.5,531 5.563,532 3.224,533 4.651,534 4.823,535 3.929,536 1595.08,537 8.39,538 23642.8,540 1,542 384,543 1.475,544 4.773,545 0.183,546 0.007,547 0.085,548 0.056,549 0.032,550 0.028,551 0.016,552 0.01,553 0.01,554 0.011,555 0.438,557 0.88,558 1.81,559 152.121,560 -0.088,561 0.095,562 -0.023,563 0.115,564 -0.077,565 0.069,566 0.054,567 -0.154,568 -0.079,569 -0.169,570 0.077,571 -0.158,572 -0.059,573 -0.095,574 -0.045,575 -0.07,576 -0.053,577 -0.059,578 -0.039,579 -0.031,580 -0.071,581 -0.044,582 -0.03,583 -0.061,584 -0.051,585 0.014,586 0.009,587 0.015,588 -0.054,589 0.025,590 0.071,591 -0.013,592 0.056,593 -0.011,594 0.067,595 0.014,596 -0.074,598 -0.096,599 -0.017,600 -0.063,601 -0.055,602 -0.076,603 0.039,604 -0.011,605 0.054,606 -0.082,607 0.039,608 2.437,609 5.681,610 0.379,611 36.887,612 1.001,613 1.138,614 3.148,615 9.907,616 0.608,617 3.434,618 3.689,619 3.85,620 4.007,621 4.078,622 4.007,623 3.97,624 3.989,625 4.06,626 4.127,627 8.119,628 0.569,629 410.58,630 3.434,631 4.934,632 5.733,633 6.569,634 7.392,635 8.236,636 9.071,637 9.921,638 10.765,639 11.62,651 4,656 2,658 6,669 1,670 64,671 7,672 1,673 30,675 65,676 23,677 6,678 2,679 4,681 2,682 2,688 3,689 2,691 14,693 7,694 16,695 2,696 1,698 1,701 1,705 1,707 35,708 6,709 4,710 6,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,754 1,756 29,759 4,760 11,764 5,772 1,773 7.8,774 3,775 1,776 1,779 16.167,780 10.36,781 6.611,782 4.223,785 0.993,786 1.145,787 0.83,788 10.231,789 7.845,790 3.555,791 3.942,792 4.23,793 4.542,794 4.833,795 4.627,796 4.558,797 4.613,798 4.752,799 4.836,800 1,801 38,802 10.945,803 4.721,804 8.092,805 20.828,806 17.563,807 2.592,808 75.167,812 364.904,813 79.001,816 195.878,817 14.96,819 79.001,820 560.782,821 14.96,823 27.88,824 165.955,825 68.738,826 12.307,827 14.96,828 364.904,830 364.904,831 79.001,832 210.838,835 285.695,836 161.997,837 128.05,839 27.88,840 51.121,843 379.864,844 195.878,845 79.001,848 364.904,849 41.096,850 37.905,852 210.838,853 364.904,854 210.838,855 79.001,857 0.567,858 0.31,859 0.156,860 0.08,861 14,862 8,863 0.2,864 13,866 1,867 4.148,868 220.93,870 11,871 140.881,874 23.949,875 12.389,876 8.138,878 210.838,879 6.581,884 0.348,886 170.733,887 654.744,888 34,890 10.534,893 -0.77,895 64.054,896 72.86,897 0.231,898 0.494,899 0.687,900 0.864,901 0.917,902 0.927,903 4.783,904 1.519,905 5.694,906 3.871,907 4.369,908 4.625,909 2.258,910 6.428,911 4.322,912 5.898,913 1.414,914 7.213,915 3.444,916 3.892,917 4.248,918 2.243,919 7.248,920 3.77,921 7.141,922 1.124,923 8.838,924 2.985,925 5.883,926 6.471,927 3.628,928 10.32,929 5.795,930 8.412,931 0.822,932 10.529,933 2.461,934 6.236,935 6.897,936 4.112,937 12.053,938 6.078,939 9.718,940 0.542,941 12.263,942 1.859,943 7.703,944 8.666,945 5.201,946 14.649,947 7.57,948 11.048,949 0.239,950 14.031,951 1.215,952 8.462,953 9.478,954 5.889,955 16.76,956 8.274,957 12.398,958 -0.166,959 15.822,960 0.523,961 9.717,962 11.061,963 6.849,964 19.198,965 9.538,966 3.148,967 -0.286,968 17.633,969 -0.372,970 10.673,971 12.075,972 7.625,973 21.461,974 10.455,975 2.8,976 10.723,977 19.459,978 -0.627,979 11.844,980 13.563,981 8.526,982 23.847,983 11.623,984 2.344,985 8.556,986 21.297,987 3.774,988 12.894,989 14.692,990 9.342,991 26.171,992 12.643,993 2.236,994 6.307,995 23.145,996 3.148,997 14.034,998 16.123,999 10.216,1000 28.541,1001 13.773,1002 2.038,1003 5.945,1004 25.001,1005 2.71,1006 15.127,1007 17.323,1008 11.051,1009 30.89,1010 14.843,1011 1.776,1012 5.184,1013 26.863,1014 2.375,1015 16.259,1016 18.717,1017 11.912,1018 33.258,1019 15.961,1020 1.598,1021 4.755,1022 28.73,1023 2.083,1024 17.373,1025 19.962,1026 12.755,1027 35.618,1028 17.055,1029 11471,1030 19410,1031 19.186,1032 38.915,1033 43.375,1034 44.063,1035 44.878,1036 43.426,1037 43.2,1038 48.649,1039 4.682,1040 115.655,1041 42.024,1042 5.142,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.774,1048 3.925,1049 17.488,1050 5.088,1051 17.84,1052 1.446,1053 1.469,1054 1.496,1055 1.448,1056 1.44,1057 1.622,1058 0.156,1059 3.855,1060 1.401,1061 3.991,1062 4.03,1063 3.898,1064 3.895,1065 8.201,1066 3.89,1067 3.917,1068 3.948,1069 3.837,1070 3.834,1071 7.474,1072 3.829,1073 3.748,1074 3.8,1075 3.61,1076 3.612,1077 6.465,1078 3.599,1079 3.642,1080 3.69,1081 3.507,1082 3.498,1083 6.448,1084 3.491,1085 3.502,1086 3.547,1087 3.365,1088 3.319,1089 6.433,1090 3.318,1091 3.278,1092 3.351,1093 3.093,1094 3.13,1095 6.351,1096 3.111,1097 3.193,1098 3.243,1099 3.024,1100 2.963,1101 4.647,1102 2.969,1103 3.003,1104 3.051,1105 2.857,1106 2.784,1107 4.207,1108 2.783,1109 0.139,1110 0.12,1111 0.223,1112 0.138,1113 0.105,1114 4.162,1115 0.126,1116 3.596,1117 0.078,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.774,1124 2.341,1125 10.723,1126 3.088,1127 1.921,1128 1.893,1129 2.068,1130 2.024,1131 1.47,1132 2.038,1133 1.834,1134 1.786,1135 2.038,1136 1.973,1137 1.359,1138 1.998,1139 1.734,1140 1.683,1141 1.953,1142 1.897,1143 1.259,1144 1.917,1145 1.616,1146 1.568,1147 1.847,1148 1.805,1149 1.177,1150 1.817,1151 1.534,1152 1.486,1153 1.767,1154 1.732,1155 1.041,1156 1.743,1157 1.4,1158 1.348,1159 1.667,1160 1.621,1161 0.952,1162 1.631,1163 1.207,1164 1.142,1165 1.507,1166 1.43,1167 0.781,1168 1.458,1169 1.022,1170 0.965,1171 1.335,1172 1.315,1173 0.579,1174 1.316,1175 4.111,1177 5.38,1178 2.398,1179 6.817,1180 4.844,1181 8.337,1182 6.986,1183 9.908,1187 13.681,1189 39.609,1190 6.84,1194 -1.656,1199 36.44,1200 88.824,1201 189.579,1202 263.922,1203 331.735,1204 352,1205 356,1206 128.235,1207 6.852,1208 97.99,1209 97.99,1210 11,1211 12.177,1212 3,1213 2.322,1214 65.78,1215 136,1216 150,1217 0.224,1218 226.077,1219 410.3,1220 543.389,1221 9104,1222 1.6,1223 21.225,1224 0.732,1225 0.588,1226 20.355,1227 17.049,1228 13.88,1229 0.463,1230 0.363,1231 10.768,1232 13.413,1233 10.611,1234 8.736,1235 13.469,1236 10.875,1237 12.185,1238 0.312,1239 0.216,1240 11.667,1241 8.406,1242 9.136,1243 0.199,1244 0.136,1245 8.61,1246 6.237,1247 7.005,1248 0.13,1249 0.084,1250 6.681,1251 4.543,1252 5.054,1253 0.087,1254 0.053,1255 4.898,1256 3.067,1257 0.364,1258 87.032,1259 0.228,1260 28.472,1261 0.578,1262 138,1263 440.445,1264 152.57,1265 389.411,1266 488.12,1267 358,1268 154,1269 313.818,1270 165.798,1271 308.027,1272 442.67,1273 291,1274 7.119}
{0 CHEMBL289568,1 1.388,2 13.724,3 4.038,4 16.304,5 109.5,6 6.415,7 0.2,8 4.209,9 4.329,10 3.592,11 3.691,12 5.253,13 3.641,14 4.803,15 4.982,16 3.926,17 4.119,18 5.848,19 4.021,20 5.207,21 5.458,22 3.943,23 4.274,24 6.128,25 4.132,26 5.257,27 5.529,28 3.868,29 4.257,30 6.177,31 4.088,32 5.24,33 5.523,34 3.82,35 4.212,36 6.109,37 4.044,38 5.19,39 5.46,40 3.856,41 4.17,42 6.154,43 4.022,44 5.168,45 5.433,46 3.799,47 4.133,48 6.221,49 3.977,50 5.111,51 5.394,52 3.657,53 4.07,54 5.998,55 3.902,56 0.08,57 0.882,58 15.491,59 7.004,60 25.459,61 9.06,62 0.209,63 1.452,64 28.225,65 11.767,66 64.728,67 15.904,68 0.518,69 1.826,70 43.154,71 15.024,72 114.608,73 21.21,74 0.665,75 1.807,76 45.33,77 15.248,78 133.383,79 22.013,80 0.613,81 1.74,82 44.644,83 14.683,84 125.228,85 21.277,86 0.665,87 1.64,88 42.714,89 13.866,90 135.464,91 20.007,92 0.846,93 1.588,94 42.171,95 13.392,96 162.047,97 19.331,98 0.619,99 1.524,100 39.474,101 12.73,102 119.32,103 18.383,104 44,105 39,106 0.227,107 0.485,108 0.68,109 0.854,110 0.9,111 0.911,112 3.407,113 1.087,114 -4.38,115 -4.31,116 -4.07,118 35.9,120 11,121 2,125 3,133 4,134 1,135 1,145 1,150 1,153 1,154 15,155 1,158 1,160 1,162 7,164 18,165 1,167 1,170 7,171 16,172 1,175 1,178 1,179 7,180 13,181 1,184 1,189 7,192 12,193 1,196 1,199 1,200 7,202 12,203 1,206 1,209 1,210 7,211 12,212 1,215 1,219 6,222 11,223 1,226 1,230 6,231 1,233 10,234 2,236 1707,237 19.035,238 19.035,239 19.035,240 19.035,241 19.035,242 18.052,243 14.878,244 11.652,245 19.21,246 14.804,247 14.804,248 14.804,249 14.804,250 14.804,251 13.367,252 10.971,253 5.587,254 15.147,255 4.612,256 3.038,257 1.845,258 0.785,259 0.5,260 0.438,261 4.071,265 1,266 1,267 807,268 4.359,270 99.812,271 114.521,277 2.542,278 48.774,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.5,289 398,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.648,296 2.341,297 10.723,298 3.088,299 4.043,300 3.258,301 5.512,302 3.646,303 2.666,304 3.148,306 7.462,307 2.611,308 3.55,309 2.993,310 5.353,311 3.306,312 2.35,313 2.71,315 6.306,316 2.239,317 3.41,318 2.645,319 5.024,320 3.241,321 2.236,322 2.58,324 5.961,325 2.223,326 3.233,327 2.401,328 4.726,329 3.005,330 2.046,331 2.313,333 5.24,334 1.957,335 3.036,336 2.306,337 4.661,338 2.894,339 1.942,340 2.038,342 5.184,343 1.831,344 2.79,345 1.911,346 4.655,347 2.749,348 1.771,349 1.79,351 4.746,352 1.723,353 2.671,354 1.73,355 3.796,356 2.566,357 1.585,358 1.746,360 3.446,361 1.547,362 2.606,363 1.335,364 3.506,365 2.201,366 1.213,367 1.603,369 2.637,370 1.193,371 2.168,372 1.299,373 3.466,374 2.108,375 1.122,376 1.15,378 2.457,379 1.099,380 1.878,381 0.977,382 3.211,383 1.811,384 0.817,385 0.849,387 1.859,388 0.81,389 1.589,390 0.704,391 2.937,392 1.483,393 0.506,394 0.535,395 1.157,396 0.491,397 1.282,398 0.587,399 2.615,400 1.207,401 0.221,402 0.227,403 0.483,404 0.216,405 0.936,406 0.306,407 2.363,408 0.744,409 -0.23,410 -0.235,411 -0.534,412 -0.221,413 0.824,414 0.19,415 2.263,416 0.511,417 -0.399,418 -0.5,419 -0.882,420 -0.346,421 13.452,422 0.464,423 0.723,424 0.025,425 24,426 0.828,427 7.5,428 0.259,429 16.5,430 0.569,431 35.644,432 1.229,433 35.748,434 0.559,435 16.409,436 0.566,437 3.918,438 0.135,439 9.945,440 0.343,441 0.145,443 0.297,445 1,447 0.812,448 1.123,449 0.981,450 1.212,451 0.796,452 1.15,453 0.589,454 1.262,455 1.007,456 1.381,457 0.557,458 1.306,459 0.903,460 1.023,461 1.027,462 1.089,463 0.888,464 1.088,465 0.79,466 0.933,467 0.968,468 1.021,469 0.758,470 1.035,471 0.87,472 0.871,473 0.935,474 0.938,475 0.841,476 0.949,477 0.89,478 0.881,479 0.943,480 0.968,481 0.866,482 0.968,483 0.921,484 0.876,485 1.01,486 0.968,487 0.88,488 1.006,489 0.981,490 0.844,491 0.986,492 0.886,493 0.956,494 0.929,495 6,496 0.234,497 2.889,498 2.139,499 1.152,500 0.781,501 0.576,502 0.309,503 0.262,504 0.274,505 11421,506 32745,507 1.938,508 54.7,509 14,510 7,513 4,514 2,515 6,516 2,517 1.717,518 1.794,519 3.696,520 1.595,522 1,525 88.824,526 1.388,527 2.962,528 4.155,529 5.215,530 5.5,531 5.563,532 3.224,533 4.651,534 4.822,535 3.947,536 1602.33,537 8.388,538 23822.6,540 1,542 384,543 1.475,544 4.773,545 0.2,546 0.008,547 0.074,548 0.058,549 0.035,550 0.024,551 0.017,552 0.01,553 0.01,554 0.009,555 0.445,557 0.88,558 1.81,559 152.337,560 -0.088,561 0.095,562 -0.023,563 0.115,564 -0.078,565 0.069,566 0.054,567 -0.154,568 -0.079,569 -0.169,570 0.085,571 -0.158,572 -0.071,573 -0.065,574 -0.074,575 -0.067,576 -0.067,577 -0.072,578 -0.004,579 -0.061,580 -0.03,581 -0.047,582 0.001,583 -0.046,584 -0.051,585 0.014,586 0.009,587 0.015,588 -0.048,589 0.025,590 -0.011,591 -0.013,592 0.015,593 -0.01,594 -0.018,595 0.006,596 0.023,597 -0.01,598 -0.04,599 -0.018,600 0.028,601 -0.041,602 -0.09,603 0.05,604 -0.027,605 0.055,606 -0.091,607 0.033,608 2.435,609 5.233,610 0.379,611 37.493,612 1.001,613 1.138,614 3.148,615 9.907,616 0.608,617 3.434,618 3.689,619 3.829,620 4.007,621 4.078,622 4.007,623 3.989,624 3.989,625 4.06,626 4.078,627 8.19,628 0.569,629 410.58,630 3.434,631 4.934,632 5.727,633 6.564,634 7.38,635 8.224,636 9.054,637 9.904,638 10.743,639 11.598,651 4,656 2,658 6,669 1,670 64,671 7,672 1,673 30,675 65,676 23,677 6,678 2,679 4,681 2,682 2,688 3,689 2,691 14,693 7,694 16,695 2,696 1,698 1,701 1,705 1,707 35,708 6,709 4,710 6,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,754 1,756 29,759 4,760 11,764 5,772 1,773 7.8,774 3,775 1,776 1,779 16.167,780 10.36,781 6.583,782 4.216,785 0.965,786 1.141,787 0.83,788 10.231,789 7.817,790 3.555,791 3.942,792 4.208,793 4.55,794 4.839,795 4.669,796 4.563,797 4.595,798 4.768,799 4.739,800 1,801 37,802 10.932,803 4.703,804 8.092,805 20.828,806 17.559,807 2.592,808 75.167,812 364.904,813 79.001,816 195.878,817 14.96,819 79.001,820 560.782,821 14.96,823 27.88,824 165.955,825 68.738,826 12.307,827 14.96,828 364.904,830 364.904,831 79.001,832 210.838,835 285.695,836 161.997,837 128.05,839 27.88,840 51.121,843 379.864,844 195.878,845 79.001,848 364.904,849 41.096,850 37.905,852 210.838,853 364.904,854 210.838,855 79.001,857 0.567,858 0.303,859 0.155,860 0.081,861 14,862 8,863 0.2,864 13,866 1,867 4.163,868 220.055,870 11,871 138.881,874 23.949,875 12.389,876 8.515,878 210.838,879 6.397,884 0.59,886 170.733,887 654.744,888 34,890 10.534,893 -0.768,895 64.054,896 72.86,897 0.231,898 0.494,899 0.693,900 0.869,901 0.917,902 0.927,903 4.783,904 1.585,905 5.687,906 4.746,907 4.369,908 4.625,909 2.258,910 6.409,911 4.322,912 5.898,913 1.213,914 7.195,915 3.446,916 3.892,917 4.248,918 2.243,919 7.182,920 3.77,921 7.138,922 1.122,923 8.805,924 2.637,925 5.872,926 6.457,927 3.628,928 10.249,929 5.786,930 8.402,931 0.817,932 10.477,933 2.457,934 6.196,935 6.827,936 4.112,937 11.946,938 6.046,939 9.698,940 0.506,941 12.193,942 1.859,943 7.664,944 8.601,945 5.201,946 14.549,947 7.54,948 11.015,949 0.221,950 13.942,951 1.157,952 8.395,953 9.324,954 5.889,955 16.657,956 8.222,957 12.349,958 -0.23,959 15.718,960 0.483,961 9.652,962 10.919,963 6.849,964 19.105,965 9.489,966 3.148,967 -0.399,968 17.517,969 -0.534,970 10.591,971 11.835,972 7.625,973 21.378,974 10.393,975 2.666,976 10.723,977 19.334,978 -0.882,979 11.764,980 13.334,981 8.526,982 23.775,983 11.564,984 2.35,985 7.462,986 21.167,987 3.648,988 12.807,989 14.369,990 9.342,991 26.11,992 12.579,993 2.236,994 6.306,995 23.012,996 3.148,997 13.95,998 15.807,999 10.216,1000 28.49,1001 13.713,1002 2.046,1003 5.961,1004 24.868,1005 2.71,1006 15.043,1007 16.92,1008 11.051,1009 30.848,1010 14.783,1011 1.942,1012 5.24,1013 26.733,1014 2.58,1015 16.178,1016 18.315,1017 11.912,1018 33.222,1019 15.904,1020 1.771,1021 5.184,1022 28.604,1023 2.313,1024 17.295,1025 19.483,1026 12.755,1027 35.589,1028 17.001,1029 11560,1030 19653,1031 19.186,1032 38.915,1033 43.341,1034 43.964,1035 44.686,1036 43.474,1037 43.243,1038 48.678,1039 4.682,1040 115.322,1041 42.055,1042 5.127,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.648,1048 3.925,1049 17.488,1050 5.088,1051 17.922,1052 1.445,1053 1.465,1054 1.49,1055 1.449,1056 1.441,1057 1.623,1058 0.156,1059 3.844,1060 1.402,1061 3.991,1062 4.03,1063 3.896,1064 3.895,1065 8.201,1066 3.889,1067 3.916,1068 3.948,1069 3.836,1070 3.834,1071 7.474,1072 3.828,1073 3.748,1074 3.8,1075 3.61,1076 3.612,1077 6.465,1078 3.599,1079 3.643,1080 3.691,1081 3.511,1082 3.498,1083 6.448,1084 3.492,1085 3.502,1086 3.547,1087 3.366,1088 3.319,1089 6.433,1090 3.318,1091 3.282,1092 3.353,1093 3.109,1094 3.13,1095 6.351,1096 3.113,1097 3.193,1098 3.243,1099 3.025,1100 2.963,1101 4.64,1102 2.969,1103 3.006,1104 3.053,1105 2.866,1106 2.783,1107 4.207,1108 2.784,1109 0.138,1110 0.12,1111 0.223,1112 0.138,1113 0.105,1114 4.148,1115 0.122,1116 3.596,1117 0.078,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.648,1124 2.341,1125 10.723,1126 3.088,1127 1.922,1128 1.894,1129 2.069,1130 2.023,1131 1.47,1132 2.038,1133 1.834,1134 1.786,1135 2.04,1136 1.973,1137 1.359,1138 1.998,1139 1.734,1140 1.683,1141 1.952,1142 1.897,1143 1.26,1144 1.916,1145 1.615,1146 1.568,1147 1.846,1148 1.805,1149 1.177,1150 1.817,1151 1.533,1152 1.486,1153 1.764,1154 1.733,1155 1.041,1156 1.742,1157 1.399,1158 1.347,1159 1.664,1160 1.621,1161 0.951,1162 1.631,1163 1.205,1164 1.14,1165 1.504,1166 1.43,1167 0.776,1168 1.456,1169 1.021,1170 0.965,1171 1.334,1172 1.315,1173 0.577,1174 1.316,1175 4.111,1177 5.38,1178 2.398,1179 6.81,1180 4.844,1181 8.322,1182 6.986,1183 9.883,1187 13.233,1189 39.62,1190 7.127,1194 -1.566,1199 36.44,1200 88.824,1201 189.579,1202 265.922,1203 333.735,1204 352,1205 356,1206 125.501,1207 6.852,1208 97.99,1209 97.99,1210 11,1211 12.157,1212 3,1213 2.322,1214 65.794,1215 137,1216 150,1217 0.222,1218 226.077,1219 410.3,1220 543.389,1221 9104,1222 1.6,1223 21.225,1224 0.732,1225 0.588,1226 20.355,1227 17.049,1228 13.863,1229 0.462,1230 0.362,1231 10.762,1232 13.39,1233 10.602,1234 8.73,1235 13.469,1236 10.869,1237 12.301,1238 0.315,1239 0.217,1240 11.667,1241 8.445,1242 8.93,1243 0.198,1244 0.138,1245 8.61,1246 6.188,1247 7.027,1248 0.13,1249 0.084,1250 6.681,1251 4.545,1252 5.067,1253 0.087,1254 0.053,1255 4.898,1256 3.072,1257 0.362,1258 86.931,1259 0.228,1260 28.517,1261 0.572,1262 138,1263 440.445,1264 152.57,1265 389.629,1266 487.56,1267 358,1268 153,1269 312.818,1270 164.216,1271 307.329,1272 439.89,1273 290,1274 7.377}
{0 CHEMBL289660,1 1.5,2 15.344,3 4.775,4 22.797,5 115.257,6 6.874,7 0.182,8 4.265,9 4.382,10 3.7,11 3.731,12 5.346,13 3.7,14 4.88,15 5.053,16 4.124,17 4.16,18 6.312,19 4.089,20 5.244,21 5.487,22 4.091,23 4.326,24 6.247,25 4.205,26 5.335,27 5.601,28 4.027,29 4.31,30 6.39,31 4.171,32 5.295,33 5.578,34 3.916,35 4.247,36 6.227,37 4.096,38 5.207,39 5.471,40 3.938,41 4.203,42 6.186,43 4.065,44 5.229,45 5.493,46 3.864,47 4.178,48 6.268,49 4.037,50 5.174,51 5.454,52 3.799,53 4.12,54 6.116,55 3.975,56 0.17,57 1.061,58 15.448,59 7.416,60 50.666,61 9.113,62 0.937,63 2.038,64 30.949,65 12.445,66 201.642,67 16.168,68 0.769,69 1.991,70 45.116,71 15.768,72 155.501,73 21.976,74 1.142,75 2.096,76 51.158,77 16.301,78 211.781,79 22.892,80 1.051,81 1.836,82 49.261,83 15.308,84 199.059,85 22.078,86 0.902,87 1.639,88 44.191,89 14.205,90 178.178,91 20.625,92 1.162,93 1.728,94 46.415,95 14.124,96 218.722,97 20.024,98 1,99 1.646,100 43.935,101 13.432,102 193.866,103 19.199,104 75,105 45,106 0.243,107 0.497,108 0.667,109 0.821,110 0.875,111 0.885,112 3.501,113 1.045,114 -4.79,115 -4.7,116 -4.42,118 35.8,120 11,121 2,125 3,127 1,133 4,134 2,145 1,150 1,153 1,154 17,155 1,158 1,160 1,162 7,164 20,165 1,167 1,170 7,171 18,172 1,175 1,178 1,179 7,180 14,181 1,184 1,189 7,192 12,193 1,196 1,199 1,200 8,202 13,203 1,206 1,209 1,210 7,211 13,212 1,215 1,219 6,222 12,223 1,226 1,230 6,231 1,233 11,234 2,236 2130,237 20.507,238 20.507,239 20.507,240 20.507,241 20.507,242 19.615,243 17.705,244 12.25,245 20.87,246 16.262,247 16.262,248 16.262,249 16.262,250 16.262,251 14.899,252 13.476,253 5.841,254 16.969,255 4.566,256 3.003,257 1.953,258 1,259 0.668,260 0.608,261 4.163,265 1,266 1,267 992,268 5,270 113.878,271 127.092,277 2.678,278 66.24,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 73.5,289 491,290 4.439,291 4.46,292 7.111,293 4.171,294 3.313,295 3.834,296 3.825,297 11.657,298 3.088,299 4.148,300 3.596,301 6.682,302 4.13,303 3.148,304 3.164,305 2.341,306 10.723,307 2.881,308 3.827,309 3.258,310 5.38,311 3.518,312 2.539,313 3.147,315 7.063,316 2.46,317 3.55,318 2.778,319 5.349,320 3.253,321 2.293,322 2.71,324 6.284,325 2.224,326 3.343,327 2.532,328 4.994,329 3.241,330 2.236,331 2.355,333 5.898,334 2.188,335 3.043,336 2.311,337 4.663,338 2.994,339 2.036,340 2.061,342 5.184,343 1.946,344 2.93,345 1.985,346 4.657,347 2.754,348 1.775,349 2.018,351 4.765,352 1.729,353 2.789,354 1.909,355 4.577,356 2.581,357 1.63,358 1.788,360 4.673,361 1.553,362 2.607,363 1.73,364 3.796,365 2.535,366 1.577,367 1.604,369 3.446,370 1.452,371 2.5,372 1.326,373 3.49,374 2.111,375 1.127,376 1.5,378 2.475,379 1.102,380 2.168,381 1,382 3.414,383 2,384 1,385 1.151,387 2.275,388 1,389 1.891,390 0.987,391 3.235,392 1.824,393 0.832,394 0.863,395 1.895,396 0.822,397 1.61,398 0.778,399 2.994,400 1.505,401 0.533,402 0.561,403 1.22,404 0.514,405 1.291,406 0.603,407 2.726,408 1.217,409 0.23,410 0.236,411 0.504,412 0.225,413 0.901,414 0.51,415 2.567,416 0.756,417 -0.22,418 -0.226,419 -0.515,420 -0.212,421 14.524,422 0.454,423 1.012,424 0.032,425 26,426 0.813,427 7.5,428 0.234,429 18.5,430 0.578,431 40.073,432 1.252,433 40.076,434 0.598,435 20.888,436 0.653,437 4.393,438 0.137,439 10.681,440 0.334,441 0.174,442 0.034,443 0.275,444 3,447 0.714,448 1.038,449 0.878,450 1.224,451 0.737,452 1.139,453 0.444,454 0.947,455 0.885,456 1.323,457 0.43,458 1.276,459 0.668,460 0.885,461 0.899,462 1.122,463 0.64,464 1.105,465 0.806,466 0.908,467 0.966,468 1.035,469 0.765,470 1.055,471 0.752,472 0.744,473 0.885,474 0.913,475 0.726,476 0.941,477 0.611,478 0.705,479 0.83,480 0.995,481 0.588,482 0.997,483 0.892,484 0.789,485 1.027,486 0.964,487 0.861,488 1.03,489 0.839,490 0.754,491 0.927,492 0.884,493 0.828,494 0.927,495 8,496 0.22,497 4,498 2.389,499 1.272,500 1.136,501 0.615,502 0.372,503 0.41,504 0.325,505 15110,506 51748,507 1.902,508 52.2,509 14,510 7,513 4,514 2,515 6,516 2,517 1.74,518 1.738,519 3.829,520 1.57,525 100.499,526 1.5,527 3.063,528 4.113,529 5.066,530 5.398,531 5.458,532 3.308,533 4.39,534 4.965,535 4.099,536 2033.02,537 8.665,538 32934.4,542 406.428,543 1.669,544 4.892,545 0.242,546 0.007,547 0.089,548 0.056,549 0.033,550 0.032,551 0.017,552 0.012,553 0.013,554 0.009,555 0.51,557 0.75,558 1.844,559 174.297,560 -0.074,561 0.061,562 -0.025,563 0.108,564 -0.091,565 0.067,566 0.289,567 0.159,568 0.009,569 -0.112,570 0.311,571 -0.144,572 -0.022,573 -0.11,574 -0.013,575 -0.09,576 -0.003,577 -0.061,578 -0.03,579 -0.071,580 -0.037,581 -0.06,582 -0.008,583 -0.054,584 -0.038,585 0.006,586 0.031,587 0.028,588 -0.032,589 0.049,590 0.024,591 -0.057,592 0.059,593 -0.034,594 0.022,595 0.01,596 -0.069,597 -0.011,598 -0.086,599 -0.017,600 -0.063,601 -0.05,602 -0.066,603 0.02,604 0.005,605 0.053,606 -0.076,607 0.053,608 5.611,609 4.634,610 0.344,611 44.293,612 1.014,613 1.149,614 3.563,615 12.694,616 0.605,617 3.526,618 3.829,619 3.951,620 4.094,621 4.19,622 4.205,623 4.174,624 4.127,625 4.234,626 4.159,627 9.028,628 0.578,629 460.59,630 3.526,631 5.056,632 5.855,633 6.711,634 7.534,635 8.394,636 9.23,637 10.094,638 10.938,639 11.804,651 4,656 2,658 6,670 67,671 7,672 1,673 33,675 68,676 24,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,690 1,691 14,693 7,694 17,695 2,696 1,698 1,701 1,705 3,707 35,708 8,709 4,710 8,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,754 3,756 32,759 4,760 11,764 5,766 1,772 3,773 7.5,774 3,775 1,776 1,779 18.417,780 10.895,781 7.083,782 4.35,785 1.028,786 1.145,787 0.834,788 10.631,789 8.126,790 3.638,791 4.052,792 4.334,793 4.662,794 5.018,795 5.054,796 5.068,797 4.832,798 5.027,799 4.881,800 1,801 43,802 12.446,803 5.78,804 8.388,805 22.43,806 18.926,807 2.888,808 92.417,812 364.904,813 80.825,816 195.878,817 44.88,819 80.825,820 560.782,821 44.88,823 27.88,824 165.955,825 68.738,826 51.251,828 364.904,829 7.76,830 364.904,831 80.825,832 240.759,835 270.735,836 206.877,837 128.05,839 35.639,840 45.186,843 409.785,844 195.878,845 80.825,848 372.664,849 35.161,850 37.905,852 240.759,853 364.904,854 240.759,855 80.825,857 0.582,858 0.306,859 0.145,860 0.076,861 17,862 10,863 0.191,864 13,866 1,867 4.358,868 253.769,870 11,871 151.245,874 26.795,875 12.696,876 9.144,878 240.759,879 4.951,884 0.039,886 170.733,887 686.488,888 37,890 10.544,893 -0.795,895 67.963,896 76.955,897 0.247,898 0.505,899 0.678,900 0.835,901 0.89,902 0.9,903 4.902,904 1.63,905 5.872,906 4.765,907 4.511,908 4.736,909 3.381,910 6.666,911 4.427,912 6.057,913 1.577,914 7.438,915 4.673,916 4.29,917 4.543,918 4.06,919 7.803,920 4.026,921 7.338,922 1.127,923 9.12,924 3.446,925 6.138,926 6.63,927 5.571,928 10.776,929 5.943,930 8.649,931 1,932 10.874,933 2.475,934 6.711,935 7.185,936 6.762,937 12.758,938 6.322,939 9.995,940 0.832,941 12.678,942 2.275,943 8.109,944 8.866,945 8.113,946 15.348,947 7.754,948 11.365,949 0.533,950 14.517,951 1.895,952 9.029,953 9.755,954 9.418,955 17.627,956 8.507,957 12.754,958 0.23,959 16.382,960 1.22,961 10.275,962 11.281,963 10.755,964 20.107,965 9.74,966 3.313,967 -0.22,968 18.266,969 0.504,970 11.345,971 12.343,972 12.086,973 22.487,974 10.678,975 3.148,976 11.657,977 20.165,978 -0.515,979 12.541,980 13.793,981 13.424,982 24.935,983 11.829,984 2.539,985 10.723,986 22.075,987 3.834,988 13.674,989 14.957,990 14.762,991 27.35,992 12.855,993 2.293,994 7.063,995 23.994,996 3.164,997 14.855,998 16.365,999 16.102,1000 29.789,1001 13.976,1002 2.236,1003 6.284,1004 25.919,1005 3.147,1006 16.016,1007 17.592,1008 17.443,1009 32.218,1010 15.045,1011 2.036,1012 5.898,1013 27.849,1014 2.71,1015 17.194,1016 18.974,1017 18.784,1018 34.655,1019 16.155,1020 1.775,1021 5.184,1022 29.784,1023 2.355,1024 18.367,1025 20.243,1026 20.125,1027 37.09,1028 17.245,1029 15352,1030 28720,1031 20.572,1032 40.552,1033 48.877,1034 48.512,1035 49.777,1036 48.941,1037 48.535,1038 53.982,1039 12.332,1040 136.125,1041 46.368,1042 5.418,1043 6.46,1044 6.935,1045 5.171,1046 5.313,1047 6.834,1048 5.409,1049 18.533,1050 5.088,1051 22.317,1052 1.481,1053 1.47,1054 1.508,1055 1.483,1056 1.471,1057 1.636,1058 0.374,1059 4.125,1060 1.405,1061 3.999,1062 4.036,1063 3.922,1064 3.911,1065 8.513,1066 3.906,1067 3.933,1068 3.964,1069 3.847,1070 3.844,1071 7.999,1072 3.838,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 7.999,1078 3.6,1079 3.659,1080 3.706,1081 3.543,1082 3.51,1083 7.474,1084 3.505,1085 3.504,1086 3.549,1087 3.375,1088 3.321,1089 6.465,1090 3.32,1091 3.383,1092 3.436,1093 3.334,1094 3.183,1095 6.448,1096 3.19,1097 3.195,1098 3.244,1099 3.037,1100 2.963,1101 6.433,1102 2.969,1103 3.175,1104 3.239,1105 3.014,1106 2.916,1107 6.351,1108 2.94,1109 0.135,1110 0.135,1111 0.215,1112 0.126,1113 0.1,1114 4.439,1115 0.116,1116 4.46,1117 0.116,1118 7.111,1119 0.353,1120 4.171,1121 0.094,1122 3.313,1123 3.834,1124 3.825,1125 11.657,1126 3.088,1127 1.941,1128 1.914,1129 2.075,1130 2.036,1131 1.47,1132 2.047,1133 1.835,1134 1.787,1135 2.045,1136 1.976,1137 1.36,1138 2.002,1139 1.737,1140 1.686,1141 1.956,1142 1.902,1143 1.265,1144 1.921,1145 1.618,1146 1.571,1147 1.847,1148 1.807,1149 1.181,1150 1.818,1151 1.541,1152 1.495,1153 1.767,1154 1.742,1155 1.059,1156 1.749,1157 1.404,1158 1.352,1159 1.667,1160 1.628,1161 0.965,1162 1.635,1163 1.238,1164 1.186,1165 1.507,1166 1.491,1167 0.795,1168 1.478,1169 1.049,1170 0.996,1171 1.335,1172 1.357,1173 0.582,1174 1.334,1175 4.205,1177 5.509,1178 2.398,1179 6.974,1180 4.844,1181 8.517,1182 6.986,1183 10.106,1187 37.903,1189 39.672,1190 6.395,1194 -1.933,1196 -4.361,1199 38.733,1200 100.499,1201 205.252,1202 275.595,1203 339.408,1204 361.673,1205 365.673,1206 160.728,1207 7.098,1208 97.99,1209 97.99,1210 11,1211 12.355,1212 3,1213 2.322,1214 77.363,1215 171,1216 177,1217 0.213,1218 238.066,1219 439.74,1220 572.641,1221 12611,1222 4.5,1223 23.725,1224 0.741,1225 0.572,1226 21.225,1227 18.305,1228 15.074,1229 0.457,1230 0.348,1231 11.339,1232 14.423,1233 11.209,1234 9.19,1235 13.863,1236 11.497,1237 14.247,1238 0.317,1239 0.2,1240 12.289,1241 9.009,1242 9.956,1243 0.195,1244 0.129,1245 9.02,1246 6.58,1247 7.522,1248 0.127,1249 0.08,1250 6.823,1251 4.713,1252 5.446,1253 0.084,1254 0.049,1255 5.182,1256 3.21,1257 0.35,1258 95.583,1259 0.22,1260 31.014,1261 0.541,1262 156,1263 630.668,1264 183.756,1265 515.982,1266 636.22,1267 472,1268 174,1269 403.485,1270 192.782,1271 385.502,1272 574.98,1273 362,1274 5.44}
{0 CHEMBL290571,1 1.274,2 14.31,3 4.319,4 18.649,5 114.325,6 6.069,7 0.2,8 4.244,9 4.369,10 3.583,11 3.735,12 5.232,13 3.671,14 4.84,15 5.028,16 3.909,17 4.165,18 5.8,19 4.051,20 5.228,21 5.478,22 3.928,23 4.33,24 6.08,25 4.17,26 5.306,27 5.584,28 3.836,29 4.317,30 6.158,31 4.125,32 5.272,33 5.565,34 3.805,35 4.252,36 6.065,37 4.066,38 5.198,39 5.467,40 3.847,41 4.205,42 6.125,43 4.045,44 5.205,45 5.478,46 3.747,47 4.183,48 6.123,49 4.006,50 5.149,51 5.439,52 3.674,53 4.125,54 5.964,55 3.942,56 0.097,57 0.855,58 16.641,59 7.311,60 19.426,61 9.782,62 0.253,63 1.418,64 29.62,65 12.269,66 49.973,67 16.999,68 0.437,69 1.812,70 42.983,71 15.685,72 78.039,73 22.443,74 0.608,75 1.856,76 46.006,77 16.169,78 102.735,79 23.55,80 0.502,81 1.754,82 44.197,83 15.257,84 85.795,85 22.349,86 0.576,87 1.649,88 41.82,89 14.22,90 99.895,91 20.611,92 0.65,93 1.629,94 42.09,95 14.06,96 107.362,97 20.445,98 0.484,99 1.54,100 39.171,101 13.368,102 81.286,103 19.551,104 44,105 39,106 0.206,107 0.462,108 0.667,109 0.821,110 0.875,111 0.885,112 3.407,113 1.118,114 -4.21,115 -4.16,116 -3.93,118 35.8,119 1,120 11,121 2,125 3,133 4,134 2,145 1,150 1,153 1,154 18,155 1,158 1,160 1,162 7,164 22,165 1,167 1,170 7,171 20,172 1,175 1,178 1,179 7,180 15,181 1,184 1,189 7,192 13,193 1,196 1,199 1,200 8,202 14,203 1,206 1,209 1,210 7,211 13,212 1,215 1,219 7,222 13,223 1,226 1,230 6,231 1,233 12,234 2,236 1722,237 19.035,238 19.035,239 19.035,240 19.035,241 19.035,242 18.052,243 15.676,244 11.619,245 19.147,246 14.788,247 14.788,248 14.788,249 14.788,250 14.788,251 13.361,252 10.793,253 5.573,254 15.009,255 4.792,256 3.213,257 1.953,258 1,259 0.668,260 0.608,261 4.071,265 1,266 1,267 842,268 4.359,270 100.507,271 114.52,277 2.48,278 39.551,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 63,289 415,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.615,296 2.341,297 10.723,298 3.088,299 4.013,300 3.258,301 5.427,302 3.631,303 2.633,304 3.148,306 7.192,307 2.627,308 3.55,309 2.822,310 5.353,311 3.321,312 2.354,313 2.719,315 6.301,316 2.272,317 3.469,318 2.582,319 5.026,320 3.241,321 2.236,322 2.71,324 5.976,325 2.223,326 3.287,327 2.339,328 4.857,329 3.064,330 2.077,331 2.326,333 5.594,334 2.049,335 3.037,336 2.299,337 4.662,338 2.981,339 2.015,340 2.038,342 5.184,343 1.937,344 2.79,345 1.911,346 4.656,347 2.751,348 1.772,349 1.788,351 4.748,352 1.727,353 2.608,354 1.73,355 3.796,356 2.567,357 1.585,358 1.604,360 3.446,361 1.548,362 2.5,363 1.326,364 3.489,365 2.114,366 1.129,367 1.5,369 2.479,370 1.106,371 2.17,372 1,373 3.414,374 2,375 1,376 1.153,378 2.275,379 1,380 1.911,381 0.995,382 3.223,383 1.845,384 0.849,385 0.883,387 1.916,388 0.844,389 1.638,390 0.829,391 2.951,392 1.537,393 0.563,394 0.591,395 1.267,396 0.544,397 1.307,398 0.609,399 2.619,400 1.232,401 0.241,402 0.248,403 0.527,404 0.237,405 1.032,406 0.311,407 2.364,408 0.827,409 -0.163,410 -0.179,411 -0.365,412 -0.161,413 0.8,414 0.088,415 2.264,416 0.685,417 -0.284,418 -0.306,419 -0.622,420 -0.271,421 13.667,422 0.471,423 0.723,424 0.025,425 23.75,426 0.819,427 7.5,428 0.259,429 16.25,430 0.56,431 36.545,432 1.26,433 35.533,434 0.53,435 15.364,436 0.53,437 3.755,438 0.129,439 10.108,440 0.349,441 0.159,443 0.293,447 0.916,448 1.229,449 1.069,450 1.224,451 0.904,452 1.177,453 0.608,454 1.332,455 1.055,456 1.334,457 0.582,458 1.275,459 0.954,460 1.122,461 1.079,462 1.126,463 0.948,464 1.123,465 0.861,466 1.029,467 1.021,468 1.038,469 0.832,470 1.053,471 0.89,472 0.921,473 0.908,474 0.921,475 0.856,476 0.918,477 1.001,478 1.007,479 0.984,480 1.004,481 0.964,482 0.993,483 1.111,484 0.966,485 1.062,486 0.972,487 1.064,488 1.005,489 0.982,490 0.889,491 0.939,492 0.89,493 0.95,494 0.906,495 6,496 0.204,497 3.111,498 1.889,499 1.152,500 0.837,501 0.533,502 0.34,503 0.286,504 0.285,505 11513,506 27871,507 1.938,508 56.7,509 17,510 7,513 4,514 2,515 6,516 2,517 1.716,518 1.794,519 3.746,520 1.561,525 85.358,526 1.274,527 2.853,528 4.113,529 5.066,530 5.398,531 5.458,532 3.25,533 4.582,534 4.821,535 3.972,536 1612.54,537 8.385,538 23999.3,542 406.428,543 1.475,544 4.773,545 0.2,546 0.007,547 0.08,548 0.051,549 0.036,550 0.026,551 0.016,552 0.012,553 0.01,554 0.01,555 0.447,556 0.17,557 0.88,558 1.81,559 152.543,560 -0.097,561 0.118,562 -0.019,563 0.111,564 -0.098,565 0.065,566 0.074,567 -0.119,568 -0.068,569 -0.123,570 0.091,571 -0.119,572 -0.075,573 -0.082,574 -0.101,575 -0.085,576 -0.082,577 -0.095,578 -0.001,579 -0.053,580 -0.062,581 -0.057,582 -0.006,583 -0.068,584 -0.032,585 0.023,586 0.043,587 0.03,588 -0.032,589 0.046,590 0.007,591 -0.033,592 0.003,593 -0.03,594 0.005,595 -0.016,596 -0.044,597 -0.01,598 -0.07,599 -0.017,600 -0.042,601 -0.044,602 -0.061,603 0.052,604 0.022,605 0.054,606 -0.061,607 0.052,608 2.416,609 4.39,610 0.379,611 38.1,612 0.991,613 1.133,614 2.985,615 8.908,616 0.608,617 3.434,618 3.689,619 3.829,620 3.989,621 4.094,622 4.007,623 3.97,624 4.025,625 4.043,626 4.06,627 8.266,628 0.561,629 406.62,630 3.434,631 4.934,632 5.727,633 6.561,634 7.378,635 8.22,636 9.051,637 9.898,638 10.739,639 11.591,651 4,656 2,658 6,670 67,671 7,672 1,673 30,675 68,676 24,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,691 14,693 7,694 17,695 2,696 1,698 1,701 1,707 38,708 5,709 4,710 5,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,752 1,756 29,759 4,760 11,764 5,773 7.5,774 3,775 1,776 1,779 16.167,780 11.217,781 6.583,782 4.431,785 0.956,786 1.14,787 0.832,788 10.3,789 7.809,790 3.555,791 3.942,792 4.208,793 4.526,794 4.874,795 4.663,796 4.533,797 4.656,798 4.718,799 4.715,800 0.9,801 37,802 10.909,803 4.614,804 7.885,805 21.182,806 17.832,807 2.385,808 69.167,812 400.217,813 81.891,816 195.878,819 81.891,820 596.096,822 8.825,823 27.88,824 165.955,825 68.738,826 6.371,828 400.217,830 400.217,831 81.891,832 195.878,835 306.049,836 161.997,837 128.05,839 36.705,840 45.186,843 400.217,844 195.878,845 81.891,848 400.217,849 35.161,850 46.73,852 195.878,853 400.217,854 195.878,855 81.891,857 0.568,858 0.304,859 0.15,860 0.082,861 14,862 8,863 0.191,864 13,866 1,867 4.175,868 219.46,870 11,871 136.881,874 24.014,875 12.439,876 8.555,878 195.878,879 8.381,884 2.461,886 170.733,887 677.987,888 34,890 10.549,893 -0.75,895 66.425,896 75.936,897 0.21,898 0.47,899 0.678,900 0.835,901 0.89,902 0.9,903 4.783,904 1.585,905 5.687,906 4.748,907 4.369,908 4.625,909 2.258,910 6.405,911 4.338,912 5.898,913 1.129,914 7.195,915 3.446,916 3.892,917 4.248,918 2.243,919 7.182,920 3.81,921 7.138,922 1,923 8.804,924 2.479,925 5.872,926 6.457,927 3.628,928 10.236,929 5.813,930 8.402,931 0.849,932 10.475,933 2.275,934 6.196,935 6.827,936 4.112,937 11.938,938 6.09,939 9.697,940 0.563,941 12.19,942 1.916,943 7.662,944 8.595,945 5.201,946 14.535,947 7.571,948 11.013,949 0.241,950 13.937,951 1.267,952 8.389,953 9.305,954 5.889,955 16.646,956 8.257,957 12.346,958 -0.163,959 15.712,960 0.527,961 9.644,962 10.897,963 6.849,964 19.094,965 9.517,966 3.148,967 -0.284,968 17.51,969 -0.365,970 10.581,971 11.79,972 7.625,973 21.37,974 10.42,975 2.633,976 10.723,977 19.326,978 -0.622,979 11.753,980 13.29,981 8.526,982 23.768,983 11.585,984 2.354,985 7.192,986 21.158,987 3.615,988 12.794,989 14.298,990 9.342,991 26.104,992 12.599,993 2.236,994 6.301,995 23.004,996 3.148,997 13.938,998 15.737,999 10.216,1000 28.486,1001 13.729,1002 2.077,1003 5.976,1004 24.86,1005 2.719,1006 15.03,1007 16.824,1008 11.051,1009 30.845,1010 14.797,1011 2.015,1012 5.594,1013 26.724,1014 2.71,1015 16.166,1016 18.22,1017 11.912,1018 33.22,1019 15.916,1020 1.772,1021 5.184,1022 28.596,1023 2.326,1024 17.284,1025 19.363,1026 12.755,1027 35.587,1028 17.011,1029 11650,1030 18181,1031 19.186,1032 40.739,1033 43.393,1034 43.859,1035 44.709,1036 43.348,1037 43.204,1038 48.645,1039 4.682,1040 115.254,1041 42.404,1042 5.127,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.615,1048 3.925,1049 17.488,1050 5.088,1051 17.994,1052 1.446,1053 1.462,1054 1.49,1055 1.445,1056 1.44,1057 1.622,1058 0.156,1059 3.842,1060 1.413,1061 3.995,1062 4.034,1063 3.896,1064 3.911,1065 7.474,1066 3.903,1067 3.924,1068 3.958,1069 3.835,1070 3.844,1071 6.465,1072 3.837,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 6.448,1078 3.6,1079 3.651,1080 3.7,1081 3.515,1082 3.51,1083 6.433,1084 3.502,1085 3.503,1086 3.548,1087 3.366,1088 3.321,1089 6.351,1090 3.32,1091 3.325,1092 3.397,1093 3.149,1094 3.186,1095 4.739,1096 3.168,1097 3.193,1098 3.243,1099 3.026,1100 2.963,1101 4.207,1102 2.969,1103 3.106,1104 3.183,1105 2.916,1106 2.922,1107 4.05,1108 2.904,1109 0.138,1110 0.12,1111 0.223,1112 0.138,1113 0.105,1114 4.148,1115 0.12,1116 3.596,1117 0.078,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.615,1124 2.341,1125 10.723,1126 3.088,1127 1.948,1128 1.919,1129 2.088,1130 2.034,1131 1.47,1132 2.054,1133 1.836,1134 1.787,1135 2.05,1136 1.976,1137 1.36,1138 2.003,1139 1.738,1140 1.686,1141 1.964,1142 1.901,1143 1.269,1144 1.923,1145 1.619,1146 1.572,1147 1.852,1148 1.807,1149 1.183,1150 1.82,1151 1.546,1152 1.497,1153 1.782,1154 1.741,1155 1.075,1156 1.754,1157 1.408,1158 1.354,1159 1.679,1160 1.627,1161 0.976,1162 1.64,1163 1.268,1164 1.206,1165 1.559,1166 1.482,1167 0.821,1168 1.511,1169 1.087,1170 1.014,1171 1.439,1172 1.351,1173 0.612,1174 1.374,1175 4.111,1177 5.38,1178 2.398,1179 6.81,1180 4.844,1181 8.32,1182 6.986,1183 9.879,1185 2.062,1189 39.784,1190 7.921,1194 -1.241,1199 37.583,1200 85.358,1201 191.182,1202 275.595,1203 339.408,1204 361.673,1205 365.673,1206 113.519,1207 6.852,1208 97.99,1209 97.99,1210 11,1211 12.151,1212 3,1213 2.322,1214 65.821,1215 138,1216 150,1217 0.22,1218 234.471,1219 421.53,1220 563.87,1221 9104,1223 21.225,1224 0.732,1225 0.609,1226 21.225,1227 17.671,1228 13.863,1229 0.462,1230 0.373,1231 11.098,1232 13.508,1233 10.846,1234 8.986,1235 13.863,1236 11.18,1237 12.289,1238 0.315,1239 0.226,1240 12.289,1241 8.8,1242 9.02,1243 0.2,1244 0.143,1245 9.02,1246 6.42,1247 6.823,1248 0.129,1249 0.087,1250 6.823,1251 4.608,1252 5.182,1253 0.088,1254 0.055,1255 5.182,1256 3.222,1257 0.359,1258 86.065,1259 0.228,1260 28.566,1261 0.566,1262 138,1263 354.334,1264 148.739,1265 336.328,1266 428.74,1267 310,1268 153,1269 279.485,1270 161.306,1271 282.402,1272 402.54,1273 266,1274 5.357}
{0 CHEMBL290969,1 1.285,2 13.571,3 3.832,4 14.687,5 109.283,6 6.134,7 0.207,8 4.201,9 4.325,10 3.55,11 3.693,12 5.199,13 3.631,14 4.794,15 4.977,16 3.866,17 4.121,18 5.77,19 4.007,20 5.196,21 5.452,22 3.878,23 4.276,24 6.041,25 4.116,26 5.249,27 5.525,28 3.801,29 4.259,30 6.113,31 4.073,32 5.229,33 5.517,34 3.778,35 4.214,36 6.039,37 4.032,38 5.182,39 5.455,40 3.818,41 4.172,42 6.11,43 4.011,44 5.159,45 5.428,46 3.715,47 4.134,48 6.099,49 3.962,50 5.099,51 5.387,52 3.608,53 4.073,54 5.92,55 3.888,56 0.093,57 0.816,58 15.836,59 6.968,60 19.858,61 9.279,62 0.238,63 1.355,64 28.257,65 11.715,66 51.195,67 16.184,68 0.442,69 1.73,70 41.687,71 14.971,72 81.184,73 21.479,74 0.6,75 1.75,76 43.766,77 15.218,78 103.135,79 22.144,80 0.493,81 1.686,82 42.674,83 14.651,84 87.836,85 21.427,86 0.583,87 1.605,88 41.247,89 13.845,90 104.014,91 20.123,92 0.645,93 1.552,94 40.462,95 13.375,96 110.676,97 19.421,98 0.492,99 1.463,100 37.547,101 12.694,102 83.835,103 18.557,104 33,105 37,106 0.21,107 0.466,108 0.654,109 0.826,110 0.88,111 0.89,112 3.373,113 1.114,114 -4,115 -3.95,116 -3.75,118 35.9,120 11,121 2,125 3,133 5,134 1,145 1,150 1,153 1,154 17,155 1,158 1,160 1,162 7,164 20,165 1,167 1,170 7,171 18,172 1,175 1,178 1,179 7,180 14,181 1,184 1,189 7,192 12,193 1,196 1,199 1,200 8,202 13,203 1,206 1,209 1,210 7,211 13,212 1,215 1,219 6,222 12,223 1,226 1,230 6,231 1,233 11,234 2,236 1576,237 18.587,238 18.587,239 18.587,240 18.587,241 18.587,242 17.629,243 13.25,244 11.533,245 18.7,246 14.321,247 14.321,248 14.321,249 14.321,250 14.321,251 12.957,252 9.322,253 5.538,254 14.543,255 4.715,256 3.151,257 2.007,258 0.953,259 0.625,260 0.563,261 4.039,265 1,266 1,267 772,268 4.301,270 96.089,271 110.654,277 2.469,278 38.691,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 61,289 380,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.445,296 2.341,297 10.723,298 3.088,299 3.902,300 3.258,301 5.371,302 3.551,303 2.558,304 3.148,306 7.027,307 2.543,308 3.55,309 2.77,310 5.345,311 3.265,312 2.299,313 2.71,315 6.281,316 2.224,317 3.349,318 2.522,319 4.989,320 3.241,321 2.236,322 2.369,324 5.885,325 2.209,326 3.043,327 2.31,328 4.662,329 2.995,330 2.036,331 2.08,333 5.184,334 1.948,335 2.904,336 1.911,337 4.657,338 2.754,339 1.774,340 2.021,342 4.75,343 1.731,344 2.788,345 1.732,346 3.797,347 2.575,348 1.591,349 1.787,351 3.447,352 1.558,353 2.607,354 1.584,355 3.639,356 2.484,357 1.488,358 1.603,360 3.142,361 1.479,362 2.5,363 1.324,364 3.464,365 2.109,366 1.124,367 1.5,369 2.458,370 1.101,371 2.167,372 1,373 3.247,374 2,375 1,376 1.15,378 2.136,379 1,380 1.877,381 0.977,382 3.181,383 1.809,384 0.815,385 0.848,387 1.841,388 0.808,389 1.589,390 0.695,391 2.888,392 1.481,393 0.503,394 0.534,395 1.135,396 0.489,397 1.282,398 0.583,399 2.595,400 1.207,401 0.22,402 0.227,403 0.481,404 0.216,405 0.84,406 0.306,407 2.353,408 0.743,409 -0.231,410 -0.235,411 -0.533,412 -0.221,413 0.689,414 0.01,415 2.228,416 0.398,417 -0.553,418 -0.558,419 -1.29,420 -0.488,421 13.167,422 0.47,423 0.617,424 0.022,425 23.25,426 0.83,427 7.5,428 0.268,429 15.75,430 0.563,431 34.15,432 1.22,433 34.233,434 0.535,435 14.879,436 0.531,437 3.714,438 0.133,439 9.755,440 0.348,441 0.127,443 0.266,447 0.917,448 1.217,449 1.056,450 1.212,451 0.899,452 1.164,453 0.613,454 1.378,455 1.084,456 1.381,457 0.591,458 1.32,459 0.942,460 1.086,461 1.05,462 1.09,463 0.933,464 1.088,465 0.873,466 1.013,467 1.013,468 1.022,469 0.839,470 1.038,471 0.895,472 0.94,473 0.925,474 0.941,475 0.86,476 0.938,477 0.976,478 0.974,479 0.954,480 0.971,481 0.94,482 0.96,483 1.12,484 0.965,485 1.068,486 0.971,487 1.066,488 1.006,489 1.005,490 0.883,491 0.969,492 0.888,493 0.976,494 0.918,495 5,496 0.188,497 2.667,498 1.826,499 0.961,500 0.781,501 0.494,502 0.278,503 0.262,504 0.274,505 10438,506 26152,507 1.956,508 56.3,509 14,510 8,513 4,514 2,515 6,516 2,517 1.708,518 1.826,519 3.679,520 1.592,522 1,525 82.231,526 1.285,527 2.849,528 3.993,529 5.047,530 5.375,531 5.437,532 3.231,533 4.522,534 4.771,535 3.913,536 1478.94,537 8.287,538 21379.3,540 1,542 384,543 1.405,544 4.732,545 0.172,546 0.006,547 0.072,548 0.052,549 0.031,550 0.025,551 0.015,552 0.01,553 0.01,554 0.009,555 0.404,556 0.17,557 0.88,558 1.817,559 145.355,560 -0.1,561 0.124,562 -0.021,563 0.116,564 -0.095,565 0.068,566 0.068,567 -0.162,568 -0.105,569 -0.168,570 0.084,571 -0.166,572 -0.07,573 -0.065,574 -0.079,575 -0.067,576 -0.077,577 -0.073,578 -0.004,579 -0.04,580 -0.054,581 -0.045,582 -0.004,583 -0.056,584 -0.037,585 0.008,586 0.027,587 0.014,588 -0.037,589 0.029,590 0.01,591 -0.015,592 0.025,593 -0.01,594 0.007,595 0.007,596 -0.05,597 -0.011,598 -0.076,599 -0.018,600 -0.041,601 -0.047,602 -0.078,603 0.055,604 -0.006,605 0.054,606 -0.083,607 0.038,608 2.416,609 4.346,610 0.393,611 35.847,612 0.993,613 1.133,614 2.774,615 7.692,616 0.609,617 3.401,618 3.638,619 3.784,620 3.951,621 4.025,622 3.932,623 3.932,624 3.951,625 4.007,626 4.025,627 7.987,628 0.563,629 392.59,630 3.401,631 4.89,632 5.68,633 6.509,634 7.323,635 8.161,636 8.99,637 9.836,638 10.675,639 11.527,651 5,656 1,658 6,670 64,671 7,672 1,673 29,675 65,676 23,677 6,678 1,679 5,681 2,682 2,688 3,689 2,691 14,693 7,694 16,695 2,696 1,698 1,701 1,707 36,708 5,709 4,710 5,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,756 28,759 4,760 11,764 5,773 7.8,774 3,775 1,776 1,779 15.333,780 10.3,781 6.417,782 4.236,785 0.919,786 1.136,787 0.829,788 10.142,789 7.676,790 3.526,791 3.882,792 4.139,793 4.45,794 4.736,795 4.432,796 4.458,797 4.518,798 4.656,799 4.652,800 1,801 35,802 10.532,803 4.464,804 7.911,805 20.407,806 17.189,807 2.411,808 67.5,812 376.675,813 79.357,816 195.878,819 79.357,820 572.554,823 27.88,824 175.431,825 68.738,826 3.186,828 376.675,830 376.675,831 79.357,832 195.878,835 282.506,836 161.997,837 128.05,839 27.88,840 51.477,843 376.675,844 195.878,845 79.357,848 376.675,849 31.975,850 47.381,852 195.878,853 376.675,854 195.878,855 79.357,857 0.561,858 0.302,859 0.154,860 0.081,861 13,862 7,863 0.2,864 13,866 1,867 4.113,868 208.5,870 11,871 130.606,874 23.023,875 12.334,876 8.34,878 195.878,879 10.125,884 1.221,886 170.733,887 651.91,888 33,890 10.536,893 -0.75,895 63.541,896 72.521,897 0.214,898 0.475,899 0.666,900 0.841,901 0.896,902 0.906,903 4.741,904 1.488,905 5.624,906 3.447,907 4.317,908 4.564,909 2.258,910 6.333,911 4.284,912 5.836,913 1.124,914 7.122,915 3.142,916 3.761,917 4.034,918 2.243,919 7.096,920 3.668,921 7.059,922 1,923 8.726,924 2.458,925 5.802,926 6.337,927 3.628,928 10.177,929 5.739,930 8.308,931 0.815,932 10.397,933 2.136,934 6.089,935 6.555,936 4.112,937 11.898,938 5.97,939 9.59,940 0.503,941 12.116,942 1.841,943 7.589,944 8.412,945 5.201,946 14.503,947 7.492,948 10.896,949 0.22,950 13.871,951 1.135,952 8.306,953 8.974,954 5.889,955 16.629,956 8.162,957 12.22,958 -0.231,959 15.654,960 0.481,961 9.58,962 10.646,963 6.849,964 19.08,965 9.443,966 3.148,967 -0.553,968 17.46,969 -0.533,970 10.517,971 11.39,972 7.625,973 21.362,974 10.345,975 2.558,976 10.723,977 19.284,978 -1.29,979 11.7,980 12.96,981 8.526,982 23.761,983 11.523,984 2.299,985 7.027,986 21.123,987 3.445,988 12.746,989 13.819,990 9.342,991 26.101,992 12.539,993 2.236,994 6.281,995 22.975,996 3.148,997 13.896,998 15.318,999 10.216,1000 28.483,1001 13.678,1002 2.036,1003 5.885,1004 24.836,1005 2.71,1006 14.993,1007 16.259,1008 11.051,1009 30.843,1010 14.75,1011 1.774,1012 5.184,1013 26.705,1014 2.369,1015 16.135,1016 17.704,1017 11.912,1018 33.219,1019 15.875,1020 1.591,1021 4.75,1022 28.581,1023 2.08,1024 17.256,1025 18.706,1026 12.755,1027 35.586,1028 16.974,1029 10540,1030 16732,1031 18.781,1032 38.978,1033 41.824,1034 42.179,1035 42.69,1036 41.739,1037 41.585,1038 46.844,1039 4.682,1040 108.978,1041 40.786,1042 5.127,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.445,1048 3.925,1049 17.488,1050 5.088,1051 15.881,1052 1.442,1053 1.454,1054 1.472,1055 1.439,1056 1.434,1057 1.615,1058 0.161,1059 3.758,1060 1.406,1061 3.989,1062 4.029,1063 3.883,1064 3.895,1065 7.474,1066 3.887,1067 3.908,1068 3.942,1069 3.821,1070 3.834,1071 6.465,1072 3.826,1073 3.748,1074 3.8,1075 3.61,1076 3.612,1077 6.448,1078 3.599,1079 3.641,1080 3.688,1081 3.504,1082 3.498,1083 6.433,1084 3.49,1085 3.502,1086 3.547,1087 3.365,1088 3.319,1089 6.351,1090 3.318,1091 3.278,1092 3.351,1093 3.093,1094 3.13,1095 4.751,1096 3.111,1097 3.193,1098 3.243,1099 3.024,1100 2.963,1101 4.207,1102 2.969,1103 3.002,1104 3.05,1105 2.842,1106 2.784,1107 4.046,1108 2.781,1109 0.143,1110 0.124,1111 0.23,1112 0.142,1113 0.109,1114 4.148,1115 0.119,1116 3.596,1117 0.081,1118 6.682,1119 0.37,1120 4.13,1121 0.106,1122 3.148,1123 3.445,1124 2.341,1125 10.723,1126 3.088,1127 1.929,1128 1.898,1129 2.078,1130 2.022,1131 1.47,1132 2.043,1133 1.834,1134 1.786,1135 2.047,1136 1.973,1137 1.359,1138 2,1139 1.735,1140 1.683,1141 1.958,1142 1.896,1143 1.261,1144 1.918,1145 1.616,1146 1.569,1147 1.848,1148 1.805,1149 1.178,1150 1.817,1151 1.535,1152 1.487,1153 1.769,1154 1.732,1155 1.045,1156 1.744,1157 1.4,1158 1.348,1159 1.667,1160 1.621,1161 0.956,1162 1.631,1163 1.207,1164 1.142,1165 1.507,1166 1.43,1167 0.783,1168 1.458,1169 1.022,1170 0.965,1171 1.335,1172 1.315,1173 0.579,1174 1.316,1175 4.078,1177 5.333,1178 2.398,1179 6.753,1180 4.844,1181 8.255,1182 6.986,1183 9.806,1189 39.67,1190 7.928,1194 -1.23,1199 36.056,1200 82.231,1201 182.36,1202 255.557,1203 322.98,1204 344,1205 348,1206 107.072,1207 6.757,1208 97.99,1209 97.99,1210 11,1211 12.087,1212 3,1213 2.322,1214 62.154,1215 128,1216 141,1217 0.223,1218 224.879,1219 404.23,1220 540.465,1221 8023,1223 20.355,1224 0.727,1225 0.598,1226 20.355,1227 16.749,1228 13.469,1229 0.464,1230 0.371,1231 10.688,1232 13.114,1233 10.509,1234 8.68,1235 13.469,1236 10.77,1237 11.667,1238 0.315,1239 0.224,1240 11.667,1241 8.3,1242 8.61,1243 0.2,1244 0.143,1245 8.61,1246 6.142,1247 6.681,1248 0.131,1249 0.088,1250 6.681,1251 4.498,1252 4.898,1253 0.089,1254 0.056,1255 4.898,1256 3.057,1257 0.363,1258 83.702,1259 0.231,1260 27.724,1261 0.577,1262 132,1263 346.334,1264 142.739,1265 327.472,1266 416.19,1267 302,1268 146,1269 269.485,1270 154.306,1271 270.683,1272 386.36,1273 256,1274 6.244}
{0 CHEMBL314533,1 1.463,2 15.689,3 7.797,4 60.793,5 177.76,6 7.782,7 0.6,8 4.45,9 4.547,10 4.161,11 4.117,12 5.534,13 4.063,14 4.985,15 5.122,16 4.497,17 4.53,18 6.189,19 4.46,20 5.305,21 5.467,22 4.692,23 4.744,24 6.411,25 4.66,26 5.491,27 5.675,28 4.757,29 4.805,30 6.736,31 4.713,32 5.538,33 5.737,34 4.73,35 4.826,36 6.72,37 4.723,38 5.515,39 5.717,40 4.594,41 4.758,42 6.72,43 4.654,44 5.345,45 5.547,46 4.456,47 4.67,48 6.459,49 4.557,50 5.281,51 5.493,52 4.316,53 4.606,54 6.291,55 4.471,56 0.086,57 1.019,58 17.539,59 7.742,60 18.81,61 9.407,62 0.396,63 1.713,64 29.194,65 13.162,66 63.274,67 16.654,68 0.192,69 2.341,70 43.137,71 18.676,72 53.894,73 23.134,74 0.685,75 2.841,76 56.276,77 21.678,78 160.017,79 25.943,80 0.522,81 2.966,82 65.883,83 24.707,84 121.623,85 29.036,86 0.747,87 2.769,88 61.424,89 23.247,90 173.55,91 27.277,92 0.425,93 2.354,94 48.103,95 19.906,96 103.518,97 24.859,98 0.289,99 2.244,100 45.391,101 19.104,102 74.849,103 24.828,104 37,105 73,106 0.219,107 0.473,108 0.61,109 0.758,110 0.849,111 0.864,112 3.832,113 0.985,114 -6.63,115 -6.45,116 -5.98,118 48.1,119 2,120 2,122 1,124 1,133 21,134 7,135 2,145 2,154 33,157 2,158 6,160 3,162 1,164 39,167 16,170 5,171 33,174 2,175 22,179 5,180 26,184 24,189 5,192 32,196 16,200 3,202 42,206 11,210 1,211 45,215 7,222 41,225 2,226 3,228 1,233 35,236 4184,237 30.194,238 30.194,239 30.194,240 30.194,241 30.194,242 26.144,243 26.02,244 17.582,245 30.402,246 24.656,247 24.656,248 24.656,249 24.656,250 24.656,251 18.5,252 30.29,253 8.283,254 24.995,255 4.84,256 3.142,257 2.225,258 1.235,259 0.627,260 0.525,261 4.54,267 1552,268 4.743,271 644.859,273 144.668,276 434.231,277 2.448,278 52.763,280 0.5,281 0.5,282 0.67,283 0.4,284 0.5,285 0.67,286 1,287 0.6,288 95,289 706,290 4.913,291 4.713,292 7.657,293 4.532,294 3.55,295 4.76,296 1.969,297 13.556,298 3.517,299 4.599,300 4.087,301 7.413,302 4.337,303 3.389,304 4.034,305 1.23,306 12.92,307 3.165,308 4.481,309 3.772,310 6.815,311 4.184,312 3.207,313 3.92,314 0.521,315 11.211,316 3.135,317 4.2,318 3.037,319 6.3,320 3.799,321 2.806,322 3.827,323 0.219,324 9.454,325 2.779,326 4.163,327 2.928,328 6.233,329 3.765,330 2.772,331 3.783,333 9.224,334 2.742,335 3.819,336 2.865,337 5.635,338 3.462,339 2.47,340 3.313,342 7.483,343 2.447,344 3.599,345 2.792,346 5.466,347 3.242,348 2.245,349 2.983,351 6.647,352 2.231,353 3.572,354 2.575,355 5.296,356 3.141,357 2.136,358 2.856,360 6.116,361 2.141,362 3.278,363 2.04,364 4.928,365 2.835,366 1.836,367 2.583,369 5.216,370 1.833,371 2.976,372 1.947,373 4.623,374 2.571,375 1.57,376 2.158,378 4.408,379 1.571,380 2.95,381 1.846,382 4.231,383 2.53,384 1.537,385 2.113,387 3.658,388 1.522,389 2.941,390 1.658,391 4.167,392 2.51,393 1.499,394 2.061,395 3.584,396 1.505,397 2.851,398 1.499,399 3.948,400 2.414,401 1.414,402 1.989,403 3.047,404 1.414,405 2.71,406 1.355,407 3.659,408 2.212,409 1.216,410 1.789,411 2.897,412 1.21,413 2.61,414 1.313,415 3.612,416 2.132,417 1.138,418 1.655,419 2.809,420 1.13,421 21.967,422 0.488,423 1.282,424 0.028,425 63.5,426 1.411,427 36.5,428 0.811,429 27,430 0.6,431 42.52,432 0.945,433 45.833,434 0.58,435 60.268,436 1.339,437 12.244,438 0.272,439 9.404,440 0.209,441 0.106,442 0.061,443 0.269,447 0.476,448 1.089,449 0.797,450 1.051,451 0.591,452 0.888,453 0.463,454 0.988,455 0.832,456 0.936,457 0.523,458 0.92,459 0.848,460 1.214,461 0.925,462 1.107,463 0.84,464 1.043,465 1.317,466 1.089,467 1.094,468 1.025,469 1.199,470 1.01,471 1.343,472 1.05,473 1.261,474 1.131,475 1.234,476 0.978,477 1.743,478 0.889,479 1.165,480 0.927,481 1.769,482 0.944,483 1.151,484 0.942,485 1.006,486 0.958,487 1.182,488 1,489 0.749,490 1.084,491 1.033,492 1.108,493 0.774,494 1.122,495 9.5,496 0.364,497 6.889,498 4.188,499 3.076,500 2.437,501 1.24,502 0.877,503 0.565,504 0.418,505 37270,506 93003,507 2.095,508 43,509 10,510 23,513 1,517 1.827,518 1.957,519 3.85,520 -0.473,525 115.604,526 1.463,527 3.161,528 4.079,529 5.069,530 5.677,531 5.778,532 3.288,533 5.12,534 5.467,535 4.1,536 4059.28,537 9.685,538 76046.8,542 497.999,543 1.567,544 5.413,545 0.19,546 0.007,547 0.094,548 0.05,549 0.036,550 0.029,551 0.017,552 0.013,553 0.01,554 0.008,555 0.453,556 0.17,557 0.63,558 0.51,559 262.708,560 0.088,561 -0.039,562 0.165,563 -0.018,564 -0.1,565 0.042,566 0.301,567 0.048,568 0.058,569 0.026,570 0.166,571 0.011,572 0.014,573 -0.202,574 0.026,575 -0.123,576 -0.014,577 -0.088,578 -0.01,579 -0.038,580 -0.046,581 -0.039,582 0.054,583 -0.074,584 -0.097,585 -0.016,586 -0.07,587 -0.055,588 0.002,589 0.002,590 -0.239,591 0.091,592 -0.108,593 0.071,594 -0.172,595 0.02,596 -0.117,597 0.019,598 -0.067,599 0.011,600 -0.095,601 -0.017,602 -0.03,603 -0.128,604 -0.107,605 -0.129,606 -0.042,607 -0.114,608 5.108,609 6.874,610 0.756,611 53.933,612 0.997,613 1.106,614 5.398,615 29.139,616 0.705,617 3.932,618 4.304,619 4.605,620 4.86,621 5.112,622 5.165,623 5.352,624 5.485,625 5.617,626 5.743,627 9.229,628 0.665,629 614.81,630 3.932,631 5.509,632 6.382,633 7.284,634 8.174,635 9.078,636 9.974,637 10.879,638 11.778,639 12.683,640 2.5,644 2,651 21,656 9,658 30,662 1,670 79,671 34,672 5,673 50,675 84,676 38,677 30,678 9,679 21,680 1,681 6,682 9,685 2,686 1,688 2,691 2,693 32,694 6,696 4,697 1,698 4,701 2,707 34,708 6,709 1,710 7,711 1,714 2,717 0.667,718 4,731 5,733 1,736 2,748 4,750 1,752 2,756 45,758 1,760 3,761 1,765 1,766 1,773 5.1,776 4,779 23,780 14.783,781 9.653,782 4.714,785 5.834,786 1.623,787 1.012,788 8.355,789 15.192,790 4.248,791 4.879,792 5.439,793 5.987,794 6.514,795 6.667,796 7.089,797 7.443,798 7.834,799 8.182,800 1,801 84,802 17.179,803 7.93,804 7.8,805 32.024,806 27.295,807 2.3,808 103.5,812 388.446,813 265.65,814 19.529,816 94.603,818 5.807,819 259.842,820 483.049,821 19.529,822 17.65,823 26.704,824 204.809,825 104.012,826 26.607,828 388.446,830 388.446,831 279.371,832 94.603,833 5.807,835 388.446,836 94.603,839 44.354,840 235.017,841 5.807,843 388.446,844 114.132,845 265.65,847 5.807,848 388.446,849 43.191,850 219.776,851 16.405,852 94.603,853 388.446,854 114.132,855 265.65,857 0.593,858 0.357,859 0.192,860 0.106,861 36,862 16,863 0.083,864 7,865 2,866 1.118,867 5.127,868 495.11,869 0.118,870 34,871 235.133,873 1,874 30.368,875 12.381,876 6.162,878 114.132,879 39.058,884 6.543,886 16.405,887 768.228,888 69,889 -4.191,890 54.289,893 -0.661,895 78.727,896 87.397,897 0.232,898 0.502,899 0.647,900 0.804,901 0.901,902 0.917,903 5.507,904 2.136,905 6.415,906 6.647,907 4.99,908 5.568,909 2.405,910 7.318,911 4.961,912 6.751,913 1.836,914 8.043,915 6.116,916 4.796,917 5.515,918 1.668,919 8.632,920 4.723,921 8.1,922 1.57,923 9.793,924 5.216,925 6.723,926 7.83,927 3.234,928 11.721,929 6.643,930 9.491,931 1.537,932 11.619,933 4.408,934 7.372,935 8.604,936 3.17,937 13.856,938 7.244,939 10.92,940 1.499,941 13.494,942 3.658,943 8.819,944 10.425,945 4.334,946 16.56,947 8.679,948 12.375,949 1.414,950 15.403,951 3.584,952 9.813,953 11.575,954 4.608,955 18.974,956 9.632,957 13.851,958 1.216,959 17.335,960 3.047,961 11.102,962 13.207,963 5.562,964 21.579,965 10.904,966 3.55,967 1.138,968 19.285,969 2.897,970 12.236,971 14.542,972 6.015,973 24.093,974 12.005,975 3.389,976 13.556,977 21.248,978 2.809,979 13.477,980 16.101,981 6.851,982 26.675,983 13.228,984 3.207,985 12.92,986 23.221,987 4.76,988 14.669,989 17.532,990 7.402,991 29.229,992 14.393,993 2.806,994 11.211,995 25.202,996 4.034,997 15.9,998 19.067,999 8.171,1000 31.808,1001 15.606,1002 2.772,1003 9.454,1004 27.19,1005 3.92,1006 17.116,1007 20.549,1008 8.776,1009 34.38,1010 16.802,1011 2.47,1012 9.224,1013 29.183,1014 3.827,1015 18.348,1016 22.081,1017 9.507,1018 36.961,1019 18.017,1020 2.245,1021 7.483,1022 31.181,1023 3.783,1024 19.576,1025 23.592,1026 10.142,1027 39.541,1028 19.23,1029 34533,1030 54790,1031 33.285,1032 55.659,1033 77.145,1034 78.929,1035 78.21,1036 76.272,1037 76.197,1038 102.565,1039 7.879,1040 229.654,1041 75.327,1042 5.828,1043 6.713,1044 7.459,1045 5.597,1046 5.55,1047 7.76,1048 3.473,1049 21.753,1050 5.517,1051 22.477,1052 1.543,1053 1.579,1054 1.564,1055 1.525,1056 1.524,1057 2.051,1058 0.158,1059 4.593,1060 1.507,1061 4.134,1062 4.135,1063 4.739,1064 4.111,1065 7.718,1066 4.057,1067 4.027,1068 4.041,1069 4.006,1070 3.965,1071 7.429,1072 3.953,1073 3.947,1074 3.974,1075 3.883,1076 3.89,1077 7.425,1078 3.884,1079 3.86,1080 3.876,1081 3.869,1082 3.815,1083 6.999,1084 3.789,1085 3.829,1086 3.848,1087 3.774,1088 3.782,1089 4.829,1090 3.763,1091 3.65,1092 3.677,1093 3.625,1094 3.553,1095 4.752,1096 3.521,1097 3.509,1098 3.526,1099 3.46,1100 3.409,1101 4.74,1102 3.367,1103 3.399,1104 3.449,1105 3.325,1106 3.237,1107 4.667,1108 3.233,1109 0.098,1110 0.094,1111 0.153,1112 0.091,1113 0.071,1114 4.913,1115 0.095,1116 4.713,1117 0.039,1118 7.657,1119 0.271,1120 4.532,1121 0.07,1122 3.55,1123 4.76,1124 1.969,1125 13.556,1126 3.517,1127 2.038,1128 2.033,1129 2.117,1130 2.111,1131 1.336,1132 2.123,1133 1.997,1134 1.976,1135 2.076,1136 2.073,1137 1.272,1138 2.091,1139 1.946,1140 1.92,1141 2.068,1142 2.026,1143 1.236,1144 2.042,1145 1.85,1146 1.827,1147 1.962,1148 1.924,1149 1.095,1150 1.942,1151 1.81,1152 1.797,1153 1.9,1154 1.889,1155 1.054,1156 1.915,1157 1.598,1158 1.568,1159 1.802,1160 1.759,1161 0.893,1162 1.776,1163 1.411,1164 1.42,1165 1.643,1166 1.581,1167 0.833,1168 1.626,1169 1.381,1170 1.32,1171 1.496,1172 1.562,1173 0.673,1174 1.587,1175 4.615,1177 5.974,1179 7.534,1181 9.181,1183 10.873,1185 3.4,1190 1.989,1191 2.31,1195 1.824,1196 -1.062,1199 52.518,1200 115.604,1201 249.747,1202 322.211,1203 400.45,1204 448.489,1205 456.489,1206 112.102,1207 9.358,1208 83.55,1209 91.93,1210 38,1211 13.203,1212 5.129,1213 4.322,1214 68.501,1215 256,1216 248,1217 0.13,1218 321.858,1219 568.09,1220 777.093,1221 214955,1223 31.606,1224 0.702,1225 0.579,1226 31.856,1227 26.051,1228 21.648,1229 0.433,1230 0.328,1231 14.972,1232 20.517,1233 14.386,1234 11.959,1235 22.469,1236 16.421,1237 20.338,1238 0.279,1239 0.184,1240 21.62,1241 13.447,1242 17.43,1243 0.176,1244 0.1,1245 18.527,1246 9.901,1247 14.354,1248 0.112,1249 0.056,1250 15.602,1251 7.158,1252 12.011,1253 0.073,1254 0.032,1255 13.127,1256 5.215,1257 0.207,1258 141.171,1259 0.173,1260 39.38,1261 0.347,1262 246,1263 651.781,1264 296.085,1265 665.902,1266 913.43,1267 616,1268 295,1269 648.897,1270 356.602,1271 703.788,1272 1030.68,1273 661,1274 5.301}
{0 CHEMBL315391,1 1.452,2 16.37,3 8.253,4 68.115,5 182.361,6 7.669,7 0.588,8 4.483,9 4.582,10 4.179,11 4.145,12 5.555,13 4.089,14 5.023,15 5.164,16 4.512,17 4.558,18 6.207,19 4.485,20 5.346,21 5.513,22 4.691,23 4.768,24 6.427,25 4.675,26 5.542,27 5.747,28 4.753,29 4.82,30 6.741,31 4.721,32 5.529,33 5.718,34 4.744,35 4.85,36 6.708,37 4.75,38 5.578,39 5.781,40 4.623,41 4.81,42 6.769,43 4.704,44 5.417,45 5.629,46 4.501,47 4.724,48 6.494,49 4.596,50 5.354,51 5.576,52 4.368,53 4.642,54 6.366,55 4.499,56 0.093,57 1.062,58 18.555,59 8.119,60 18.969,61 9.99,62 0.409,63 1.788,64 31.026,65 13.854,66 64.216,67 17.703,68 0.206,69 2.446,70 45.677,71 19.632,72 55.005,73 24.609,74 0.789,75 2.986,76 61.759,77 23.038,78 171.074,79 28.172,80 0.467,81 2.941,82 65.593,83 24.812,84 112.044,85 29.224,86 0.809,87 2.928,88 63.536,89 24.176,90 183.356,91 28.969,92 0.404,93 2.559,94 52.687,95 21.666,96 98.064,97 27.537,98 0.353,99 2.423,100 51.566,101 20.878,102 86.657,103 26.871,104 37,105 74,106 0.216,107 0.471,108 0.613,109 0.765,110 0.852,111 0.866,112 3.853,113 0.993,114 -6.8,115 -6.61,116 -6.13,118 47.6,119 2,120 3,122 1,124 1,133 21,134 7,135 2,145 2,154 34,157 2,158 6,160 3,162 1,164 40,167 16,170 5,171 33,174 2,175 21,179 4,180 28,184 24,189 5,192 35,196 15,200 4,202 44,206 12,210 2,211 43,215 9,222 38,225 2,226 5,228 1,233 34,236 4584,237 30.824,238 30.824,239 30.824,240 30.824,241 30.824,242 26.736,243 26.436,244 18.029,245 31.032,246 25.179,247 25.179,248 25.179,249 25.179,250 25.179,251 18.986,252 28.571,253 8.547,254 25.518,255 4.905,256 3.186,257 2.235,258 1.214,259 0.628,260 0.531,261 4.561,267 1654,268 4.848,271 671.003,273 149.847,276 449.48,277 2.642,278 52.889,280 0.5,281 0.5,282 0.67,283 0.6,284 0.5,285 0.67,286 1,287 0.63,288 97,289 753,290 4.91,291 4.713,292 7.458,293 4.458,294 3.501,295 4.759,296 1.886,297 13.135,298 3.407,299 4.482,300 3.951,301 7.235,302 4.286,303 3.31,304 4.034,305 1.23,306 12.172,307 3.152,308 4.439,309 3.772,310 6.815,311 4.184,312 3.207,313 3.846,314 0.521,315 11.211,316 3.134,317 4.195,318 3.037,319 6.3,320 3.798,321 2.804,322 3.784,324 9.454,325 2.778,326 4.162,327 2.876,328 6.228,329 3.762,330 2.77,331 3.622,333 9.21,334 2.739,335 3.839,336 2.813,337 5.635,338 3.465,339 2.472,340 3.345,342 7.482,343 2.453,344 3.807,345 2.783,346 5.369,347 3.421,348 2.422,349 3.281,351 6.874,352 2.417,353 3.583,354 2.577,355 5.302,356 3.235,357 2.239,358 2.857,360 6.631,361 2.226,362 3.28,363 2.347,364 4.975,365 2.842,366 1.843,367 2.584,369 5.343,370 1.839,371 2.976,372 2.039,373 4.625,374 2.571,375 1.57,376 2.158,378 4.412,379 1.571,380 2.955,381 1.847,382 4.482,383 2.54,384 1.538,385 2.113,387 3.943,388 1.536,389 2.941,390 1.658,391 4.171,392 2.528,393 1.526,394 2.092,395 3.59,396 1.521,397 2.851,398 1.511,399 3.983,400 2.414,401 1.414,402 1.989,403 3.048,404 1.414,405 2.763,406 1.499,407 3.659,408 2.356,409 1.353,410 1.83,411 3.022,412 1.35,413 2.686,414 1.355,415 3.615,416 2.193,417 1.191,418 1.697,419 2.862,420 1.192,421 22.467,422 0.488,423 1.309,424 0.028,425 64,426 1.391,427 36.5,428 0.793,429 27.5,430 0.598,431 44.761,432 0.973,433 47.133,434 0.575,435 60.541,436 1.316,437 12.285,438 0.267,439 9.836,440 0.214,441 0.104,442 0.059,443 0.263,447 0.478,448 1.098,449 0.807,450 1.059,451 0.589,452 0.902,453 0.463,454 1.001,455 0.841,456 0.949,457 0.519,458 0.936,459 0.846,460 1.253,461 0.96,462 1.15,463 0.843,464 1.094,465 1.343,466 0.97,467 1.039,468 0.919,469 1.221,470 0.911,471 1.297,472 1.109,473 1.331,474 1.217,475 1.192,476 1.019,477 1.815,478 0.902,479 1.117,480 0.895,481 1.867,482 0.965,483 1.031,484 0.998,485 1.009,486 1.006,487 1.035,488 1.029,489 0.854,490 1.066,491 1.081,492 1.111,493 0.869,494 1.085,495 10,496 0.401,497 6.444,498 3.938,499 3.378,500 2.382,501 1.261,502 0.929,503 0.59,504 0.457,505 40155,506 98344,507 2.093,508 43.9,509 12,510 23,513 1,517 1.832,518 1.957,519 3.9,520 -0.479,525 119.071,526 1.452,527 3.171,528 4.122,529 5.144,530 5.729,531 5.827,532 3.342,533 5.176,534 5.497,535 4.162,536 4307.43,537 9.746,538 82632.2,542 521.319,543 1.551,544 5.446,545 0.196,546 0.007,547 0.087,548 0.047,549 0.04,550 0.027,551 0.016,552 0.013,553 0.01,554 0.008,555 0.453,556 0.17,557 0.63,558 0.503,559 271.016,560 0.089,561 -0.037,562 0.163,563 -0.015,564 -0.095,565 0.042,566 0.301,567 0.04,568 0.056,569 0.021,570 0.17,571 0.007,572 0.014,573 -0.239,574 -0.006,575 -0.162,576 -0.021,577 -0.132,578 -0.009,579 0.079,580 0.026,581 0.07,582 0.053,583 0.038,584 -0.083,585 -0.072,586 -0.119,587 -0.12,588 0.02,589 -0.041,590 -0.261,591 0.072,592 -0.122,593 0.065,594 -0.214,595 -0.014,596 -0.074,597 -0.025,598 -0.043,599 -0.022,600 -0.054,601 -0.037,602 -0.032,603 -0.096,604 -0.075,605 -0.097,606 -0.033,607 -0.073,608 5.092,609 6.886,610 0.739,611 58.681,612 0.995,613 1.107,614 5.571,615 31.04,616 0.7,617 3.951,618 4.317,619 4.595,620 4.86,621 5.118,622 5.159,623 5.352,624 5.497,625 5.617,626 5.737,627 9.553,628 0.659,629 628.84,630 3.951,631 5.525,632 6.389,633 7.288,634 8.169,635 9.071,636 9.959,637 10.862,638 11.754,639 12.657,640 2.4,644 2,651 21,656 9,658 30,662 1,670 82,671 34,672 5,673 51,675 87,676 39,677 30,678 9,679 21,680 1,681 6,682 9,685 2,686 1,688 2,691 3,693 32,694 7,696 4,697 1,698 4,701 2,707 36,708 6,709 1,710 7,711 1,714 2,717 0.667,718 4,731 5,733 1,736 2,748 4,750 1,752 2,756 46,758 1,760 4,761 1,765 1,766 1,773 4.9,776 4,779 23.5,780 15.283,781 9.861,782 4.901,785 5.817,786 1.619,787 1.008,788 8.842,789 15.209,790 4.263,791 4.887,792 5.426,793 5.972,794 6.505,795 6.644,796 7.067,797 7.443,798 7.829,799 8.158,800 0.909,801 83,802 17.554,803 8.061,804 7.783,805 32.84,806 27.965,807 2.283,808 105,812 411.989,813 268.184,814 19.529,816 94.603,818 5.807,819 262.377,820 506.591,821 19.529,822 17.65,823 29.239,824 204.809,825 104.012,826 26.607,828 411.989,830 411.989,831 281.906,832 94.603,833 5.807,835 411.989,836 94.603,839 46.889,840 235.017,841 5.807,843 411.989,844 114.132,845 268.184,847 5.807,848 411.989,849 45.725,850 219.776,851 16.405,852 94.603,853 411.989,854 114.132,855 268.184,857 0.592,858 0.349,859 0.189,860 0.106,861 36,862 16,863 0.092,864 8,865 2,866 1.118,867 5.239,868 504.823,869 0.118,870 34,871 242.084,873 1,874 31.326,875 12.983,876 6.81,878 114.132,879 39.556,884 6.811,886 16.405,887 794.305,888 70,889 -4.176,890 54.347,893 -0.615,895 81.61,896 90.813,897 0.228,898 0.499,899 0.648,900 0.809,901 0.901,902 0.917,903 5.519,904 2.239,905 6.418,906 6.874,907 5.004,908 5.576,909 2.318,910 7.303,911 4.975,912 6.76,913 1.843,914 8.032,915 6.631,916 4.796,917 5.515,918 1.668,919 8.57,920 4.723,921 8.103,922 1.57,923 9.764,924 5.343,925 6.72,926 7.826,927 3.065,928 11.635,929 6.64,930 9.488,931 1.538,932 11.569,933 4.412,934 7.34,935 8.584,936 3.035,937 13.71,938 7.208,939 10.908,940 1.526,941 13.422,942 3.943,943 8.783,944 10.406,945 4.069,946 16.383,947 8.638,948 12.354,949 1.414,950 15.306,951 3.59,952 9.747,953 11.544,954 4.359,955 18.742,956 9.552,957 13.82,958 1.353,959 17.214,960 3.048,961 11.026,962 13.177,963 5.205,964 21.311,965 10.81,966 3.501,967 1.191,968 19.137,969 3.022,970 12.135,971 14.506,972 5.662,973 23.776,974 11.875,975 3.31,976 13.135,977 21.074,978 2.862,979 13.362,980 16.067,981 6.408,982 26.319,983 13.075,984 3.207,985 12.172,986 23.019,987 4.759,988 14.532,989 17.496,990 6.951,991 28.828,992 14.206,993 2.804,994 11.211,995 24.973,996 4.034,997 15.747,998 19.033,999 7.645,1000 31.368,1001 15.39,1002 2.77,1003 9.454,1004 26.933,1005 3.846,1006 16.944,1007 20.517,1008 8.231,1009 33.898,1010 16.552,1011 2.472,1012 9.21,1013 28.898,1014 3.784,1015 18.159,1016 22.051,1017 8.898,1018 36.441,1019 17.736,1020 2.422,1021 7.482,1022 30.868,1023 3.622,1024 19.37,1025 23.565,1026 9.507,1027 38.982,1028 18.914,1029 37227,1030 58501,1031 33.978,1032 57.421,1033 78.254,1034 80.097,1035 79.111,1036 77.236,1037 77.166,1038 103.491,1039 7.275,1040 230.547,1041 76.297,1042 5.836,1043 6.713,1044 7.26,1045 5.523,1046 5.501,1047 7.759,1048 3.272,1049 21.206,1050 5.407,1051 22.807,1052 1.534,1053 1.571,1054 1.551,1055 1.514,1056 1.513,1057 2.029,1058 0.143,1059 4.521,1060 1.496,1061 4.133,1062 4.135,1063 4.739,1064 4.11,1065 7.718,1066 4.056,1067 4.027,1068 4.04,1069 4.006,1070 3.965,1071 7.429,1072 3.953,1073 3.939,1074 3.97,1075 3.874,1076 3.879,1077 7.425,1078 3.871,1079 3.865,1080 3.879,1081 3.861,1082 3.818,1083 6.999,1084 3.791,1085 3.831,1086 3.853,1087 3.774,1088 3.782,1089 4.829,1090 3.765,1091 3.704,1092 3.742,1093 3.633,1094 3.6,1095 4.752,1096 3.592,1097 3.564,1098 3.564,1099 3.568,1100 3.484,1101 4.74,1102 3.417,1103 3.399,1104 3.45,1105 3.325,1106 3.237,1107 4.667,1108 3.233,1109 0.096,1110 0.092,1111 0.146,1112 0.087,1113 0.069,1114 4.91,1115 0.093,1116 4.713,1117 0.037,1118 7.458,1119 0.258,1120 4.458,1121 0.067,1122 3.501,1123 4.759,1124 1.886,1125 13.135,1126 3.407,1127 2.037,1128 2.032,1129 2.117,1130 2.111,1131 1.336,1132 2.123,1133 1.996,1134 1.976,1135 2.079,1136 2.071,1137 1.308,1138 2.09,1139 1.939,1140 1.91,1141 2.071,1142 2.025,1143 1.258,1144 2.043,1145 1.85,1146 1.828,1147 1.962,1148 1.925,1149 1.096,1150 1.945,1151 1.814,1152 1.8,1153 1.903,1154 1.898,1155 1.055,1156 1.92,1157 1.692,1158 1.653,1159 1.886,1160 1.83,1161 1,1162 1.849,1163 1.428,1164 1.45,1165 1.643,1166 1.598,1167 0.833,1168 1.64,1169 1.381,1170 1.32,1171 1.496,1172 1.564,1173 0.673,1174 1.587,1175 4.635,1177 5.989,1179 7.538,1181 9.173,1183 10.851,1185 3.479,1190 2.39,1191 2.331,1195 1.827,1196 -0.95,1199 54.045,1200 119.071,1201 260.029,1202 338.022,1203 421.77,1204 469.809,1205 477.809,1206 116.108,1207 9.391,1208 83.55,1209 91.93,1210 38,1211 13.179,1212 5.129,1213 4.322,1214 70.857,1215 269,1216 278,1217 0.127,1218 331.45,1219 585.39,1220 800.498,1221 227168,1223 32.313,1224 0.702,1225 0.582,1226 32.563,1227 26.758,1228 22.121,1229 0.434,1230 0.331,1231 15.429,1232 20.99,1233 14.818,1234 12.334,1235 22.942,1236 16.878,1237 20.879,1238 0.282,1239 0.189,1240 22.161,1241 14.002,1242 17.376,1243 0.177,1244 0.101,1245 18.473,1246 9.941,1247 14.455,1248 0.113,1249 0.058,1250 15.709,1251 7.39,1252 12.208,1253 0.074,1254 0.032,1255 13.32,1256 5.385,1257 0.203,1258 144.01,1259 0.172,1260 40.215,1261 0.338,1262 250,1263 655.781,1264 300.085,1265 670.416,1266 917.35,1267 620,1268 297,1269 648.897,1270 358.602,1271 704.84,1272 1029.44,1273 661,1274 5.886}
{0 CHEMBL315519,1 1.566,2 15.813,3 4.3755,4 19.1435,5 115.747,6 7.073,7 0.182,8 4.213,9 4.325,10 3.68,11 3.686,12 5.415,13 3.663,14 4.74,15 4.897,16 3.995,17 4.095,18 5.903,19 4.027,20 5.123,21 5.347,22 4.047,23 4.251,24 6.164,25 4.15,26 5.18,27 5.423,28 3.99,29 4.23,30 6.287,31 4.109,32 5.127,33 5.385,34 3.921,35 4.158,36 6.186,37 4.037,38 5.051,39 5.29,40 3.96,41 4.105,42 6.253,43 4.004,44 5.074,45 5.316,46 3.817,47 4.093,48 6.151,49 3.969,50 5.052,51 5.32,52 3.759,53 4.053,54 6.033,55 3.917,56 0.195,57 0.852,58 14.066,59 6.344,60 43.819,61 7.949,62 0.301,63 1.336,64 24.54,65 10.551,66 77.608,67 14.045,68 0.61,69 1.67,70 39.249,71 13.574,72 128.457,73 19.13,74 0.85,75 1.684,76 42.605,77 13.764,78 155.167,79 19.93,80 0.738,81 1.573,82 40.739,83 12.926,84 141.254,85 18.909,86 0.79,87 1.472,88 37.366,89 12.068,90 162.964,91 17.416,92 0.841,93 1.469,94 38.738,95 12.069,96 160.5,97 17.345,98 0.749,99 1.428,100 38.206,101 11.794,102 144.152,103 17.422,104 63,105 43,106 0.254,107 0.593,108 0.802,109 0.922,110 0.933,111 0.933,112 3.501,113 0.982,114 -2.82,115 -2.83,116 -2.74,118 36.5,120 7,121 2,125 3,129 4,133 3,134 1,135 2,145 1,150 1,151 1,153 1,154 13,155 1,156 1,158 3,159 1,160 1,162 9,164 16,165 1,167 2,170 9,171 15,172 1,173 2,175 2,177 1,178 1,179 9,180 13,181 3,182 1,184 2,189 6,191 1,192 10,193 2,194 1,196 2,199 2,200 9,201 1,202 12,203 2,204 1,206 1,209 1,210 7,211 11,212 2,213 1,215 2,217 1,219 7,222 10,223 2,226 2,230 6,231 1,232 1,233 8,234 2,235 1,236 2126,237 21.112,238 21.112,239 21.112,240 21.112,241 21.112,242 19.239,243 24.686,244 12.913,245 21.296,246 16.231,247 16.231,248 16.231,249 16.231,250 16.231,251 13.652,252 22.728,253 6.076,254 16.585,255 4.411,256 2.321,257 1.032,258 0.286,259 0.222,260 0.222,261 4.167,265 1,266 1,267 1023,268 4.637,270 112.581,271 127.006,277 2.5,278 51.954,280 1,281 0.67,282 0.83,283 1,284 1,285 0.67,287 0.74,288 71.5,289 506,290 4.253,291 3.596,292 6.682,293 4.13,294 3.148,295 3.913,296 2.341,297 10.723,298 3.088,299 4.172,300 3.336,301 6.072,302 3.851,303 2.873,304 3.21,305 0.765,306 8.774,307 2.807,308 3.671,309 3.092,310 5.354,311 3.346,312 2.382,313 3.042,315 6.659,316 2.291,317 3.552,318 2.8,319 5.254,320 3.241,321 2.236,322 2.713,324 6.292,325 2.223,326 3.481,327 2.444,328 5.015,329 3.187,330 2.221,331 2.562,333 5.922,334 2.14,335 3.208,336 2.377,337 4.663,338 2.994,339 2.036,340 2.268,342 5.184,343 1.946,344 2.998,345 2.147,346 4.657,347 2.754,348 1.774,349 2.039,351 4.753,352 1.73,353 2.959,354 1.912,355 4.186,356 2.572,357 1.59,358 1.998,360 3.794,361 1.553,362 2.847,363 1.799,364 3.796,365 2.438,366 1.473,367 1.947,369 3.445,370 1.413,371 2.687,372 1.53,373 3.493,374 2.138,375 1.146,376 1.672,378 2.483,379 1.134,380 2.341,381 1.168,382 3.297,383 2.098,384 1.107,385 1.26,387 2.104,388 1.091,389 2.18,390 1.097,391 3.166,392 1.836,393 0.841,394 1.031,395 1.783,396 0.835,397 1.807,398 0.863,399 2.961,400 1.56,401 0.588,402 0.675,403 1.278,404 0.567,405 1.44,406 0.721,407 2.64,408 1.247,409 0.256,410 0.286,411 0.56,412 0.252,413 1.316,414 0.418,415 2.399,416 0.899,417 -0.069,418 -0.08,419 -0.145,420 -0.066,421 14.7,422 0.459,423 0.774,424 0.024,425 30.75,426 0.961,427 12.5,428 0.391,429 18.25,430 0.57,431 34.505,432 1.078,433 37.5,434 0.595,435 25.542,436 0.798,437 5.993,438 0.187,439 9.319,440 0.291,441 0.163,443 0.306,447 0.888,448 1.033,449 0.911,450 1.098,451 0.862,452 1.033,453 0.607,454 1.301,455 0.951,456 1.371,457 0.566,458 1.266,459 0.933,460 1.103,461 1.007,462 1.136,463 0.879,464 1.104,465 0.891,466 1.021,467 1.003,468 1.058,469 0.832,470 1.064,471 0.888,472 0.934,473 0.923,474 0.968,475 0.878,476 0.961,477 0.805,478 0.994,479 0.9,480 1.046,481 0.738,482 1.006,483 1.077,484 0.962,485 1.105,486 1.024,487 0.989,488 1.071,489 0.913,490 0.858,491 0.951,492 0.904,493 0.904,494 0.936,495 6.5,496 0.257,497 3.556,498 2.326,499 1.383,500 1.094,501 0.614,502 0.34,503 0.311,504 0.36,505 14966,506 49904,507 1.926,508 49.2,509 8,510 10,513 5,514 2,515 4,516 2,517 1.741,518 1.778,519 3.867,520 2.376,525 98.682,526 1.566,527 3.656,528 4.945,529 5.692,530 5.755,531 5.755,532 3.379,533 4.688,534 4.964,535 4.093,536 2030.37,537 8.669,538 32656.3,542 376.569,543 1.494,544 4.911,545 0.197,546 0.007,547 0.083,548 0.054,549 0.035,550 0.03,551 0.016,552 0.011,553 0.01,554 0.01,555 0.453,556 0.17,557 0.88,558 1.917,559 173.987,560 -0.077,561 0.262,562 -0.029,563 0.151,564 -0.085,565 0.075,566 0.067,567 -0.114,568 -0.077,569 -0.166,570 0.089,571 -0.158,572 -0.083,573 -0.101,574 -0.062,575 -0.08,576 -0.078,577 -0.07,578 -0.012,579 -0.067,580 -0.04,581 -0.049,582 -0.01,583 -0.053,584 -0.035,585 -0.002,586 0.043,587 0.024,588 -0.041,589 0.046,590 0.094,591 -0.037,592 0.067,593 -0.037,594 0.124,595 0.004,596 -0.096,597 -0.026,598 -0.123,599 -0.034,600 -0.077,601 -0.078,602 -0.053,603 0.053,604 0.022,605 0.067,606 -0.073,607 0.061,608 2.489,609 4.316,610 0.344,611 44.02,612 1.01,613 1.136,614 1.589,615 2.526,616 0.625,617 3.526,618 3.784,619 3.951,620 4.127,621 4.22,622 4.205,623 4.159,624 4.174,625 4.19,626 4.248,627 8.932,628 0.599,629 445.57,630 3.526,631 5.03,632 5.832,633 6.673,634 7.499,635 8.349,636 9.188,637 10.043,638 10.89,639 11.749,640 4.8,648 1,649 1,651 3,656 3,658 6,667 1,670 63,671 11,672 1,673 33,675 64,676 23,677 6,678 3,679 3,681 2,682 2,688 3,689 2,691 10,693 11,694 12,695 2,696 5,698 1,699 4,700 1,701 1,707 31,708 8,709 5,710 9,714 3,715 1,717 1,718 6,719 3,730 1,731 1,739 1,741 4,746 4,748 2,756 32,759 5,760 7,764 5,773 9.5,774 3,775 2,776 1,779 18,780 10.283,781 7.361,782 3.768,785 2.258,786 1.318,787 0.817,788 10.584,789 9.359,790 3.738,791 4.167,792 4.514,793 4.926,794 5.305,795 5.468,796 5.612,797 5.706,798 5.607,799 5.847,800 0.909,801 43,802 11.919,803 5.088,804 8.214,805 22.076,806 18.016,807 2.714,808 86.833,812 306.049,813 90.928,814 63.528,816 238.562,819 90.928,820 544.61,821 63.528,822 8.396,823 22.047,824 122.9765,825 79.738,826 22.775,828 306.049,830 306.049,831 154.455,832 238.562,835 264.8495,836 128.287,837 42.683,839 29.617,840 83.2955,841 37.905,843 306.049,844 302.089,845 90.928,848 306.049,849 24.594,850 66.334,852 302.089,853 306.049,854 302.089,855 90.928,857 0.564,858 0.31,859 0.16,860 0.084,861 15,862 9,863 0.188,864 12,866 1,867 4.392,868 252.885,870 11,871 158,874 25.764,875 13.145,876 8.524,878 286.774,879 4.603,884 0.928,886 213.417,887 699.066,888 41,890 10.531,891 7.17,892 3.428,893 -0.822,895 63.64,896 71.564,897 0.262,898 0.612,899 0.827,900 0.952,901 0.963,902 0.963,903 4.959,904 1.59,905 5.796,906 4.753,907 4.466,908 4.852,909 2.373,910 6.538,911 4.42,912 6.108,913 1.473,914 7.319,915 3.794,916 4.007,917 4.425,918 2.243,919 7.357,920 3.899,921 7.362,922 1.146,923 8.945,924 3.445,925 5.989,926 6.787,927 3.646,928 10.423,929 5.904,930 8.646,931 1.107,932 10.634,933 2.483,934 6.347,935 7.15,936 4.112,937 12.13,938 6.206,939 9.959,940 0.841,941 12.364,942 2.104,943 7.807,944 9.016,945 5.204,946 14.723,947 7.68,948 11.294,949 0.588,950 14.125,951 1.783,952 8.564,953 9.797,954 5.889,955 16.813,956 8.393,957 12.647,958 0.256,959 15.909,960 1.278,961 9.813,962 11.43,963 6.849,964 19.249,965 9.645,966 3.148,967 -0.069,968 17.712,969 0.56,970 10.766,971 12.453,972 7.625,973 21.499,974 10.564,975 2.873,976 10.723,977 19.531,978 -0.145,979 11.932,980 13.963,981 8.526,982 23.882,983 11.725,984 2.382,985 8.774,986 21.361,987 3.913,988 12.978,989 15.127,990 9.342,991 26.199,992 12.744,993 2.236,994 6.659,995 23.202,996 3.21,997 14.115,998 16.571,999 10.216,1000 28.567,1001 13.869,1002 2.221,1003 6.292,1004 25.052,1005 3.042,1006 15.206,1007 17.818,1008 11.051,1009 30.911,1010 14.937,1011 2.036,1012 5.922,1013 26.909,1014 2.713,1015 16.335,1016 19.224,1017 11.912,1018 33.276,1019 16.051,1020 1.774,1021 5.184,1022 28.772,1023 2.562,1024 17.446,1025 20.52,1026 12.755,1027 35.633,1028 17.142,1029 15208,1030 27895,1031 20.978,1032 39.404,1033 48.552,1034 48.44,1035 49.499,1036 47.547,1037 47.345,1038 57.23,1039 6.211,1040 127.513,1041 46.143,1042 5.166,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.913,1048 3.925,1049 17.488,1050 5.088,1051 20.783,1052 1.471,1053 1.468,1054 1.5,1055 1.441,1056 1.435,1057 1.734,1058 0.188,1059 3.864,1060 1.398,1061 3.994,1062 4.028,1063 3.92,1064 3.903,1065 7.474,1066 3.901,1067 3.925,1068 3.957,1069 3.85,1070 3.838,1071 6.728,1072 3.836,1073 3.742,1074 3.788,1075 3.619,1076 3.619,1077 6.472,1078 3.609,1079 3.64,1080 3.687,1081 3.529,1082 3.496,1083 6.462,1084 3.494,1085 3.487,1086 3.524,1087 3.384,1088 3.316,1089 6.449,1090 3.321,1091 3.37,1092 3.454,1093 3.331,1094 3.149,1095 6.434,1096 3.157,1097 3.179,1098 3.255,1099 3.043,1100 2.921,1101 6.351,1102 2.93,1103 3.157,1104 3.205,1105 2.992,1106 2.869,1107 4.686,1108 2.924,1109 0.129,1110 0.109,1111 0.202,1112 0.125,1113 0.095,1114 4.253,1115 0.119,1116 3.596,1117 0.071,1118 6.682,1119 0.325,1120 4.13,1121 0.094,1122 3.148,1123 3.913,1124 2.341,1125 10.723,1126 3.088,1127 1.923,1128 1.899,1129 2.044,1130 2.031,1131 1.358,1132 2.033,1133 1.827,1134 1.788,1135 2.008,1136 1.953,1137 1.28,1138 1.973,1139 1.723,1140 1.681,1141 1.911,1142 1.877,1143 1.225,1144 1.888,1145 1.604,1146 1.559,1147 1.825,1148 1.796,1149 1.146,1150 1.804,1151 1.524,1152 1.476,1153 1.749,1154 1.73,1155 0.974,1156 1.734,1157 1.375,1158 1.332,1159 1.604,1160 1.59,1161 0.791,1162 1.585,1163 1.196,1164 1.138,1165 1.431,1166 1.514,1167 0.607,1168 1.452,1169 1.019,1170 0.947,1171 1.271,1172 1.338,1173 0.473,1174 1.328,1175 4.205,1177 5.476,1178 2.398,1179 6.917,1180 4.844,1181 8.444,1182 6.986,1183 10.024,1189 49.58,1190 2.912,1194 -2.604,1199 37.728,1200 98.682,1201 230.332,1202 311.549,1203 358.569,1204 362.569,1205 362.569,1206 141.066,1207 7.101,1208 166.98,1209 166.98,1210 11,1211 12.304,1212 3.585,1213 3.17,1214 77.287,1215 169,1216 178,1217 0.216,1218 237.549,1219 435.46,1220 571.379,1221 12642,1223 23.51,1224 0.735,1225 0.559,1226 23.51,1227 17.878,1228 15.312,1229 0.464,1230 0.327,1231 10.672,1232 14.685,1233 10.513,1234 8.665,1235 15.312,1236 10.805,1237 13.368,1238 0.311,1239 0.189,1240 13.368,1241 8.112,1242 10,1243 0.196,1244 0.113,1245 10,1246 5.761,1247 7.853,1248 0.129,1249 0.065,1250 7.853,1251 3.991,1252 5.665,1253 0.085,1254 0.038,1255 5.665,1256 2.523,1257 0.354,1258 96.746,1259 0.218,1260 30.975,1261 0.551,1262 152,1263 501.711,1264 168.368,1265 478.277,1266 604.5,1267 438,1268 170,1269 397.339,1270 183.602,1271 397.987,1272 564.39,1273 373,1274 5.215}
{0 CHEMBL323591,1 1.453,2 13.667,3 3.594,4 12.915,5 117.396,6 7.197,7 0.194,8 4.174,9 4.278,10 3.663,11 3.674,12 5.276,13 3.637,14 4.727,15 4.88,16 4.004,17 4.071,18 5.847,19 3.994,20 5.105,21 5.324,22 4.06,23 4.23,24 6.13,25 4.114,26 5.131,27 5.372,28 3.992,29 4.197,30 6.119,31 4.064,32 5.088,33 5.339,34 3.909,35 4.15,36 6.123,37 4.014,38 5.059,39 5.298,40 3.924,41 4.123,42 6.107,43 3.998,44 5.077,45 5.313,46 3.949,47 4.088,48 6.182,49 3.965,50 5.038,51 5.292,52 3.761,53 4.029,54 6.009,55 3.888,56 0.114,57 0.756,58 13.778,59 6.429,60 28.171,61 8.008,62 0.292,63 1.222,64 25.55,65 10.724,66 67.101,67 13.886,68 0.706,69 1.568,70 42.191,71 14.237,72 114.604,73 19.047,74 0.707,75 1.586,76 43.542,77 14.312,78 114.21,79 19.529,80 0.676,81 1.525,82 40.751,83 13.734,84 121.362,85 18.966,86 0.651,87 1.47,88 40.26,89 13.318,90 119.282,91 18.188,92 0.919,93 1.445,94 42.082,95 13.046,96 143.836,97 17.738,98 0.843,99 1.369,100 40.878,101 12.48,102 121.828,103 17.093,104 44,105 40,106 0.239,107 0.584,108 0.808,109 0.915,110 0.937,111 0.937,112 3.439,113 1.037,114 -3.81,115 -3.77,116 -3.58,118 37.7,120 6,121 2,124 1,125 3,129 4,133 4,135 2,145 1,150 1,153 1,154 12,155 1,158 3,160 1,162 6,164 15,165 1,167 3,168 1,170 8,171 13,172 1,175 4,179 6,180 11,181 1,184 2,188 1,189 7,192 10,193 1,196 2,199 1,200 6,202 9,203 1,206 3,208 1,209 1,210 7,211 10,212 1,215 3,217 1,219 4,222 9,223 1,226 2,230 5,231 1,233 9,234 2,236 1888,237 19.742,238 19.742,239 19.742,240 19.742,241 19.742,242 18.345,243 21.387,244 12.101,245 20.112,246 15.288,247 15.288,248 15.288,249 15.288,250 15.288,251 13.214,252 21.021,253 5.792,254 15.986,255 4.478,256 2.377,257 1.013,258 0.361,259 0.23,260 0.23,261 4.106,262 1,265 1,266 1,267 831,268 4.359,271 236.14,277 2.511,278 46.213,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 66.333,289 410,290 4.125,291 3.596,292 6.636,293 4.08,294 3.097,295 3.648,296 2.341,297 10.548,298 3.043,299 4.043,300 3.286,301 5.513,302 3.592,303 2.666,304 3.167,305 0.86,306 7.462,307 2.448,308 3.552,309 3.074,310 5.495,311 3.303,312 2.358,313 2.713,314 0.765,315 6.755,316 2.229,317 3.511,318 2.858,319 5.026,320 3.241,321 2.237,322 2.622,324 6.049,325 2.217,326 3.304,327 2.559,328 4.723,329 3.151,330 2.203,331 2.496,333 5.239,334 2.077,335 3.226,336 2.498,337 4.659,338 2.829,339 1.947,340 2.283,342 5.184,343 1.777,344 3.102,345 2.154,346 4.55,347 2.787,348 1.807,349 2.119,351 4.572,352 1.642,353 2.748,354 1.925,355 3.838,356 2.621,357 1.632,358 1.765,360 3.491,361 1.6,362 2.667,363 1.569,364 3.56,365 2.188,366 1.218,367 1.715,369 2.67,370 1.161,371 2.383,372 1.412,373 3.483,374 2.151,375 1.162,376 1.3,378 2.576,379 1.137,380 2.21,381 1.14,382 3.227,383 1.837,384 0.86,385 1.059,387 1.926,388 0.834,389 1.648,390 1.043,391 2.985,392 1.459,393 0.528,394 0.573,395 1.223,396 0.482,397 1.478,398 0.797,399 2.753,400 1.28,401 0.34,402 0.363,403 0.734,404 0.318,405 1.145,406 0.56,407 2.599,408 1.003,409 0.071,410 0.075,411 0.153,412 0.066,413 1.028,414 0.408,415 2.362,416 0.774,417 -0.2,418 -0.227,419 -0.474,420 -0.193,421 14.214,422 0.474,423 0.723,424 0.024,425 27.5,426 0.917,427 10,428 0.333,429 17.5,430 0.583,431 33.675,432 1.122,433 35.586,434 0.583,435 21.351,436 0.712,437 5.22,438 0.174,439 9.143,440 0.305,441 0.168,443 0.281,447 0.894,448 1.178,449 0.783,450 1.076,451 0.909,452 1.033,453 0.756,454 1.346,455 0.861,456 1.243,457 0.651,458 1.213,459 0.997,460 1.046,461 0.968,462 1.018,463 0.967,464 1.04,465 0.925,466 1.027,467 0.867,468 1,469 0.91,470 1.015,471 0.829,472 0.973,473 0.787,474 0.931,475 0.835,476 0.952,477 0.901,478 1.039,479 0.882,480 1.012,481 0.909,482 1.005,483 0.994,484 0.992,485 0.886,486 0.969,487 0.978,488 0.993,489 1.109,490 0.829,491 0.937,492 0.827,493 1.008,494 0.898,495 6,496 0.236,497 3.111,498 1.75,499 1.507,500 0.826,501 0.552,502 0.342,503 0.271,504 0.274,505 12235,506 39041,507 1.94,508 50.8,509 6,510 13,513 4,514 2,515 6,517 1.727,518 1.8,519 3.685,520 1.598,522 1,525 88.643,526 1.453,527 3.554,528 4.918,529 5.57,530 5.701,531 5.701,532 3.219,533 4.44,534 4.871,535 3.937,536 1712.46,537 8.495,538 25859.4,540 1,542 361.775,543 1.457,544 4.825,545 0.194,546 0.007,547 0.078,548 0.044,549 0.042,550 0.024,551 0.016,552 0.01,553 0.009,554 0.009,555 0.432,556 0.17,557 0.88,558 1.773,559 158.648,560 -0.106,561 0.089,562 -0.019,563 0.086,564 -0.124,565 0.056,566 0.019,567 -0.178,568 -0.058,569 -0.148,570 0.065,571 -0.156,572 -0.061,573 -0.033,574 -0.058,575 -0.027,576 -0.075,577 -0.049,578 -0.042,579 -0.042,580 -0.004,581 -0.04,582 -0.06,583 -0.034,584 0.002,585 0.006,586 0.032,587 0.018,588 0.025,589 0.03,590 -0.01,591 -0.055,592 -0.008,593 -0.05,594 -0.005,595 -0.023,596 0.038,597 -0.031,598 0.009,599 -0.031,600 0.015,601 -0.035,602 -0.09,603 0.105,604 -0.032,605 0.095,606 -0.093,607 0.053,608 2.475,609 4.431,610 0.4,611 38.72,612 1.007,613 1.129,614 2.58,615 6.658,616 0.636,617 3.466,618 3.714,619 3.85,620 4.007,621 4.159,622 4.094,623 4.043,624 4.025,625 4.127,626 4.143,627 8.16,628 0.599,629 438.99,630 3.466,631 4.963,632 5.753,633 6.583,634 7.396,635 8.233,636 9.057,637 9.899,638 10.732,639 11.577,651 4,656 2,658 6,668 1,669 1,670 61,671 9,672 1,673 31,675 62,676 23,677 6,678 2,679 4,681 2,682 2,683 1,688 4,689 2,691 9,693 11,694 12,695 2,696 3,698 1,699 4,701 1,704 1,707 31,708 6,709 4,710 7,711 1,717 1,718 6,719 3,731 2,739 1,741 4,746 4,748 2,753 1,756 30,759 4,760 7,762 1,764 5,772 1,773 9.8,774 3,775 1,776 1,778 1,779 16.667,780 9.86,781 6.833,782 3.661,785 1.835,786 1.265,787 0.831,788 10.721,789 8.76,790 3.638,791 4.034,792 4.334,793 4.688,794 5.039,795 5.001,796 4.986,797 5.115,798 5.355,799 5.52,800 1,801 40,802 11.218,803 4.755,804 8.059,805 21.065,806 17.183,807 2.559,808 76.778,811 1,812 317.82,813 105.263,815 39.149,816 206.878,819 105.263,820 563.847,823 19.8,824 203.86,825 68.738,826 19.744,828 317.82,829 39.149,830 317.82,831 105.263,832 206.878,833 39.149,835 247.193,836 149.455,837 128.05,839 19.8,840 47.559,841 77.054,843 317.82,844 206.878,845 144.412,848 317.82,849 29.453,850 75.81,852 246.027,853 317.82,854 206.878,855 144.412,857 0.566,858 0.303,859 0.152,860 0.084,861 14,862 8,863 0.177,864 11,866 1,867 4.214,868 232.265,870 12,871 147.207,874 24.734,875 13.003,876 9.023,878 206.878,879 6.918,884 1.115,886 170.733,887 669.11,888 37,890 10.543,891 7.223,893 -0.808,895 61.425,896 68.844,897 0.245,898 0.599,899 0.829,900 0.939,901 0.961,902 0.961,903 4.856,904 1.632,905 5.707,906 4.572,907 4.394,908 4.718,909 2.502,910 6.418,911 4.307,912 5.985,913 1.218,914 7.21,915 3.491,916 3.892,917 4.248,918 2.243,919 7.182,920 3.698,921 7.224,922 1.162,923 8.815,924 2.67,925 5.889,926 6.573,927 3.674,928 10.238,929 5.734,930 8.486,931 0.86,932 10.482,933 2.576,934 6.176,935 6.838,936 4.112,937 11.899,938 5.932,939 9.777,940 0.528,941 12.193,942 1.926,943 7.654,944 8.697,945 5.208,946 14.499,947 7.443,948 11.086,949 0.34,950 13.937,951 1.223,952 8.34,953 9.34,954 5.889,955 16.56,956 8.069,957 12.412,958 0.071,959 15.707,960 0.734,961 9.599,962 10.986,963 6.849,964 19.006,965 9.347,966 3.097,967 -0.2,968 17.498,969 0.153,970 10.497,971 11.852,972 7.625,973 21.239,974 10.209,975 2.666,976 10.548,977 19.307,978 -0.474,979 11.663,980 13.377,981 8.526,982 23.63,983 11.382,984 2.358,985 7.462,986 21.131,987 3.648,988 12.671,989 14.385,990 9.342,991 25.933,992 12.368,993 2.237,994 6.755,995 22.967,996 3.167,997 13.801,998 15.834,999 10.216,1000 28.303,1001 13.498,1002 2.203,1003 6.049,1004 24.814,1005 2.713,1006 14.866,1007 16.934,1008 11.051,1009 30.636,1010 14.548,1011 1.947,1012 5.239,1013 26.668,1014 2.622,1015 15.985,1016 18.333,1017 11.912,1018 32.998,1019 15.662,1020 1.807,1021 5.184,1022 28.53,1023 2.496,1024 17.078,1025 19.495,1026 12.755,1027 35.344,1028 16.743,1029 12379,1030 22214,1031 19.879,1032 38.767,1033 44.962,1034 45.644,1035 45.839,1036 44.492,1037 44.251,1038 51.796,1039 7.931,1040 117.165,1041 42.06,1042 5.125,1043 5.596,1044 6.461,1045 5.127,1046 5.097,1047 6.648,1048 3.925,1049 17.631,1050 5.043,1051 18.266,1052 1.45,1053 1.472,1054 1.479,1055 1.435,1056 1.427,1057 1.671,1058 0.256,1059 3.78,1060 1.357,1061 3.973,1062 4.008,1063 3.996,1064 3.875,1065 7.474,1066 3.869,1067 3.888,1068 3.907,1069 3.853,1070 3.818,1071 6.459,1072 3.811,1073 3.742,1074 3.788,1075 3.619,1076 3.619,1077 6.448,1078 3.609,1079 3.619,1080 3.657,1081 3.53,1082 3.472,1083 6.441,1084 3.472,1085 3.504,1086 3.543,1087 3.393,1088 3.338,1089 6.351,1090 3.339,1091 3.251,1092 3.298,1093 3.315,1094 3.058,1095 4.978,1096 3.058,1097 3.23,1098 3.274,1099 3.095,1100 3.009,1101 4.553,1102 3.018,1103 3.045,1104 3.088,1105 3.059,1106 2.815,1107 4.421,1108 2.816,1109 0.133,1110 0.116,1111 0.214,1112 0.132,1113 0.1,1114 4.125,1115 0.118,1116 3.596,1117 0.076,1118 6.636,1119 0.34,1120 4.08,1121 0.098,1122 3.097,1123 3.648,1124 2.341,1125 10.548,1126 3.043,1127 1.932,1128 1.897,1129 2.103,1130 2.062,1131 1.501,1132 2.076,1133 1.867,1134 1.848,1135 1.965,1136 1.963,1137 1.252,1138 1.968,1139 1.739,1140 1.691,1141 1.956,1142 1.897,1143 1.071,1144 1.918,1145 1.593,1146 1.553,1147 1.796,1148 1.773,1149 1.011,1150 1.781,1151 1.475,1152 1.429,1153 1.721,1154 1.672,1155 0.989,1156 1.684,1157 1.219,1158 1.165,1159 1.495,1160 1.454,1161 0.758,1162 1.464,1163 1.171,1164 1.125,1165 1.439,1166 1.44,1167 0.669,1168 1.437,1169 0.968,1170 0.92,1171 1.273,1172 1.273,1173 0.457,1174 1.269,1175 4.143,1177 5.407,1179 6.845,1181 8.374,1183 9.96,1186 5.913,1189 39.73,1190 3.038,1192 5.532,1194 -2.426,1199 36.545,1200 88.643,1201 216.8,1202 300.001,1203 339.775,1204 347.775,1205 347.775,1206 117.125,1207 6.925,1208 107.22,1209 107.22,1210 12,1211 12.142,1212 3.322,1213 2.807,1214 69.366,1215 140,1216 158,1217 0.227,1218 231.353,1219 422.95,1220 556.262,1221 10034,1222 1.6,1223 21.933,1224 0.731,1225 0.59,1226 22.433,1227 17.695,1228 14.363,1229 0.463,1230 0.346,1231 10.256,1232 13.571,1233 10.062,1234 8.274,1235 14.652,1236 10.72,1237 12.643,1238 0.316,1239 0.203,1240 13.051,1241 8.103,1242 9.264,1243 0.201,1244 0.12,1245 9.526,1246 5.535,1247 7.045,1248 0.13,1249 0.071,1250 7.313,1251 3.848,1252 5.491,1253 0.087,1254 0.042,1255 5.668,1256 2.645,1257 0.368,1258 93.149,1259 0.224,1260 29.206,1261 0.591,1262 142,1263 448.273,1264 171.802,1265 448.522,1266 565.22,1267 414,1268 157,1269 349.802,1270 178.829,1271 358.62,1272 515.08,1273 338,1274 5.721}
{0 CHEMBL334398,1 1.361,2 13.571,3 2.349,4 5.52,5 107.947,6 6.733,7 0.207,8 4.124,9 4.23,10 3.554,11 3.605,12 5.23,13 3.572,14 4.67,15 4.824,16 3.866,17 3.994,18 5.788,19 3.922,20 5.032,21 5.257,22 3.879,23 4.115,24 6.055,25 4.003,26 5.028,27 5.276,28 3.771,29 4.067,30 6.048,31 3.932,32 4.963,33 5.214,34 3.741,35 4.018,36 5.957,37 3.891,38 4.942,39 5.18,40 3.795,41 4,42 6.008,43 3.887,44 4.982,45 5.223,46 3.715,47 3.963,48 6.062,49 3.839,50 4.915,51 5.177,52 3.591,53 3.889,54 5.881,55 3.756,56 0.095,57 0.728,58 13.535,59 6.107,60 26.771,61 7.711,62 0.255,63 1.173,64 24.076,65 9.951,66 64.001,67 13.133,68 0.606,69 1.473,70 36.491,71 12.55,72 107.063,73 17.352,74 0.617,75 1.438,76 36.475,77 12.353,78 111.472,79 17.426,80 0.472,81 1.358,82 34.017,83 11.667,84 93.799,85 16.443,86 0.501,87 1.333,88 33.294,89 11.396,90 102.91,91 15.972,92 0.766,93 1.321,94 35.446,95 11.244,96 127.521,97 15.796,98 0.701,99 1.225,100 33.245,101 10.482,102 105.354,103 14.874,104 33,105 37,106 0.226,107 0.574,108 0.793,109 0.896,110 0.915,111 0.915,112 3.373,113 1.008,114 -3.12,115 -3.11,116 -2.99,118 37.9,120 5,121 2,124 1,125 3,129 4,133 5,135 1,145 1,150 1,153 1,154 13,155 1,158 3,160 1,162 6,164 14,165 1,167 4,168 1,170 6,171 11,172 1,175 3,178 1,179 6,180 8,181 1,184 2,189 7,192 8,193 1,196 2,199 1,200 7,202 9,203 1,206 3,208 1,209 1,210 5,211 9,212 1,215 2,217 1,219 4,222 8,223 1,226 2,230 5,231 1,233 8,234 2,236 1576,237 18.587,238 18.587,239 18.587,240 18.587,241 18.587,242 17.215,243 19.786,244 11.533,245 18.821,246 14.321,247 14.321,248 14.321,249 14.321,250 14.321,251 12.32,252 20.679,253 5.538,254 14.749,255 4.497,256 2.399,257 1.08,258 0.461,259 0.345,260 0.345,261 4.039,265 1,266 1,267 772,268 4.301,270 96.089,271 110.654,277 2.469,278 41.421,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 62,289 380,290 4.172,291 3.596,292 6.682,293 4.13,294 3.148,295 3.446,296 2.341,297 10.723,298 3.088,299 3.902,300 3.337,301 5.371,302 3.497,303 2.558,304 3.21,305 0.86,306 7.027,307 2.4,308 3.552,309 2.983,310 5.345,311 3.258,312 2.299,313 2.713,314 0.765,315 6.281,316 2.224,317 3.484,318 2.686,319 4.989,320 3.241,321 2.236,322 2.566,324 5.885,325 2.193,326 3.208,327 2.379,328 4.662,329 2.994,330 2.036,331 2.269,333 5.184,334 1.944,335 2.993,336 2.148,337 4.657,338 2.753,339 1.774,340 2.097,342 4.75,343 1.728,344 2.904,345 1.913,346 3.797,347 2.571,348 1.591,349 1.96,351 3.447,352 1.551,353 2.684,354 1.695,355 3.639,356 2.455,357 1.488,358 1.669,360 3.142,361 1.431,362 2.5,363 1.527,364 3.464,365 2.107,366 1.124,367 1.5,369 2.458,370 1.098,371 2.335,372 1.143,373 3.247,374 2,375 1,376 1.254,378 2.136,379 1,380 2.17,381 1.042,382 3.181,383 1.784,384 0.815,385 1.003,387 1.841,388 0.783,389 1.63,390 1,391 2.888,392 1.426,393 0.503,394 0.548,395 1.135,396 0.457,397 1.403,398 0.735,399 2.595,400 1.184,401 0.22,402 0.245,403 0.481,404 0.212,405 1.004,406 0.414,407 2.353,408 0.738,409 -0.231,410 -0.261,411 -0.533,412 -0.221,413 0.711,414 0.168,415 2.228,416 0.37,417 -0.553,418 -0.561,419 -1.29,420 -0.488,421 13,422 0.464,423 0.617,424 0.022,425 26.25,426 0.938,427 10,428 0.357,429 16.25,430 0.58,431 28.924,432 1.033,433 33.2,434 0.572,435 20.105,436 0.718,437 5.148,438 0.184,439 8.322,440 0.297,441 0.128,443 0.269,447 0.931,448 1.168,449 0.951,450 1.153,451 0.931,452 1.07,453 0.778,454 1.345,455 1.048,456 1.342,457 0.672,458 1.266,459 1.023,460 1.064,461 1.062,462 1.067,463 0.994,464 1.072,465 0.923,466 0.988,467 1,468 0.995,469 0.847,470 1.011,471 0.923,472 0.963,473 0.942,474 0.963,475 0.914,476 0.957,477 0.889,478 1.066,479 0.942,480 1.061,481 0.876,482 1.02,483 1.096,484 0.978,485 1.07,486 0.983,487 1.049,488 1.015,489 1.098,490 0.773,491 0.981,492 0.78,493 0.997,494 0.845,495 5,496 0.188,497 2.667,498 1.826,499 0.961,500 0.781,501 0.494,502 0.278,503 0.262,504 0.274,505 10438,506 30450,507 1.956,508 51.7,509 6,510 14,513 4,514 2,515 2,516 2,517 1.708,518 1.826,519 3.679,520 1.627,521 1,522 1,525 78.939,526 1.361,527 3.459,528 4.778,529 5.397,530 5.513,531 5.513,532 3.231,533 4.522,534 4.771,535 3.913,536 1478.94,537 8.287,538 21379.3,540 1,541 1,542 339.763,543 1.405,544 4.732,545 0.172,546 0.006,547 0.072,548 0.052,549 0.031,550 0.025,551 0.015,552 0.01,553 0.01,554 0.009,555 0.404,556 0.17,557 0.88,558 1.817,559 145.355,560 -0.109,561 0.092,562 -0.02,563 0.09,564 -0.131,565 0.06,566 0.021,567 -0.18,568 -0.116,569 -0.185,570 0.053,571 -0.181,572 -0.054,573 -0.061,574 -0.085,575 -0.065,576 -0.082,577 -0.079,578 -0.025,579 -0.017,580 -0.033,581 -0.019,582 -0.005,583 -0.026,584 -0.063,585 0.01,586 0.019,587 0.017,588 -0.042,589 0.033,590 0.016,591 -0.08,592 0.026,593 -0.071,594 0.028,595 -0.027,596 -0.011,597 -0.029,598 -0.066,599 -0.036,600 -0.032,601 -0.059,602 -0.068,603 0.151,604 0.016,605 0.147,606 -0.083,607 0.106,608 2.47,609 4.239,610 0.393,611 35.847,612 1.004,613 1.129,614 1.886,615 3.558,616 0.623,617 3.401,618 3.638,619 3.784,620 3.951,621 4.025,622 3.932,623 3.932,624 3.951,625 4.007,626 4.025,627 7.987,628 0.589,629 390.52,630 3.401,631 4.89,632 5.68,633 6.509,634 7.323,635 8.161,636 8.99,637 9.836,638 10.675,639 11.527,651 5,656 1,658 6,668 1,670 58,671 9,672 1,673 29,675 59,676 22,677 6,678 1,679 5,681 2,682 2,688 3,689 2,691 8,693 11,694 11,695 2,696 3,698 1,699 4,701 1,704 1,707 30,708 6,709 4,710 6,717 1,718 6,719 3,730 1,731 1,739 1,741 4,746 4,748 2,756 28,759 4,760 6,762 1,764 5,773 10.3,774 3,775 1,776 1,778 1,779 15.333,780 9.3,781 6.417,782 3.431,785 1.818,786 1.269,787 0.824,788 9.547,789 8.575,790 3.584,791 3.961,792 4.259,793 4.601,794 4.92,795 4.805,796 4.904,797 5.043,798 5.253,799 5.414,800 1,801 35,802 10.47,803 4.434,804 8.054,805 19.688,806 16.039,807 2.554,808 71.5,811 1,812 306.049,813 108.705,816 206.878,819 108.705,820 512.927,823 17.265,824 213.336,825 68.738,826 16.243,828 306.049,830 306.049,831 108.705,832 206.878,835 258.964,836 125.913,837 128.05,839 17.265,840 53.535,841 37.905,843 306.049,844 206.878,845 108.705,848 306.049,849 23.418,850 85.286,852 206.878,853 306.049,854 206.878,855 108.705,857 0.561,858 0.302,859 0.154,860 0.081,861 13,862 7,863 0.186,864 11,866 1,867 4.113,868 208.5,870 11,871 130.606,874 22.471,875 11.897,876 7.993,878 206.878,879 9.219,884 0.678,886 170.733,887 621.631,888 35,890 10.495,891 7.231,893 -0.803,895 58.218,896 65.484,897 0.232,898 0.59,899 0.816,900 0.921,901 0.941,902 0.941,903 4.792,904 1.488,905 5.624,906 3.447,907 4.317,908 4.644,909 2.502,910 6.333,911 4.257,912 5.909,913 1.124,914 7.122,915 3.142,916 3.761,917 4.034,918 2.243,919 7.096,920 3.637,921 7.137,922 1,923 8.726,924 2.458,925 5.802,926 6.457,927 3.674,928 10.177,929 5.688,930 8.391,931 0.815,932 10.397,933 2.136,934 6.089,935 6.583,936 4.112,937 11.898,938 5.918,939 9.676,940 0.503,941 12.116,942 1.841,943 7.589,944 8.532,945 5.208,946 14.503,947 7.428,948 10.982,949 0.22,950 13.871,951 1.135,952 8.306,953 9.026,954 5.889,955 16.629,956 8.103,957 12.306,958 -0.231,959 15.654,960 0.481,961 9.58,962 10.75,963 6.849,964 19.08,965 9.378,966 3.148,967 -0.553,968 17.46,969 -0.533,970 10.517,971 11.457,972 7.625,973 21.362,974 10.288,975 2.558,976 10.723,977 19.284,978 -1.29,979 11.7,980 13.05,981 8.526,982 23.761,983 11.465,984 2.299,985 7.027,986 21.123,987 3.446,988 12.746,989 13.893,990 9.342,991 26.101,992 12.49,993 2.236,994 6.281,995 22.975,996 3.21,997 13.896,998 15.398,999 10.216,1000 28.483,1001 13.631,1002 2.036,1003 5.885,1004 24.836,1005 2.713,1006 14.993,1007 16.336,1008 11.051,1009 30.843,1010 14.711,1011 1.774,1012 5.184,1013 26.705,1014 2.566,1015 16.135,1016 17.778,1017 11.912,1018 33.219,1019 15.839,1020 1.591,1021 4.75,1022 28.581,1023 2.269,1024 17.256,1025 18.783,1026 12.755,1027 35.586,1028 16.944,1029 10540,1030 18054,1031 18.781,1032 36.148,1033 42.495,1034 42.609,1035 42.69,1036 41.695,1037 41.585,1038 48.959,1039 7.931,1040 108.978,1041 40.215,1042 5.085,1043 5.596,1044 6.506,1045 5.171,1046 5.148,1047 6.446,1048 3.925,1049 17.488,1050 5.088,1051 15.881,1052 1.465,1053 1.469,1054 1.472,1055 1.438,1056 1.434,1057 1.688,1058 0.273,1059 3.758,1060 1.387,1061 3.978,1062 4.012,1063 3.883,1064 3.878,1065 7.474,1066 3.873,1067 3.883,1068 3.909,1069 3.809,1070 3.805,1071 6.465,1072 3.801,1073 3.741,1074 3.787,1075 3.618,1076 3.617,1077 6.449,1078 3.607,1079 3.609,1080 3.646,1081 3.496,1082 3.457,1083 6.434,1084 3.458,1085 3.484,1086 3.518,1087 3.376,1088 3.31,1089 6.351,1090 3.315,1091 3.169,1092 3.215,1093 3.03,1094 2.965,1095 4.857,1096 2.971,1097 3.156,1098 3.205,1099 2.99,1100 2.921,1101 4.427,1102 2.93,1103 2.944,1104 2.977,1105 2.799,1106 2.735,1107 4.344,1108 2.715,1109 0.144,1110 0.124,1111 0.23,1112 0.142,1113 0.109,1114 4.172,1115 0.119,1116 3.596,1117 0.081,1118 6.682,1119 0.37,1120 4.13,1121 0.106,1122 3.148,1123 3.446,1124 2.341,1125 10.723,1126 3.088,1127 1.876,1128 1.851,1129 2.018,1130 1.987,1131 1.352,1132 1.994,1133 1.827,1134 1.787,1135 2,1136 1.95,1137 1.233,1138 1.97,1139 1.719,1140 1.677,1141 1.915,1142 1.871,1143 1.155,1144 1.886,1145 1.599,1146 1.555,1147 1.822,1148 1.793,1149 1.057,1150 1.801,1151 1.481,1152 1.438,1153 1.714,1154 1.699,1155 0.967,1156 1.702,1157 1.344,1158 1.305,1159 1.573,1160 1.568,1161 0.775,1162 1.563,1163 1.048,1164 0.996,1165 1.348,1166 1.319,1167 0.538,1168 1.324,1169 0.921,1170 0.876,1171 1.212,1172 1.219,1173 0.343,1174 1.211,1175 4.078,1177 5.333,1178 2.398,1179 6.753,1180 4.844,1181 8.255,1182 6.986,1183 9.806,1189 39.204,1190 2.413,1192 5.511,1194 -2.448,1199 34.191,1200 78.939,1201 200.627,1202 277.134,1203 313.008,1204 319.763,1205 319.763,1206 100.79,1207 6.757,1208 107.22,1209 107.22,1210 11,1211 12.087,1212 3.322,1213 2.807,1214 62.154,1215 128,1216 141,1217 0.223,1218 213.428,1219 390.44,1220 512.525,1221 8023,1223 20.355,1224 0.727,1225 0.569,1226 20.355,1227 15.931,1228 13.469,1229 0.464,1230 0.336,1231 9.627,1232 12.986,1233 9.477,1234 7.812,1235 13.469,1236 9.742,1237 11.667,1238 0.315,1239 0.194,1240 11.667,1241 7.181,1242 8.61,1243 0.2,1244 0.116,1245 8.61,1246 4.972,1247 6.681,1248 0.131,1249 0.068,1250 6.681,1251 3.459,1252 4.898,1253 0.089,1254 0.039,1255 4.898,1256 2.156,1257 0.363,1258 84.61,1259 0.231,1260 27.724,1261 0.577,1262 132,1263 410.07,1264 146.282,1265 382.245,1266 488.11,1267 354,1268 146,1269 318.939,1270 158.07,1271 317.91,1272 456.06,1273 300,1274 8.699}
{0 CHEMBL334810,1 1.381,2 14.25,3 2.373,4 5.632,5 114.919,6 6.247,8 4.232,9 4.36,10 3.752,11 3.731,12 5.167,13 3.626,14 4.841,15 5.029,16 3.963,17 4.12,18 5.921,19 3.973,20 5.19,21 5.447,22 3.963,23 4.262,24 6.095,25 4.079,26 5.201,27 5.46,28 3.902,29 4.247,30 6.202,31 4.058,32 5.182,33 5.452,34 3.799,35 4.178,36 6.12,37 3.999,38 5.108,39 5.383,40 3.816,41 4.137,42 6.042,43 3.959,44 5.112,45 5.379,46 3.728,47 4.124,48 6.056,49 3.929,50 5.088,51 5.376,52 3.676,53 4.087,54 5.912,55 3.869,56 0.167,57 0.85,58 20.905,59 7.82,60 29.8,61 9.68,62 0.517,63 1.339,64 33.791,65 12.814,66 77.685,67 16.142,68 0.561,69 1.622,70 46.606,71 15.729,72 91.332,73 20.32,74 0.675,75 1.617,76 47.005,77 15.617,78 119.344,79 20.43,80 0.591,81 1.536,82 43.185,83 14.159,84 107.252,85 19.557,86 0.511,87 1.468,88 39.899,89 13.62,90 93.816,91 18.806,92 0.63,93 1.449,94 41.109,95 13.621,96 105.343,97 18.498,98 0.504,99 1.396,100 39.827,101 13.39,102 83.824,103 18.033,104 80,105 36,106 0.225,107 0.493,108 0.767,109 0.898,110 0.918,111 0.918,112 3.373,113 1.329,114 -3.29,115 -3.28,116 -3.14,118 31.3,119 2,120 8,121 2,124 2,125 3,129 4,150 2,153 1,154 12,157 1,158 1,160 2,162 6,164 13,165 1,167 2,170 7,171 12,172 2,175 3,178 1,179 8,180 11,181 1,184 2,189 6,192 10,193 1,196 2,199 1,200 7,202 11,203 1,206 2,209 1,210 6,211 10,212 1,215 2,219 5,222 8,223 1,226 2,230 4,231 1,233 7,234 2,236 1586,237 18.311,238 18.311,239 18.311,240 18.311,241 18.311,242 17.714,243 14.647,244 11.394,245 18.549,246 13.731,247 13.731,248 13.731,249 13.731,250 13.731,251 12.735,252 12.336,253 5.259,254 14.061,255 4.685,256 3.042,257 1.362,258 0.56,259 0.44,260 0.44,261 4.019,265 1,266 1,267 776,268 5,270 100.172,277 2.411,278 44.318,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 61.667,289 399,290 4.445,291 3.336,292 6.702,293 4.177,294 3.183,295 3.781,296 0.765,297 10.862,298 3.164,299 4.172,300 3.221,301 6.682,302 4.13,303 3.148,304 3.21,306 10.723,307 3.088,308 3.503,309 2.813,310 5.354,311 3.336,312 2.374,313 2.573,315 6.314,316 2.275,317 3.216,318 2.38,319 5.027,320 3.005,321 2.044,322 2.276,324 5.958,325 1.962,326 2.991,327 2.144,328 4.661,329 2.786,330 1.803,331 1.991,333 4.755,334 1.766,335 2.747,336 1.908,337 3.905,338 2.634,339 1.648,340 1.73,342 3.56,343 1.622,344 2.574,345 1.657,346 3.702,347 2.553,348 1.57,349 1.573,351 3.087,352 1.538,353 2.352,354 1.631,355 3.6,356 2.183,357 1.222,358 1.308,360 2.593,361 1.171,362 2.193,363 1.466,364 3.38,365 2.009,366 1.078,367 1.128,369 1.972,370 0.991,371 2.116,372 0.953,373 3.124,374 1.836,375 0.844,376 0.985,378 1.693,379 0.836,380 1.645,381 0.762,382 2.865,383 1.572,384 0.597,385 0.62,387 1.096,388 0.579,389 1.415,390 0.563,391 2.617,392 1.261,393 0.271,394 0.295,395 0.572,396 0.267,397 1.006,398 0.16,399 2.378,400 0.79,401 -0.189,402 -0.206,403 -0.408,404 -0.184,405 0.704,406 -0.072,407 2.287,408 0.556,409 -0.414,410 -0.427,411 -0.704,412 -0.397,413 0.614,414 -0.261,415 2,416 0.448,417 -0.523,418 -0.537,419 -0.844,420 -0.49,421 13.5,422 0.482,423 0.697,424 0.025,425 19.25,426 0.688,427 3.5,428 0.125,429 15.75,430 0.563,431 36.899,432 1.318,433 35.7,434 0.533,435 13.716,436 0.49,437 2.759,438 0.099,439 10.544,440 0.377,441 0.198,442 0.074,443 0.185,447 1.046,448 1.429,449 1.04,450 1.545,451 1.014,452 1.279,453 0.694,454 1.387,455 1.124,456 1.362,457 0.654,458 1.307,459 1.084,460 1.045,461 1.064,462 1.057,463 1.041,464 1.027,465 1.022,466 1.052,467 1.098,468 1.091,469 1.076,470 1.055,471 1.082,472 0.949,473 0.904,474 0.805,475 1.142,476 0.977,477 0.767,478 1.011,479 0.792,480 0.854,481 0.771,482 0.975,483 0.993,484 1.013,485 0.982,486 0.921,487 1.014,488 1.049,489 0.925,490 0.926,491 0.878,492 0.826,493 0.941,494 0.95,495 6,496 0.229,497 3.111,498 2.264,499 0.89,500 0.747,501 0.534,502 0.3,503 0.26,504 0.3,505 9649,506 24100,507 1.853,508 58.2,509 13,510 11,513 4,515 9,516 2,517 1.707,518 1.706,519 3.725,520 1.662,525 92.549,526 1.381,527 3.024,528 4.704,529 5.506,530 5.626,531 5.626,532 3.24,533 4.736,534 4.771,535 3.95,536 1492.94,537 8.285,538 21764.1,542 406.428,543 1.598,544 4.704,545 0.214,546 0.008,547 0.086,548 0.065,549 0.027,550 0.025,551 0.017,552 0.011,553 0.01,554 0.012,555 0.476,556 0.17,557 0.88,558 2.919,559 145.876,560 -0.193,561 0.021,562 0.168,563 -0.028,564 -0.188,565 0.036,566 0.207,567 -0.151,568 -0.061,569 -0.136,570 0.163,571 -0.144,572 -0.086,573 -0.016,574 -0.051,575 -0.018,576 -0.082,577 -0.013,578 -0.031,579 -0.034,580 -0.09,581 -0.061,582 -0.019,583 -0.048,584 -0.105,585 0.016,586 -0.041,587 0.02,588 -0.097,589 -0.007,590 0.044,591 -0.024,592 0.053,593 -0.004,594 0.059,595 0.02,596 -0.038,597 -0.029,598 -0.078,599 -0.03,600 -0.033,601 -0.064,602 -0.067,603 0.026,604 0.009,605 0.051,606 -0.075,607 0.018,608 4.264,609 4.608,610 0.179,611 35.878,612 0.994,613 1.139,614 2.064,615 4.261,616 0.607,617 3.367,618 3.611,619 3.714,620 3.85,621 3.829,622 3.807,623 3.784,624 3.784,625 3.807,626 3.85,627 8.139,628 0.548,629 418.57,630 3.367,631 4.86,632 5.638,633 6.479,634 7.284,635 8.136,636 8.957,637 9.815,638 10.647,639 11.511,670 67,671 3,673 28,675 67,676 21,681 1,682 1,685 2,688 3,689 2,691 11,693 4,694 17,695 2,696 3,698 1,699 4,702 1,707 39,708 6,709 4,710 7,711 1,717 1,718 6,719 3,724 1,725 1,730 1,741 4,746 4,748 1,752 2,756 28,759 4,760 10,762 1,764 5,773 9,774 4,776 1,777 1,779 16.417,780 11.333,781 6.583,782 4.518,784 1,785 0.861,786 1.133,787 0.822,788 12.494,789 7.353,790 3.466,791 3.784,792 3.932,793 4.143,794 4.248,795 4.419,796 4.5,797 4.575,798 4.654,799 4.762,800 0.9,801 35,802 10.725,803 4.62,804 7.963,805 20.397,806 16.824,807 2.463,808 68.972,812 419.947,813 80.424,816 192.367,818 7.958,819 80.424,820 604.355,822 17.65,823 24.869,824 211.045,825 27.185,828 411.989,830 411.989,831 80.424,832 192.367,833 7.958,835 282.506,836 149.745,837 172.104,839 42.519,841 45.863,843 411.989,844 192.367,845 80.424,846 7.958,847 7.958,848 411.989,849 24.869,850 55.555,852 192.367,853 411.989,854 192.367,855 88.382,857 0.555,858 0.3,859 0.152,860 0.071,861 11,862 7,863 0.209,864 14,866 1,867 3.987,868 200.98,870 5,871 134.606,874 25.556,875 13.689,876 10.224,878 192.367,886 165.182,887 692.737,888 31,890 11.608,891 7.53,894 -3.459,895 66.61,896 76.284,897 0.228,898 0.498,899 0.775,900 0.908,901 0.927,902 0.927,903 4.7,904 1.222,905 5.631,906 3.087,907 4.29,908 4.466,909 0.775,910 6.409,911 4.246,912 5.832,913 1.078,914 7.182,915 2.593,916 4.007,917 4.29,919 7.591,920 3.94,921 7.108,922 0.844,923 8.854,924 1.972,925 5.9,926 6.304,927 0.521,928 10.531,929 5.829,930 8.426,931 0.597,932 10.601,933 1.693,934 6.463,935 6.995,937 12.528,938 6.376,939 9.786,940 0.271,941 12.396,942 1.096,943 7.87,944 8.538,945 0.336,946 15.071,947 7.779,948 11.174,949 -0.189,950 14.221,951 0.572,952 8.79,953 9.593,955 17.327,956 8.686,957 12.584,958 -0.414,959 16.067,960 -0.408,961 10.028,962 10.979,963 0.21,964 19.759,965 9.918,966 3.183,967 -0.523,968 17.928,969 -0.704,970 11.09,971 12.185,973 22.097,974 10.969,975 3.148,976 10.862,977 19.799,978 -0.844,979 12.27,980 13.52,981 0.128,982 24.495,983 12.142,984 2.374,985 10.723,986 21.677,987 3.781,988 13.387,989 14.788,991 26.86,992 13.248,993 2.044,994 6.314,995 23.561,996 3.21,997 14.548,998 16.109,999 0.077,1000 29.246,1001 14.4,1002 1.803,1003 5.958,1004 25.449,1005 2.573,1006 15.686,1007 17.406,1009 31.62,1010 15.527,1011 1.648,1012 4.755,1013 27.34,1014 2.276,1015 16.841,1016 18.724,1017 0.046,1018 34.002,1019 16.672,1020 1.57,1021 3.56,1022 29.234,1023 1.991,1024 17.987,1025 20.034,1027 36.38,1028 17.808,1029 10230,1030 16303,1031 17.277,1032 40.637,1033 40.164,1034 40.389,1035 41.521,1036 39.652,1037 39.563,1038 42.94,1039 1.529,1040 106.369,1041 38.521,1042 5.364,1043 5.214,1044 6.613,1045 5.166,1046 5.17,1047 6.17,1048 1.529,1049 17.627,1050 5.149,1051 18.979,1052 1.434,1053 1.442,1054 1.483,1055 1.416,1056 1.413,1057 1.534,1058 0.055,1059 3.799,1060 1.376,1061 3.978,1062 4.014,1063 4.446,1064 3.976,1065 7.429,1066 3.871,1067 3.814,1068 3.84,1069 3.871,1070 3.863,1071 6.465,1072 3.689,1073 3.757,1074 3.815,1075 3.61,1076 3.633,1077 6.449,1078 3.616,1079 3.599,1080 3.641,1081 3.51,1082 3.521,1083 6.434,1084 3.461,1085 3.527,1086 3.585,1087 3.367,1088 3.382,1089 6.345,1090 3.367,1091 3.391,1092 3.466,1093 3.2,1094 3.222,1095 4.444,1096 3.196,1097 3.224,1098 3.302,1099 3.065,1100 3.072,1101 4.398,1102 3.041,1103 3.179,1104 3.236,1105 3.018,1106 3.051,1107 4.288,1108 2.981,1109 0.159,1110 0.119,1111 0.239,1112 0.149,1113 0.114,1114 4.445,1115 0.135,1116 3.336,1117 0.027,1118 6.702,1119 0.388,1120 4.177,1121 0.113,1122 3.183,1123 3.781,1124 0.765,1125 10.862,1126 3.164,1127 1.844,1128 1.805,1129 2.036,1130 1.971,1131 1.372,1132 1.997,1133 1.786,1134 1.742,1135 1.997,1136 1.921,1137 1.337,1138 1.964,1139 1.708,1140 1.663,1141 1.893,1142 1.835,1143 1.278,1144 1.886,1145 1.618,1146 1.574,1147 1.817,1148 1.788,1149 1.152,1150 1.814,1151 1.512,1152 1.464,1153 1.791,1154 1.722,1155 1.016,1156 1.749,1157 1.46,1158 1.396,1159 1.745,1160 1.673,1161 0.952,1162 1.701,1163 1.363,1164 1.297,1165 1.585,1166 1.514,1167 0.839,1168 1.581,1169 1.175,1170 1.103,1171 1.448,1172 1.384,1173 0.676,1174 1.433,1175 4.043,1177 5.303,1178 2.398,1179 6.73,1180 4.844,1181 8.241,1182 6.986,1183 9.803,1185 3.817,1189 40.096,1190 6.477,1192 4.832,1194 -1.929,1199 36.748,1200 92.549,1201 202.583,1202 315.144,1203 368.918,1204 376.918,1205 376.918,1206 155.356,1207 6.492,1208 107.22,1209 117.03,1210 5,1211 12.066,1212 2,1213 2,1214 87.021,1215 131,1216 149,1217 0.308,1218 236.868,1219 426.79,1220 569.718,1221 5403,1223 20.993,1224 0.75,1225 0.651,1226 21.243,1227 18.214,1228 13.303,1229 0.475,1230 0.443,1231 10.688,1232 12.087,1233 10.286,1234 8.574,1235 14.156,1236 12.404,1237 11.563,1238 0.321,1239 0.269,1240 12.895,1241 9.668,1242 8.116,1243 0.203,1244 0.171,1245 9.007,1246 6.835,1247 6.28,1248 0.137,1249 0.105,1250 6.983,1251 4.824,1252 3.967,1253 0.088,1254 0.061,1255 4.287,1256 2.753,1257 0.504,1258 91.085,1259 0.241,1260 27.735,1261 0.792,1262 128,1263 363.682,1264 173.63,1265 348.301,1266 443.39,1267 320,1268 140,1269 265.261,1270 191.016,1271 291.331,1272 422.91,1273 275,1274 5}
{0 CHEMBL336543,1 1.41,2 12.808,3 1.616,4 2.611,5 105.42,6 6.402,8 4.144,9 4.269,10 3.688,11 3.651,12 5.113,13 3.547,14 4.741,15 4.92,16 3.876,17 4.043,18 5.946,19 3.904,20 5.122,21 5.377,22 3.825,23 4.171,24 6.059,25 3.998,26 5.124,27 5.398,28 3.772,29 4.141,30 6.087,31 3.95,32 5.053,33 5.327,34 3.718,35 4.064,36 5.996,37 3.887,38 4.984,39 5.247,40 3.754,41 4.025,42 5.988,43 3.862,44 5.007,45 5.264,46 3.662,47 4.022,48 6.004,49 3.837,50 4.999,51 5.281,52 3.609,53 3.994,54 5.866,55 3.781,56 0.179,57 0.778,58 19.205,59 7.185,60 38.353,61 8.734,62 0.453,63 1.238,64 30.556,65 11.805,66 103.667,67 14.863,68 0.526,69 1.502,70 41.786,71 14.027,72 110.522,73 18.954,74 0.608,75 1.473,76 41.771,77 13.923,78 119.755,79 18.941,80 0.485,81 1.363,82 38.297,83 12.695,84 102.023,85 17.447,86 0.482,87 1.3,88 35.886,89 12.087,90 101.639,91 16.527,92 0.615,93 1.3,94 37.748,95 12.284,96 116.926,97 16.508,98 0.499,99 1.266,100 37.162,101 12.246,102 98.79,103 16.36,104 78,105 34,106 0.235,107 0.507,108 0.763,109 0.893,110 0.915,111 0.915,112 3.302,113 1.322,114 -2.84,115 -2.85,116 -2.76,118 31.1,119 1,120 8,121 2,124 1,125 3,129 4,150 1,153 2,154 12,160 2,161 1,162 6,164 13,165 1,167 1,170 8,171 12,172 1,175 1,178 1,179 8,180 11,181 1,184 1,189 7,192 9,193 1,196 1,199 1,200 8,202 10,203 1,206 1,209 1,210 7,211 9,212 1,215 1,219 6,222 7,223 1,226 1,230 5,231 1,233 6,234 2,236 1304,237 16.681,238 16.681,239 16.681,240 16.681,241 16.681,242 16.06,243 12.491,244 10.309,245 16.788,246 12.798,247 12.798,248 12.798,249 12.798,250 12.798,251 11.792,252 12.336,253 4.882,254 13.014,255 4.52,256 2.887,257 1.353,258 0.57,259 0.439,260 0.439,261 3.945,265 1,266 1,267 645,268 4.796,270 91.383,277 2.346,278 43.808,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 57.667,289 333,290 4.377,291 3.336,292 6.682,293 4.13,294 3.148,295 3.716,296 0.765,297 10.723,298 3.098,299 4.172,300 3.099,301 6.394,302 4.098,303 3.098,304 3.21,306 9.951,307 3.088,308 3.503,309 2.813,310 5.354,311 3.336,312 2.374,313 2.573,315 6.314,316 2.275,317 3.216,318 2.38,319 5.027,320 3.005,321 2.044,322 2.276,324 5.958,325 1.962,326 2.991,327 2.141,328 4.661,329 2.783,330 1.8,331 1.991,333 4.755,334 1.764,335 2.747,336 1.903,337 3.841,338 2.632,339 1.645,340 1.73,342 3.543,343 1.621,344 2.573,345 1.645,346 3.637,347 2.551,348 1.568,349 1.572,351 3.085,352 1.536,353 2.333,354 1.486,355 3.499,356 2.148,357 1.164,358 1.275,360 2.536,361 1.142,362 2.162,363 0.96,364 3.241,365 1.844,366 0.851,367 1,369 1.807,370 0.844,371 1.645,372 0.765,373 2.936,374 1.576,375 0.601,376 0.622,378 1.11,379 0.583,380 1.416,381 0.568,382 2.628,383 1.264,384 0.274,385 0.298,387 0.584,388 0.271,389 1.006,390 0.16,391 2.382,392 0.788,393 -0.191,394 -0.208,395 -0.418,396 -0.186,397 0.639,398 -0.072,399 2.289,400 0.553,401 -0.416,402 -0.43,403 -0.723,404 -0.398,405 0.601,406 -0.261,407 2,408 0.332,409 -0.562,410 -0.566,411 -1.303,412 -0.491,413 0.456,414 -0.518,415 2,416 0.242,417 -0.718,418 -0.759,419 -1.666,420 -0.693,421 12.5,422 0.481,423 0.758,424 0.029,425 18,426 0.692,427 3.5,428 0.135,429 14.5,430 0.558,431 33.082,432 1.272,433 33.1,434 0.543,435 12.869,436 0.495,437 2.534,438 0.097,439 9.708,440 0.373,441 0.2,442 0.08,443 0.2,447 1.076,448 1.351,449 1.035,450 1.501,451 1.043,452 1.231,453 0.561,454 1.445,455 1.152,456 1.45,457 0.557,458 1.36,459 0.986,460 1.054,461 0.955,462 0.927,463 0.995,464 1.063,465 0.821,466 0.979,467 0.876,468 0.871,469 0.805,470 0.992,471 0.903,472 0.948,473 0.824,474 0.796,475 0.876,476 0.949,477 0.802,478 1.034,479 0.804,480 0.863,481 0.766,482 0.994,483 1.021,484 1.03,485 1.003,486 0.931,487 0.977,488 1.072,489 0.934,490 0.928,491 0.882,492 0.82,493 0.918,494 0.957,495 6,496 0.212,497 2.667,498 2.014,499 0.89,500 0.747,501 0.534,502 0.3,503 0.26,504 0.3,505 7695,506 21278,507 1.843,508 57.4,509 13,510 9,513 5,515 6,516 2,517 1.688,518 1.686,519 3.58,520 2.558,522 1,525 86.03,526 1.41,527 3.044,528 4.578,529 5.361,530 5.492,531 5.492,532 3.071,533 4.441,534 4.662,535 3.832,536 1245.56,537 8.072,538 17016.8,540 1,542 361.775,543 1.648,544 4.589,545 0.231,546 0.008,547 0.078,548 0.065,549 0.031,550 0.027,551 0.018,552 0.012,553 0.011,554 0.012,555 0.494,556 0.17,557 0.88,558 2.683,559 131.618,560 -0.226,561 0.095,562 0.158,563 0.019,564 -0.206,565 0.069,566 0.229,567 -0.179,568 -0.115,569 -0.203,570 0.242,571 -0.178,572 -0.091,573 -0.043,574 -0.076,575 -0.039,576 -0.097,577 -0.058,578 0.001,579 -0.003,580 -0.012,581 -0.004,582 -0.003,583 -0.005,584 -0.06,585 0.018,586 0.013,587 0.027,588 -0.049,589 0.03,590 0.033,591 -0.037,592 0.04,593 -0.015,594 0.043,595 0.007,596 -0.053,597 -0.042,598 -0.1,599 -0.041,600 -0.047,601 -0.086,602 -0.075,603 0.019,604 0.001,605 0.047,606 -0.079,607 0.009,608 4.737,609 4.184,610 0.192,611 31.959,612 0.997,613 1.139,614 1.614,615 2.604,616 0.608,617 3.296,618 3.555,619 3.611,620 3.761,621 3.784,622 3.761,623 3.738,624 3.738,625 3.761,626 3.784,627 7.578,628 0.552,629 390.51,630 3.296,631 4.796,632 5.565,633 6.409,634 7.207,635 8.061,636 8.878,637 9.739,638 10.569,639 11.434,670 61,671 3,673 26,675 61,676 19,681 1,682 1,685 1,688 3,689 2,691 11,693 4,694 15,695 2,696 3,698 1,699 4,702 1,704 1,707 35,708 6,709 5,710 7,711 1,717 1,718 6,719 3,724 1,725 1,730 1,741 4,746 5,748 1,752 1,756 26,759 5,760 9,764 5,773 9.8,774 5,776 1,779 15.417,780 9.867,781 5.958,782 3.941,784 1,785 0.849,786 1.134,787 0.812,788 10.938,789 7.203,790 3.401,791 3.738,792 3.829,793 4.06,794 4.22,795 4.394,796 4.466,797 4.533,798 4.615,799 4.71,800 0.889,801 31,802 10.03,803 4.457,804 8.114,805 18.748,806 15.67,807 2.614,808 67.972,812 354.381,813 67.006,816 222.577,818 1.248,819 67.006,820 575.71,822 8.825,823 20.276,824 241.467,825 20.263,828 353.133,830 353.133,831 67.006,832 222.577,833 1.248,835 258.964,836 114.432,837 202.314,839 29.101,841 39.153,843 353.133,844 222.577,845 67.006,846 1.248,847 1.248,848 353.133,849 20.276,850 46.73,852 222.577,853 353.133,854 222.577,855 68.254,857 0.564,858 0.284,859 0.14,860 0.072,861 11,862 7,863 0.197,864 12,866 1,867 3.794,868 181.892,870 5,871 118.211,874 23.559,875 12.072,876 9.874,878 222.577,886 202.314,887 643.964,888 29,890 10.786,891 7.347,894 -3.932,895 60.843,896 69.454,897 0.238,898 0.513,899 0.772,900 0.904,901 0.926,902 0.926,903 4.644,904 1.164,905 5.572,906 3.085,907 4.234,908 4.419,909 0.775,910 6.34,911 4.199,912 5.79,913 0.851,914 7.117,915 2.536,916 4.007,917 4.29,919 7.486,920 3.94,921 7.07,922 0.601,923 8.78,924 1.807,925 5.844,926 6.26,927 0.521,928 10.395,929 5.784,930 8.386,931 0.274,932 10.513,933 1.11,934 6.415,935 6.948,937 12.328,938 6.334,939 9.74,940 -0.191,941 12.289,942 0.584,943 7.797,944 8.472,945 0.336,946 14.852,947 7.72,948 11.12,949 -0.416,950 14.094,951 -0.418,952 8.705,953 9.507,955 17.052,956 8.614,957 12.52,958 -0.562,959 15.919,960 -0.723,961 9.928,962 10.88,963 0.21,964 19.461,965 9.836,966 3.148,967 -0.718,968 17.758,969 -1.303,970 10.975,971 12.062,973 21.756,974 10.871,975 3.098,976 10.723,977 19.607,978 -1.666,979 12.142,980 13.383,981 0.128,982 24.127,983 12.033,984 2.374,985 9.951,986 21.464,987 3.716,988 13.243,989 14.629,991 26.457,992 13.124,993 2.044,994 6.314,995 23.328,996 3.21,997 14.391,998 15.933,999 0.077,1000 28.816,1001 14.265,1002 1.8,1003 5.958,1004 25.196,1005 2.573,1006 15.515,1007 17.208,1009 31.16,1010 15.379,1011 1.645,1012 4.755,1013 27.067,1014 2.276,1015 16.656,1016 18.508,1017 0.046,1018 33.516,1019 16.512,1020 1.568,1021 3.543,1022 28.942,1023 1.991,1024 17.789,1025 19.798,1027 35.867,1028 17.634,1029 8204,1030 13804,1031 15.89,1032 37.114,1033 37.73,1034 37.708,1035 38.259,1036 37.243,1037 37.13,1038 40.523,1039 1.529,1040 100.733,1041 36.365,1042 5.292,1043 5.212,1044 6.593,1045 5.112,1046 5.131,1047 6.105,1048 1.529,1049 17.488,1050 5.081,1051 18.052,1052 1.451,1053 1.45,1054 1.471,1055 1.432,1056 1.428,1057 1.559,1058 0.059,1059 3.874,1060 1.399,1061 3.976,1062 4.012,1063 4.436,1064 3.963,1065 7.468,1066 3.87,1067 3.794,1068 3.827,1069 3.87,1070 3.862,1071 6.465,1072 3.674,1073 3.756,1074 3.813,1075 3.609,1076 3.633,1077 6.449,1078 3.614,1079 3.572,1080 3.612,1081 3.509,1082 3.518,1083 6.434,1084 3.442,1085 3.519,1086 3.567,1087 3.366,1088 3.381,1089 6.433,1090 3.361,1091 3.226,1092 3.303,1093 3.077,1094 3.082,1095 6.23,1096 3.043,1097 3.209,1098 3.266,1099 3.018,1100 3.057,1101 4.428,1102 3.011,1103 2.983,1104 3.037,1105 2.809,1106 2.705,1107 4.288,1108 2.706,1109 0.168,1110 0.128,1111 0.257,1112 0.159,1113 0.121,1114 4.377,1115 0.143,1116 3.336,1117 0.029,1118 6.682,1119 0.412,1120 4.13,1121 0.119,1122 3.148,1123 3.716,1124 0.765,1125 10.723,1126 3.098,1127 1.844,1128 1.804,1129 2.036,1130 1.97,1131 1.372,1132 1.996,1133 1.783,1134 1.737,1135 1.997,1136 1.92,1137 1.335,1138 1.961,1139 1.701,1140 1.655,1141 1.892,1142 1.829,1143 1.27,1144 1.876,1145 1.611,1146 1.567,1147 1.813,1148 1.779,1149 1.151,1150 1.806,1151 1.49,1152 1.442,1153 1.745,1154 1.681,1155 1.016,1156 1.711,1157 1.41,1158 1.363,1159 1.587,1160 1.545,1161 0.846,1162 1.617,1163 1.184,1164 1.113,1165 1.45,1166 1.394,1167 0.675,1168 1.443,1169 1.036,1170 0.977,1171 1.27,1172 1.275,1173 0.55,1174 1.32,1175 3.97,1177 5.242,1178 2.398,1179 6.666,1180 4.844,1181 8.168,1182 6.986,1183 9.72,1185 2.114,1189 48.004,1190 5.67,1194 -2.017,1199 33.695,1200 86.03,1201 185.689,1202 279.246,1203 327.02,1204 335.02,1205 335.02,1206 137.731,1207 6.354,1208 118.22,1209 128.03,1210 5,1211 11.989,1212 2,1213 2,1214 76.784,1215 112,1216 131,1217 0.319,1218 217.683,1219 392.19,1220 522.907,1221 4401,1223 19.579,1224 0.753,1225 0.636,1226 19.829,1227 16.546,1228 12.242,1229 0.471,1230 0.441,1231 9.731,1232 11.128,1233 9.378,1234 7.803,1235 13.169,1236 11.461,1237 11.21,1238 0.33,1239 0.267,1240 12.615,1241 9.074,1242 7.263,1243 0.202,1244 0.163,1245 7.726,1246 5.869,1247 5.53,1248 0.132,1249 0.096,1250 5.858,1251 4.043,1252 3.79,1253 0.088,1254 0.057,1255 4.022,1256 2.433,1257 0.518,1258 85.026,1259 0.251,1260 25.984,1261 0.83,1262 120,1263 344.096,1264 161.034,1265 335.597,1266 418.65,1267 304,1268 130,1269 245.353,1270 175.341,1271 273.154,1272 391.28,1273 256,1274 6}
{0 CHEMBL336781,1 1.361,2 12.808,3 1.723,4 2.968,5 108.802,6 6.167,8 4.164,9 4.296,10 3.67,11 3.704,12 5.093,13 3.574,14 4.768,15 4.962,16 3.86,17 4.095,18 5.795,19 3.934,20 5.155,21 5.41,22 3.83,23 4.21,24 6.085,25 4.03,26 5.161,27 5.444,28 3.767,29 4.181,30 6.075,31 3.976,32 5.081,33 5.363,34 3.713,35 4.103,36 5.973,37 3.912,38 5.017,39 5.287,40 3.75,41 4.062,42 5.978,43 3.886,44 5.027,45 5.289,46 3.657,47 4.054,48 5.994,49 3.859,50 5.017,51 5.305,52 3.604,53 4.03,54 5.842,55 3.805,56 0.144,57 0.813,58 19.382,59 7.751,60 27.716,61 9.339,62 0.282,63 1.302,64 32.54,65 12.802,66 59.39,67 15.734,68 0.517,69 1.575,70 42.627,71 14.642,72 96.579,73 19.717,74 0.562,75 1.551,76 42.269,77 14.662,78 101.802,79 19.884,80 0.433,81 1.431,82 38.489,83 13.325,84 84.578,85 18.24,86 0.467,87 1.363,88 36.415,89 12.658,90 88.212,91 17.255,92 0.576,93 1.354,94 37.81,95 12.753,96 99.388,97 17.077,98 0.435,99 1.325,100 36.922,101 12.771,102 76.601,103 16.98,104 78,105 34,106 0.225,107 0.492,108 0.77,109 0.896,110 0.917,111 0.917,112 3.302,113 1.408,114 -3.44,115 -3.42,116 -3.27,118 31.7,119 1,120 8,121 2,123 1,124 1,125 3,129 4,150 1,153 1,154 12,160 1,162 6,164 13,165 1,167 1,170 7,171 12,172 1,175 1,178 1,179 7,180 11,181 1,184 1,189 6,192 9,193 1,196 1,199 1,200 7,202 10,203 1,206 1,209 1,210 6,211 9,212 1,215 1,219 5,222 7,223 1,226 1,230 4,231 1,233 6,234 2,236 1304,237 16.681,238 16.681,239 16.681,240 16.681,241 16.681,242 16.06,243 12.491,244 10.309,245 16.788,246 12.798,247 12.798,248 12.798,249 12.798,250 12.798,251 11.792,252 12.336,253 4.882,254 13.014,255 4.616,256 3.002,257 1.322,258 0.564,259 0.437,260 0.437,261 3.945,265 1,266 1,267 645,268 4.796,270 91.383,277 2.346,278 40.142,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 56.667,289 333,290 4.377,291 3.336,292 6.682,293 4.13,294 3.148,295 3.716,296 0.765,297 10.723,298 3.098,299 4.172,300 3.099,301 6.394,302 4.098,303 3.098,304 3.21,306 9.951,307 3.088,308 3.503,309 2.813,310 5.354,311 3.336,312 2.374,313 2.573,315 6.314,316 2.275,317 3.216,318 2.38,319 5.027,320 3.005,321 2.044,322 2.276,324 5.958,325 1.962,326 2.991,327 2.141,328 4.661,329 2.783,330 1.8,331 1.991,333 4.755,334 1.764,335 2.747,336 1.903,337 3.841,338 2.632,339 1.645,340 1.73,342 3.543,343 1.621,344 2.573,345 1.645,346 3.637,347 2.551,348 1.568,349 1.572,351 3.085,352 1.536,353 2.333,354 1.486,355 3.499,356 2.148,357 1.164,358 1.275,360 2.536,361 1.142,362 2.162,363 0.96,364 3.241,365 1.844,366 0.851,367 1,369 1.807,370 0.844,371 1.645,372 0.765,373 2.936,374 1.576,375 0.601,376 0.622,378 1.11,379 0.583,380 1.416,381 0.568,382 2.628,383 1.264,384 0.274,385 0.298,387 0.584,388 0.271,389 1.006,390 0.16,391 2.382,392 0.788,393 -0.191,394 -0.208,395 -0.418,396 -0.186,397 0.639,398 -0.072,399 2.289,400 0.553,401 -0.416,402 -0.43,403 -0.723,404 -0.398,405 0.601,406 -0.261,407 2,408 0.332,409 -0.562,410 -0.566,411 -1.303,412 -0.491,413 0.456,414 -0.518,415 2,416 0.242,417 -0.718,418 -0.759,419 -1.666,420 -0.693,421 12.667,422 0.487,423 0.758,424 0.029,425 17.75,426 0.683,427 3.5,428 0.135,429 14.25,430 0.548,431 34.137,432 1.313,433 32.933,434 0.523,435 11.815,436 0.454,437 2.331,438 0.09,439 9.911,440 0.381,441 0.211,442 0.079,443 0.197,447 1.025,448 1.345,449 1.087,450 1.432,451 1.006,452 1.256,453 0.687,454 1.458,455 1.315,456 1.605,457 0.676,458 1.347,459 1.157,460 1.061,461 1.008,462 0.935,463 1.184,464 1.08,465 0.836,466 0.965,467 0.868,468 0.862,469 0.816,470 0.974,471 0.931,472 0.947,473 0.824,474 0.798,475 0.902,476 0.944,477 0.848,478 1.015,479 0.809,480 0.853,481 0.809,482 0.978,483 1.116,484 1.025,485 1.021,486 0.93,487 1.058,488 1.066,489 0.971,490 0.94,491 0.891,492 0.833,493 0.947,494 0.965,495 6,496 0.212,497 2.667,498 2.014,499 0.89,500 0.747,501 0.534,502 0.3,503 0.26,504 0.3,505 7695,506 18790,507 1.843,508 58.7,509 13,510 12,513 4,515 6,516 2,517 1.688,518 1.686,519 3.58,520 1.697,522 1,525 85.771,526 1.361,527 2.975,528 4.655,529 5.414,530 5.541,531 5.541,532 3.071,533 4.441,534 4.662,535 3.832,536 1245.56,537 8.072,538 17016.8,540 1,542 376.569,543 1.648,544 4.589,545 0.231,546 0.008,547 0.078,548 0.065,549 0.031,550 0.027,551 0.018,552 0.012,553 0.011,554 0.012,555 0.494,556 0.17,557 0.88,558 2.683,559 131.618,560 -0.182,561 0.093,562 0.145,563 0.081,564 -0.183,565 0.062,566 0.102,567 -0.192,568 -0.147,569 -0.232,570 0.117,571 -0.151,572 -0.114,573 -0.051,574 -0.104,575 -0.048,576 -0.122,577 -0.08,578 0.02,579 0.003,580 0.001,581 0.001,582 0.016,583 0.004,584 -0.049,585 0.017,586 0.019,587 0.026,588 -0.042,589 0.03,590 0.05,591 -0.027,592 0.046,593 -0.007,594 0.053,595 0.014,596 -0.046,597 -0.038,598 -0.101,599 -0.039,600 -0.041,601 -0.084,602 -0.071,603 0.013,604 -0.001,605 0.04,606 -0.073,607 0.001,608 3.737,609 4.231,610 0.192,611 31.959,612 0.99,613 1.137,614 2.207,615 4.872,616 0.61,617 3.296,618 3.555,619 3.611,620 3.761,621 3.784,622 3.761,623 3.738,624 3.738,625 3.761,626 3.784,627 7.578,628 0.548,629 388.54,630 3.296,631 4.796,632 5.565,633 6.409,634 7.207,635 8.061,636 8.878,637 9.739,638 10.569,639 11.434,670 63,671 3,673 26,675 63,676 20,681 1,682 1,685 1,688 3,689 2,691 11,693 4,694 16,695 2,696 3,698 1,699 4,702 1,704 1,707 37,708 5,709 4,710 6,711 1,717 1,718 5,719 3,724 1,730 1,741 4,746 4,748 1,752 2,756 26,759 4,760 9,764 5,773 7.9,774 4,776 1,779 15.417,780 10.667,781 5.958,782 4.101,783 1,785 0.849,786 1.134,787 0.822,788 10.985,789 7.203,790 3.401,791 3.738,792 3.829,793 4.06,794 4.22,795 4.394,796 4.466,797 4.533,798 4.615,799 4.71,800 0.889,801 31,802 9.914,803 4.268,804 7.96,805 19.046,806 16.003,807 2.46,808 63.972,812 394.509,813 73.002,816 185.445,818 6.063,819 73.002,820 573.891,822 14.821,823 26.339,824 203.087,825 20.263,828 388.446,830 388.446,831 73.002,832 185.445,833 6.063,835 294.278,836 114.432,837 165.182,839 29.101,840 5.996,841 43.968,843 388.446,844 185.445,845 73.002,846 6.063,847 6.063,848 388.446,849 20.276,850 52.726,852 185.445,853 388.446,854 185.445,855 79.065,857 0.564,858 0.284,859 0.14,860 0.072,861 11,862 7,863 0.19,864 12,866 1,867 3.794,868 181.892,870 5,871 122.211,874 23.598,875 12.103,876 9.902,878 185.445,886 165.182,887 652.957,888 29,890 11.231,891 7.6,894 -2.932,895 62.4,896 71.66,897 0.228,898 0.498,899 0.779,900 0.906,901 0.927,902 0.927,903 4.644,904 1.164,905 5.572,906 3.085,907 4.234,908 4.419,909 0.775,910 6.34,911 4.199,912 5.79,913 0.851,914 7.117,915 2.536,916 4.007,917 4.29,919 7.486,920 3.94,921 7.07,922 0.601,923 8.78,924 1.807,925 5.844,926 6.26,927 0.521,928 10.395,929 5.784,930 8.386,931 0.274,932 10.513,933 1.11,934 6.415,935 6.948,937 12.328,938 6.334,939 9.74,940 -0.191,941 12.289,942 0.584,943 7.797,944 8.472,945 0.336,946 14.852,947 7.72,948 11.12,949 -0.416,950 14.094,951 -0.418,952 8.705,953 9.507,955 17.052,956 8.614,957 12.52,958 -0.562,959 15.919,960 -0.723,961 9.928,962 10.88,963 0.21,964 19.461,965 9.836,966 3.148,967 -0.718,968 17.758,969 -1.303,970 10.975,971 12.062,973 21.756,974 10.871,975 3.098,976 10.723,977 19.607,978 -1.666,979 12.142,980 13.383,981 0.128,982 24.127,983 12.033,984 2.374,985 9.951,986 21.464,987 3.716,988 13.243,989 14.629,991 26.457,992 13.124,993 2.044,994 6.314,995 23.328,996 3.21,997 14.391,998 15.933,999 0.077,1000 28.816,1001 14.265,1002 1.8,1003 5.958,1004 25.196,1005 2.573,1006 15.515,1007 17.208,1009 31.16,1010 15.379,1011 1.645,1012 4.755,1013 27.067,1014 2.276,1015 16.656,1016 18.508,1017 0.046,1018 33.516,1019 16.512,1020 1.568,1021 3.543,1022 28.942,1023 1.991,1024 17.789,1025 19.798,1027 35.867,1028 17.634,1029 8204,1030 12904,1031 15.89,1032 38.421,1033 37.73,1034 37.708,1035 38.259,1036 37.243,1037 37.13,1038 40.523,1039 1.529,1040 100.733,1041 36.365,1042 5.292,1043 5.212,1044 6.593,1045 5.112,1046 5.131,1047 6.105,1048 1.529,1049 17.488,1050 5.081,1051 18.052,1052 1.451,1053 1.45,1054 1.471,1055 1.432,1056 1.428,1057 1.559,1058 0.059,1059 3.874,1060 1.399,1061 3.978,1062 4.014,1063 4.454,1064 4.051,1065 7.424,1066 3.873,1067 3.826,1068 3.861,1069 3.87,1070 3.867,1071 6.465,1072 3.727,1073 3.757,1074 3.815,1075 3.609,1076 3.633,1077 6.449,1078 3.617,1079 3.595,1080 3.642,1081 3.51,1082 3.53,1083 6.434,1084 3.477,1085 3.525,1086 3.582,1087 3.366,1088 3.382,1089 6.343,1090 3.367,1091 3.248,1092 3.322,1093 3.082,1094 3.106,1095 4.429,1096 3.064,1097 3.221,1098 3.299,1099 3.018,1100 3.061,1101 4.288,1102 3.036,1103 2.989,1104 3.041,1105 2.811,1106 2.722,1107 4.158,1108 2.718,1109 0.168,1110 0.128,1111 0.257,1112 0.159,1113 0.121,1114 4.377,1115 0.143,1116 3.336,1117 0.029,1118 6.682,1119 0.412,1120 4.13,1121 0.119,1122 3.148,1123 3.716,1124 0.765,1125 10.723,1126 3.098,1127 1.852,1128 1.812,1129 2.036,1130 1.971,1131 1.377,1132 2.001,1133 1.803,1134 1.761,1135 1.999,1136 1.922,1137 1.348,1138 1.972,1139 1.728,1140 1.678,1141 1.896,1142 1.835,1143 1.302,1144 1.896,1145 1.627,1146 1.58,1147 1.817,1148 1.785,1149 1.153,1150 1.815,1151 1.513,1152 1.465,1153 1.746,1154 1.687,1155 1.018,1156 1.724,1157 1.445,1158 1.385,1159 1.63,1160 1.598,1161 0.956,1162 1.668,1163 1.223,1164 1.145,1165 1.533,1166 1.426,1167 0.727,1168 1.477,1169 1.098,1170 1.023,1171 1.427,1172 1.342,1173 0.611,1174 1.373,1175 3.97,1177 5.242,1178 2.398,1179 6.666,1180 4.844,1181 8.168,1182 6.986,1183 9.72,1185 3.502,1189 39.714,1190 6.688,1194 -1.831,1199 34.507,1200 85.771,1201 187.423,1202 293.284,1203 341.059,1204 349.059,1205 349.059,1206 141.982,1207 6.354,1208 97.99,1209 107.8,1210 5,1211 11.989,1212 2,1213 2,1214 76.784,1215 112,1216 131,1217 0.319,1218 223.279,1219 400.7,1220 536.561,1221 4401,1223 19.579,1224 0.753,1225 0.658,1226 19.829,1227 17.099,1228 12.242,1229 0.471,1230 0.469,1231 10.041,1232 11.166,1233 9.555,1234 7.979,1235 13.169,1236 12.203,1237 11.21,1238 0.33,1239 0.301,1240 12.615,1241 10.233,1242 7.263,1243 0.202,1244 0.173,1245 7.726,1246 6.24,1247 5.53,1248 0.132,1249 0.103,1250 5.858,1251 4.306,1252 3.79,1253 0.088,1254 0.06,1255 4.022,1256 2.584,1257 0.518,1258 84.526,1259 0.251,1260 25.984,1261 0.83,1262 120,1263 311.947,1264 157.824,1265 307.356,1266 385.37,1267 280,1268 130,1269 228.457,1270 171.582,1271 252.659,1272 357.6,1273 236,1274 6.507}
{0 CHEMBL350832,1 1.531,2 8.55,3 5.206,4 27.098,5 82.482,6 9.599,7 0.571,8 3.549,9 3.623,10 3.318,11 3.248,12 4.792,13 3.207,14 3.989,15 4.09,16 3.694,17 3.61,18 5.359,19 3.539,20 4.248,21 4.398,22 3.739,23 3.742,24 5.397,25 3.626,26 4.269,27 4.448,28 3.743,29 3.686,30 5.376,31 3.54,32 4.19,33 4.397,34 3.545,35 3.579,36 5.271,37 3.469,38 4.17,39 4.328,40 3.636,41 3.559,42 5.456,43 3.467,44 4.124,45 4.294,46 3.426,47 3.379,48 5.428,49 3.263,50 3.813,51 4.024,52 3.193,53 3.025,54 5.057,55 2.889,56 0.056,57 0.334,58 3.723,59 2.594,60 9.577,61 3.057,62 0.158,63 0.525,64 6.885,65 4.317,66 27.193,67 5.359,68 0.218,69 0.681,70 15.805,71 6.345,72 33.267,73 7.608,74 0.291,75 0.704,76 22.945,77 6.947,78 39.06,79 8.515,80 0.167,81 0.689,82 15.721,83 6.398,84 26.324,85 8.361,86 0.219,87 0.628,88 15.995,89 5.974,90 32.188,91 6.959,92 0.338,93 0.593,94 17.068,95 5.838,96 53.83,97 6.09,98 0.216,99 0.433,100 15.845,101 4.718,102 31.689,103 5.507,104 20,105 28,106 0.286,107 0.594,108 0.76,109 0.898,110 0.922,111 0.922,112 3.057,113 0.964,114 -5.92,115 -5.78,116 -5.38,118 50,120 1,129 2,133 7,134 3,135 2,145 1,150 1,153 1,154 12,155 1,158 1,160 1,162 1,164 20,165 1,167 1,170 1,171 19,172 1,175 1,179 1,180 16,181 2,184 2,189 2,192 13,193 3,196 3,200 3,202 12,203 2,206 2,210 2,211 8,212 1,215 1,219 1,222 3,223 3,226 3,230 3,233 2,236 524,237 13.137,238 13.137,239 13.137,240 13.137,241 13.137,242 11.245,243 11.411,244 7.921,245 13.39,246 10.365,247 10.365,248 10.365,249 10.365,250 10.365,251 7.576,252 12.441,253 3.792,254 10.87,255 3.469,256 1.818,257 0.927,258 0.188,259 0.063,260 0.063,261 3.714,262 2,265 1,266 1,267 348,268 2.915,271 132.808,277 1.25,278 20.268,280 0.75,281 0.83,282 1,283 0.6,285 1,286 1,287 0.74,288 42.667,289 171,290 4.311,291 3.475,292 6.23,293 3.932,294 2.955,295 3.947,296 1.437,297 9.359,298 2.901,299 4.137,300 3.31,301 5.97,302 3.684,303 2.73,304 3.775,305 0.68,306 8.426,307 2.56,308 3.629,309 2.953,310 4.965,311 3.204,312 2.205,313 2.882,315 5.84,316 2.179,317 3.45,318 2.702,319 4.684,320 2.987,321 2.095,322 2.762,324 5.2,325 1.796,326 2.965,327 2.053,328 4.382,329 2.539,330 1.584,331 2.113,333 4.248,334 1.502,335 2.924,336 1.585,337 4.075,338 2.456,339 1.472,340 2.084,342 3.54,343 1.419,344 2.775,345 1.457,346 3.622,347 2.293,348 1.333,349 1.892,351 3.017,352 1.218,353 2.316,354 0.881,355 3.034,356 1.619,357 0.619,358 0.96,360 1.367,361 0.612,362 1.645,363 0.769,364 2.889,365 1.275,366 0.347,367 0.437,369 0.815,370 0.291,371 1.101,372 0.416,373 2.359,374 0.695,375 -0.246,376 -0.312,378 -0.578,379 -0.211,380 0.798,381 0.256,382 2.233,383 0.287,384 -0.514,385 -0.621,387 -1.242,388 -0.293,389 0.686,390 0.079,391 2,392 0.255,393 -0.71,394 -0.882,395 -1.768,396 -0.657,397 0.486,398 -0.508,399 1.884,401 -1,402 -1.319,403 -2,404 -0.893,405 0.352,406 -0.784,407 1.467,408 -0.076,409 -1,410 -1.383,411 -2.591,412 -0.964,413 0.021,414 -1.118,415 1.368,416 -0.273,417 -1.251,418 -1.718,419 -3.307,420 -1.129,421 10.095,422 0.505,423 0.527,424 0.026,425 26.5,426 1.325,427 15,428 0.75,429 11.5,430 0.575,431 14.011,432 0.701,433 20.505,434 0.641,435 17.791,436 0.89,437 5.518,438 0.276,439 4.04,440 0.202,441 0.208,443 0.297,447 0.654,448 0.87,449 0.526,450 0.705,451 0.708,452 0.74,453 0.441,454 1.063,455 0.623,456 0.874,457 0.375,458 0.938,459 0.838,460 1.045,461 1.012,462 1.013,463 0.787,464 1.083,465 0.713,466 1.045,467 0.993,468 1.077,469 0.669,470 1.137,471 0.501,472 0.948,473 0.58,474 0.834,475 0.5,476 0.851,477 1.043,478 1.098,479 0.973,480 1.051,481 1.038,482 1.027,483 1.577,484 1.033,485 1.16,486 1.015,487 1.707,488 1.096,489 1.271,490 0.967,491 1.198,492 0.987,493 1.202,494 0.932,495 4.5,496 0.058,497 2.222,498 0.938,499 1.076,500 0.604,501 0.326,502 0.332,503 0.193,504 0.071,505 3465,506 14133,507 1.966,508 37.5,509 2,510 9,513 1,517 1.62,518 1.818,519 3.099,520 -0.32,525 48.98,526 1.531,527 3.182,528 4.073,529 4.813,530 4.938,531 4.938,532 2.485,533 3.684,534 4.292,535 3.217,536 611.135,537 7.346,538 6331.98,542 160,543 1.485,544 4.237,545 0.214,546 0.019,547 0.079,548 0.035,549 0.047,550 0.025,551 0.014,552 0.02,553 0.016,554 0.008,555 0.477,556 0.5,557 0.88,558 1.329,559 88.719,560 -0.059,561 0.096,562 -0.012,563 0.078,564 -0.107,565 0.051,566 0.172,567 -0.103,568 0.01,569 -0.044,570 0.243,571 -0.09,572 -0.106,573 -0.086,574 -0.123,575 -0.083,576 -0.09,577 -0.137,578 0.012,579 -0.082,580 -0.002,581 -0.099,582 -0.034,583 -0.127,584 0.087,585 0.048,586 0.159,587 0.121,588 0.096,589 0.188,590 -0.094,591 -0.13,592 -0.06,593 -0.097,594 -0.069,595 -0.068,596 -0.294,597 -0.052,598 -0.162,599 -0.015,600 -0.32,601 -0.123,602 -0.103,603 0.007,604 0.048,605 0.103,606 -0.065,607 0.159,608 2.635,609 3.611,610 0.6,611 14.4,612 1.015,613 1.1,614 4.691,615 22.001,616 0.749,617 3.091,618 3.367,619 3.526,620 3.714,621 3.932,622 3.871,623 3.829,624 3.892,625 3.85,626 3.638,627 5.171,628 0.712,629 307.18,630 3.091,631 4.595,632 5.398,633 6.244,634 7.072,635 7.923,636 8.761,637 9.613,638 10.457,639 11.31,651 7,656 5,658 12,669 2,670 32,671 14,672 2,673 21,675 33,676 16,677 12,678 5,679 7,680 3,681 2,682 2,683 2,691 1,693 15,694 1,696 2,698 1,699 2,701 1,707 12,708 2,709 1,710 4,711 2,717 1,718 2,731 2,739 1,741 2,746 1,748 2,753 2,756 20,759 1,760 1,772 2,773 6.3,775 1,776 1,779 11,780 5.652,781 4.472,782 1.76,785 2.842,786 1.454,787 0.944,788 4.961,789 9.098,790 3.401,791 3.97,792 4.466,793 4.961,794 5.503,795 5.588,796 5.816,797 6.187,798 6.488,799 6.595,800 0.833,801 27,802 7.315,803 3.018,804 8.036,805 13.601,806 10.72,807 2.536,808 50.722,812 129.482,813 105.289,815 78.297,816 67.828,819 105.289,820 275.608,823 2.535,824 85.286,825 68.738,826 16.558,828 129.482,829 78.297,830 129.482,831 105.289,832 67.828,833 78.297,835 129.482,836 67.828,839 2.535,840 83.802,841 97.25,843 129.482,844 67.828,845 183.586,848 129.482,849 20.002,850 85.286,852 146.126,853 129.482,854 67.828,855 183.586,857 0.573,858 0.308,859 0.158,860 0.094,861 12,862 6,863 0.121,864 4,866 1,867 3.2,868 139.832,870 12,871 86.439,874 14.792,875 6.708,876 4.196,878 67.828,879 12.978,884 4.023,886 42.683,887 380.896,888 29,890 10.611,891 2.712,893 -0.968,895 32.487,896 35.213,897 0.306,898 0.636,899 0.815,900 0.963,901 0.988,902 0.988,903 4.595,904 0.619,905 5.371,906 3.017,907 4.043,908 4.654,909 1.801,910 6.107,911 3.954,912 5.804,913 0.347,914 6.889,915 1.367,916 3.611,917 4.388,919 6.88,920 3.386,921 7.092,922 -0.246,923 8.504,924 0.815,925 5.565,926 6.802,927 2.297,928 9.915,929 5.418,930 8.413,931 -0.514,932 10.176,933 -0.578,934 5.889,935 7.288,937 11.498,938 5.626,939 9.761,940 -0.71,941 11.885,942 -1.242,943 7.351,944 9.201,945 2.933,946 14.049,947 7.15,948 11.127,949 -1,950 13.619,951 -1.768,952 8.042,953 10.067,955 15.978,956 7.753,957 12.509,958 -1,959 15.372,960 -2,961 9.287,962 11.738,963 3.621,964 18.339,965 9.034,966 2.955,967 -1.251,968 17.139,969 -2.591,970 10.165,971 12.813,973 20.422,974 9.85,975 2.73,976 9.359,977 18.917,978 -3.307,979 11.31,980 14.351,981 4.33,982 22.703,983 11.009,984 2.205,985 8.426,986 20.703,987 3.947,988 12.282,989 15.545,991 24.857,992 11.938,993 2.095,994 5.84,995 22.495,996 3.775,997 13.381,998 17.009,999 5.048,1000 27.103,1001 13.038,1002 1.584,1003 5.2,1004 24.293,1005 2.882,1006 14.401,1007 18.271,1009 29.291,1010 14.027,1011 1.472,1012 4.248,1013 26.095,1014 2.762,1015 15.481,1016 19.692,1017 5.769,1018 31.523,1019 15.1,1020 1.333,1021 3.54,1022 27.9,1023 2.113,1024 16.525,1025 20.994,1027 33.729,1028 16.12,1029 3576,1030 7303,1031 13.523,1032 23.955,1033 31.446,1034 31.828,1035 31.703,1036 31.007,1037 30.681,1038 41.702,1039 4.233,1040 83.62,1041 28.954,1042 5.084,1043 5.475,1044 5.916,1045 4.932,1046 4.955,1047 6.947,1048 2.873,1049 15.812,1050 4.901,1051 11.081,1052 1.497,1053 1.516,1054 1.51,1055 1.477,1056 1.461,1057 1.986,1058 0.202,1059 3.982,1060 1.379,1061 4.004,1062 4.025,1063 4.103,1064 3.964,1065 7.476,1066 3.955,1067 3.843,1068 3.86,1069 3.871,1070 3.802,1071 6.351,1072 3.791,1073 3.542,1074 3.551,1075 3.59,1076 3.379,1077 5.018,1078 3.394,1079 3.181,1080 3.231,1081 3.48,1082 3.096,1083 4.747,1084 3.075,1085 2.973,1086 2.991,1087 3.166,1088 2.8,1089 4.624,1090 2.777,1091 2.879,1092 2.922,1093 2.889,1094 2.75,1095 4.131,1096 2.769,1097 2.75,1098 2.796,1099 2.807,1100 2.657,1101 4.112,1102 2.638,1103 2.546,1104 2.596,1105 2.452,1106 2.326,1107 3.701,1108 2.332,1109 0.205,1110 0.165,1111 0.297,1112 0.187,1113 0.141,1114 4.311,1115 0.188,1116 3.475,1117 0.068,1118 6.23,1119 0.446,1120 3.932,1121 0.138,1122 2.955,1123 3.947,1124 1.437,1125 9.359,1126 2.901,1127 1.984,1128 1.965,1129 2.079,1130 2.046,1131 1.265,1132 2.061,1133 1.836,1134 1.819,1135 1.913,1136 1.898,1137 1.035,1138 1.915,1139 1.47,1140 1.45,1141 1.624,1142 1.666,1143 0.631,1144 1.642,1145 1.19,1146 1.143,1147 1.421,1148 1.333,1149 0.595,1150 1.372,1151 0.874,1152 0.849,1153 1.111,1154 1.154,1155 0.17,1156 1.126,1157 0.868,1158 0.824,1159 1.097,1160 1.017,1161 0.145,1162 1.06,1163 0.725,1164 0.693,1165 0.938,1166 0.927,1168 0.958,1169 0.484,1170 0.439,1171 0.736,1172 0.7,1174 0.735,1175 3.761,1177 5.043,1179 6.512,1181 8.069,1183 9.673,1186 12.038,1189 8.707,1190 0.621,1199 22.772,1200 48.98,1201 101.819,1202 130.349,1203 154,1204 158,1205 158,1206 35.803,1207 6.256,1208 37.3,1209 37.3,1210 12,1211 11.868,1212 3.907,1213 3.17,1214 36.299,1215 60,1216 58,1217 0.296,1218 150.7,1219 265.72,1220 359.468,1221 3680,1222 6.3,1223 14.535,1224 0.727,1225 0.601,1226 15.535,1227 12.027,1228 9.559,1229 0.455,1230 0.321,1231 6.02,1232 8.809,1233 5.801,1234 4.804,1235 10.136,1236 6.745,1237 8.667,1238 0.31,1239 0.183,1240 9.446,1241 5.127,1242 6.396,1243 0.194,1244 0.104,1245 7.012,1246 3.444,1247 4.989,1248 0.125,1249 0.059,1250 5.67,1251 2.364,1252 4.075,1253 0.082,1254 0.032,1255 4.473,1256 1.594,1257 0.455,1258 64.857,1259 0.272,1260 19.903,1261 0.835,1262 98,1263 316.292,1264 133.467,1265 370.383,1266 469.41,1267 340,1268 110,1269 281.392,1270 134.127,1271 308.383,1272 441.79,1273 289,1274 4.201}
{0 CHEMBL35715,1 1.308,2 14.433,3 3.816,4 14.561,5 115.747,6 6.215,7 0.194,8 4.267,9 4.387,10 3.628,11 3.733,12 5.281,13 3.682,14 4.86,15 5.042,16 3.943,17 4.154,18 5.845,19 4.055,20 5.23,21 5.476,22 3.976,23 4.322,24 6.1,25 4.178,26 5.304,27 5.57,28 3.912,29 4.33,30 6.183,31 4.157,32 5.309,33 5.591,34 3.87,35 4.294,36 6.121,37 4.118,38 5.253,39 5.522,40 3.887,41 4.246,42 6.17,43 4.085,44 5.241,45 5.513,46 3.819,47 4.202,48 6.185,49 4.033,50 5.175,51 5.457,52 3.717,53 4.139,54 6.015,55 3.967,56 0.088,57 0.861,58 16.862,59 7.3,60 21.249,61 9.677,62 0.285,63 1.407,64 30.315,65 12.073,66 57.232,67 16.654,68 0.481,69 1.785,70 43.587,71 15.376,72 85.444,73 22.033,74 0.631,75 1.85,76 46.65,77 16.055,78 108.077,79 23.395,80 0.575,81 1.808,82 46.663,83 15.691,84 95.653,85 23.062,86 0.634,87 1.713,88 44.626,89 14.783,90 109.192,91 21.605,92 0.797,93 1.653,94 44.288,95 14.269,96 122.896,97 20.941,98 0.579,99 1.549,100 41.057,101 13.387,102 92.721,103 19.675,104 47,105 40,106 0.211,107 0.477,108 0.692,109 0.853,110 0.896,111 0.906,112 3.439,113 1.093,114 -3.71,115 -3.68,116 -3.5,118 35.3,120 11,121 2,123 1,125 3,133 4,134 1,135 1,145 1,150 1,153 1,154 15,155 1,158 3,160 1,162 7,164 18,165 1,167 3,170 7,171 16,172 1,175 3,178 1,179 7,180 13,181 1,184 2,189 7,192 12,193 1,196 1,199 1,200 7,202 12,203 1,206 2,208 1,209 1,210 7,211 12,212 1,215 2,219 6,222 11,223 1,226 2,230 6,231 1,233 10,234 2,236 1848,237 19.905,238 19.905,239 19.905,240 19.905,241 19.905,242 18.974,243 17.563,244 12.155,245 20.196,246 15.232,247 15.232,248 15.232,249 15.232,250 15.232,251 13.79,252 15.281,253 5.733,254 15.642,255 4.779,256 3.136,257 1.806,258 0.809,259 0.541,260 0.482,261 4.105,265 1,266 1,267 877,268 4.472,270 103.621,271 118.711,277 2.529,278 42.369,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 66,289 433,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.669,296 2.341,297 10.723,298 3.088,299 4.068,300 3.258,301 5.592,302 3.675,303 2.697,304 3.148,305 0.86,306 7.701,307 2.639,308 3.55,309 2.949,310 5.354,311 3.32,312 2.364,313 2.71,315 6.335,316 2.253,317 3.439,318 2.637,319 5.072,320 3.241,321 2.236,322 2.634,324 6.063,325 2.223,326 3.266,327 2.401,328 4.892,329 3.025,330 2.066,331 2.321,333 5.642,334 1.975,335 3.037,336 2.307,337 4.662,338 2.959,339 2.004,340 2.039,342 5.184,343 1.905,344 2.79,345 1.911,346 4.656,347 2.751,348 1.772,349 1.793,351 4.748,352 1.726,353 2.687,354 1.731,355 3.796,356 2.567,357 1.585,358 1.765,360 3.446,361 1.548,362 2.606,363 1.377,364 3.52,365 2.23,366 1.243,367 1.603,369 2.681,370 1.224,371 2.168,372 1.32,373 3.469,374 2.108,375 1.123,376 1.15,378 2.458,379 1.099,380 1.879,381 0.977,382 3.214,383 1.812,384 0.818,385 0.85,387 1.86,388 0.811,389 1.592,390 0.937,391 2.947,392 1.485,393 0.513,394 0.542,395 1.163,396 0.494,397 1.581,398 0.697,399 2.689,400 1.293,401 0.423,402 0.475,403 0.622,404 0.365,405 1.282,406 0.584,407 2.607,408 1.207,409 0.22,410 0.227,411 0.481,412 0.216,413 0.841,414 0.306,415 2.362,416 0.743,417 -0.231,418 -0.235,419 -0.535,420 -0.221,421 14,422 0.467,423 0.685,424 0.023,425 25.25,426 0.842,427 8,428 0.267,429 17.25,430 0.575,431 37.109,432 1.237,433 37,434 0.544,435 17.324,436 0.577,437 4.199,438 0.14,439 10.202,440 0.34,441 0.155,443 0.286,447 0.92,448 1.283,449 1.032,450 1.269,451 0.9,452 1.184,453 0.745,454 1.314,455 1.057,456 1.314,457 0.616,458 1.253,459 0.947,460 1.101,461 1.048,462 1.104,463 0.958,464 1.096,465 0.832,466 1.057,467 1.013,468 1.066,469 0.842,470 1.072,471 0.87,472 0.953,473 0.938,474 0.956,475 0.854,476 0.959,477 0.919,478 1.017,479 0.977,480 1.018,481 0.936,482 1.01,483 0.959,484 0.953,485 1.003,486 0.96,487 0.998,488 0.986,489 1.01,490 0.892,491 0.971,492 0.896,493 0.993,494 0.922,495 6,496 0.234,497 2.889,498 2.139,499 1.192,500 0.844,501 0.576,502 0.34,503 0.262,504 0.274,505 12524,506 32838,507 1.94,508 55.9,509 14,510 10,513 4,514 2,515 6,516 2,517 1.725,518 1.8,519 3.763,520 1.564,525 88.977,526 1.308,527 2.951,528 4.281,529 5.278,530 5.547,531 5.606,532 3.261,533 4.774,534 4.872,535 3.997,536 1738.62,537 8.486,538 26553.5,542 413.947,543 1.457,544 4.825,545 0.194,546 0.007,547 0.072,548 0.055,549 0.034,550 0.025,551 0.017,552 0.011,553 0.009,554 0.009,555 0.433,556 0.17,557 0.88,558 1.87,559 159.489,560 -0.09,561 0.075,562 -0.011,563 0.073,564 -0.092,565 0.049,566 0.029,567 -0.104,568 -0.075,569 -0.109,570 0.081,571 -0.111,572 -0.078,573 -0.059,574 -0.077,575 -0.06,576 -0.081,577 -0.067,578 -0.008,579 -0.06,580 -0.06,581 -0.064,582 -0.008,583 -0.071,584 -0.046,585 0.006,586 0.01,587 0.01,588 -0.042,589 0.019,590 -0.005,591 -0.043,592 -0.009,593 -0.041,594 -0.007,595 -0.027,596 0.021,597 -0.002,598 -0.026,599 -0.007,600 -0.002,601 -0.023,602 -0.084,603 0.05,604 -0.006,605 0.051,606 -0.079,607 0.039,608 2.422,609 4.43,610 0.367,611 39.547,612 0.996,613 1.134,614 2.481,615 6.154,616 0.606,617 3.466,618 3.714,619 3.871,620 4.043,621 4.127,622 4.06,623 4.06,624 4.043,625 4.094,626 4.127,627 8.428,628 0.563,629 422.62,630 3.466,631 4.963,632 5.759,633 6.594,634 7.414,635 8.258,636 9.09,637 9.939,638 10.781,639 11.635,651 4,656 2,658 6,668 1,670 68,671 7,672 1,673 31,675 69,676 24,677 6,678 2,679 4,681 2,682 2,688 3,689 2,691 14,693 7,694 17,695 2,696 1,698 1,701 1,707 38,708 6,709 4,710 6,717 1,718 6,719 3,730 1,731 1,739 1,746 4,748 2,752 1,756 30,759 4,760 11,762 1,764 5,773 8.8,774 3,775 1,776 1,778 1,779 16.667,780 11.383,781 6.917,782 4.389,785 1.001,786 1.144,787 0.828,788 10.973,789 7.941,790 3.584,791 3.961,792 4.252,793 4.596,794 4.908,795 4.779,796 4.774,797 4.687,798 4.828,799 4.842,800 0.9,801 39,802 11.265,803 4.743,804 7.922,805 21.716,806 18.077,807 2.422,808 72.667,812 400.217,813 86.007,816 206.878,819 86.007,820 607.096,822 10.883,823 27.88,824 165.955,825 68.738,826 19.429,828 400.217,830 400.217,831 86.007,832 206.878,835 306.049,836 172.997,837 128.05,839 27.88,840 58.127,843 400.217,844 206.878,845 86.007,848 400.217,849 37.219,850 48.788,852 206.878,853 400.217,854 206.878,855 86.007,857 0.562,858 0.309,859 0.157,860 0.083,861 14,862 8,863 0.203,864 14,866 1,867 4.246,868 230.519,870 11,871 147.207,874 24.966,875 13.186,876 8.773,878 206.878,879 7.858,884 1.946,886 170.733,887 693.102,888 35,890 10.559,893 -0.755,895 67.752,896 77.145,897 0.215,898 0.485,899 0.703,900 0.867,901 0.911,902 0.921,903 4.808,904 1.585,905 5.714,906 4.748,907 4.394,908 4.644,909 2.402,910 6.438,911 4.344,912 5.917,913 1.243,914 7.223,915 3.446,916 3.892,917 4.248,918 2.243,919 7.222,920 3.783,921 7.156,922 1.123,923 8.834,924 2.681,925 5.9,926 6.479,927 3.657,928 10.283,929 5.81,930 8.421,931 0.818,932 10.508,933 2.458,934 6.217,935 6.851,936 4.112,937 11.982,938 6.072,939 9.719,940 0.513,941 12.225,942 1.86,943 7.693,944 8.629,945 5.206,946 14.577,947 7.564,948 11.038,949 0.423,950 13.975,951 1.163,952 8.42,953 9.362,954 5.889,955 16.681,956 8.248,957 12.375,958 0.22,959 15.751,960 0.622,961 9.679,962 10.955,963 6.849,964 19.124,965 9.512,966 3.148,967 -0.231,968 17.548,969 0.481,970 10.616,971 11.885,972 7.625,973 21.392,974 10.416,975 2.697,976 10.723,977 19.363,978 -0.535,979 11.788,980 13.381,981 8.526,982 23.786,983 11.585,984 2.364,985 7.701,986 21.194,987 3.669,988 12.829,989 14.43,990 9.342,991 26.118,992 12.599,993 2.236,994 6.335,995 23.037,996 3.148,997 13.971,998 15.865,999 10.216,1000 28.496,1001 13.731,1002 2.066,1003 6.063,1004 24.89,1005 2.71,1006 15.062,1007 16.992,1008 11.051,1009 30.853,1010 14.8,1011 2.004,1012 5.642,1013 26.752,1014 2.634,1015 16.196,1016 18.386,1017 11.912,1018 33.226,1019 15.92,1020 1.772,1021 5.184,1022 28.621,1023 2.321,1024 17.311,1025 19.567,1026 12.755,1027 35.592,1028 17.015,1029 12696,1030 20612,1031 19.879,1032 41.194,1033 44.571,1034 45.337,1035 46.045,1036 44.509,1037 44.424,1038 49.851,1039 6.402,1040 118.211,1041 43.13,1042 5.127,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.669,1048 3.925,1049 17.488,1050 5.088,1051 18.404,1052 1.438,1053 1.462,1054 1.485,1055 1.436,1056 1.433,1057 1.608,1058 0.207,1059 3.813,1060 1.391,1061 3.992,1062 4.03,1063 3.895,1064 3.897,1065 7.474,1066 3.891,1067 3.917,1068 3.945,1069 3.834,1070 3.834,1071 6.465,1072 3.829,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 6.448,1078 3.599,1079 3.646,1080 3.691,1081 3.512,1082 3.499,1083 6.433,1084 3.493,1085 3.502,1086 3.547,1087 3.366,1088 3.319,1089 6.351,1090 3.318,1091 3.315,1092 3.378,1093 3.145,1094 3.139,1095 4.863,1096 3.126,1097 3.208,1098 3.282,1099 3.029,1100 2.963,1101 4.383,1102 2.969,1103 3.192,1104 3.243,1105 3.005,1106 2.954,1107 4.207,1108 2.957,1109 0.134,1110 0.116,1111 0.216,1112 0.133,1113 0.102,1114 4.148,1115 0.118,1116 3.596,1117 0.076,1118 6.682,1119 0.346,1120 4.13,1121 0.1,1122 3.148,1123 3.669,1124 2.341,1125 10.723,1126 3.088,1127 1.924,1128 1.898,1129 2.07,1130 2.026,1131 1.47,1132 2.04,1133 1.834,1134 1.786,1135 2.041,1136 1.974,1137 1.359,1138 1.999,1139 1.735,1140 1.684,1141 1.954,1142 1.898,1143 1.262,1144 1.918,1145 1.616,1146 1.569,1147 1.847,1148 1.806,1149 1.178,1150 1.817,1151 1.535,1152 1.488,1153 1.767,1154 1.737,1155 1.046,1156 1.746,1157 1.4,1158 1.349,1159 1.668,1160 1.625,1161 0.956,1162 1.635,1163 1.231,1164 1.17,1165 1.572,1166 1.518,1167 0.782,1168 1.535,1169 1.163,1170 1.086,1171 1.498,1172 1.413,1173 0.585,1174 1.443,1175 4.143,1177 5.407,1178 2.398,1179 6.838,1180 4.844,1181 8.352,1182 6.986,1183 9.916,1185 1.641,1189 39.864,1190 7.672,1192 5.234,1194 -1.353,1199 38.298,1200 88.977,1201 200.702,1202 291.114,1203 358.928,1204 377.193,1205 381.193,1206 119.647,1207 6.94,1208 107.22,1209 107.22,1210 11,1211 12.193,1212 3,1213 2.322,1214 69.518,1215 147,1216 159,1217 0.22,1218 238.468,1219 430.32,1220 573.621,1221 10271,1223 21.933,1224 0.731,1225 0.603,1226 21.933,1227 18.08,1228 14.401,1229 0.465,1230 0.364,1231 11.169,1232 13.889,1233 10.944,1234 9.056,1235 14.401,1236 11.293,1237 12.47,1238 0.312,1239 0.217,1240 12.47,1241 8.666,1242 9.354,1243 0.199,1244 0.137,1245 9.354,1246 6.433,1247 7.24,1248 0.129,1249 0.084,1250 7.24,1251 4.681,1252 5.344,1253 0.088,1254 0.052,1255 5.344,1256 3.192,1257 0.359,1258 90.409,1259 0.224,1260 29.336,1261 0.564,1262 142,1263 402.07,1264 155.618,1265 373.837,1266 476.56,1267 346,1268 158,1269 310.03,1270 168.963,1271 311.356,1272 444.12,1273 292,1274 5.79}
{0 CHEMBL36041,1 1.437,2 13.724,3 3.768,4 14.198,5 110.672,6 6.919,7 0.2,8 4.188,9 4.297,10 3.642,11 3.667,12 5.236,13 3.624,14 4.774,15 4.94,16 3.992,17 4.088,18 5.824,19 3.999,20 5.164,21 5.4,22 4.017,23 4.234,24 6.109,25 4.099,26 5.194,27 5.453,28 3.945,29 4.2,30 6.129,31 4.044,32 5.17,33 5.44,34 3.847,35 4.169,36 6.035,37 4.011,38 5.151,39 5.408,40 3.899,41 4.149,42 6.123,43 4.005,44 5.144,45 5.399,46 3.894,47 4.093,48 6.19,49 3.948,50 5.05,51 5.32,52 3.705,53 4.013,54 5.96,55 3.853,56 0.104,57 0.774,58 14.739,59 6.633,60 24.838,61 8.481,62 0.286,63 1.264,64 27.814,65 11.204,66 64.592,67 14.909,68 0.724,69 1.585,70 45.086,71 14.538,72 113.504,73 20.093,74 0.835,75 1.593,76 46.611,77 14.542,78 125.906,79 20.541,80 0.663,81 1.558,82 44.281,83 14.159,84 109.862,85 20.118,86 0.722,87 1.516,88 44.315,89 13.838,90 125.335,91 19.499,92 0.985,93 1.449,94 45.185,95 13.214,96 148.26,97 18.617,98 0.829,99 1.312,100 41.909,101 12.226,102 112.823,103 17.244,104 44,105 39,106 0.237,107 0.515,108 0.708,109 0.853,110 0.902,111 0.912,112 3.407,113 1.089,114 -3.77,115 -3.73,116 -3.55,118 35.5,120 9,121 2,124 1,125 3,133 4,135 2,145 1,150 1,153 1,154 11,155 1,158 3,160 1,162 6,164 15,165 1,167 3,168 1,170 6,171 11,172 1,175 4,178 1,179 6,180 9,181 1,184 2,189 7,192 8,193 1,196 2,199 1,200 6,202 8,203 1,206 3,208 1,209 1,210 6,211 9,212 1,215 2,217 1,219 4,222 8,223 1,226 2,230 5,231 1,233 8,234 2,236 1707,237 19.035,238 19.035,239 19.035,240 19.035,241 19.035,242 18.052,243 15.211,244 11.652,245 19.405,246 14.804,247 14.804,248 14.804,249 14.804,250 14.804,251 13.367,252 13.181,253 5.587,254 15.498,255 4.517,256 2.832,257 1.662,258 0.778,259 0.484,260 0.419,261 4.071,262 1,265 1,266 1,267 807,268 4.359,270 99.812,271 114.521,277 2.542,278 45.926,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.333,289 398,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.648,296 2.341,297 10.723,298 3.088,299 4.043,300 3.258,301 5.512,302 3.592,303 2.666,304 3.148,305 0.86,306 7.462,307 2.448,308 3.55,309 3.062,310 5.353,311 3.291,312 2.35,313 2.71,315 6.306,316 2.224,317 3.41,318 2.752,319 5.024,320 3.241,321 2.236,322 2.58,324 5.961,325 2.204,326 3.233,327 2.449,328 4.726,329 2.999,330 2.046,331 2.313,333 5.24,334 1.946,335 3.036,336 2.308,337 4.661,338 2.826,339 1.942,340 2.038,342 5.184,343 1.731,344 2.79,345 1.912,346 4.655,347 2.746,348 1.771,349 1.79,351 4.746,352 1.632,353 2.671,354 1.732,355 3.796,356 2.565,357 1.585,358 1.746,360 3.446,361 1.543,362 2.606,363 1.415,364 3.506,365 2.182,366 1.213,367 1.603,369 2.637,370 1.149,371 2.168,372 1.314,373 3.466,374 2.106,375 1.122,376 1.15,378 2.457,379 1.097,380 1.878,381 1.076,382 3.211,383 1.785,384 0.817,385 0.849,387 1.859,388 0.785,389 1.589,390 0.918,391 2.937,392 1.427,393 0.506,394 0.535,395 1.157,396 0.458,397 1.282,398 0.61,399 2.615,400 1.184,401 0.221,402 0.227,403 0.483,404 0.212,405 0.936,406 0.308,407 2.363,408 0.738,409 -0.23,410 -0.235,411 -0.534,412 -0.219,413 0.824,414 0.209,415 2.263,416 0.439,417 -0.399,418 -0.5,419 -0.882,420 -0.256,421 13.714,422 0.473,423 0.723,424 0.025,425 25,426 0.862,427 8,428 0.276,429 17,430 0.586,431 34.959,432 1.205,433 35.486,434 0.572,435 17.093,436 0.589,437 4.197,438 0.145,439 9.666,440 0.333,441 0.174,443 0.292,447 0.89,448 1.258,449 0.81,450 1.146,451 0.888,452 1.097,453 0.726,454 1.384,455 0.859,456 1.274,457 0.611,458 1.237,459 0.975,460 1.067,461 0.955,462 1.032,463 0.948,464 1.052,465 0.858,466 0.995,467 0.84,468 0.969,469 0.806,470 0.995,471 0.89,472 0.95,473 0.793,474 0.905,475 0.891,476 0.936,477 0.921,478 1.017,479 0.868,480 0.985,481 0.954,482 0.986,483 1.005,484 0.957,485 0.877,486 0.934,487 1.008,488 0.971,489 1.057,490 0.793,491 0.965,492 0.815,493 0.97,494 0.872,495 6,496 0.234,497 2.889,498 2.139,499 1.152,500 0.781,501 0.576,502 0.309,503 0.262,504 0.274,505 11421,506 35125,507 1.938,508 53.2,509 12,510 9,513 4,514 2,515 4,516 2,517 1.717,518 1.794,519 3.696,520 1.629,522 1,525 89.078,526 1.437,527 3.122,528 4.293,529 5.176,530 5.47,531 5.535,532 3.224,533 4.651,534 4.822,535 3.947,536 1602.33,537 8.388,538 23822.6,540 1,542 369.16,543 1.475,544 4.773,545 0.2,546 0.008,547 0.074,548 0.058,549 0.035,550 0.024,551 0.017,552 0.01,553 0.01,554 0.009,555 0.445,556 0.17,557 0.88,558 1.81,559 152.337,560 -0.101,561 0.084,562 -0.016,563 0.081,564 -0.101,565 0.055,566 0.027,567 -0.174,568 -0.045,569 -0.142,570 0.084,571 -0.143,572 -0.052,573 -0.056,574 -0.051,575 -0.044,576 -0.066,577 -0.059,578 0.014,579 -0.024,580 0.014,581 -0.021,582 0.013,583 -0.022,584 -0.06,585 0.013,586 0.017,587 0.028,588 -0.054,589 0.032,590 -0.017,591 -0.048,592 -0.004,593 -0.039,594 -0.022,595 -0.017,596 0.028,597 -0.017,598 0.009,599 -0.014,600 0.004,601 -0.026,602 -0.073,603 0.127,604 -0.022,605 0.108,606 -0.082,607 0.076,608 2.433,609 4.33,610 0.379,611 37.493,612 1.005,613 1.133,614 2.538,615 6.439,616 0.621,617 3.434,618 3.689,619 3.829,620 4.007,621 4.078,622 4.007,623 3.989,624 3.989,625 4.06,626 4.078,627 8.19,628 0.582,629 429,630 3.434,631 4.934,632 5.727,633 6.564,634 7.38,635 8.224,636 9.054,637 9.904,638 10.743,639 11.598,651 4,656 2,658 6,668 1,669 1,670 62,671 7,672 1,673 30,675 63,676 22,677 6,678 2,679 4,681 2,682 2,683 1,688 3,689 2,691 12,693 7,694 15,695 2,696 1,698 1,701 1,704 1,707 33,708 6,709 4,710 7,711 1,717 1,718 6,719 3,730 1,731 1,739 1,746 4,748 2,753 1,756 29,759 4,760 10,762 1,764 5,772 1,773 9.7,774 3,775 1,776 1,778 1,779 16.167,780 10.026,781 6.583,782 3.966,785 0.965,786 1.141,787 0.826,788 10.565,789 7.817,790 3.555,791 3.942,792 4.208,793 4.55,794 4.839,795 4.669,796 4.563,797 4.595,798 4.768,799 4.739,800 1,801 37,802 10.879,803 4.633,804 8.027,805 20.686,806 17.218,807 2.527,808 73.278,811 1,812 341.362,813 74.962,815 39.149,816 206.878,819 74.962,820 587.389,823 27.403,824 165.955,825 68.738,826 19.744,828 341.362,829 39.149,830 341.362,831 74.962,832 206.878,833 39.149,835 270.735,836 149.455,837 128.05,839 27.403,840 47.559,841 39.149,843 341.362,844 206.878,845 114.111,848 341.362,849 37.057,850 37.905,852 246.027,853 341.362,854 206.878,855 114.111,857 0.567,858 0.303,859 0.155,860 0.081,861 14,862 8,863 0.206,864 13,866 1,867 4.163,868 220.055,870 11,871 140.881,874 24.258,875 12.63,876 8.708,878 206.878,879 7.01,884 1.18,886 170.733,887 662.351,888 34,890 10.536,893 -0.766,895 62.309,896 70.259,897 0.241,898 0.524,899 0.721,900 0.869,901 0.919,902 0.93,903 4.783,904 1.585,905 5.687,906 4.746,907 4.369,908 4.625,909 2.402,910 6.409,911 4.279,912 5.898,913 1.213,914 7.195,915 3.446,916 3.892,917 4.248,918 2.243,919 7.182,920 3.698,921 7.138,922 1.122,923 8.805,924 2.637,925 5.872,926 6.457,927 3.657,928 10.249,929 5.714,930 8.402,931 0.817,932 10.477,933 2.457,934 6.196,935 6.827,936 4.112,937 11.946,938 5.958,939 9.698,940 0.506,941 12.193,942 1.859,943 7.664,944 8.601,945 5.206,946 14.549,947 7.452,948 11.015,949 0.221,950 13.942,951 1.157,952 8.395,953 9.324,954 5.889,955 16.657,956 8.132,957 12.349,958 -0.23,959 15.718,960 0.483,961 9.652,962 10.919,963 6.849,964 19.105,965 9.4,966 3.148,967 -0.399,968 17.517,969 -0.534,970 10.591,971 11.835,972 7.625,973 21.378,974 10.309,975 2.666,976 10.723,977 19.334,978 -0.882,979 11.764,980 13.334,981 8.526,982 23.775,983 11.483,984 2.35,985 7.462,986 21.167,987 3.648,988 12.807,989 14.369,990 9.342,991 26.11,992 12.506,993 2.236,994 6.306,995 23.012,996 3.148,997 13.95,998 15.807,999 10.216,1000 28.49,1001 13.644,1002 2.046,1003 5.961,1004 24.868,1005 2.71,1006 15.043,1007 16.92,1008 11.051,1009 30.848,1010 14.722,1011 1.942,1012 5.24,1013 26.733,1014 2.58,1015 16.178,1016 18.315,1017 11.912,1018 33.222,1019 15.849,1020 1.771,1021 5.184,1022 28.604,1023 2.313,1024 17.295,1025 19.483,1026 12.755,1027 35.589,1028 16.952,1029 11560,1030 20381,1031 19.186,1032 38.529,1033 43.341,1034 44.31,1035 44.686,1036 43.538,1037 43.243,1038 48.678,1039 6.402,1040 115.322,1041 41.031,1042 5.127,1043 5.596,1044 6.506,1045 5.179,1046 5.148,1047 6.648,1048 3.925,1049 17.488,1050 5.088,1051 17.922,1052 1.445,1053 1.477,1054 1.49,1055 1.451,1056 1.441,1057 1.623,1058 0.213,1059 3.844,1060 1.368,1061 3.981,1062 4.02,1063 3.996,1064 3.876,1065 7.474,1066 3.87,1067 3.891,1068 3.909,1069 3.857,1070 3.82,1071 6.465,1072 3.813,1073 3.747,1074 3.8,1075 3.61,1076 3.611,1077 6.448,1078 3.598,1079 3.628,1080 3.672,1081 3.524,1082 3.464,1083 6.433,1084 3.462,1085 3.5,1086 3.544,1087 3.368,1088 3.314,1089 6.351,1090 3.314,1091 3.208,1092 3.263,1093 3.304,1094 2.994,1095 4.978,1096 2.994,1097 3.191,1098 3.242,1099 3.032,1100 2.962,1101 4.547,1102 2.968,1103 2.961,1104 2.997,1105 3.001,1106 2.801,1107 4.206,1108 2.776,1109 0.138,1110 0.12,1111 0.223,1112 0.138,1113 0.105,1114 4.148,1115 0.122,1116 3.596,1117 0.078,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.648,1124 2.341,1125 10.723,1126 3.088,1127 1.871,1128 1.852,1129 2.055,1130 1.991,1131 1.466,1132 2.011,1133 1.833,1134 1.786,1135 1.979,1136 1.959,1137 1.338,1138 1.972,1139 1.732,1140 1.68,1141 1.943,1142 1.893,1143 1.199,1144 1.914,1145 1.61,1146 1.563,1147 1.843,1148 1.804,1149 1.086,1150 1.815,1151 1.501,1152 1.456,1153 1.741,1154 1.719,1155 1.029,1156 1.725,1157 1.377,1158 1.33,1159 1.633,1160 1.61,1161 0.946,1162 1.613,1163 1.102,1164 1.041,1165 1.424,1166 1.378,1167 0.68,1168 1.39,1169 0.967,1170 0.913,1171 1.289,1172 1.273,1173 0.526,1174 1.274,1175 4.111,1177 5.38,1178 2.398,1179 6.81,1180 4.844,1181 8.322,1182 6.986,1183 9.883,1186 5.917,1189 39.552,1190 6.027,1192 5.57,1194 -1.747,1199 36.072,1200 89.078,1201 193.554,1202 266.141,1203 320.896,1204 339.16,1205 343.16,1206 115.66,1207 6.852,1208 107.22,1209 107.22,1210 11,1211 12.157,1212 3,1213 2.322,1214 65.794,1215 137,1216 150,1217 0.222,1218 227.616,1219 410.93,1220 547.143,1221 9104,1222 1.6,1223 21.225,1224 0.732,1225 0.604,1226 21.725,1227 17.506,1228 13.863,1229 0.462,1230 0.363,1231 10.423,1232 13.071,1233 10.236,1234 8.412,1235 14.152,1236 10.886,1237 12.301,1238 0.315,1239 0.217,1240 12.709,1241 8.481,1242 8.93,1243 0.198,1244 0.133,1245 9.192,1246 6.006,1247 7.027,1248 0.13,1249 0.081,1250 7.296,1251 4.388,1252 5.067,1253 0.087,1254 0.05,1255 5.244,1256 2.913,1257 0.362,1258 90.149,1259 0.228,1260 28.517,1261 0.572,1262 138,1263 424.273,1264 167.802,1265 423.068,1266 530.52,1267 390,1268 153,1269 325.802,1270 174.829,1271 333.178,1272 478.93,1273 314,1274 8.316}
{0 CHEMBL360862,1 1.47,2 14.552,3 3.598,4 12.942,5 112.585,6 7.327,7 0.2,8 4.129,9 4.228,10 3.641,11 3.619,12 5.227,13 3.59,14 4.684,15 4.832,16 3.968,17 3.992,18 5.816,19 3.927,20 5.003,21 5.22,22 3.958,23 4.101,24 6.049,25 3.987,26 4.972,27 5.214,28 3.853,29 4.035,30 5.928,31 3.905,32 4.904,33 5.147,34 3.788,35 3.986,36 5.891,37 3.861,38 4.897,39 5.122,40 3.808,41 3.975,42 5.911,43 3.863,44 4.912,45 5.144,46 3.827,47 3.942,48 6.013,49 3.825,50 4.869,51 5.122,52 3.651,53 3.864,54 5.836,55 3.733,56 0.109,57 0.715,58 12.831,59 6.064,60 23.168,61 7.462,62 0.359,63 1.134,64 24.484,65 9.917,66 63.931,67 12.626,68 0.821,69 1.385,70 38.751,71 12.645,72 105.223,73 16.786,74 0.672,75 1.343,76 37.788,77 12.209,78 87.116,79 16.589,80 0.599,81 1.275,82 34.003,83 11.505,84 83.607,85 15.741,86 0.652,87 1.246,88 34.567,89 11.273,90 87.657,91 15.096,92 0.731,93 1.236,94 35.81,95 11.221,96 111.769,97 15.131,98 0.746,99 1.152,100 35.068,101 10.591,102 93.621,103 14.438,104 34,105 38,106 0.244,107 0.593,108 0.808,109 0.91,110 0.933,111 0.933,112 3.406,113 1.024,114 -3.6,115 -3.57,116 -3.4,118 37.9,120 5,121 1,124 2,125 3,129 4,133 4,135 2,145 1,150 1,153 1,154 10,155 1,158 5,160 1,162 3,164 12,165 1,167 5,168 2,170 3,171 9,172 1,175 5,179 3,180 7,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 4,202 7,203 1,206 3,209 1,210 5,211 6,212 1,215 5,217 1,219 3,222 6,223 1,226 4,230 3,233 5,236 1732,237 19.242,238 19.242,239 19.242,240 19.242,241 19.242,242 17.845,243 21.743,244 11.941,245 19.693,246 14.82,247 14.82,248 14.82,249 14.82,250 14.82,251 12.741,252 21.435,253 5.745,254 15.642,255 4.388,256 2.286,257 0.992,258 0.379,259 0.241,260 0.241,261 4.074,262 1,265 1,266 1,267 857,268 4.416,270 100.938,271 115.297,277 2.709,278 40.576,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.333,289 422,290 4.059,291 3.596,292 6.471,293 3.986,294 3.027,295 3.648,296 2.341,297 10.007,298 2.9,299 4.041,300 3.358,301 5.512,302 3.592,303 2.666,304 3.101,305 1.151,306 7.462,307 2.448,308 3.551,309 3.075,310 5.081,311 3.29,312 2.349,313 2.711,314 0.86,315 6.148,316 2.224,317 3.507,318 2.859,319 4.89,320 3.241,321 2.236,322 2.621,323 0.765,324 5.363,325 2.202,326 3.285,327 2.538,328 4.716,329 2.85,330 1.964,331 2.49,333 5.184,334 1.805,335 3.174,336 2.323,337 4.659,338 2.809,339 1.826,340 2.233,342 5.155,343 1.711,344 2.881,345 2.167,346 4.14,347 2.737,348 1.803,349 1.883,351 3.879,352 1.613,353 2.669,354 1.803,355 3.761,356 2.435,357 1.462,358 1.743,360 3.309,361 1.415,362 2.537,363 1.48,364 3.489,365 2.179,366 1.209,367 1.517,369 2.627,370 1.147,371 2.254,372 1.419,373 3.312,374 2.037,375 1.075,376 1.181,378 2.337,379 1.024,380 2.152,381 1.213,382 3.279,383 1.72,384 0.801,385 0.982,387 1.858,388 0.727,389 1.645,390 1.076,391 2.896,392 1.528,393 0.564,394 0.587,395 1.211,396 0.536,397 1.577,398 0.804,399 2.745,400 1.268,401 0.366,402 0.422,403 0.812,404 0.328,405 1.145,406 0.58,407 2.296,408 0.919,409 -0.049,410 -0.055,411 -0.107,412 -0.047,413 0.93,414 0.274,415 2.142,416 0.518,417 -0.394,418 -0.453,419 -0.873,420 -0.254,421 13.714,422 0.473,423 0.634,424 0.022,425 27.25,426 0.94,427 10,428 0.345,429 17.25,430 0.595,431 29.964,432 1.033,433 34.286,434 0.591,435 20.602,436 0.71,437 5.388,438 0.186,439 8.564,440 0.295,441 0.149,443 0.255,447 0.875,448 1.235,449 0.754,450 1.119,451 0.875,452 1.043,453 0.898,454 1.319,455 0.871,456 1.209,457 0.656,458 1.178,459 1.011,460 1.02,461 0.995,462 0.999,463 0.958,464 1.039,465 0.907,466 0.982,467 0.859,468 0.964,469 0.803,470 0.982,471 0.806,472 0.985,473 0.787,474 0.942,475 0.805,476 0.954,477 1.002,478 1.025,479 0.946,480 1.006,481 1.018,482 1.018,483 0.962,484 1.041,485 0.89,486 1.017,487 0.926,488 1.019,489 1.05,490 0.818,491 0.914,492 0.819,493 0.913,494 0.867,495 5.5,496 0.207,497 2.667,498 1.542,499 1.072,500 0.615,501 0.494,502 0.309,503 0.187,504 0.178,505 12065,506 38979,507 1.957,508 50,509 8,510 15,513 3,514 2,516 1,517 1.714,518 1.832,519 3.786,520 0.891,522 1,525 85.264,526 1.47,527 3.572,528 4.866,529 5.479,530 5.617,531 5.617,532 3.25,533 4.72,534 4.822,535 4.035,536 1638.26,537 8.376,538 24985.9,540 1,541 1,542 339.763,543 1.384,544 4.785,545 0.183,546 0.007,547 0.07,548 0.044,549 0.035,550 0.02,551 0.016,552 0.011,553 0.007,554 0.007,555 0.4,556 0.33,557 0.88,558 1.945,559 153.765,560 -0.088,561 0.021,562 -0.006,563 0.029,564 -0.113,565 0.031,566 -0.016,567 -0.179,568 -0.06,569 -0.142,570 0.07,571 -0.151,572 -0.023,573 -0.026,574 -0.066,575 -0.022,576 -0.051,577 -0.06,578 -0.036,579 -0.008,580 0.019,581 -0.006,582 -0.037,583 0.001,584 0.015,585 0.001,586 0.04,587 0.015,588 0.004,589 0.034,590 -0.049,591 -0.037,592 -0.052,593 -0.041,594 -0.08,595 -0.04,596 0.013,597 -0.074,598 0.012,599 -0.067,600 0.051,601 -0.05,602 -0.059,603 0.112,604 0.009,605 0.107,606 -0.051,607 0.091,608 2.435,609 4.147,610 0.379,611 39.677,612 1.009,613 1.128,614 2.369,615 5.613,616 0.638,617 3.434,618 3.664,619 3.784,620 3.932,621 3.989,622 3.932,623 3.932,624 3.932,625 3.951,626 3.989,627 8.655,628 0.604,629 424.96,630 3.434,631 4.92,632 5.7,633 6.521,634 7.322,635 8.149,636 8.962,637 9.794,638 10.615,639 11.45,651 4,656 2,658 6,668 1,669 1,670 58,671 9,672 1,673 30,675 59,676 22,677 6,678 2,679 4,681 2,682 2,683 1,688 2,689 1,691 8,693 11,694 11,695 1,696 3,698 1,699 4,701 1,704 1,707 29,708 6,709 3,710 7,711 1,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,753 1,756 29,759 3,760 7,762 2,764 4,772 1,773 10.3,774 2,775 1,776 1,777 1,778 1,779 15.833,780 9.493,781 6.639,782 3.455,785 1.907,786 1.279,787 0.849,788 10.569,789 8.75,790 3.611,791 3.998,792 4.294,793 4.641,794 4.965,795 4.909,796 4.93,797 5.066,798 5.246,799 5.415,800 0.9,801 35,802 10.79,803 4.489,804 8.015,805 20.325,806 16.272,807 2.515,808 72.944,811 1,812 306.049,813 107.321,815 39.149,816 175.195,819 107.321,820 520.392,823 21.857,824 161.177,825 79.738,826 19.744,828 306.049,829 39.149,830 306.049,831 107.321,832 175.195,833 39.149,835 294.278,836 90.599,837 96.367,839 21.857,840 47.559,841 77.054,843 306.049,844 175.195,845 146.47,848 306.049,849 31.511,850 75.81,852 214.343,853 306.049,854 175.195,855 146.47,857 0.56,858 0.296,859 0.148,860 0.076,861 13,862 7,863 0.203,864 12,866 1,867 4.26,868 214.635,870 11,871 140.881,874 23.744,875 12.908,876 9.215,878 175.195,879 6.97,884 1.155,886 128.05,887 627.713,888 36,890 10.473,891 7.41,893 -0.769,895 58.542,896 65.428,897 0.251,898 0.61,899 0.831,900 0.935,901 0.959,902 0.959,903 4.816,904 1.462,905 5.638,906 3.879,907 4.344,908 4.682,909 2.699,910 6.319,911 4.235,912 5.936,913 1.209,914 7.119,915 3.309,916 3.761,917 4.159,918 2.243,919 7.002,920 3.537,921 7.166,922 1.075,923 8.699,924 2.627,925 5.808,926 6.533,927 3.76,928 10.042,929 5.605,930 8.422,931 0.801,932 10.341,933 2.337,934 6.043,935 6.771,936 4.112,937 11.651,938 5.726,939 9.708,940 0.564,941 12.027,942 1.858,943 7.544,944 8.659,945 5.233,946 14.201,947 7.246,948 11.012,949 0.366,950 13.747,951 1.211,952 8.192,953 9.286,954 5.889,955 16.216,956 7.796,957 12.333,958 -0.049,959 15.493,960 0.812,961 9.455,962 10.949,963 6.856,964 18.601,965 9.062,966 3.027,967 -0.394,968 17.26,969 -0.107,970 10.322,971 11.805,972 7.625,973 20.787,974 9.848,975 2.666,976 10.007,977 19.046,978 -0.873,979 11.479,980 13.342,981 8.527,982 23.115,983 10.995,984 2.349,985 7.462,986 20.846,987 3.648,988 12.459,989 14.343,990 9.342,991 25.37,992 11.909,993 2.236,994 6.148,995 22.659,996 3.101,997 13.573,998 15.801,999 10.216,1000 27.68,1001 13.001,1002 1.964,1003 5.363,1004 24.481,1005 2.711,1006 14.61,1007 16.898,1008 11.051,1009 29.962,1010 13.984,1011 1.826,1012 5.184,1013 26.312,1014 2.621,1015 15.708,1016 18.303,1017 11.912,1018 32.266,1019 15.053,1020 1.803,1021 5.155,1022 28.149,1023 2.49,1024 16.774,1025 19.464,1026 12.755,1027 34.56,1028 16.072,1029 12164,1030 21973,1031 19.474,1032 37.006,1033 43.462,1034 44.096,1035 44.037,1036 42.903,1037 42.695,1038 50.235,1039 10.233,1040 110.705,1041 40.161,1042 4.974,1043 5.596,1044 6.334,1045 5.048,1046 5.027,1047 6.648,1048 3.925,1049 16.516,1050 4.9,1051 16.662,1052 1.449,1053 1.47,1054 1.468,1055 1.43,1056 1.423,1057 1.674,1058 0.341,1059 3.69,1060 1.339,1061 3.947,1062 3.974,1063 3.996,1064 3.846,1065 7.474,1066 3.844,1067 3.88,1068 3.901,1069 3.827,1070 3.787,1071 6.453,1072 3.785,1073 3.752,1074 3.799,1075 3.625,1076 3.621,1077 6.447,1078 3.613,1079 3.615,1080 3.652,1081 3.526,1082 3.467,1083 6.351,1084 3.467,1085 3.517,1086 3.551,1087 3.413,1088 3.338,1089 4.978,1090 3.345,1091 3.232,1092 3.278,1093 3.307,1094 3.005,1095 4.645,1096 3.014,1097 3.168,1098 3.214,1099 3.078,1100 2.97,1101 4.543,1102 2.974,1103 2.909,1104 2.971,1105 2.994,1106 2.799,1107 4.376,1108 2.772,1109 0.135,1110 0.12,1111 0.216,1112 0.133,1113 0.101,1114 4.059,1115 0.122,1116 3.596,1117 0.078,1118 6.471,1119 0.334,1120 3.986,1121 0.097,1122 3.027,1123 3.648,1124 2.341,1125 10.007,1126 2.9,1127 1.87,1128 1.852,1129 2.026,1130 1.974,1131 1.349,1132 1.986,1133 1.823,1134 1.781,1135 1.965,1136 1.951,1137 1.28,1138 1.967,1139 1.719,1140 1.675,1141 1.919,1142 1.873,1143 1.07,1144 1.889,1145 1.597,1146 1.556,1147 1.805,1148 1.783,1149 1.001,1150 1.79,1151 1.433,1152 1.391,1153 1.67,1154 1.658,1155 0.907,1156 1.657,1157 1.305,1158 1.266,1159 1.56,1160 1.58,1161 0.802,1162 1.57,1163 1.141,1164 1.09,1165 1.426,1166 1.397,1167 0.632,1168 1.401,1169 0.925,1170 0.88,1171 1.22,1172 1.199,1173 0.359,1174 1.203,1175 4.111,1177 5.361,1178 2.398,1179 6.77,1180 4.727,1181 8.257,1182 6.783,1183 9.791,1186 5.901,1189 28.869,1190 3.513,1192 11.138,1194 -1.716,1199 35.018,1200 85.264,1201 207.194,1202 282.253,1203 317.763,1204 325.763,1205 325.763,1206 95.755,1207 6.843,1208 96.22,1209 96.22,1210 11,1211 12.023,1212 3.322,1213 2.807,1214 65.948,1215 146,1216 157,1217 0.208,1218 221.761,1219 405.65,1220 532.857,1221 9438,1222 1.7,1223 21.062,1224 0.726,1225 0.589,1226 21.562,1227 17.078,1228 13.952,1229 0.465,1230 0.341,1231 9.763,1232 13.103,1233 9.58,1234 7.884,1235 14.241,1236 10.244,1237 12.115,1238 0.319,1239 0.198,1240 12.523,1241 7.533,1242 8.791,1243 0.204,1244 0.115,1245 9.053,1246 4.937,1247 6.696,1248 0.134,1249 0.066,1250 6.965,1251 3.287,1252 4.856,1253 0.092,1254 0.038,1255 5.033,1256 2.006,1257 0.344,1258 91.016,1259 0.227,1260 28.792,1261 0.527,1262 136,1263 453.859,1264 167.241,1265 448.566,1266 567.48,1267 416,1268 149,1269 352.075,1270 172.933,1271 359.312,1272 517.76,1273 338,1274 7.237}
{0 CHEMBL360869,1 1.302,2 12.708,3 3.086,4 9.522,5 95.702,6 6.081,8 4.061,9 4.184,10 3.393,11 3.505,12 5.066,13 3.45,14 4.647,15 4.836,16 3.669,17 3.884,18 5.662,19 3.778,20 4.979,21 5.239,22 3.649,23 4.005,24 5.884,25 3.85,26 4.965,27 5.239,28 3.566,29 3.968,30 5.825,31 3.801,32 4.89,33 5.16,34 3.566,35 3.896,36 5.823,37 3.742,38 4.833,39 5.093,40 3.557,41 3.856,42 5.724,43 3.718,44 4.861,45 5.114,46 3.488,47 3.844,48 5.842,49 3.693,50 4.838,51 5.117,52 3.377,53 3.789,54 5.679,55 3.62,56 0.068,57 0.694,58 13.925,59 5.886,60 16.723,61 7.915,62 0.26,63 1.087,64 24.747,65 9.309,66 52.836,67 13.088,68 0.514,69 1.301,70 33.771,71 11.22,72 76.851,73 16.452,74 0.418,75 1.263,76 32.903,77 10.923,78 69.533,79 16.129,80 0.464,81 1.171,82 30.718,83 10.112,84 73.518,85 14.915,86 0.339,87 1.118,88 29.121,89 9.588,90 58.917,91 14.069,92 0.542,93 1.114,94 30.341,95 9.533,96 86.747,97 14.013,98 0.421,99 1.066,100 29.071,101 9.188,102 66.759,103 13.675,104 54,105 29,106 0.221,107 0.51,108 0.764,109 0.894,110 0.918,111 0.918,112 3.226,113 1.134,114 -3.21,115 -3.2,116 -3.07,118 33.9,119 1,120 8,121 1,124 1,125 3,129 4,145 1,150 1,153 1,154 11,155 1,158 3,160 1,162 4,164 10,165 1,167 3,168 1,170 4,171 10,172 1,175 2,179 4,180 8,181 1,184 3,187 1,189 5,192 7,193 1,196 3,200 4,202 7,203 1,206 3,209 1,210 4,211 6,212 1,215 3,219 4,222 6,226 1,227 1,230 2,231 1,233 6,234 1,236 1064,237 15.941,238 15.941,239 15.941,240 15.941,241 15.941,242 15.32,243 15.988,244 10.19,245 16.134,246 11.82,247 11.82,248 11.82,249 11.82,250 11.82,251 10.857,252 16.421,253 4.848,254 12.169,255 4.506,256 2.807,257 1.312,258 0.549,259 0.406,260 0.406,261 3.872,265 1,266 1,267 591,268 4.416,270 83.764,277 2.292,278 32.472,279 1,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 53,289 305,290 4.057,291 3.596,292 6.471,293 3.986,294 3.026,295 3.101,296 2.341,297 10.007,298 2.901,299 3.552,300 3.358,301 5.086,302 3.335,303 2.374,304 2.712,305 1.151,306 6.161,307 2.274,308 3.502,309 2.813,310 4.883,311 3.241,312 2.235,313 2.57,314 0.765,315 5.282,316 2.223,317 3.164,318 2.33,319 4.659,320 2.802,321 1.852,322 2.221,324 5.184,325 1.765,326 2.924,327 2.158,328 4.139,329 2.75,330 1.763,331 1.92,333 3.85,334 1.726,335 2.596,336 1.774,337 3.688,338 2.571,339 1.585,340 1.593,342 3.137,343 1.553,344 2.404,345 1.645,346 3.598,347 2.33,348 1.366,349 1.391,351 3.051,352 1.307,353 2.15,354 1.386,355 3.181,356 1.872,357 0.915,358 1.025,360 1.969,361 0.866,362 2.104,363 1.077,364 3.095,365 1.803,366 0.823,367 0.951,369 1.642,370 0.802,371 1.614,372 0.856,373 2.639,374 1.45,375 0.509,376 0.553,378 0.938,379 0.474,380 1.343,381 0.685,382 2.475,383 1.222,384 0.237,385 0.253,387 0.495,388 0.231,389 0.951,390 0.426,391 2,392 0.712,393 -0.248,394 -0.266,395 -0.504,396 -0.233,397 0.615,398 0.215,399 2,400 0.546,401 -0.418,402 -0.433,403 -0.731,404 -0.398,405 0.486,406 -0.254,407 1.848,408 0.245,409 -0.724,410 -0.772,411 -1.608,412 -0.685,413 0.327,414 -0.285,415 1.512,416 -0.011,417 -1,418 -1,419 -2,420 -0.894,421 11.167,422 0.465,423 0.459,424 0.019,425 17,426 0.708,427 3.5,428 0.146,429 13.5,430 0.563,431 27.648,432 1.152,433 30.233,434 0.54,435 11.665,436 0.486,437 2.923,438 0.122,439 8.618,440 0.359,441 0.164,443 0.224,447 0.906,448 1.37,449 1.06,450 1.355,451 0.893,452 1.25,453 0.789,454 1.404,455 1.099,456 1.4,457 0.607,458 1.32,459 0.921,460 1.035,461 1.012,462 1.039,463 0.904,464 1.043,465 0.923,466 0.982,467 0.973,468 0.985,469 0.843,470 0.988,471 0.851,472 0.981,473 0.92,474 0.981,475 0.824,476 0.966,477 0.976,478 1.044,479 0.956,480 1.035,481 0.847,482 0.996,483 1.154,484 1.027,485 1.121,486 1.032,487 1.035,488 1.066,489 1.057,490 0.931,491 1.001,492 0.933,493 0.966,494 0.954,495 4,496 0.126,497 2.222,498 1.292,499 0.73,500 0.524,501 0.412,502 0.207,503 0.161,504 0.2,505 6385,506 16536,507 1.884,508 57.1,509 15,510 9,513 3,514 2,515 2,516 1,517 1.665,518 1.756,519 3.6,520 0.957,521 1,522 1,525 72.892,526 1.302,527 3,528 4.495,529 5.258,530 5.401,531 5.401,532 3.09,533 4.418,534 4.545,535 3.808,536 1051.08,537 7.832,538 13659.8,540 1,541 1,542 325.212,543 1.397,544 4.506,545 0.167,546 0.007,547 0.077,548 0.048,549 0.029,550 0.021,551 0.016,552 0.009,553 0.008,554 0.01,555 0.392,556 0.33,557 0.88,558 2.754,559 118.842,560 -0.081,561 0.028,562 -0.019,563 0.029,564 -0.1,565 0.018,566 0.047,567 -0.192,568 -0.099,569 -0.194,570 0.096,571 -0.177,572 -0.009,573 -0.025,574 -0.04,575 -0.028,576 -0.039,577 -0.038,578 -0.065,579 0.003,580 -0.018,581 0.005,582 -0.056,583 0.003,584 0.03,585 0.007,586 0.042,587 0.01,588 0.011,589 0.026,590 -0.053,591 -0.037,592 0.02,593 -0.027,594 -0.027,595 0.006,596 -0.062,597 -0.038,598 -0.115,599 -0.049,600 -0.031,601 -0.087,602 -0.095,603 0.017,604 -0.032,605 0.017,606 -0.087,607 0.006,608 2.439,609 4.04,610 0.208,611 29.306,612 0.996,613 1.137,614 1.98,615 3.919,616 0.597,617 3.219,618 3.401,619 3.497,620 3.611,621 3.611,622 3.611,623 3.611,624 3.611,625 3.584,626 3.584,627 7.403,628 0.554,629 340.51,630 3.219,631 4.673,632 5.434,633 6.236,634 7.027,635 7.844,636 8.653,637 9.481,638 10.303,639 11.138,670 56,671 3,673 24,675 56,676 19,681 1,682 1,685 1,688 2,689 1,691 11,693 5,694 14,695 1,696 3,698 1,699 4,701 1,704 1,707 32,708 5,709 3,710 5,717 1,718 5,719 2,723 1,730 1,739 1,741 4,746 3,747 1,748 1,752 1,756 24,759 3,760 9,762 1,764 4,773 8.9,774 2,775 1,776 1,777 1,779 13.667,780 9.35,781 5.722,782 3.739,785 0.866,786 1.14,787 0.817,788 10.851,789 7.052,790 3.332,791 3.584,792 3.738,793 3.932,794 4.094,795 4.263,796 4.344,797 4.419,798 4.466,799 4.554,800 0.889,801 27,802 8.979,803 3.643,804 7.958,805 17.26,806 13.759,807 2.458,808 59,811 1,812 341.362,813 72.509,816 164.195,819 72.509,820 505.557,822 8.825,823 24.869,824 123.272,825 79.738,828 341.362,830 341.362,831 72.509,832 164.195,835 306.049,836 103.142,837 96.367,839 33.694,840 0.91,841 37.905,843 341.362,844 164.195,845 72.509,848 341.362,849 25.779,850 46.73,852 164.195,853 341.362,854 164.195,855 72.509,857 0.544,858 0.283,859 0.138,860 0.07,861 8,862 5,863 0.214,864 12,866 1,867 3.73,868 157.958,870 5,871 110.039,874 21.043,875 12.375,876 9.178,878 164.195,886 128.05,887 578.066,888 27,890 10.435,891 7.606,893 -0.772,895 55.774,896 63.69,897 0.224,898 0.517,899 0.774,900 0.905,901 0.93,902 0.93,903 4.522,904 0.915,905 5.352,906 3.051,907 4.078,908 4.263,909 2.594,910 6.014,911 4.015,912 5.591,913 0.823,914 6.821,915 1.969,916 3.434,917 3.611,918 2.243,919 6.72,920 3.302,921 6.789,922 0.509,923 8.4,924 1.642,925 5.509,926 5.872,927 3.734,928 9.778,929 5.382,930 8.014,931 0.237,932 10.05,933 0.938,934 5.74,935 6.019,936 4.112,937 11.465,938 5.527,939 9.274,940 -0.248,941 11.751,942 0.495,943 7.246,944 7.726,945 5.229,946 14.028,947 7.039,948 10.555,949 -0.418,950 13.491,951 -0.504,952 7.923,953 8.271,954 5.889,955 16.103,956 7.63,957 11.855,958 -0.724,959 15.26,960 -0.731,961 9.187,962 9.717,963 6.855,964 18.501,965 8.887,966 3.026,967 -1,968 17.052,969 -1.608,970 10.089,971 10.485,972 7.625,973 20.72,974 9.714,975 2.374,976 10.007,977 18.862,978 -2,979 11.252,980 11.792,981 8.527,982 23.06,983 10.856,984 2.235,985 6.161,986 20.685,987 3.101,988 12.263,989 12.695,990 9.342,991 25.332,992 11.804,993 1.852,994 5.282,995 22.518,996 2.712,997 13.387,998 13.923,999 10.216,1000 27.65,1001 12.897,1002 1.763,1003 5.184,1004 24.36,1005 2.57,1006 14.449,1007 14.909,1008 11.051,1009 29.94,1010 13.903,1011 1.585,1012 3.85,1013 26.207,1014 2.221,1015 15.559,1016 16.092,1017 11.912,1018 32.25,1019 14.976,1020 1.366,1021 3.137,1022 28.059,1023 1.92,1024 16.644,1025 17.13,1026 12.755,1027 34.548,1028 16.012,1029 6804,1030 11052,1031 15.197,1032 33.455,1033 34.073,1034 34.11,1035 34.663,1036 33.456,1037 33.372,1038 36.583,1039 8.513,1040 83.433,1041 32.245,1042 4.969,1043 5.426,1044 6.382,1045 5.025,1046 5.007,1047 5.488,1048 3.925,1049 16.515,1050 4.874,1051 14.692,1052 1.42,1053 1.421,1054 1.444,1055 1.394,1056 1.39,1057 1.524,1058 0.355,1059 3.476,1060 1.344,1061 3.935,1062 3.968,1063 3.835,1064 3.81,1065 7.474,1066 3.809,1067 3.759,1068 3.815,1069 3.623,1070 3.639,1071 6.453,1072 3.625,1073 3.722,1074 3.768,1075 3.588,1076 3.576,1077 6.447,1078 3.569,1079 3.54,1080 3.596,1081 3.395,1082 3.395,1083 6.351,1084 3.385,1085 3.459,1086 3.493,1087 3.337,1088 3.273,1089 4.643,1090 3.28,1091 3.223,1092 3.302,1093 3.02,1094 3.063,1095 4.37,1096 3.04,1097 3.122,1098 3.171,1099 2.95,1100 2.872,1101 4.191,1102 2.883,1103 2.934,1104 3.008,1105 2.716,1106 2.686,1107 4.074,1108 2.675,1109 0.169,1110 0.15,1111 0.27,1112 0.166,1113 0.126,1114 4.057,1115 0.129,1116 3.596,1117 0.098,1118 6.471,1119 0.417,1120 3.986,1121 0.121,1122 3.026,1123 3.101,1124 2.341,1125 10.007,1126 2.901,1127 1.83,1128 1.788,1129 2.033,1130 1.967,1131 1.361,1132 1.99,1133 1.772,1134 1.719,1135 2.003,1136 1.927,1137 1.326,1138 1.955,1139 1.665,1140 1.614,1141 1.889,1142 1.834,1143 1.224,1144 1.853,1145 1.553,1146 1.502,1147 1.799,1148 1.751,1149 1.038,1150 1.765,1151 1.375,1152 1.335,1153 1.634,1154 1.628,1155 0.852,1156 1.625,1157 1.343,1158 1.284,1159 1.611,1160 1.564,1161 0.792,1162 1.576,1163 1.115,1164 1.051,1165 1.427,1166 1.381,1167 0.624,1168 1.399,1169 0.952,1170 0.891,1171 1.296,1172 1.258,1173 0.497,1174 1.263,1175 3.892,1177 5.106,1178 2.398,1179 6.475,1180 4.727,1181 7.928,1182 6.783,1183 9.436,1185 2.135,1189 28.562,1190 6.574,1192 5.604,1194 -1.144,1199 31.003,1200 72.892,1201 167.996,1202 251.728,1203 294.457,1204 302.457,1205 302.457,1206 99.989,1207 6.186,1208 86.99,1209 86.99,1210 5,1211 11.711,1212 2,1213 2,1214 67.281,1215 101,1216 115,1217 0.311,1218 196.831,1219 360.93,1220 472.027,1221 3630,1223 17.786,1224 0.741,1225 0.61,1226 17.786,1227 14.641,1228 11.541,1229 0.481,1230 0.378,1231 8.97,1232 11.129,1233 8.791,1234 7.334,1235 11.541,1236 9.07,1237 9.542,1238 0.329,1239 0.223,1240 9.542,1241 6.47,1242 6.729,1243 0.21,1244 0.136,1245 6.729,1246 4.338,1247 4.92,1248 0.137,1249 0.079,1250 4.92,1251 2.845,1252 3.381,1253 0.094,1254 0.047,1255 3.381,1256 1.681,1257 0.506,1258 72.463,1259 0.257,1260 24.445,1261 0.799,1262 106,1263 319.92,1264 118.179,1265 294.067,1266 369.58,1267 272,1268 114,1269 233.758,1270 124.409,1271 231.47,1272 332.37,1273 218,1274 5.623}
{0 CHEMBL363439,1 1.583,2 15.5,3 3.875,4 15.019,5 113.754,6 7.517,7 0.182,8 4.193,9 4.292,10 3.712,11 3.638,12 5.354,13 3.639,14 4.773,15 4.92,16 4.115,17 4.006,18 6.321,19 3.985,20 5.054,21 5.265,22 4.054,23 4.122,24 6.221,25 4.052,26 5.078,27 5.316,28 3.966,29 4.077,30 6.198,31 4,32 5.026,33 5.26,34 3.985,35 4.035,36 6.233,37 3.953,38 5.002,39 5.239,40 3.874,41 4.021,42 6.049,43 3.929,44 5.006,45 5.247,46 3.843,47 3.967,48 6.145,49 3.883,50 4.951,51 5.187,52 3.865,53 3.878,54 6.304,55 3.812,56 0.251,57 0.965,58 12.685,59 6.523,60 51.239,61 7.463,62 1.137,63 1.828,64 26.258,65 10.417,66 195.669,67 12.597,68 1.152,69 1.678,70 37.268,71 12.719,72 140.023,73 16.751,74 1.189,75 1.755,76 39.904,77 12.765,78 161.912,79 16.721,80 1.413,81 1.546,82 37.895,83 12.038,84 159.326,85 16.306,86 1.097,87 1.462,88 36.554,89 11.811,90 153.669,91 16.06,92 1.208,93 1.463,94 37.547,95 11.47,96 196.022,97 15.407,98 1.535,99 1.361,100 36.494,101 10.422,102 225.364,103 14.008,104 61,105 44,106 0.26,107 0.604,108 0.812,109 0.913,110 0.924,111 0.924,112 3.501,113 0.954,114 -3.91,115 -3.87,116 -3.67,118 37.7,120 5,121 1,124 2,125 3,127 1,129 4,133 4,134 1,135 1,145 1,150 1,153 1,154 12,155 1,158 5,160 1,162 3,164 11,165 1,167 6,168 2,170 3,171 9,172 1,175 4,179 3,180 6,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 5,202 8,203 1,206 3,209 1,210 4,211 6,212 1,215 5,217 1,219 3,222 5,223 1,226 5,230 3,233 6,236 2134,237 20.714,238 20.714,239 20.714,240 20.714,241 20.714,242 19.408,243 23.028,244 12.582,245 21.28,246 16.295,247 16.295,248 16.295,249 16.295,250 16.295,251 14.262,252 22.91,253 6.029,254 17.333,255 4.347,256 2.251,257 0.988,258 0.373,259 0.307,260 0.307,261 4.165,265 1,266 1,267 1002,268 5.05,270 112.363,271 127.869,277 2.875,278 64.705,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 74.5,289 496,290 4.452,291 4.461,292 7.116,293 4.179,294 3.319,295 3.864,296 3.825,297 11.689,298 2.901,299 4.053,300 3.597,301 6.471,302 3.986,303 3.027,304 3.102,305 2.341,306 10.007,307 2.886,308 3.796,309 3.351,310 5.403,311 3.444,312 2.528,313 3.079,314 1.151,315 7.154,316 2.292,317 3.559,318 2.987,319 5.066,320 3.242,321 2.289,322 2.722,323 0.86,324 6.094,325 2.223,326 3.476,327 2.701,328 4.875,329 3.237,330 2.236,331 2.551,332 0.765,333 5.272,334 2.147,335 3.179,336 2.32,337 4.659,338 2.815,339 1.841,340 2.244,342 5.184,343 1.805,344 2.966,345 2.176,346 4.498,347 2.761,348 1.808,349 2.079,351 4.439,352 1.695,353 2.85,354 1.979,355 4.14,356 2.499,357 1.578,358 1.867,360 3.878,361 1.428,362 2.573,363 1.804,364 3.761,365 2.434,366 1.461,367 1.602,369 3.309,370 1.41,371 2.57,372 1.556,373 3.5,374 2.095,375 1.119,376 1.556,378 2.564,379 1.08,380 2.181,381 1.301,382 3.312,383 2.037,384 1.075,385 1.096,387 2.337,388 1.024,389 2.102,390 1.155,391 3.281,392 1.719,393 0.8,394 0.981,395 1.856,396 0.727,397 1.754,398 1.032,399 2.908,400 1.528,401 0.564,402 0.615,403 1.21,404 0.536,405 1.582,406 0.804,407 2.763,408 1.267,409 0.365,410 0.425,411 0.811,412 0.327,413 1.127,414 0.579,415 2.701,416 0.919,417 -0.049,418 -0.055,419 -0.107,420 -0.047,421 14.357,422 0.449,423 0.922,424 0.029,425 29.25,426 0.914,427 10,428 0.313,429 19.25,430 0.602,431 33.633,432 1.051,433 39.043,434 0.64,435 26.214,436 0.819,437 5.995,438 0.187,439 9.169,440 0.287,441 0.153,442 0.035,443 0.244,444 3,447 0.739,448 1.035,449 0.786,450 1.229,451 0.735,452 1.081,453 0.647,454 0.903,455 0.888,456 1.255,457 0.472,458 1.199,459 0.761,460 0.873,461 0.919,462 1.072,463 0.662,464 1.074,465 0.944,466 0.956,467 0.983,468 1.015,469 0.846,470 1.017,471 0.675,472 0.818,473 0.855,474 0.978,475 0.639,476 0.992,477 0.763,478 0.773,479 0.921,480 1.002,481 0.702,482 1.026,483 0.909,484 0.836,485 0.989,486 0.991,487 0.907,488 1.016,489 0.872,490 0.758,491 0.924,492 0.828,493 0.777,494 0.887,495 7.5,496 0.256,497 3.556,498 1.917,499 1.37,500 0.913,501 0.535,502 0.465,503 0.237,504 0.198,505 15494,506 58110,507 1.919,508 47.5,509 8,510 15,513 3,514 2,516 1,517 1.74,518 1.77,519 3.856,520 0.884,522 1,525 96.587,526 1.583,527 3.68,528 4.943,529 5.558,530 5.623,531 5.623,532 3.371,533 4.664,534 4.966,535 4.131,536 2049.16,537 8.661,538 33632.1,542 361.775,543 1.6,544 4.904,545 0.227,546 0.008,547 0.081,548 0.047,549 0.037,550 0.025,551 0.016,552 0.015,553 0.007,554 0.007,555 0.469,556 0.33,557 0.88,558 1.98,559 175.004,560 -0.075,561 -0.001,562 -0.009,563 0.021,564 -0.108,565 0.031,566 0.217,567 0.161,568 -0.006,569 -0.123,570 0.31,571 -0.154,572 -0.005,573 -0.111,574 -0.011,575 -0.072,576 0.007,577 -0.057,578 -0.099,579 -0.069,580 -0.029,581 -0.037,582 -0.06,583 -0.013,584 0.127,585 0.001,586 0.087,587 -0.005,588 0.078,589 0.017,590 -0.027,591 -0.037,592 0.001,593 -0.032,594 -0.038,595 -0.011,596 -0.067,597 -0.031,598 -0.031,599 -0.04,600 -0.076,601 -0.023,602 0.068,603 0.044,604 0.067,605 0.094,606 0.1,607 0.08,608 5.72,609 4.748,610 0.344,611 44.441,612 1.027,613 1.146,614 2.685,615 7.207,616 0.618,617 3.526,618 3.807,619 3.912,620 4.043,621 4.143,622 4.094,623 4.143,624 4.094,625 4.06,626 4.143,627 9.236,628 0.604,629 458.52,630 3.526,631 5.043,632 5.832,633 6.676,634 7.489,635 8.336,636 9.163,637 10.012,638 10.848,639 11.699,651 4,656 2,658 6,668 1,670 61,671 9,672 1,673 33,675 62,676 23,677 6,678 2,679 4,681 2,682 2,685 1,688 2,689 1,690 1,691 8,693 11,694 12,695 1,696 3,698 1,699 4,701 1,704 1,705 3,707 29,708 9,709 3,710 9,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,754 3,756 32,759 3,760 7,762 2,764 4,766 1,772 3,773 9.8,774 2,775 1,776 1,777 1,778 1,779 18.083,780 10.029,781 7.139,782 3.589,785 1.923,786 1.271,787 0.85,788 10.561,789 9.014,790 3.689,791 4.103,792 4.41,793 4.755,794 5.126,795 5.122,796 5.288,797 5.177,798 5.34,799 5.563,800 1,801 41,802 12.402,803 5.704,804 8.44,805 21.787,806 17.532,807 2.94,808 94.083,811 1,812 306.049,813 114.766,816 175.195,817 44.88,819 114.766,820 481.243,821 44.88,823 21.857,824 161.177,825 79.738,826 64.309,828 306.049,829 7.76,830 306.049,831 114.766,832 220.075,835 294.278,836 135.48,837 96.367,839 29.617,840 47.244,841 37.905,843 350.929,844 175.195,845 114.766,848 313.808,849 31.196,850 75.81,852 220.075,853 306.049,854 220.075,855 114.766,857 0.575,858 0.3,859 0.143,860 0.076,861 16,862 9,863 0.194,864 12,866 1,867 4.42,868 250.077,870 11,871 155.245,874 26.241,875 12.879,876 9.574,878 220.075,879 4.436,884 -0.818,886 128.05,887 640.89,888 39,890 10.458,891 6.845,893 -0.835,895 62.64,896 69.919,897 0.267,898 0.62,899 0.833,900 0.937,901 0.948,902 0.948,903 4.931,904 1.578,905 5.832,906 4.439,907 4.489,908 4.787,909 3.547,910 6.6,911 4.365,912 6.09,913 1.461,914 7.378,915 3.878,916 4.205,917 4.477,918 4.06,919 7.711,920 3.889,921 7.361,922 1.119,923 9.044,924 3.309,925 6.089,926 6.694,927 5.591,928 10.67,929 5.813,930 8.665,931 1.075,932 10.787,933 2.564,934 6.621,935 7.147,936 6.762,937 12.644,938 6.124,939 10.002,940 0.8,941 12.582,942 2.337,943 8.036,944 8.914,945 8.115,946 15.221,947 7.552,948 11.364,949 0.564,950 14.415,951 1.856,952 8.931,953 9.743,954 9.418,955 17.496,956 8.243,957 12.745,958 0.365,959 16.276,960 1.21,961 10.18,962 11.316,963 10.755,964 19.969,965 9.46,966 3.319,967 -0.049,968 18.158,969 0.811,970 11.236,971 12.355,972 12.086,973 22.348,974 10.34,975 3.027,976 11.689,977 20.055,978 -0.107,979 12.43,980 13.831,981 13.424,982 24.795,983 11.466,984 2.528,985 10.007,986 21.964,987 3.864,988 13.555,989 14.994,990 14.762,991 27.212,992 12.438,993 2.289,994 7.154,995 23.882,996 3.102,997 14.734,998 16.417,999 16.102,1000 29.654,1001 13.525,1002 2.236,1003 6.094,1004 25.808,1005 3.079,1006 15.889,1007 17.654,1008 17.443,1009 32.088,1010 14.543,1011 1.841,1012 5.272,1013 27.739,1014 2.722,1015 17.067,1016 19.048,1017 18.784,1018 34.531,1019 15.614,1020 1.808,1021 5.184,1022 29.674,1023 2.551,1024 18.237,1025 20.329,1026 20.125,1027 36.973,1028 16.654,1029 15704,1030 30694,1031 20.86,1032 37.722,1033 49.093,1034 48.126,1035 48.91,1036 48.269,1037 48.022,1038 55.564,1039 17.883,1040 131.611,1041 44.959,1042 5.4,1043 6.461,1044 6.979,1045 5.243,1046 5.319,1047 6.864,1048 5.409,1049 18.66,1050 4.901,1051 21,1052 1.488,1053 1.458,1054 1.482,1055 1.463,1056 1.455,1057 1.684,1058 0.542,1059 3.988,1060 1.362,1061 3.963,1062 3.989,1063 3.907,1064 3.859,1065 8.513,1066 3.864,1067 3.901,1068 3.929,1069 3.816,1070 3.788,1071 7.999,1072 3.787,1073 3.752,1074 3.794,1075 3.637,1076 3.632,1077 7.999,1078 3.625,1079 3.621,1080 3.659,1081 3.514,1082 3.465,1083 7.474,1084 3.465,1085 3.516,1086 3.556,1087 3.398,1088 3.323,1089 6.453,1090 3.329,1091 3.327,1092 3.366,1093 3.329,1094 3.039,1095 6.447,1096 3.086,1097 3.236,1098 3.278,1099 3.088,1100 3.02,1101 6.351,1102 3.031,1103 3.145,1104 3.198,1105 3.005,1106 2.934,1107 4.821,1108 2.943,1109 0.135,1110 0.135,1111 0.216,1112 0.127,1113 0.101,1114 4.452,1115 0.117,1116 4.461,1117 0.116,1118 7.116,1119 0.354,1120 4.179,1121 0.088,1122 3.319,1123 3.864,1124 3.825,1125 11.689,1126 2.901,1127 1.894,1128 1.874,1129 2.03,1130 2.006,1131 1.394,1132 2.001,1133 1.825,1134 1.781,1135 1.991,1136 1.959,1137 1.176,1138 1.982,1139 1.718,1140 1.679,1141 1.908,1142 1.869,1143 1.098,1144 1.881,1145 1.599,1146 1.556,1147 1.815,1148 1.793,1149 1.041,1150 1.798,1151 1.433,1152 1.387,1153 1.682,1154 1.663,1155 0.981,1156 1.665,1157 1.308,1158 1.271,1159 1.558,1160 1.586,1161 0.796,1162 1.571,1163 1.151,1164 1.106,1165 1.417,1166 1.438,1167 0.59,1168 1.4,1169 1.085,1170 1.046,1171 1.225,1172 1.385,1173 0.363,1174 1.33,1175 4.205,1177 5.493,1178 2.398,1179 6.94,1180 4.727,1181 8.465,1182 6.783,1183 10.038,1187 38.244,1189 28.824,1190 2.779,1192 10.827,1194 -2.206,1196 -4.47,1199 36.867,1200 96.587,1201 224.452,1202 301.51,1203 339.02,1204 343.02,1205 343.02,1206 137.568,1207 7.091,1208 96.22,1209 96.22,1210 11,1211 12.26,1212 3.322,1213 2.807,1214 77.418,1215 176,1216 187,1217 0.207,1218 226.615,1219 425.95,1220 544.701,1221 13053,1222 4.9,1223 23.562,1224 0.736,1225 0.549,1226 21.062,1227 17.578,1228 15.164,1229 0.46,1230 0.318,1231 10.285,1232 14.327,1233 10.187,1234 8.342,1235 13.952,1236 10.494,1237 14.073,1238 0.32,1239 0.174,1240 12.115,1241 7.653,1242 9.754,1243 0.199,1244 0.104,1245 8.791,1246 5.08,1247 7.214,1248 0.129,1249 0.06,1250 6.696,1251 3.382,1252 5.485,1253 0.088,1254 0.035,1255 4.856,1256 2.141,1257 0.342,1258 97.358,1259 0.219,1260 31.138,1261 0.522,1262 154,1263 703.989,1264 186.739,1265 574.941,1266 716.14,1267 530,1268 170,1269 459.212,1270 194.65,1271 437.519,1272 652.86,1273 410,1274 6.107}
{0 CHEMBL363800,1 1.419,2 12.472,3 6.261,4 39.201,5 133.459,6 7.644,7 0.561,8 4.258,9 4.345,10 3.856,11 3.849,12 5.357,13 3.835,14 4.784,15 4.91,16 4.208,17 4.24,18 5.899,19 4.202,20 5.087,21 5.267,22 4.289,23 4.368,24 6.115,25 4.303,26 5.113,27 5.313,28 4.26,29 4.356,30 6.044,31 4.294,32 5.094,33 5.276,34 4.333,35 4.396,36 6.112,37 4.353,38 5.132,39 5.292,40 4.373,41 4.483,42 6.168,43 4.426,44 5.219,45 5.398,46 4.363,47 4.525,48 6.201,49 4.445,50 5.266,51 5.474,52 4.205,53 4.516,54 6.177,55 4.389,56 0.037,57 0.792,58 12.11,59 6.251,60 11.486,61 7.385,62 0.261,63 1.328,64 22.619,65 10.543,66 46.666,67 12.872,68 0.686,69 1.763,70 34.886,71 14.114,72 75.421,73 17.814,74 0.427,75 1.844,76 36.631,77 14.167,78 48.377,79 17.92,80 0.475,81 1.832,82 35.099,83 13.398,84 53.536,85 16.474,86 0.373,87 1.873,88 34.681,89 14.652,90 55.039,91 17.835,92 0.49,93 2.02,94 39.053,95 16.467,96 60.208,97 20.587,98 0.603,99 2.114,100 42.645,101 17.819,102 76.603,103 23.056,104 8,105 59,106 0.224,107 0.552,108 0.692,109 0.815,110 0.859,111 0.874,112 3.616,113 0.905,114 -5.64,115 -5.51,116 -5.14,118 47.6,120 4,121 1,124 1,125 1,126 1,133 14,134 3,135 1,137 1,142 1,145 1,147 1,150 1,153 1,154 21,157 1,158 6,159 1,160 1,164 22,166 3,167 13,168 1,171 15,175 17,180 10,181 2,184 17,189 2,192 15,193 2,196 14,200 2,202 24,203 2,205 1,206 10,210 2,211 30,212 1,214 2,215 6,219 1,222 31,223 1,226 1,227 1,230 1,233 25,234 1,236 2574,237 24.918,238 24.918,239 24.918,240 24.918,241 24.918,242 22.055,243 17.465,244 14.84,245 25.181,246 20.317,247 20.317,248 20.317,249 20.317,250 20.317,251 16.078,252 21.28,253 7.097,254 20.8,255 4.559,256 2.482,257 1.595,258 0.82,259 0.54,260 0.444,261 4.329,266 1,267 999,268 3.674,269 51.732,270 87.53,271 445.008,272 129.261,277 2.028,278 34.124,280 0.75,281 0.67,282 1,283 0.8,284 0.5,285 1,286 1,287 0.82,288 77.5,289 449,290 4.906,291 4.227,292 8.327,293 4.798,294 3.849,295 4.33,296 2.423,297 16.638,298 3.649,299 4.458,300 3.628,301 6.719,302 4.112,303 3.126,304 3.849,305 1.151,306 10.956,307 3.082,308 4.074,309 3.14,310 5.763,311 3.683,312 2.71,313 3.665,314 0.922,315 7.924,316 2.642,317 3.909,318 2.948,319 5.729,320 3.508,321 2.511,322 3.473,324 7.796,325 2.504,326 3.582,327 2.545,328 5.548,329 3.26,330 2.293,331 3.028,333 6.714,334 2.196,335 3.554,336 2.511,337 5.459,338 3.127,339 2.145,340 2.751,342 6.542,343 2.102,344 3.364,345 2.276,346 4.951,347 3.058,348 2.079,349 2.572,351 5.531,352 2.017,353 3.084,354 1.977,355 4.683,356 2.755,357 1.784,358 2.272,360 4.958,361 1.739,362 2.967,363 1.825,364 4.588,365 2.747,366 1.758,367 2.164,369 4.609,370 1.719,371 2.929,372 1.524,373 4.101,374 2.519,375 1.524,376 1.964,378 3.42,379 1.516,380 2.66,381 1.475,382 4,383 2.375,384 1.391,385 1.725,387 3.35,388 1.365,389 2.59,390 1.425,391 3.507,392 2.199,393 1.209,394 1.612,395 2.656,396 1.195,397 2.5,398 1.168,399 3.499,400 2,401 1,402 1.5,403 2.514,404 1,405 2.5,406 1.033,407 3.437,408 2,409 1,410 1.5,411 2.136,412 1,413 2.367,414 1,415 3.429,416 1.984,417 0.994,418 1.338,419 2.136,420 0.982,421 17.067,422 0.474,423 0.799,424 0.022,425 47,426 1.306,427 24,428 0.667,429 23,430 0.639,431 32.984,432 0.916,433 37.533,434 0.596,435 37.422,436 1.039,437 9.079,438 0.252,439 8.552,440 0.238,441 0.039,442 0.029,443 0.293,447 0.801,448 1.065,449 0.744,450 1.003,451 0.733,452 0.888,453 0.781,454 1.135,455 0.89,456 1.102,457 0.513,458 1.032,459 0.884,460 1.037,461 0.951,462 0.993,463 0.786,464 0.988,465 1.125,466 1.034,467 0.963,468 0.942,469 0.58,470 0.922,471 1.265,472 0.899,473 0.984,474 0.831,475 0.729,476 0.839,477 1.136,478 1.06,479 1.072,480 1.049,481 0.927,482 1.045,483 0.982,484 1.063,485 1.068,486 1.083,487 0.739,488 1.089,489 0.836,490 1.053,491 1.153,492 1.112,493 0.843,494 1.179,495 7,496 0.213,497 3.944,498 2.542,499 1.732,500 1.532,501 0.963,502 0.576,503 0.364,504 0.26,505 19597,506 51612,507 2.196,508 42.9,509 6,510 17,513 1,515 3,517 1.78,518 2.107,519 3.571,520 -0.438,525 89.37,526 1.419,527 3.495,528 4.383,529 5.157,530 5.438,531 5.533,532 3.081,533 4.448,534 5.136,535 3.774,536 2377.31,537 9.064,538 36953.9,542 376.569,543 1.302,544 5.119,545 0.171,546 0.006,547 0.07,548 0.044,549 0.03,550 0.024,551 0.015,552 0.009,553 0.007,554 0.006,555 0.383,556 0.17,557 0.63,558 0.806,559 194.376,560 -0.034,561 -0.027,562 0.056,563 0.005,564 -0.061,565 0.039,566 0.093,567 -0.115,568 -0.021,569 -0.108,570 0.16,571 -0.091,572 0.157,573 -0.041,574 0.019,575 -0.013,576 0.057,577 -0.023,578 -0.101,579 -0.016,580 0.025,581 0.025,582 -0.014,583 0.043,584 -0.169,585 0.156,586 -0.011,587 0.124,588 -0.033,589 0.097,590 -0.142,591 -0.042,592 -0.143,593 -0.07,594 -0.083,595 -0.098,596 -0.044,597 -0.073,598 -0.122,599 -0.094,600 -0.038,601 -0.116,602 -0.017,603 -0.084,604 -0.192,605 -0.114,606 -0.096,607 -0.174,608 2.659,609 3.898,610 0.833,611 40.5,612 1.004,613 1.11,614 4.409,615 19.443,616 0.685,617 3.738,618 4.094,619 4.407,620 4.727,621 5.004,622 5.182,623 5.384,624 5.561,625 5.71,626 5.805,627 7.416,628 0.658,629 481.58,630 3.738,631 5.303,632 6.188,633 7.104,634 8.023,635 8.958,636 9.896,637 10.846,638 11.797,639 12.756,640 1.6,647 1,651 14,652 1,654 1,656 7,658 23,668 1,670 63,671 24,672 3,673 41,675 68,676 30,677 21,678 4,679 14,681 6,682 7,688 4,689 2,691 5,693 22,694 8,695 2,696 1,698 1,701 1,707 27,708 6,709 1,710 6,714 1,717 0.833,718 5,721 1,722 1,729 1,730 1,731 4,732 1,739 1,746 1,747 1,748 5,756 36,759 1,760 5,762 2,764 2,766 1,773 7.9,775 1,776 1,777 1,778 2,779 17.083,780 11.15,781 7.792,782 3.942,785 3.26,786 1.377,787 0.988,788 6.12,789 11.905,790 3.998,791 4.582,792 5.139,793 5.73,794 6.258,795 6.567,796 7.024,797 7.431,798 7.818,799 8.116,800 1,801 58,802 13.372,803 5.916,804 7.701,805 25.772,806 22.266,807 2.201,808 79.25,812 306.049,813 176.334,814 16.786,816 99.335,819 176.334,820 405.384,821 16.786,823 14.731,824 132.667,825 101.544,826 38.064,827 5.449,828 306.049,830 306.049,831 193.119,832 99.335,835 270.735,836 123.649,837 11,839 22.507,840 153.826,841 16.786,843 306.049,844 116.121,845 176.334,848 306.049,849 43.666,850 132.667,852 116.121,853 306.049,854 116.121,855 176.334,857 0.58,858 0.331,859 0.187,860 0.107,861 31,862 12,863 0.118,864 8,865 1,866 1.067,867 4.644,868 370.905,869 0.067,870 30,871 178.117,874 23.023,875 9.57,876 4.602,878 116.121,879 27.864,880 5.071,882 6.57,884 5.865,886 42.683,887 598.503,888 53.5,890 10.898,893 -0.992,895 63.225,896 69.943,897 0.237,898 0.585,899 0.733,900 0.863,901 0.91,902 0.926,903 5.256,904 1.784,905 6.192,906 5.531,907 4.779,908 5.27,909 2.699,910 7.104,911 4.728,912 6.467,913 1.758,914 7.81,915 4.958,916 4.511,917 5.007,918 2.243,919 8.542,920 4.399,921 7.795,922 1.524,923 9.56,924 4.609,925 6.509,926 7.42,927 3.909,928 11.727,929 6.387,930 9.164,931 1.391,932 11.405,933 3.42,934 7.163,935 7.99,936 4.238,937 14.151,938 6.963,939 10.576,940 1.209,941 13.32,942 3.35,943 8.669,944 9.872,945 5.457,946 17.018,947 8.448,948 12.018,949 1,950 15.287,951 2.656,952 9.733,953 10.846,954 6.111,955 19.729,956 9.432,957 13.487,958 1,959 17.294,960 2.514,961 11.093,962 12.494,963 7.143,964 22.543,965 10.754,966 3.849,967 0.994,968 19.329,969 2.136,970 12.325,971 13.68,972 7.928,973 25.327,974 11.913,975 3.126,976 16.638,977 21.387,978 2.136,979 13.653,980 15.216,981 8.879,982 28.135,983 13.191,984 2.71,985 10.956,986 23.46,987 4.33,988 14.949,989 16.518,990 9.719,991 30.938,992 14.422,993 2.511,994 7.924,995 25.545,996 3.849,997 16.277,998 18.001,999 10.635,1000 33.748,1001 15.694,1002 2.293,1003 7.796,1004 27.639,1005 3.665,1006 17.599,1007 19.368,1008 11.499,1009 36.556,1010 16.955,1011 2.145,1012 6.714,1013 29.738,1014 3.473,1015 18.933,1016 20.828,1017 12.399,1018 39.367,1019 18.231,1020 2.079,1021 6.542,1022 31.843,1023 3.028,1024 20.266,1025 22.231,1026 13.274,1027 42.177,1028 19.505,1029 18154,1030 29594,1031 28.315,1032 43.176,1033 62.772,1034 62.787,1035 63.455,1036 61.985,1037 61.922,1038 79.625,1039 8.992,1040 184.008,1041 60.386,1042 5.906,1043 6.227,1044 8.129,1045 5.875,1046 5.849,1047 7.33,1048 4.104,1049 24.854,1050 5.649,1051 12.205,1052 1.531,1053 1.531,1054 1.548,1055 1.512,1056 1.51,1057 1.942,1058 0.219,1059 4.488,1060 1.473,1061 4.123,1062 4.138,1063 4.084,1064 4.006,1065 7.474,1066 4.019,1067 3.953,1068 3.978,1069 3.891,1070 3.883,1071 6.351,1072 3.881,1073 3.873,1074 3.894,1075 3.808,1076 3.789,1077 5.168,1078 3.78,1079 3.842,1080 3.873,1081 3.769,1082 3.774,1083 4.835,1084 3.778,1085 3.583,1086 3.612,1087 3.513,1088 3.409,1089 4.742,1090 3.432,1091 3.532,1092 3.536,1093 3.458,1094 3.262,1095 4.72,1096 3.305,1097 3.267,1098 3.322,1099 3.131,1100 3.118,1101 4.61,1102 3.11,1103 3.2,1104 3.251,1105 3.043,1106 3.034,1107 4.287,1108 3.033,1109 0.12,1110 0.103,1111 0.203,1112 0.117,1113 0.094,1114 4.906,1115 0.106,1116 4.227,1117 0.059,1118 8.327,1119 0.406,1120 4.798,1121 0.089,1122 3.849,1123 4.33,1124 2.423,1125 16.638,1126 3.649,1127 1.942,1128 1.92,1129 2.077,1130 2.034,1131 1.469,1132 2.048,1133 1.939,1134 1.912,1135 2.045,1136 2.015,1137 1.145,1138 2.026,1139 1.86,1140 1.832,1141 1.988,1142 1.942,1143 1.136,1144 1.958,1145 1.766,1146 1.726,1147 1.947,1148 1.895,1149 1.045,1150 1.914,1151 1.396,1152 1.378,1153 1.609,1154 1.688,1155 0.874,1156 1.651,1157 1.318,1158 1.274,1159 1.552,1160 1.538,1161 0.697,1162 1.534,1163 1.27,1164 1.248,1165 1.366,1166 1.424,1167 0.664,1168 1.394,1169 1.171,1170 1.139,1171 1.327,1172 1.393,1173 0.483,1174 1.379,1175 4.419,1176 1.946,1177 5.765,1178 4.263,1179 7.324,1180 6.447,1181 8.991,1182 8.548,1183 10.724,1189 8.935,1190 3.486,1192 11.82,1194 0.283,1196 -0.549,1199 41.444,1200 89.37,1201 220.188,1202 276.104,1203 324.917,1204 342.569,1205 348.569,1206 61.258,1207 8.646,1208 85.09,1209 85.09,1210 32,1211 13.242,1212 4.644,1213 3.755,1214 48.777,1215 155,1216 190,1217 0.15,1218 245.827,1219 433.07,1220 591.578,1221 76183,1223 24.537,1224 0.682,1225 0.55,1226 24.537,1227 19.801,1228 17.631,1229 0.43,1230 0.302,1231 12.232,1232 17.087,1233 12.026,1234 9.868,1235 17.631,1236 12.368,1237 16.039,1238 0.272,1239 0.161,1240 16.039,1241 9.49,1242 13.457,1243 0.166,1244 0.087,1245 13.457,1246 7.053,1247 11.688,1248 0.104,1249 0.048,1250 11.688,1251 5.359,1252 9.848,1253 0.067,1254 0.027,1255 9.848,1256 3.954,1257 0.233,1258 109.835,1259 0.188,1260 32.592,1261 0.42,1262 200,1263 560.737,1264 219.215,1265 533.101,1266 739.41,1267 502,1268 243,1269 554.574,1270 264.157,1271 555.032,1272 828.68,1273 526,1274 5}
{0 CHEMBL363946,1 1.361,2 14.393,3 2.933,4 8.603,5 107.78,6 6.733,7 0.207,8 4.124,9 4.229,10 3.563,11 3.596,12 5.208,13 3.567,14 4.678,15 4.833,16 3.853,17 3.96,18 5.784,19 3.894,20 4.995,21 5.221,22 3.832,23 4.061,24 6.011,25 3.947,26 4.965,27 5.214,28 3.696,29 4.011,30 5.872,31 3.876,32 4.926,33 5.176,34 3.722,35 3.987,36 5.868,37 3.857,38 4.943,39 5.187,40 3.735,41 3.977,42 5.903,43 3.856,44 4.917,45 5.163,46 3.662,47 3.912,48 5.954,49 3.787,50 4.843,51 5.098,52 3.561,53 3.818,54 5.801,55 3.695,56 0.076,57 0.725,58 13.522,59 6.08,60 20.82,61 7.687,62 0.299,63 1.149,64 24.573,65 9.689,66 60.642,67 12.768,68 0.707,69 1.402,70 35.378,71 11.944,72 96.866,73 16.56,74 0.5,75 1.356,76 34.168,77 11.641,78 77.144,79 16.388,80 0.508,81 1.317,82 32.733,83 11.341,84 76.103,85 16.038,86 0.565,87 1.313,88 33.545,89 11.235,90 79.859,91 15.803,92 0.581,93 1.253,94 32.897,95 10.7,96 101.136,97 15.098,98 0.642,99 1.138,100 30.909,101 9.703,102 88.438,103 13.707,104 25,105 36,106 0.226,107 0.57,108 0.784,109 0.89,110 0.91,111 0.91,112 3.373,113 1.01,114 -3.12,115 -3.11,116 -2.99,118 37.9,120 5,121 1,124 2,125 3,129 4,133 5,135 1,145 1,150 1,153 1,154 12,155 1,158 5,160 1,162 3,164 11,165 1,167 6,168 2,170 3,171 9,172 1,175 4,179 3,180 6,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 5,202 8,203 1,206 3,209 1,210 4,211 6,212 1,215 5,217 1,219 3,222 5,223 1,226 5,230 3,233 6,236 1592,237 18.794,238 18.794,239 18.794,240 18.794,241 18.794,242 17.422,243 18.574,244 11.822,245 19.109,246 14.337,247 14.337,248 14.337,249 14.337,250 14.337,251 12.314,252 17.449,253 5.696,254 14.893,255 4.497,256 2.426,257 1.136,258 0.496,259 0.379,260 0.379,261 4.042,265 1,266 1,267 820,268 4.359,270 97.215,271 111.431,277 2.635,278 36.861,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 62,289 403,290 4.053,291 3.597,292 6.471,293 3.986,294 3.027,295 3.446,296 2.341,297 10.007,298 2.9,299 3.902,300 3.351,301 5.364,302 3.497,303 2.557,304 3.093,305 1.151,306 7.027,307 2.399,308 3.559,309 2.982,310 5.059,311 3.256,312 2.298,313 2.722,314 0.86,315 6.067,316 2.223,317 3.481,318 2.686,319 4.869,320 3.241,321 2.236,322 2.556,323 0.765,324 5.263,325 2.19,326 3.179,327 2.318,328 4.659,329 2.815,330 1.84,331 2.244,333 5.184,334 1.805,335 2.961,336 2.176,337 4.14,338 2.762,339 1.808,340 2.099,342 3.879,343 1.697,344 2.841,345 1.805,346 3.761,347 2.458,348 1.491,349 1.864,351 3.31,352 1.434,353 2.571,354 1.696,355 3.633,356 2.432,357 1.46,358 1.556,360 3.137,361 1.411,362 2.5,363 1.554,364 3.309,365 2.037,366 1.075,367 1.5,369 2.337,370 1.024,371 2.18,372 1.192,373 3.247,374 2,375 1,376 1.096,378 2.136,379 1,380 2.102,381 1.036,382 3.238,383 1.718,384 0.798,385 0.98,387 1.83,388 0.725,389 1.754,390 1,391 2.858,392 1.528,393 0.563,394 0.615,395 1.204,396 0.536,397 1.582,398 0.804,399 2.719,400 1.267,401 0.364,402 0.424,403 0.8,404 0.327,405 1.127,406 0.579,407 2.267,408 0.919,409 -0.049,410 -0.055,411 -0.106,412 -0.047,413 0.721,414 0.268,415 2.098,416 0.513,417 -0.439,418 -0.456,419 -0.973,420 -0.41,421 13,422 0.464,423 0.527,424 0.019,425 26.5,426 0.946,427 10,428 0.357,429 16.5,430 0.589,431 27.84,432 0.994,433 33.2,434 0.572,435 19.741,436 0.705,437 5.316,438 0.19,439 8.243,440 0.294,441 0.103,443 0.231,447 0.906,448 1.239,449 0.931,450 1.218,451 0.892,452 1.099,453 0.925,454 1.325,455 1.077,456 1.318,457 0.672,458 1.243,459 1.006,460 1.022,461 1.058,462 1.028,463 0.949,464 1.051,465 0.977,466 0.992,467 1.017,468 0.997,469 0.82,470 1.013,471 0.804,472 0.998,473 0.921,474 1.001,475 0.722,476 0.988,477 0.95,478 0.991,479 0.969,480 0.991,481 0.9,482 0.985,483 1.019,484 1.005,485 1.008,486 1.004,487 1.051,488 1.004,489 1.126,490 0.818,491 0.987,492 0.82,493 1.058,494 0.866,495 4.5,496 0.177,497 2.444,498 1.229,499 0.881,500 0.615,501 0.412,502 0.278,503 0.187,504 0.158,505 11046,506 31938,507 1.976,508 51.7,509 8,510 16,513 3,514 2,516 1,517 1.705,518 1.867,519 3.769,520 0.882,521 1,522 1,525 78.939,526 1.361,527 3.432,528 4.722,529 5.362,530 5.479,531 5.479,532 3.258,533 4.45,534 4.771,535 4.004,536 1513.7,537 8.274,538 22456,540 1,541 1,542 339.763,543 1.287,544 4.745,545 0.155,546 0.007,547 0.068,548 0.037,549 0.03,550 0.02,551 0.014,552 0.01,553 0.007,554 0.006,555 0.356,556 0.33,557 0.88,558 1.946,559 146.782,560 -0.084,561 0.02,562 0.001,563 0.025,564 -0.113,565 0.03,566 -0.008,567 -0.184,568 -0.121,569 -0.188,570 0.064,571 -0.18,572 0.001,573 -0.029,574 -0.073,575 -0.038,576 -0.037,577 -0.066,578 -0.09,579 -0.019,580 -0.052,581 -0.019,582 -0.051,583 -0.026,584 0.024,585 -0.019,586 0.034,587 -0.014,588 0.034,589 0.009,590 -0.013,591 -0.021,592 0.006,593 -0.018,594 -0.038,595 -0.004,596 -0.027,597 -0.051,598 -0.022,599 -0.048,600 -0.022,601 -0.036,602 -0.062,603 0.111,604 0.016,605 0.109,606 -0.086,607 0.084,608 2.457,609 4.149,610 0.393,611 37.837,612 1.004,613 1.129,614 1.886,615 3.558,616 0.623,617 3.401,618 3.611,619 3.738,620 3.871,621 3.932,622 3.85,623 3.871,624 3.892,625 3.892,626 3.932,627 8.455,628 0.589,629 390.52,630 3.401,631 4.875,632 5.652,633 6.463,634 7.262,635 8.081,636 8.892,637 9.717,638 10.537,639 11.367,651 5,656 1,658 6,668 1,670 58,671 9,672 1,673 29,675 59,676 22,677 6,678 1,679 5,681 2,682 2,688 2,689 1,691 8,693 11,694 11,695 1,696 3,698 1,699 4,701 1,704 1,707 30,708 6,709 3,710 6,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,756 28,759 3,760 7,762 2,764 4,773 10.3,774 2,775 1,776 1,777 1,778 1,779 15,780 9.433,781 6.472,782 3.475,785 1.789,786 1.265,787 0.845,788 10.114,789 8.535,790 3.584,791 3.942,792 4.23,793 4.539,794 4.859,795 4.683,796 4.794,797 4.934,798 5.107,799 5.286,800 0.9,801 33,802 10.429,803 4.315,804 7.97,805 19.764,806 15.795,807 2.47,808 69.167,811 1,812 317.82,813 113.297,816 175.195,819 113.297,820 493.014,823 21.857,824 170.653,825 79.738,826 16.243,828 317.82,830 317.82,831 113.297,832 175.195,835 306.049,836 90.599,837 96.367,839 21.857,840 53.535,841 37.905,843 317.82,844 175.195,845 113.297,848 317.82,849 28.011,850 85.286,852 175.195,853 317.82,854 175.195,855 113.297,857 0.554,858 0.294,859 0.147,860 0.076,861 12,862 6,863 0.203,864 12,866 1,867 4.211,868 203.169,870 11,871 130.606,874 22.471,875 12.603,876 8.83,878 175.195,879 9.31,884 0.705,886 128.05,887 606.311,888 35,890 10.449,891 7.337,893 -0.79,895 58.218,896 65.484,897 0.232,898 0.586,899 0.806,900 0.915,901 0.935,902 0.935,903 4.775,904 1.46,905 5.572,906 3.31,907 4.29,908 4.625,909 2.699,910 6.236,911 4.212,912 5.876,913 1.075,914 7.04,915 3.137,916 3.611,917 3.922,918 2.243,919 6.899,920 3.464,921 7.09,922 1,923 8.611,924 2.337,925 5.733,926 6.422,927 3.76,928 9.953,929 5.577,930 8.33,931 0.798,932 10.249,933 2.136,934 5.916,935 6.481,936 4.112,937 11.585,938 5.676,939 9.601,940 0.563,941 11.936,942 1.83,943 7.459,944 8.481,945 5.233,946 14.134,947 7.216,948 10.893,949 0.364,950 13.659,951 1.204,952 8.082,953 8.917,954 5.889,955 16.172,956 7.755,957 12.201,958 -0.049,959 15.411,960 0.8,961 9.367,962 10.682,963 6.856,964 18.557,965 9.033,966 3.027,967 -0.439,968 17.186,969 -0.106,970 10.223,971 11.34,972 7.625,973 20.757,974 9.814,975 2.557,976 10.007,977 18.978,978 -0.973,979 11.393,980 12.967,981 8.527,982 23.088,983 10.966,984 2.298,985 7.027,986 20.786,987 3.446,988 12.371,989 13.77,990 9.342,991 25.351,992 11.88,993 2.236,994 6.067,995 22.605,996 3.093,997 13.493,998 15.305,999 10.216,1000 27.664,1001 12.976,1002 1.84,1003 5.263,1004 24.434,1005 2.722,1006 14.532,1007 16.21,1008 11.051,1009 29.95,1010 13.959,1011 1.808,1012 5.184,1013 26.27,1014 2.556,1015 15.637,1016 17.678,1017 11.912,1018 32.257,1019 15.032,1020 1.491,1021 3.879,1022 28.113,1023 2.244,1024 16.707,1025 18.659,1026 12.755,1027 34.553,1028 16.052,1029 11108,1030 18956,1031 19.068,1032 36.148,1033 41.951,1034 42.142,1035 42.103,1036 41.067,1037 41.037,1038 48.39,1039 10.233,1040 104.361,1041 39.345,1042 5.001,1043 5.597,1044 6.334,1045 5.043,1046 5.027,1047 6.446,1048 3.925,1049 16.516,1050 4.9,1051 14.502,1052 1.447,1053 1.453,1054 1.452,1055 1.416,1056 1.415,1057 1.669,1058 0.353,1059 3.599,1060 1.357,1061 3.945,1062 3.976,1063 3.855,1064 3.834,1065 7.474,1066 3.833,1067 3.875,1068 3.902,1069 3.794,1070 3.779,1071 6.453,1072 3.777,1073 3.752,1074 3.794,1075 3.637,1076 3.632,1077 6.447,1078 3.625,1079 3.614,1080 3.653,1081 3.497,1082 3.463,1083 6.351,1084 3.462,1085 3.514,1086 3.554,1087 3.393,1088 3.322,1089 4.857,1090 3.328,1091 3.237,1092 3.278,1093 3.089,1094 3.025,1095 4.634,1096 3.033,1097 3.166,1098 3.214,1099 3.025,1100 2.965,1101 4.396,1102 2.97,1103 2.903,1104 2.968,1105 2.744,1106 2.735,1107 4.322,1108 2.715,1109 0.14,1110 0.124,1111 0.223,1112 0.137,1113 0.104,1114 4.053,1115 0.119,1116 3.597,1117 0.081,1118 6.471,1119 0.345,1120 3.986,1121 0.1,1122 3.027,1123 3.446,1124 2.341,1125 10.007,1126 2.9,1127 1.875,1128 1.851,1129 2.03,1130 1.986,1131 1.394,1132 1.995,1133 1.825,1134 1.78,1135 2.001,1136 1.956,1137 1.175,1138 1.978,1139 1.717,1140 1.678,1141 1.908,1142 1.867,1143 1.078,1144 1.88,1145 1.598,1146 1.555,1147 1.815,1148 1.789,1149 1.026,1150 1.796,1151 1.433,1152 1.387,1153 1.682,1154 1.663,1155 0.977,1156 1.665,1157 1.306,1158 1.267,1159 1.558,1160 1.579,1161 0.795,1162 1.569,1163 1.144,1164 1.096,1165 1.417,1166 1.395,1167 0.589,1168 1.396,1169 0.923,1170 0.875,1171 1.224,1172 1.203,1173 0.362,1174 1.207,1175 4.078,1177 5.313,1178 2.398,1179 6.711,1180 4.727,1181 8.185,1182 6.783,1183 9.706,1189 28.818,1190 3.668,1192 11.163,1194 -1.494,1199 34.191,1200 78.939,1201 199.056,1202 273.889,1203 311.008,1204 317.763,1205 317.763,1206 87.194,1207 6.746,1208 96.22,1209 96.22,1210 11,1211 11.943,1212 3.322,1213 2.807,1214 62.307,1215 137,1216 147,1217 0.209,1218 213.428,1219 390.44,1220 512.525,1221 8321,1223 20.192,1224 0.721,1225 0.572,1226 20.192,1227 16.022,1228 13.559,1229 0.468,1230 0.337,1231 9.633,1232 13.018,1233 9.488,1234 7.83,1235 13.559,1236 9.767,1237 11.481,1238 0.319,1239 0.193,1240 11.481,1241 6.94,1242 8.471,1243 0.207,1244 0.114,1245 8.471,1246 4.662,1247 6.35,1248 0.135,1249 0.067,1250 6.35,1251 3.136,1252 4.686,1253 0.094,1254 0.04,1255 4.686,1256 1.977,1257 0.345,1258 85.477,1259 0.229,1260 27.999,1261 0.529,1262 130,1263 419.656,1264 145.722,1265 386.366,1266 496.09,1267 360,1268 142,1269 325.212,1270 156.174,1271 322.564,1272 463.96,1273 304,1274 6.599}
{0 CHEMBL364375,1 1.267,2 15.161,3 4.365,4 19.053,5 124.335,6 6.094,7 0.188,8 4.298,9 4.423,10 3.649,11 3.792,12 5.276,13 3.728,14 4.891,15 5.078,16 3.966,17 4.196,18 5.82,19 4.089,20 5.258,21 5.504,22 3.978,23 4.343,24 6.122,25 4.196,26 5.299,27 5.566,28 3.927,29 4.33,30 6.221,31 4.161,32 5.27,33 5.541,34 3.864,35 4.282,36 6.168,37 4.114,38 5.217,39 5.49,40 3.885,41 4.25,42 6.122,43 4.085,44 5.217,45 5.487,46 3.795,47 4.231,48 6.123,49 4.053,50 5.184,51 5.476,52 3.699,53 4.178,54 5.982,55 3.989,56 0.089,57 0.9,58 17.51,59 7.703,60 18.113,61 10.302,62 0.284,63 1.468,64 31.329,65 12.651,66 39.856,67 17.474,68 0.521,69 1.848,70 44.75,71 15.883,72 75.393,73 22.527,74 0.615,75 1.875,76 46.174,77 16.219,78 101.376,79 23.316,80 0.549,81 1.795,82 44.81,83 15.489,84 97.14,85 22.281,86 0.519,87 1.731,88 42.303,89 15.006,90 90.303,91 21.642,92 0.596,93 1.709,94 42.457,95 14.803,96 96.298,97 21.336,98 0.481,99 1.635,100 40.52,101 14.229,102 75.449,103 20.669,104 46,105 41,106 0.202,107 0.483,108 0.715,109 0.853,110 0.879,111 0.884,112 3.47,113 1.105,114 -4.54,115 -4.47,116 -4.2,118 36.6,119 2,120 9,121 2,125 4,129 2,133 5,134 1,145 1,154 17,157 1,158 4,162 6,164 21,167 2,170 6,171 18,175 4,178 1,179 6,180 16,184 2,189 6,192 14,196 2,199 1,200 7,202 15,206 2,209 1,210 6,211 15,215 2,219 5,222 14,226 2,230 5,233 13,236 2102,237 20.449,238 20.449,239 20.449,240 20.449,241 20.449,242 19.284,243 19.702,244 12.642,245 20.691,246 15.804,247 15.804,248 15.804,249 15.804,250 15.804,251 14.118,252 16.042,253 6.063,254 16.206,255 4.883,256 3.121,257 1.67,258 0.803,259 0.641,260 0.613,261 4.137,266 1,267 953,268 4.743,270 109.296,271 124.827,277 2.758,278 39.204,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 67,289 470,290 4.15,291 3.701,292 6.682,293 4.13,294 3.148,295 3.445,296 2.443,297 10.723,298 3.088,299 3.902,300 3.266,301 5.371,302 3.551,303 2.558,304 3.154,305 0.286,306 7.027,307 2.543,308 3.714,309 2.77,310 5.345,311 3.446,312 2.496,313 2.874,315 6.547,316 2.358,317 3.352,318 2.523,319 5.203,320 3.264,321 2.299,322 2.375,324 6.28,325 2.21,326 3.215,327 2.444,328 4.989,329 3.001,330 2.04,331 2.275,333 5.885,334 1.955,335 2.993,336 2.341,337 4.66,338 2.895,339 1.921,340 2.066,342 4.751,343 1.851,344 2.955,345 2.13,346 4.325,347 2.734,348 1.755,349 1.987,351 4.389,352 1.71,353 2.897,354 1.836,355 3.802,356 2.565,357 1.579,358 1.942,360 3.445,361 1.55,362 2.633,363 1.586,364 3.64,365 2.483,366 1.488,367 1.628,369 3.142,370 1.479,371 2.5,372 1.458,373 3.475,374 2.108,375 1.122,376 1.5,378 2.474,379 1.099,380 2.265,381 1.063,382 3.247,383 2,384 1,385 1.204,387 2.136,388 1,389 1.932,390 1,391 3.204,392 1.81,393 0.817,394 0.882,395 1.858,396 0.809,397 1.617,398 0.783,399 2.918,400 1.484,401 0.507,402 0.546,403 1.15,404 0.492,405 1.283,406 0.624,407 2.672,408 1.215,409 0.232,410 0.238,411 0.515,412 0.226,413 0.946,414 0.521,415 2.354,416 0.757,417 -0.204,418 -0.216,419 -0.483,420 -0.193,421 14.667,422 0.473,423 0.723,424 0.023,425 26,426 0.839,427 8.5,428 0.274,429 17.5,430 0.565,431 38.481,432 1.241,433 37.533,434 0.529,435 18.021,436 0.581,437 4.404,438 0.142,439 10.46,440 0.337,441 0.159,443 0.273,447 0.888,448 1.269,449 1.048,450 1.258,451 0.893,452 1.187,453 0.758,454 1.326,455 1.069,456 1.32,457 0.704,458 1.252,459 1.212,460 1.057,461 1.114,462 1.056,463 1.096,464 1.069,465 1.01,466 1.015,467 1.027,468 1.017,469 1.065,470 1.024,471 1.153,472 0.96,473 1.037,474 0.96,475 1.269,476 0.978,477 0.862,478 1.006,479 0.924,480 1.002,481 0.876,482 0.976,483 1.029,484 0.999,485 1.048,486 1.004,487 1.049,488 1.026,489 0.968,490 0.882,491 0.947,492 0.886,493 0.988,494 0.91,495 6,496 0.204,497 2.889,498 2.201,499 1.041,500 0.837,501 0.535,502 0.309,503 0.286,504 0.274,505 14255,506 32754,507 1.942,508 56.3,509 10,510 11,513 3,514 2,515 12,516 2,517 1.733,518 1.806,519 3.832,520 0.78,525 89.934,526 1.267,527 3.029,528 4.479,529 5.347,530 5.509,531 5.537,532 3.361,533 4.374,534 4.919,535 4.084,536 1899.19,537 8.575,538 30279.8,542 436.632,543 1.438,544 4.874,545 0.188,546 0.006,547 0.07,548 0.056,549 0.029,550 0.025,551 0.015,552 0.01,553 0.01,554 0.009,555 0.418,556 0.17,557 0.88,558 2.057,559 167.532,560 -0.066,561 0.052,562 -0.001,563 0.051,564 -0.102,565 0.037,566 0.068,567 -0.147,568 -0.06,569 -0.146,570 0.029,571 -0.126,572 -0.118,573 -0.039,574 -0.102,575 -0.044,576 -0.114,577 -0.067,578 -0.012,579 -0.034,580 -0.041,581 -0.036,582 0.004,583 -0.042,584 -0.097,585 0.006,586 -0.045,587 0.004,588 -0.088,589 -0.011,590 0.049,591 -0.029,592 0.047,593 -0.022,594 0.061,595 0.008,596 -0.02,597 -0.029,598 -0.062,599 -0.034,600 -0.008,601 -0.052,602 -0.062,603 0.061,604 0.013,605 0.061,606 -0.071,607 0.05,608 1.847,609 4.544,610 0.355,611 44.098,612 0.99,613 1.132,614 3.311,615 10.961,616 0.613,617 3.497,618 3.738,619 3.871,620 4.043,621 4.078,622 3.989,623 3.989,624 4.007,625 4.06,626 4.094,627 8.926,628 0.565,629 432.66,630 3.497,631 4.99,632 5.778,633 6.608,634 7.416,635 8.255,636 9.076,637 9.92,638 10.752,639 11.601,651 5,656 1,658 6,670 71,671 8,672 1,673 32,675 72,676 26,677 6,678 1,679 5,681 2,682 2,685 2,688 3,689 2,691 13,693 9,694 17,695 2,696 2,698 1,699 2,701 1,707 40,708 5,709 3,710 5,717 1,718 5,719 3,730 1,731 1,740 1,741 2,746 3,748 2,752 2,756 31,759 3,760 9,762 1,764 6,773 7,774 3,776 1,778 1,779 17.167,780 12.267,781 7.083,782 4.644,785 1.275,786 1.184,787 0.842,788 11.457,789 8.216,790 3.638,791 3.998,792 4.259,793 4.581,794 4.836,795 4.626,796 4.685,797 4.776,798 4.907,799 4.947,800 1,801 39,802 11.654,803 4.864,804 7.801,805 22.595,806 18.629,807 2.301,808 71.333,812 435.531,813 117.172,816 164.195,819 117.172,820 599.726,822 17.65,823 22.811,824 194.384,825 32.336,826 14.185,828 435.531,830 435.531,831 117.172,832 164.195,835 270.735,836 200.94,837 128.05,839 40.461,840 57.758,841 18.952,843 435.531,844 164.195,845 117.172,848 435.531,849 33.188,850 83.984,852 164.195,853 435.531,854 164.195,855 117.172,857 0.562,858 0.301,859 0.158,860 0.078,861 14,862 8,863 0.194,864 14,866 1,867 4.387,868 237.487,870 11,871 145.58,874 25.739,875 13.799,876 9.655,878 164.195,879 10.141,884 1.221,886 128.05,887 716.897,888 37,890 11.544,891 4.102,893 -0.163,895 70.309,896 80.351,897 0.206,898 0.493,899 0.728,900 0.869,901 0.896,902 0.9,903 4.856,904 1.579,905 5.727,906 4.389,907 4.419,908 4.682,909 2.402,910 6.435,911 4.369,912 5.962,913 1.488,914 7.225,915 3.445,916 3.892,917 4.135,918 2.243,919 7.182,920 3.783,921 7.186,922 1.122,923 8.826,924 3.142,925 5.905,926 6.457,927 3.841,928 10.253,929 5.81,930 8.435,931 1,932 10.491,933 2.474,934 6.196,935 6.637,936 4.269,937 11.943,938 6.049,939 9.714,940 0.817,941 12.202,942 2.136,943 7.683,944 8.514,945 5.486,946 14.543,947 7.547,948 11.015,949 0.507,950 13.948,951 1.858,952 8.392,953 9.047,954 6.158,955 16.65,956 8.215,957 12.334,958 0.232,959 15.721,960 1.15,961 9.656,962 10.726,963 7.208,964 19.097,965 9.484,966 3.148,967 -0.204,968 17.518,969 0.515,970 10.583,971 11.456,972 7.992,973 21.371,974 10.38,975 2.558,976 10.723,977 19.334,978 -0.483,979 11.758,980 13.023,981 8.963,982 23.768,983 11.551,984 2.496,985 7.027,986 21.165,987 3.445,988 12.794,989 13.875,990 9.802,991 26.105,992 12.563,993 2.299,994 6.547,995 23.009,996 3.154,997 13.938,998 15.368,999 10.734,1000 28.485,1001 13.697,1002 2.04,1003 6.28,1004 24.864,1005 2.874,1006 15.028,1007 16.306,1008 11.599,1009 30.844,1010 14.766,1011 1.921,1012 5.885,1013 26.728,1014 2.375,1015 16.164,1016 17.744,1017 12.512,1018 33.22,1019 15.888,1020 1.755,1021 4.751,1022 28.599,1023 2.275,1024 17.28,1025 18.745,1026 13.391,1027 35.587,1028 16.984,1029 14370,1030 21825,1031 20.572,1032 43.5,1033 46.441,1034 47.259,1035 47.312,1036 46.072,1037 45.92,1038 52.233,1039 5.458,1040 120.646,1041 44.738,1042 5.126,1043 5.701,1044 6.504,1045 5.14,1046 5.148,1047 6.445,1048 4.174,1049 17.488,1050 5.088,1051 18.791,1052 1.451,1053 1.477,1054 1.478,1055 1.44,1056 1.435,1057 1.632,1058 0.171,1059 3.77,1060 1.398,1061 3.989,1062 4.028,1063 3.886,1064 3.897,1065 7.432,1066 3.889,1067 3.908,1068 3.942,1069 3.822,1070 3.836,1071 6.465,1072 3.828,1073 3.767,1074 3.807,1075 3.653,1076 3.624,1077 6.448,1078 3.618,1079 3.651,1080 3.7,1081 3.516,1082 3.503,1083 6.433,1084 3.498,1085 3.606,1086 3.661,1087 3.462,1088 3.443,1089 4.751,1090 3.439,1091 3.425,1092 3.482,1093 3.263,1094 3.278,1095 4.511,1096 3.265,1097 3.277,1098 3.35,1099 3.092,1100 3.13,1101 4.402,1102 3.11,1103 3.121,1104 3.173,1105 2.958,1106 2.902,1107 4.082,1108 2.904,1109 0.13,1110 0.116,1111 0.209,1112 0.129,1113 0.098,1114 4.15,1115 0.108,1116 3.701,1117 0.076,1118 6.682,1119 0.335,1120 4.13,1121 0.096,1122 3.148,1123 3.445,1124 2.443,1125 10.723,1126 3.088,1127 1.929,1128 1.898,1129 2.076,1130 2.022,1131 1.437,1132 2.042,1133 1.831,1134 1.788,1135 2.022,1136 1.961,1137 1.298,1138 1.982,1139 1.734,1140 1.687,1141 1.951,1142 1.904,1143 1.24,1144 1.918,1145 1.636,1146 1.59,1147 1.889,1148 1.837,1149 1.17,1150 1.853,1151 1.569,1152 1.51,1153 1.827,1154 1.764,1155 1.052,1156 1.787,1157 1.534,1158 1.484,1159 1.768,1160 1.725,1161 1.032,1162 1.74,1163 1.362,1164 1.308,1165 1.623,1166 1.554,1167 0.852,1168 1.576,1169 1.19,1170 1.126,1171 1.479,1172 1.406,1173 0.718,1174 1.434,1175 4.174,1177 5.434,1178 2.398,1179 6.853,1180 4.844,1181 8.352,1182 6.986,1183 9.898,1185 3.69,1189 31.182,1190 5.97,1192 5.122,1194 -1.475,1199 40.11,1200 89.934,1201 215.045,1202 318.029,1203 379.612,1204 391.122,1205 393.122,1206 121.936,1207 6.941,1208 86.99,1209 86.99,1210 11,1211 12.164,1212 3.17,1213 2.585,1214 73.384,1215 160,1216 168,1217 0.21,1218 250.729,1219 453.49,1220 603.538,1221 10572,1223 22.64,1224 0.73,1225 0.614,1226 22.64,1227 19.028,1228 14.863,1229 0.464,1230 0.368,1231 11.694,1232 14.444,1233 11.387,1234 9.452,1235 14.863,1236 11.79,1237 13.008,1238 0.317,1239 0.222,1240 13.008,1241 9.092,1242 9.399,1243 0.2,1244 0.131,1245 9.399,1246 6.157,1247 7.544,1248 0.135,1249 0.08,1250 7.544,1251 4.47,1252 5.175,1253 0.089,1254 0.05,1255 5.175,1256 2.889,1257 0.346,1258 92.304,1259 0.22,1260 30.349,1261 0.534,1262 146,1263 381.92,1264 158.843,1265 358.89,1266 464.79,1267 334,1268 161,1269 309.818,1270 171.299,1271 309.662,1272 443.36,1273 293,1274 7.463}
{0 CHEMBL36817,1 1.256,2 12.64,3 3.712,4 13.783,5 98.39,6 5.692,8 4.169,9 4.303,10 3.433,11 3.608,12 5.108,13 3.535,14 4.789,15 4.994,16 3.734,17 4.038,18 5.702,19 3.904,20 5.191,21 5.467,22 3.761,23 4.198,24 5.988,25 4.02,26 5.231,27 5.519,28 3.72,29 4.194,30 6.069,31 4,32 5.214,33 5.509,34 3.673,35 4.153,36 5.993,37 3.959,38 5.166,39 5.453,40 3.711,41 4.106,42 6.049,43 3.929,44 5.134,45 5.414,46 3.597,47 4.062,48 6.046,49 3.876,50 5.077,51 5.378,52 3.485,53 3.996,54 5.854,55 3.793,56 0.098,57 0.785,58 16.104,59 6.717,60 16.943,61 9.262,62 0.259,63 1.269,64 28.433,65 10.994,66 46.417,67 15.759,68 0.459,69 1.552,70 40.183,71 13.444,72 71.41,73 20.129,74 0.605,75 1.561,76 41.442,77 13.575,78 92.549,79 20.478,80 0.517,81 1.502,82 40.387,83 13.037,84 77.991,85 19.77,86 0.587,87 1.428,88 39.049,89 12.339,90 92.314,91 18.705,92 0.655,93 1.367,94 38.057,95 11.792,96 100.371,97 17.871,98 0.473,99 1.285,100 34.999,101 11.167,102 71.217,103 17.003,104 65,105 31,106 0.209,107 0.373,108 0.592,109 0.793,110 0.888,111 0.899,112 3.265,113 1.225,114 -3.64,115 -3.61,116 -3.44,118 31.7,119 1,120 13,121 2,125 3,145 1,150 1,153 1,154 13,155 1,158 1,160 1,162 7,164 14,165 1,167 1,170 7,171 13,172 1,175 1,178 1,179 7,180 12,181 1,184 1,189 6,192 10,193 1,196 1,199 1,200 7,202 11,203 1,206 1,209 1,210 6,211 10,212 1,215 1,219 6,222 9,223 1,226 1,230 5,231 1,233 7,234 2,236 1176,237 16.441,238 16.441,239 16.441,240 16.441,241 16.441,242 16.234,243 9.612,244 10.401,245 16.553,246 12.304,247 12.304,248 12.304,249 12.304,250 12.304,251 11.983,252 6.544,253 4.94,254 12.525,255 4.722,256 3.738,257 2.423,258 1.218,259 0.647,260 0.583,261 3.91,265 1,266 1,267 612,268 4.472,270 87.064,277 2.266,278 37.734,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 55,289 316,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.148,296 2.341,297 10.723,298 3.088,299 3.55,300 3.258,301 5.354,302 3.336,303 2.374,304 2.71,306 6.314,307 2.275,308 3.374,309 2.606,310 5.027,311 3.241,312 2.236,313 2.374,315 5.958,316 2.223,317 3.044,318 2.312,319 4.663,320 3.002,321 2.041,322 2.044,324 5.184,325 1.956,326 2.795,327 1.913,328 4.657,329 2.761,330 1.78,331 1.793,333 4.755,334 1.74,335 2.641,336 1.736,337 3.799,338 2.618,339 1.628,340 1.638,342 3.45,343 1.607,344 2.565,345 1.623,346 3.621,347 2.539,348 1.555,349 1.564,351 3.08,352 1.523,353 2.16,354 1.322,355 3.417,356 2.108,357 1.123,358 1.143,360 2.418,361 1.099,362 1.852,363 0.977,364 3.112,365 1.832,366 0.836,367 0.842,369 1.735,370 0.831,371 1.604,372 0.749,373 2.74,374 1.563,375 0.588,376 0.592,378 1.076,379 0.569,380 1.293,381 0.601,382 2.505,383 1.241,384 0.249,385 0.253,387 0.52,388 0.245,389 0.842,390 0.307,391 2.335,392 0.779,393 -0.203,394 -0.206,395 -0.432,396 -0.197,397 0.598,398 0.01,399 2.121,400 0.551,401 -0.418,402 -0.419,403 -0.725,404 -0.4,405 0.482,406 -0.072,407 1.85,408 0.332,409 -0.562,410 -0.563,411 -1.303,412 -0.491,413 0.432,414 -0.26,415 1.739,416 0.247,417 -0.724,418 -0.732,419 -1.625,420 -0.693,421 11.667,422 0.467,423 0.548,424 0.022,425 15.25,426 0.61,427 1.5,428 0.06,429 13.75,430 0.55,431 34.487,432 1.379,433 32.733,434 0.52,435 8.181,436 0.327,437 1.732,438 0.069,439 10.22,440 0.409,441 0.186,443 0.257,447 0.93,448 1.406,449 1.159,450 1.4,451 0.908,452 1.328,453 0.6,454 1.482,455 1.113,456 1.484,457 0.569,458 1.398,459 0.916,460 1.092,461 1.016,462 1.092,463 0.903,464 1.073,465 0.862,466 1.022,467 0.988,468 1.027,469 0.825,470 1.029,471 0.933,472 0.966,473 0.957,474 0.967,475 0.903,476 0.966,477 0.932,478 0.983,479 0.937,480 0.979,481 0.898,482 0.961,483 1.127,484 0.982,485 1.084,486 0.989,487 1.074,488 1.025,489 0.955,490 0.928,491 0.959,492 0.931,493 0.926,494 0.944,495 4.5,496 0.159,497 2.444,498 1.889,499 0.81,500 0.691,501 0.493,502 0.269,503 0.211,504 0.225,505 6876,506 16161,507 1.867,508 60.3,509 21,510 3,513 4,514 2,515 6,516 2,517 1.678,518 1.724,519 3.582,520 1.697,522 1,525 79.099,526 1.256,527 2.239,528 3.554,529 4.759,530 5.33,531 5.394,532 3.079,533 3.974,534 4.603,535 3.794,536 1138.29,537 7.96,538 15027.6,540 1,542 376.569,543 1.479,544 4.553,545 0.18,546 0.008,547 0.079,548 0.063,549 0.029,550 0.026,551 0.018,552 0.011,553 0.01,554 0.01,555 0.433,556 0.17,557 0.88,558 2.72,559 124.735,560 -0.097,561 0.093,562 -0.035,563 0.086,564 -0.091,565 0.042,566 0.076,567 -0.185,568 -0.094,569 -0.188,570 0.095,571 -0.173,572 -0.055,573 -0.055,574 -0.042,575 -0.053,576 -0.06,577 -0.046,578 0.003,579 -0.027,580 -0.028,581 -0.029,582 0.005,583 -0.033,584 -0.055,585 0.003,586 -0.002,587 0.006,588 -0.059,589 0.01,590 0.017,591 -0.008,592 0.036,593 -0.003,594 0.015,595 0.018,596 -0.055,597 -0.011,598 -0.085,599 -0.019,600 -0.043,601 -0.054,602 -0.064,603 0.021,604 -0.008,605 0.022,606 -0.066,607 0.017,608 2.41,609 4.252,610 0.2,611 30.688,612 0.991,613 1.142,614 2.411,615 5.815,616 0.583,617 3.258,618 3.466,619 3.584,620 3.738,621 3.761,622 3.738,623 3.714,624 3.714,625 3.714,626 3.689,627 7.348,628 0.533,629 358.58,630 3.258,631 4.727,632 5.501,633 6.323,634 7.13,635 7.968,636 8.796,637 9.646,638 10.489,639 11.347,670 63,671 1,673 25,675 63,676 20,681 1,682 1,685 1,688 3,689 2,691 16,693 1,694 19,695 2,696 1,698 1,701 1,704 1,707 38,708 5,709 4,710 5,717 1,718 5,719 3,730 1,739 1,746 4,748 1,752 1,756 25,759 4,760 13,764 5,773 7.9,774 3,775 1,776 1,779 14.5,780 10.383,781 5.917,782 4.5,785 0.07,786 1.011,787 0.798,788 11.556,789 6.351,790 3.296,791 3.526,792 3.611,793 3.761,794 3.784,795 3.761,796 3.738,797 3.738,798 3.761,799 3.784,800 0.889,801 30,802 9.44,803 3.921,804 7.933,805 18.437,806 15.372,807 2.433,808 60.833,811 1,812 400.217,813 42.684,816 195.878,819 42.684,820 596.096,822 8.825,823 32.949,824 128.05,825 68.738,828 400.217,830 400.217,831 42.684,832 195.878,835 306.049,836 161.997,837 128.05,839 41.774,840 0.91,843 400.217,844 195.878,845 42.684,848 400.217,849 33.859,850 8.825,852 195.878,853 400.217,854 195.878,855 42.684,857 0.549,858 0.29,859 0.146,860 0.075,861 9,862 6,863 0.222,864 14,866 1,867 3.751,868 170.895,870 5,871 116.096,874 22.56,875 12.805,876 9.14,878 195.878,886 170.733,887 638.78,888 26,890 10.492,893 -0.744,895 62.425,896 71.936,897 0.21,898 0.375,899 0.595,900 0.796,901 0.892,902 0.902,903 4.511,904 1.123,905 5.442,906 3.08,907 4.143,908 4.205,909 2.258,910 6.151,911 4.103,912 5.565,913 0.836,914 6.942,915 2.418,916 3.611,917 3.761,918 2.243,919 6.952,920 3.501,921 6.77,922 0.588,923 8.554,924 1.735,925 5.617,926 5.74,927 3.628,928 10.044,929 5.54,930 8,931 0.249,932 10.237,933 1.076,934 5.943,935 6.133,936 4.112,937 11.812,938 5.803,939 9.272,940 -0.203,941 11.97,942 0.52,943 7.418,944 7.582,945 5.201,946 14.431,947 7.3,948 10.569,949 -0.418,950 13.74,951 -0.432,952 8.181,953 8.373,954 5.889,955 16.585,956 8.016,957 11.889,958 -0.562,959 15.539,960 -0.725,961 9.442,962 9.616,963 6.849,964 19.047,965 9.284,966 3.148,967 -0.724,968 17.361,969 -1.303,970 10.419,971 10.592,972 7.625,973 21.342,974 10.227,975 2.374,976 10.723,977 19.2,978 -1.625,979 11.6,980 11.758,981 8.526,982 23.747,983 11.403,984 2.236,985 6.314,986 21.053,987 3.148,988 12.673,989 12.819,990 9.342,991 26.092,992 12.45,993 2.041,994 5.958,995 22.916,996 2.71,997 13.827,998 13.959,999 10.216,1000 28.477,1001 13.592,1002 1.78,1003 5.184,1004 24.787,1005 2.374,1006 14.941,1007 15.06,1008 11.051,1009 30.839,1010 14.684,1011 1.628,1012 4.755,1013 26.665,1014 2.044,1015 16.088,1016 16.194,1017 11.912,1018 33.216,1019 15.815,1020 1.555,1021 3.45,1022 28.548,1023 1.793,1024 17.22,1025 17.313,1026 12.755,1027 35.585,1028 16.927,1029 7346,1030 11347,1031 15.603,1032 36.739,1033 35.172,1034 35.741,1035 36.595,1036 35.271,1037 35.115,1038 36.204,1039 4.682,1040 90.425,1041 34.315,1042 5.127,1043 5.573,1044 6.593,1045 5.111,1046 5.128,1047 5.148,1048 3.925,1049 17.488,1050 5.069,1051 16.292,1052 1.407,1053 1.43,1054 1.464,1055 1.411,1056 1.405,1057 1.448,1058 0.187,1059 3.617,1060 1.373,1061 3.977,1062 4.019,1063 3.864,1064 3.869,1065 7.474,1066 3.861,1067 3.765,1068 3.824,1069 3.613,1070 3.636,1071 6.465,1072 3.62,1073 3.744,1074 3.796,1075 3.604,1076 3.606,1077 6.448,1078 3.594,1079 3.553,1080 3.617,1081 3.386,1082 3.398,1083 6.433,1084 3.383,1085 3.496,1086 3.543,1087 3.346,1088 3.312,1089 6.351,1090 3.31,1091 3.248,1092 3.334,1093 3.038,1094 3.074,1095 4.223,1096 3.049,1097 3.193,1098 3.243,1099 3.015,1100 2.963,1101 4.161,1102 2.968,1103 3.003,1104 3.068,1105 2.808,1106 2.746,1107 4.038,1108 2.738,1109 0.166,1110 0.144,1111 0.267,1112 0.165,1113 0.126,1114 4.148,1115 0.126,1116 3.596,1117 0.094,1118 6.682,1119 0.429,1120 4.13,1121 0.124,1122 3.148,1123 3.148,1124 2.341,1125 10.723,1126 3.088,1127 1.846,1128 1.797,1129 2.064,1130 1.992,1131 1.472,1132 2.018,1133 1.78,1134 1.723,1135 2.026,1136 1.944,1137 1.379,1138 1.974,1139 1.692,1140 1.636,1141 1.938,1142 1.86,1143 1.299,1144 1.888,1145 1.602,1146 1.553,1147 1.842,1148 1.798,1149 1.189,1150 1.811,1151 1.494,1152 1.436,1153 1.76,1154 1.707,1155 1.069,1156 1.725,1157 1.388,1158 1.334,1159 1.669,1160 1.615,1161 0.965,1162 1.628,1163 1.199,1164 1.119,1165 1.53,1166 1.442,1167 0.801,1168 1.475,1169 1.025,1170 0.963,1171 1.358,1172 1.325,1173 0.594,1174 1.329,1175 3.932,1177 5.165,1178 2.398,1179 6.558,1180 4.844,1181 8.04,1182 6.986,1183 9.583,1185 2.148,1189 39.228,1190 10.732,1194 -1.022,1199 33.583,1200 79.099,1201 141.066,1202 223.9,1203 299.84,1204 335.814,1205 339.814,1206 130.157,1207 6.28,1208 97.99,1209 97.99,1210 5,1211 11.903,1212 1,1213 1,1214 71.876,1215 104,1216 122,1217 0.324,1218 212.278,1219 383.51,1220 509.718,1221 3962,1223 18.656,1224 0.746,1225 0.631,1226 18.656,1227 15.776,1228 11.952,1229 0.478,1230 0.408,1231 10.131,1232 11.597,1233 9.937,1234 8.279,1235 11.952,1236 10.212,1237 10.082,1238 0.325,1239 0.251,1240 10.082,1241 7.772,1242 7.118,1243 0.203,1244 0.162,1245 7.118,1246 5.674,1247 5.427,1248 0.132,1249 0.101,1250 5.427,1251 4.15,1252 3.718,1253 0.089,1254 0.065,1255 3.718,1256 2.742,1257 0.523,1258 74.596,1259 0.253,1260 25.142,1261 0.844,1262 112,1263 294.334,1264 122.739,1265 272.731,1266 338.38,1267 250,1268 122,1269 211.485,1270 130.306,1271 209.499,1272 299.34,1273 198,1274 6.369}
{0 CHEMBL36901,1 1.264,2 14.433,3 4.775,4 22.798,5 118.926,6 6.009,7 0.194,8 4.284,9 4.411,10 3.615,11 3.777,12 5.259,13 3.709,14 4.883,15 5.075,16 3.935,17 4.206,18 5.828,19 4.087,20 5.271,21 5.527,22 3.969,23 4.372,24 6.106,25 4.211,26 5.335,27 5.608,28 3.906,29 4.374,30 6.188,31 4.187,32 5.33,33 5.616,34 3.868,35 4.334,36 6.121,37 4.146,38 5.286,39 5.563,40 3.883,41 4.282,42 6.175,43 4.108,44 5.264,45 5.543,46 3.805,47 4.236,48 6.163,49 4.057,50 5.202,51 5.488,52 3.717,53 4.179,54 6.034,55 3.996,56 0.102,57 0.893,58 17.441,59 7.653,60 18.848,61 10.283,62 0.263,63 1.481,64 30.992,65 12.832,66 49.106,67 17.832,68 0.45,69 1.889,70 44.665,71 16.369,72 75.831,73 23.465,74 0.603,75 1.941,76 47.242,77 16.904,78 98.544,79 24.512,80 0.499,81 1.89,82 46.604,83 16.459,84 83.219,85 24.019,86 0.598,87 1.793,88 45.168,89 15.519,90 99.167,91 22.591,92 0.651,93 1.722,94 44.259,95 14.887,96 105.491,97 21.705,98 0.528,99 1.622,100 41.314,101 14.04,102 85.746,103 20.482,104 47,105 40,106 0.203,107 0.455,108 0.676,109 0.844,110 0.891,111 0.904,112 3.439,113 1.136,114 -4.42,115 -4.35,116 -4.1,118 35.7,119 1,120 12,121 2,125 3,133 4,134 2,145 1,150 1,153 1,154 19,155 1,158 1,160 1,162 7,164 23,165 1,167 1,170 7,171 22,172 1,175 1,178 1,179 7,180 18,181 1,184 1,189 7,192 15,193 1,196 1,199 1,200 8,202 14,203 1,206 1,209 1,210 8,211 14,212 1,215 1,219 7,222 14,223 1,226 1,230 6,231 1,233 13,234 2,236 1848,237 19.905,238 19.905,239 19.905,240 19.905,241 19.905,242 18.974,243 16.888,244 12.155,245 20.017,246 15.232,247 15.232,248 15.232,249 15.232,250 15.232,251 13.79,252 12.263,253 5.733,254 15.453,255 4.865,256 3.297,257 1.919,258 0.872,259 0.582,260 0.496,261 4.105,265 1,266 1,267 877,268 4.472,270 103.621,271 118.711,277 2.529,278 40.28,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 65,289 433,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.669,296 2.341,297 10.723,298 3.088,299 4.068,300 3.258,301 5.592,302 3.696,303 2.697,304 3.148,306 7.701,307 2.694,308 3.55,309 2.893,310 5.354,311 3.329,312 2.364,313 2.71,315 6.335,316 2.278,317 3.439,318 2.606,319 5.072,320 3.241,321 2.236,322 2.634,324 6.063,325 2.223,326 3.266,327 2.339,328 4.892,329 3.048,330 2.066,331 2.321,333 5.642,334 2.032,335 3.037,336 2.297,337 4.662,338 2.975,339 2.004,340 2.039,342 5.184,343 1.933,344 2.79,345 1.911,346 4.656,347 2.751,348 1.772,349 1.793,351 4.748,352 1.727,353 2.687,354 1.73,355 3.796,356 2.567,357 1.585,358 1.765,360 3.446,361 1.548,362 2.606,363 1.333,364 3.52,365 2.242,366 1.243,367 1.603,369 2.681,370 1.241,371 2.168,372 1.297,373 3.469,374 2.108,375 1.123,376 1.15,378 2.458,379 1.1,380 1.879,381 0.977,382 3.214,383 1.812,384 0.818,385 0.85,387 1.86,388 0.811,389 1.592,390 0.706,391 2.947,392 1.492,393 0.513,394 0.542,395 1.163,396 0.498,397 1.581,398 0.59,399 2.689,400 1.422,401 0.423,402 0.475,403 0.622,404 0.422,405 1.282,406 0.493,407 2.607,408 1.207,409 0.22,410 0.227,411 0.481,412 0.216,413 0.841,414 0.306,415 2.362,416 0.743,417 -0.231,418 -0.235,419 -0.535,420 -0.221,421 14.167,422 0.472,423 0.685,424 0.023,425 24.25,426 0.808,427 7.5,428 0.25,429 16.75,430 0.558,431 38.703,432 1.29,433 36.833,434 0.526,435 15.73,436 0.524,437 3.696,438 0.123,439 10.705,440 0.357,441 0.153,443 0.282,447 0.916,448 1.24,449 1.08,450 1.235,451 0.902,452 1.189,453 0.608,454 1.339,455 1.068,456 1.341,457 0.584,458 1.284,459 0.946,460 1.084,461 1.047,462 1.086,463 0.939,464 1.083,465 0.871,466 1.042,467 1.032,468 1.051,469 0.842,470 1.064,471 0.881,472 0.982,473 0.954,474 0.984,475 0.849,476 0.98,477 0.953,478 1.004,479 0.972,480 1.002,481 0.925,482 0.992,483 1.074,484 0.953,485 1.016,486 0.955,487 1.026,488 0.974,489 1.1,490 0.905,491 1,492 0.908,493 1.056,494 0.935,495 6,496 0.234,497 2.889,498 2.139,499 1.192,500 0.844,501 0.576,502 0.34,503 0.262,504 0.274,505 12524,506 29494,507 1.94,508 57.1,509 19,510 7,513 4,514 2,515 6,516 2,517 1.725,518 1.8,519 3.763,520 1.531,525 88.467,526 1.264,527 2.832,528 4.21,529 5.258,530 5.547,531 5.633,532 3.261,533 4.774,534 4.872,535 3.997,536 1738.62,537 8.486,538 26553.5,542 429.05,543 1.457,544 4.825,545 0.194,546 0.007,547 0.072,548 0.055,549 0.034,550 0.025,551 0.017,552 0.011,553 0.009,554 0.009,555 0.433,557 0.88,558 1.87,559 159.489,560 -0.094,561 0.113,562 -0.018,563 0.106,564 -0.095,565 0.062,566 0.074,567 -0.125,568 -0.072,569 -0.129,570 0.088,571 -0.124,572 -0.067,573 -0.048,574 -0.067,575 -0.049,576 -0.075,577 -0.057,578 -0.005,579 -0.047,580 -0.067,581 -0.052,582 -0.008,583 -0.067,584 -0.036,585 -0.016,586 0.001,587 -0.012,588 -0.037,589 -0.002,590 0.016,591 -0.036,592 0.005,593 -0.033,594 0.005,595 -0.017,596 -0.023,597 -0.001,598 -0.029,599 -0.004,600 -0.019,601 -0.016,602 -0.09,603 0.041,604 -0.022,605 0.039,606 -0.086,607 0.022,608 2.416,609 4.462,610 0.367,611 39.547,612 0.99,613 1.134,614 3.192,615 10.191,616 0.607,617 3.466,618 3.714,619 3.871,620 4.043,621 4.127,622 4.06,623 4.06,624 4.043,625 4.094,626 4.127,627 8.428,628 0.559,629 420.65,630 3.466,631 4.963,632 5.759,633 6.594,634 7.414,635 8.258,636 9.09,637 9.939,638 10.781,639 11.635,651 4,656 2,658 6,670 70,671 7,672 1,673 31,675 71,676 25,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,691 15,693 7,694 18,695 2,696 1,698 1,701 1,707 40,708 5,709 4,710 5,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,752 1,756 30,759 4,760 12,764 5,773 7.1,774 3,775 1,776 1,779 16.667,780 11.717,781 6.917,782 4.806,785 1.001,786 1.144,787 0.834,788 11.016,789 7.941,790 3.584,791 3.961,792 4.252,793 4.596,794 4.908,795 4.779,796 4.774,797 4.687,798 4.828,799 4.842,800 0.9,801 39,802 11.292,803 4.76,804 7.856,805 21.998,806 18.495,807 2.356,808 70.667,812 423.76,813 84.426,816 195.878,819 84.426,820 619.638,822 8.825,823 30.414,824 165.955,825 68.738,826 6.371,828 423.76,830 423.76,831 84.426,832 195.878,835 329.591,836 161.997,837 128.05,839 39.24,840 45.186,843 423.76,844 195.878,845 84.426,848 423.76,849 37.695,850 46.73,852 195.878,853 423.76,854 195.878,855 84.426,857 0.562,858 0.309,859 0.157,860 0.083,861 14,862 8,863 0.197,864 14,866 1,867 4.246,868 230.519,870 11,871 147.207,874 25.005,875 13.217,876 8.797,878 195.878,879 8.508,884 2.571,886 170.733,887 704.064,888 35,890 10.565,893 -0.749,895 69.309,896 79.351,897 0.206,898 0.462,899 0.687,900 0.858,901 0.905,902 0.919,903 4.808,904 1.585,905 5.714,906 4.748,907 4.394,908 4.644,909 2.258,910 6.438,911 4.363,912 5.917,913 1.243,914 7.223,915 3.446,916 3.892,917 4.248,918 2.243,919 7.222,920 3.81,921 7.156,922 1.123,923 8.834,924 2.681,925 5.9,926 6.479,927 3.628,928 10.283,929 5.843,930 8.421,931 0.818,932 10.508,933 2.458,934 6.217,935 6.851,936 4.112,937 11.982,938 6.112,939 9.719,940 0.513,941 12.225,942 1.86,943 7.693,944 8.629,945 5.201,946 14.577,947 7.605,948 11.038,949 0.423,950 13.975,951 1.163,952 8.42,953 9.362,954 5.889,955 16.681,956 8.293,957 12.375,958 0.22,959 15.751,960 0.622,961 9.679,962 10.955,963 6.849,964 19.124,965 9.556,966 3.148,967 -0.231,968 17.548,969 0.481,970 10.616,971 11.885,972 7.625,973 21.392,974 10.461,975 2.697,976 10.723,977 19.363,978 -0.535,979 11.788,980 13.381,981 8.526,982 23.786,983 11.627,984 2.364,985 7.701,986 21.194,987 3.669,988 12.829,989 14.43,990 9.342,991 26.118,992 12.641,993 2.236,994 6.335,995 23.037,996 3.148,997 13.971,998 15.865,999 10.216,1000 28.496,1001 13.77,1002 2.066,1003 6.063,1004 24.89,1005 2.71,1006 15.062,1007 16.992,1008 11.051,1009 30.853,1010 14.837,1011 2.004,1012 5.642,1013 26.752,1014 2.634,1015 16.196,1016 18.386,1017 11.912,1018 33.226,1019 15.954,1020 1.772,1021 5.184,1022 28.621,1023 2.321,1024 17.311,1025 19.567,1026 12.755,1027 35.592,1028 17.047,1029 12696,1030 19548,1031 19.879,1032 42.5,1033 44.571,1034 45.039,1035 46.045,1036 44.582,1037 44.424,1038 49.851,1039 4.682,1040 118.211,1041 43.625,1042 5.127,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.669,1048 3.925,1049 17.488,1050 5.088,1051 18.404,1052 1.438,1053 1.453,1054 1.485,1055 1.438,1056 1.433,1057 1.608,1058 0.151,1059 3.813,1060 1.407,1061 3.999,1062 4.037,1063 3.904,1064 3.92,1065 7.474,1066 3.911,1067 3.93,1068 3.964,1069 3.839,1070 3.847,1071 6.465,1072 3.839,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 6.448,1078 3.6,1079 3.655,1080 3.705,1081 3.517,1082 3.514,1083 6.433,1084 3.505,1085 3.504,1086 3.55,1087 3.366,1088 3.324,1089 6.351,1090 3.321,1091 3.409,1092 3.484,1093 3.219,1094 3.263,1095 4.73,1096 3.243,1097 3.245,1098 3.322,1099 3.05,1100 3.09,1101 4.207,1102 3.068,1103 3.193,1104 3.243,1105 3.022,1106 2.963,1107 4.054,1108 2.969,1109 0.134,1110 0.116,1111 0.216,1112 0.133,1113 0.102,1114 4.148,1115 0.118,1116 3.596,1117 0.076,1118 6.682,1119 0.346,1120 4.13,1121 0.1,1122 3.148,1123 3.669,1124 2.341,1125 10.723,1126 3.088,1127 1.956,1128 1.928,1129 2.095,1130 2.041,1131 1.47,1132 2.061,1133 1.836,1134 1.788,1135 2.052,1136 1.977,1137 1.363,1138 2.004,1139 1.739,1140 1.687,1141 1.968,1142 1.904,1143 1.283,1144 1.926,1145 1.621,1146 1.573,1147 1.857,1148 1.808,1149 1.194,1150 1.822,1151 1.554,1152 1.504,1153 1.801,1154 1.749,1155 1.118,1156 1.765,1157 1.435,1158 1.372,1159 1.72,1160 1.644,1161 0.995,1162 1.67,1163 1.377,1164 1.317,1165 1.651,1166 1.591,1167 0.882,1168 1.611,1169 1.19,1170 1.121,1171 1.499,1172 1.416,1173 0.74,1174 1.446,1175 4.143,1177 5.407,1178 2.398,1179 6.838,1180 4.844,1181 8.352,1182 6.986,1183 9.916,1185 2.141,1189 39.927,1190 8.95,1194 -1.245,1199 39.11,1200 88.467,1201 198.256,1202 294.707,1203 368.03,1204 388.295,1205 394.295,1206 120.004,1207 6.94,1208 97.99,1209 97.99,1210 11,1211 12.193,1212 3,1213 2.322,1214 69.518,1215 147,1216 159,1217 0.22,1218 244.064,1219 438.83,1220 587.276,1221 10271,1223 21.933,1224 0.731,1225 0.613,1226 21.933,1227 18.379,1228 14.401,1229 0.465,1230 0.379,1231 11.659,1232 14.046,1233 11.411,1234 9.459,1235 14.401,1236 11.741,1237 12.47,1238 0.312,1239 0.225,1240 12.47,1241 8.988,1242 9.354,1243 0.199,1244 0.143,1245 9.354,1246 6.699,1247 7.24,1248 0.129,1249 0.087,1250 7.24,1251 4.858,1252 5.344,1253 0.088,1254 0.055,1255 5.344,1256 3.326,1257 0.359,1258 89.293,1259 0.224,1260 29.336,1261 0.564,1262 142,1263 358.334,1264 152.739,1265 340.107,1266 435.44,1267 314,1268 158,1269 285.485,1270 166.306,1271 287.625,1272 411.92,1273 272,1274 6.268}
{0 CHEMBL36911,1 1.388,2 14.31,3 4.038,4 16.304,5 109.5,6 6.415,7 0.2,8 4.209,9 4.329,10 3.592,11 3.691,12 5.253,13 3.641,14 4.803,15 4.982,16 3.926,17 4.119,18 5.848,19 4.021,20 5.207,21 5.458,22 3.943,23 4.274,24 6.133,25 4.132,26 5.257,27 5.529,28 3.839,29 4.257,30 6.167,31 4.083,32 5.232,33 5.518,34 3.812,35 4.213,36 6.061,37 4.039,38 5.19,39 5.46,40 3.856,41 4.17,42 6.16,43 4.022,44 5.167,45 5.433,46 3.756,47 4.133,48 6.144,49 3.973,50 5.11,51 5.392,52 3.701,53 4.071,54 6.064,55 3.904,56 0.08,57 0.882,58 15.491,59 7.004,60 25.459,61 9.06,62 0.209,63 1.452,64 28.225,65 11.767,66 64.678,67 15.904,68 0.518,69 1.826,70 43.154,71 15.024,72 115.791,73 21.21,74 0.688,75 1.783,76 45.32,77 15.238,78 135.402,79 22.041,80 0.543,81 1.669,82 43.837,83 14.64,84 113.239,85 21.487,86 0.665,87 1.64,88 42.714,89 13.866,90 135.297,91 20.007,92 0.74,93 1.588,94 41.963,95 13.396,96 142.569,97 19.295,98 0.701,99 1.501,100 39.413,101 12.711,102 134.956,103 18.49,104 44,105 39,106 0.227,107 0.485,108 0.67,109 0.833,110 0.88,111 0.89,112 3.407,113 1.087,114 -4.38,115 -4.31,116 -4.07,118 35.9,120 11,121 2,125 3,133 4,134 1,135 1,145 1,150 1,153 1,154 15,155 1,158 1,160 1,162 7,164 18,165 1,167 1,170 7,171 17,172 1,175 1,178 1,179 7,180 13,181 1,184 1,189 7,192 11,193 1,196 1,199 1,200 8,202 13,203 1,206 1,209 1,210 6,211 12,212 1,215 1,219 6,222 11,223 1,226 1,230 6,231 1,233 10,234 2,236 1722,237 19.035,238 19.035,239 19.035,240 19.035,241 19.035,242 18.052,243 14.878,244 11.619,245 19.21,246 14.788,247 14.788,248 14.788,249 14.788,250 14.788,251 13.361,252 9.984,253 5.573,254 15.134,255 4.612,256 3.038,257 1.907,258 0.91,259 0.625,260 0.563,261 4.071,265 1,266 1,267 842,268 4.359,270 100.507,271 114.52,277 2.48,278 48.223,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.5,289 415,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.615,296 2.341,297 10.723,298 3.088,299 4.013,300 3.258,301 5.427,302 3.616,303 2.633,304 3.148,306 7.192,307 2.589,308 3.55,309 2.95,310 5.353,311 3.309,312 2.354,313 2.719,315 6.301,316 2.241,317 3.469,318 2.678,319 5.026,320 3.241,321 2.236,322 2.71,324 5.976,325 2.223,326 3.287,327 2.46,328 4.857,329 3.032,330 2.077,331 2.326,333 5.594,334 1.972,335 3.037,336 2.309,337 4.662,338 2.969,339 2.015,340 2.038,342 5.184,343 1.907,344 2.79,345 1.911,346 4.656,347 2.751,348 1.772,349 1.788,351 4.748,352 1.726,353 2.608,354 1.73,355 3.796,356 2.567,357 1.585,358 1.604,360 3.446,361 1.548,362 2.5,363 1.327,364 3.489,365 2.114,366 1.129,367 1.5,369 2.479,370 1.105,371 2.17,372 1.015,373 3.414,374 2,375 1,376 1.153,378 2.275,379 1,380 1.911,381 1,382 3.223,383 1.842,384 0.849,385 0.883,387 1.916,388 0.84,389 1.638,390 0.891,391 2.951,392 1.53,393 0.563,394 0.591,395 1.267,396 0.539,397 1.307,398 0.616,399 2.619,400 1.228,401 0.241,402 0.248,403 0.527,404 0.235,405 1.032,406 0.334,407 2.364,408 0.792,409 -0.163,410 -0.179,411 -0.365,412 -0.151,413 0.8,414 0.269,415 2.264,416 0.652,417 -0.284,418 -0.306,419 -0.622,420 -0.261,421 13.452,422 0.464,423 0.723,424 0.025,425 24,426 0.828,427 7.5,428 0.259,429 16.5,430 0.569,431 35.551,432 1.226,433 35.748,434 0.559,435 16.358,436 0.564,437 3.918,438 0.135,439 9.945,440 0.343,441 0.145,443 0.297,445 1,447 0.812,448 1.123,449 0.981,450 1.212,451 0.796,452 1.15,453 0.589,454 1.262,455 1.007,456 1.381,457 0.557,458 1.306,459 0.903,460 1.023,461 1.027,462 1.089,463 0.882,464 1.088,465 0.801,466 0.904,467 0.995,468 1.018,469 0.771,470 1.047,471 0.719,472 0.8,473 0.867,474 0.938,475 0.69,476 0.94,477 0.89,478 0.881,479 0.943,480 0.968,481 0.859,482 0.968,483 1.004,484 0.876,485 1.051,486 0.968,487 0.966,488 1.014,489 0.837,490 0.816,491 0.917,492 0.886,493 0.816,494 0.917,495 6,496 0.204,497 3.111,498 1.889,499 1.152,500 0.837,501 0.533,502 0.34,503 0.286,504 0.285,505 11513,506 33289,507 1.938,508 54.7,509 14,510 7,513 4,514 2,515 6,516 2,517 1.716,518 1.794,519 3.746,520 1.595,522 1,525 88.824,526 1.388,527 2.962,528 4.093,529 5.09,530 5.375,531 5.437,532 3.25,533 4.582,534 4.821,535 3.972,536 1612.54,537 8.385,538 23999.3,540 1,542 384,543 1.475,544 4.773,545 0.2,546 0.007,547 0.08,548 0.051,549 0.036,550 0.026,551 0.016,552 0.012,553 0.01,554 0.01,555 0.447,557 0.88,558 1.81,559 152.543,560 -0.088,561 0.095,562 -0.023,563 0.115,564 -0.078,565 0.069,566 0.054,567 -0.154,568 -0.079,569 -0.169,570 0.085,571 -0.158,572 -0.071,573 -0.065,574 -0.074,575 -0.067,576 -0.061,577 -0.072,578 -0.016,579 -0.031,580 -0.058,581 -0.044,582 -0.013,583 -0.058,584 -0.016,585 -0.016,586 0.05,587 0.012,588 -0.017,589 0.04,590 -0.011,591 -0.013,592 0.015,593 -0.01,594 -0.011,595 0.006,596 -0.061,597 -0.011,598 -0.081,599 -0.018,600 -0.058,601 -0.049,602 0.012,603 0.039,604 0.033,605 0.053,606 0.005,607 0.047,608 2.433,609 4.948,610 0.379,611 38.1,612 1.001,613 1.138,614 3.148,615 9.907,616 0.608,617 3.434,618 3.689,619 3.829,620 3.989,621 4.094,622 4.007,623 3.97,624 4.025,625 4.043,626 4.06,627 8.266,628 0.569,629 410.58,630 3.434,631 4.934,632 5.727,633 6.561,634 7.378,635 8.22,636 9.051,637 9.898,638 10.739,639 11.591,651 4,656 2,658 6,669 1,670 64,671 7,672 1,673 30,675 65,676 23,677 6,678 2,679 4,681 2,682 2,688 3,689 2,691 14,693 7,694 16,695 2,696 1,698 1,701 1,705 1,707 35,708 6,709 4,710 6,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,754 1,756 29,759 4,760 11,764 5,772 1,773 7.8,774 3,775 1,776 1,779 16.167,780 10.36,781 6.583,782 4.216,785 0.956,786 1.14,787 0.83,788 10.231,789 7.809,790 3.555,791 3.942,792 4.208,793 4.526,794 4.874,795 4.663,796 4.533,797 4.656,798 4.718,799 4.715,800 0.9,801 37,802 10.923,803 4.693,804 8.092,805 20.828,806 17.559,807 2.592,808 75.167,812 364.904,813 79.001,816 195.878,817 14.96,819 79.001,820 560.782,821 14.96,823 27.88,824 165.955,825 68.738,826 12.307,827 14.96,828 364.904,830 364.904,831 79.001,832 210.838,835 285.695,836 161.997,837 128.05,839 27.88,840 51.121,843 379.864,844 195.878,845 79.001,848 364.904,849 41.096,850 37.905,852 210.838,853 364.904,854 210.838,855 79.001,857 0.568,858 0.304,859 0.15,860 0.082,861 14,862 8,863 0.2,864 13,866 1,867 4.175,868 219.46,870 11,871 136.881,874 23.949,875 12.389,876 8.515,878 210.838,879 6.297,884 0.721,886 170.733,887 654.744,888 34,890 10.534,893 -0.766,895 64.054,896 72.86,897 0.231,898 0.494,899 0.682,900 0.848,901 0.896,902 0.906,903 4.783,904 1.585,905 5.687,906 4.748,907 4.369,908 4.625,909 2.258,910 6.405,911 4.322,912 5.898,913 1.129,914 7.195,915 3.446,916 3.892,917 4.248,918 2.243,919 7.182,920 3.77,921 7.138,922 1,923 8.804,924 2.479,925 5.872,926 6.457,927 3.628,928 10.236,929 5.786,930 8.402,931 0.849,932 10.475,933 2.275,934 6.196,935 6.827,936 4.112,937 11.938,938 6.046,939 9.697,940 0.563,941 12.19,942 1.916,943 7.662,944 8.595,945 5.201,946 14.535,947 7.538,948 11.013,949 0.241,950 13.937,951 1.267,952 8.389,953 9.305,954 5.889,955 16.646,956 8.217,957 12.346,958 -0.163,959 15.712,960 0.527,961 9.644,962 10.897,963 6.849,964 19.094,965 9.483,966 3.148,967 -0.284,968 17.51,969 -0.365,970 10.581,971 11.79,972 7.625,973 21.37,974 10.384,975 2.633,976 10.723,977 19.326,978 -0.622,979 11.753,980 13.29,981 8.526,982 23.768,983 11.555,984 2.354,985 7.192,986 21.158,987 3.615,988 12.794,989 14.298,990 9.342,991 26.104,992 12.57,993 2.236,994 6.301,995 23.004,996 3.148,997 13.938,998 15.737,999 10.216,1000 28.486,1001 13.704,1002 2.077,1003 5.976,1004 24.86,1005 2.719,1006 15.03,1007 16.824,1008 11.051,1009 30.845,1010 14.773,1011 2.015,1012 5.594,1013 26.724,1014 2.71,1015 16.166,1016 18.22,1017 11.912,1018 33.22,1019 15.895,1020 1.772,1021 5.184,1022 28.596,1023 2.326,1024 17.284,1025 19.363,1026 12.755,1027 35.587,1028 16.992,1029 11650,1030 19897,1031 19.186,1032 38.915,1033 43.393,1034 44.019,1035 44.709,1036 43.436,1037 43.204,1038 48.645,1039 4.682,1040 115.254,1041 42.024,1042 5.127,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.615,1048 3.925,1049 17.488,1050 5.088,1051 17.994,1052 1.446,1053 1.467,1054 1.49,1055 1.448,1056 1.44,1057 1.622,1058 0.156,1059 3.842,1060 1.401,1061 3.99,1062 4.03,1063 3.895,1064 3.895,1065 8.201,1066 3.889,1067 3.915,1068 3.947,1069 3.836,1070 3.834,1071 7.474,1072 3.828,1073 3.748,1074 3.8,1075 3.61,1076 3.612,1077 6.465,1078 3.599,1079 3.644,1080 3.691,1081 3.513,1082 3.498,1083 6.448,1084 3.492,1085 3.502,1086 3.547,1087 3.366,1088 3.319,1089 6.433,1090 3.318,1091 3.286,1092 3.356,1093 3.124,1094 3.13,1095 6.351,1096 3.115,1097 3.193,1098 3.243,1099 3.025,1100 2.963,1101 4.637,1102 2.969,1103 3.012,1104 3.058,1105 2.876,1106 2.783,1107 4.207,1108 2.789,1109 0.138,1110 0.12,1111 0.223,1112 0.138,1113 0.105,1114 4.148,1115 0.12,1116 3.596,1117 0.078,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.615,1124 2.341,1125 10.723,1126 3.088,1127 1.923,1128 1.894,1129 2.07,1130 2.023,1131 1.47,1132 2.039,1133 1.834,1134 1.786,1135 2.04,1136 1.973,1137 1.359,1138 1.998,1139 1.734,1140 1.683,1141 1.952,1142 1.897,1143 1.26,1144 1.916,1145 1.615,1146 1.568,1147 1.845,1148 1.805,1149 1.177,1150 1.817,1151 1.533,1152 1.485,1153 1.762,1154 1.733,1155 1.041,1156 1.742,1157 1.399,1158 1.347,1159 1.663,1160 1.621,1161 0.951,1162 1.63,1163 1.202,1164 1.138,1165 1.5,1166 1.431,1167 0.774,1168 1.454,1169 1.02,1170 0.964,1171 1.331,1172 1.316,1173 0.576,1174 1.315,1175 4.111,1177 5.38,1178 2.398,1179 6.81,1180 4.844,1181 8.32,1182 6.986,1183 9.879,1187 12.948,1189 39.628,1190 7.307,1194 -1.503,1199 36.44,1200 88.824,1201 189.579,1202 261.922,1203 325.735,1204 344,1205 348,1206 124.224,1207 6.852,1208 97.99,1209 97.99,1210 11,1211 12.151,1212 3,1213 2.322,1214 65.821,1215 138,1216 150,1217 0.22,1218 226.077,1219 410.3,1220 543.389,1221 9104,1222 1.6,1223 21.225,1224 0.732,1225 0.588,1226 20.355,1227 17.049,1228 13.863,1229 0.462,1230 0.362,1231 10.762,1232 13.39,1233 10.603,1234 8.728,1235 13.469,1236 10.869,1237 12.289,1238 0.315,1239 0.216,1240 11.667,1241 8.441,1242 9.02,1243 0.2,1244 0.138,1245 8.61,1246 6.212,1247 6.823,1248 0.129,1249 0.085,1250 6.681,1251 4.504,1252 5.182,1253 0.088,1254 0.052,1255 4.898,1256 3.089,1257 0.359,1258 86.931,1259 0.228,1260 28.566,1261 0.566,1262 138,1263 440.445,1264 152.57,1265 389.564,1266 487.54,1267 358,1268 153,1269 312.818,1270 164.216,1271 307.193,1272 439.62,1273 290,1274 6.678}
{0 CHEMBL369797,1 1.475,2 12.926,3 3.448,4 11.891,5 110.521,6 7.062,7 0.179,8 4.132,9 4.24,10 3.693,11 3.694,12 5.139,13 3.596,14 4.719,15 4.884,16 4.082,17 4.135,18 5.713,19 3.973,20 5.091,21 5.334,22 3.986,23 4.217,24 5.957,25 4.027,26 5.125,27 5.387,28 3.845,29 4.198,30 6.009,31 3.994,32 5.125,33 5.392,34 3.874,35 4.169,36 5.972,37 3.98,38 5.102,39 5.363,40 3.9,41 4.147,42 6.053,43 3.965,44 5.072,45 5.328,46 3.862,47 4.114,48 6.032,49 3.904,50 4.966,51 5.24,52 3.756,53 4.025,54 5.801,55 3.805,56 0.079,57 0.78,58 15.502,59 7.056,60 20.559,61 8.493,62 0.224,63 1.333,64 33.569,65 12.996,66 53.117,67 15.251,68 0.476,69 1.65,70 45.908,71 15.641,72 84.247,73 19.67,74 0.584,75 1.669,76 47.749,77 15.952,78 99.44,79 20.379,80 0.513,81 1.633,82 45.821,83 15.247,84 88.548,85 19.898,86 0.575,87 1.594,88 45.293,89 15.037,90 104.507,91 19.264,92 0.691,93 1.543,94 46.347,95 14.785,96 112.667,97 18.48,98 0.503,99 1.412,100 44.205,101 13.923,102 78.178,103 17.19,104 33,105 36,106 0.246,107 0.511,108 0.708,109 0.846,110 0.897,111 0.909,112 3.339,113 1.26,114 -3.71,115 -3.67,116 -3.49,118 33.9,120 9,121 2,124 1,125 3,133 2,141 1,143 1,145 1,150 1,153 1,154 10,155 1,158 1,160 1,162 6,164 14,165 1,167 1,170 7,171 11,172 1,175 1,178 1,179 6,180 9,181 1,184 1,189 7,192 9,193 1,196 1,199 1,200 6,202 9,203 1,206 1,209 1,210 5,211 9,212 1,215 1,219 5,222 7,223 1,226 1,230 5,231 1,233 7,234 2,236 1433,237 17.88,238 17.88,239 17.88,240 17.88,241 17.88,242 17.052,243 11.375,244 11.033,245 18.411,246 13.821,247 13.821,248 13.821,249 13.821,250 13.821,251 12.623,252 7.588,253 5.288,254 14.753,255 4.408,256 2.82,257 1.644,258 0.818,259 0.508,260 0.441,261 4.001,265 1,266 1,267 710,268 4.301,270 183.821,277 2.373,278 38.234,280 1,281 0.83,282 0.83,283 1,284 1,285 0.67,286 0.5,287 0.83,288 59,289 349,290 4.148,291 4.417,292 6.682,293 4.13,294 3.148,295 3.48,296 2.95,297 10.723,298 3.088,299 3.925,300 3.596,301 5.379,302 3.419,303 2.574,304 3.148,305 2.341,306 7.055,307 2.228,308 3.55,309 3.258,310 5.348,311 3.242,312 2.304,313 2.71,315 6.282,316 2.221,317 3.347,318 2.932,319 4.99,320 3.23,321 2.236,322 2.358,324 5.888,325 2.068,326 3.041,327 2.334,328 4.662,329 2.992,330 2.036,331 2.042,333 5.184,334 1.94,335 2.793,336 2.199,337 4.657,338 2.752,339 1.774,340 1.794,342 4.751,343 1.726,344 2.658,345 1.904,346 3.797,347 2.568,348 1.588,349 1.699,351 3.447,352 1.547,353 2.594,354 1.726,355 3.552,356 2.184,357 1.298,358 1.595,360 2.804,361 1.131,362 2.163,363 1.568,364 3.416,365 2.09,366 1.114,367 1.145,369 2.422,370 1.069,371 2.118,372 1.316,373 3.14,374 1.746,375 0.78,376 0.927,378 1.762,379 0.744,380 1.843,381 0.951,382 3,383 1.464,384 0.618,385 0.812,387 1.372,388 0.507,389 1.531,390 0.618,391 2.814,392 1.347,393 0.434,394 0.465,395 0.981,396 0.379,397 1.261,398 0.614,399 2.564,400 1.106,401 0.196,402 0.204,403 0.426,404 0.179,405 0.816,406 0.309,407 2.345,408 0.72,409 -0.24,410 -0.244,411 -0.551,412 -0.227,413 0.496,414 0.138,415 2.191,416 0.341,417 -0.559,418 -0.56,419 -1.302,420 -0.489,421 13.333,422 0.494,423 0.617,424 0.023,425 21.25,426 0.787,427 6,428 0.222,429 15.25,430 0.565,431 34.94,432 1.294,433 32.867,434 0.557,435 11.681,436 0.433,437 2.942,438 0.109,439 10.027,440 0.371,441 0.125,443 0.263,447 0.92,448 1.079,449 0.872,450 0.969,451 0.9,452 1.058,453 0.63,454 1.273,455 0.982,456 1.185,457 0.592,458 1.243,459 0.972,460 1.031,461 0.938,462 0.983,463 0.962,464 1.046,465 0.858,466 0.982,467 0.963,468 0.969,469 0.811,470 1.011,471 0.922,472 0.929,473 0.79,474 0.854,475 0.902,476 0.945,477 0.953,478 0.936,479 0.837,480 0.871,481 0.916,482 0.938,483 1.106,484 0.923,485 0.968,486 0.904,487 1.066,488 0.986,489 0.939,490 0.874,491 1.014,492 0.94,493 0.915,494 0.886,495 5,496 0.179,497 2.667,498 1.861,499 0.935,500 0.722,501 0.523,502 0.247,503 0.247,504 0.26,505 9410,506 27922,507 1.954,508 54.2,509 12,510 7,511 1,513 4,514 2,515 4,516 2,517 1.698,518 1.82,519 3.613,520 1.698,522 1,525 87.028,526 1.475,527 3.063,528 4.238,529 5.065,530 5.374,531 5.442,532 3.084,533 4.385,534 4.717,535 3.858,536 1354.09,537 8.182,538 19006.6,540 1,541 1,542 347.076,543 1.427,544 4.677,545 0.179,546 0.007,547 0.074,548 0.058,549 0.031,550 0.024,551 0.017,552 0.01,553 0.01,554 0.009,555 0.418,556 0.17,557 0.88,558 1.859,559 138.302,560 -0.112,561 0.157,562 0.038,563 0.164,564 -0.099,565 0.09,566 0.062,567 -0.113,568 0.012,569 -0.05,570 0.086,571 -0.132,572 -0.072,573 -0.052,574 -0.031,575 -0.037,576 -0.078,577 -0.06,578 -0.006,579 -0.03,580 -0.067,581 -0.045,582 0.008,583 -0.038,584 -0.045,585 -0.008,586 0.019,587 -0.001,588 -0.055,589 0.007,590 0.004,591 -0.008,592 0.017,593 0.005,594 0.009,595 0.013,596 -0.057,597 0.015,598 -0.032,599 0.017,600 -0.055,601 -0.036,602 -0.055,603 0.076,604 0.013,605 0.051,606 -0.067,607 0.085,608 2.416,609 4.314,610 0.37,611 33.723,612 0.999,613 1.128,614 2.475,615 6.127,616 0.64,617 3.367,618 3.611,619 3.761,620 3.932,621 3.912,622 3.892,623 3.892,624 3.912,625 3.932,626 3.989,627 7.736,628 0.583,629 416.66,630 3.367,631 4.86,632 5.652,633 6.485,634 7.302,635 8.143,636 8.974,637 9.822,638 10.664,639 11.518,651 3,655 1,656 1,658 5,670 59,671 6,673 28,675 60,676 20,677 4,681 2,682 2,688 3,689 2,691 12,693 5,694 15,695 2,696 1,698 1,701 1,704 1,707 32,708 5,709 4,710 7,711 2,717 1,718 5,719 3,730 2,739 1,746 4,748 2,749 1,750 2,756 27,759 4,760 10,763 1,764 5,769 1,773 8.5,774 3,775 1,776 1,779 14.833,780 9.467,781 6.167,782 3.778,785 0.664,786 1.1,787 0.831,788 10.474,789 7.317,790 3.481,791 3.834,792 4.084,793 4.389,794 4.225,795 4.232,796 4.264,797 4.337,798 4.316,799 4.496,800 0.889,801 32,802 10.158,803 4.323,804 7.932,805 19.654,806 16.612,807 2.432,808 65.667,810 1,811 1,812 329.591,813 114.719,816 195.878,818 63.497,819 51.222,820 525.469,823 23.71,824 154.652,825 68.738,827 11.771,828 381.317,830 329.591,831 51.222,832 195.878,833 63.497,835 258.964,836 138.455,837 128.05,839 23.71,840 27.511,842 63.497,843 329.591,844 195.878,845 114.719,848 329.591,849 88.118,850 26.602,852 195.878,853 329.591,854 195.878,855 114.719,857 0.563,858 0.303,859 0.155,860 0.073,861 13,862 7,863 0.217,864 13,866 1,867 4.026,868 198.601,870 10,871 128.382,872 2,874 22.985,875 12.303,876 8.302,878 195.878,879 6.074,883 1.672,884 1.2,886 170.733,887 640.188,888 31.5,890 10.521,893 -0.75,895 58.927,896 66.53,897 0.251,898 0.521,899 0.72,900 0.861,901 0.914,902 0.925,903 4.703,904 1.298,905 5.602,906 3.447,907 4.29,908 4.516,909 3.295,910 6.319,911 4.175,912 5.799,913 1.114,914 7.106,915 2.804,916 3.761,917 4.034,918 2.243,919 7.096,920 3.586,921 7.026,922 0.78,923 8.715,924 2.422,925 5.784,926 6.282,927 5.242,928 10.173,929 5.585,930 8.28,931 0.618,932 10.39,933 1.762,934 6.111,935 6.658,936 4.112,937 11.903,938 5.866,939 9.57,940 0.434,941 12.112,942 1.372,943 7.579,944 8.35,945 7.313,946 14.502,947 7.325,948 10.883,949 0.196,950 13.869,951 0.981,952 8.326,953 9.132,954 5.889,955 16.631,956 8.049,957 12.213,958 -0.24,959 15.653,960 0.426,961 9.577,962 10.587,963 9.427,964 19.08,965 9.295,966 3.148,967 -0.559,968 17.46,969 -0.551,970 10.532,971 11.576,972 7.625,973 21.363,974 10.241,975 2.574,976 10.723,977 19.285,978 -1.302,979 11.702,980 12.919,981 11.56,982 23.762,983 11.406,984 2.304,985 7.055,986 21.125,987 3.48,988 12.756,989 14.016,990 9.342,991 26.101,992 12.454,993 2.236,994 6.282,995 22.976,996 3.148,997 13.9,998 15.304,999 13.706,1000 28.483,1001 13.592,1002 2.036,1003 5.888,1004 24.838,1005 2.71,1006 15.001,1007 16.461,1008 11.051,1009 30.843,1010 14.685,1011 1.774,1012 5.184,1013 26.707,1014 2.358,1015 16.138,1016 17.722,1017 15.858,1018 33.219,1019 15.814,1020 1.588,1021 4.751,1022 28.582,1023 2.042,1024 17.261,1025 18.913,1026 12.755,1027 35.586,1028 16.926,1029 9508,1030 16465,1031 18.087,1032 37.75,1033 40.694,1034 43.333,1035 41.161,1036 40.214,1037 40.198,1038 44.757,1039 10.582,1040 106.195,1041 37.655,1042 5.128,1043 6.385,1044 6.506,1045 5.296,1046 5.148,1047 6.065,1048 5.9,1049 17.488,1050 5.067,1051 15.479,1052 1.453,1053 1.548,1054 1.47,1055 1.436,1056 1.436,1057 1.598,1058 0.378,1059 3.793,1060 1.345,1061 3.976,1062 4.016,1063 4.299,1064 3.932,1065 7.474,1066 3.867,1067 3.829,1068 3.831,1069 3.86,1070 3.852,1071 6.465,1072 3.795,1073 3.747,1074 3.8,1075 3.639,1076 3.611,1077 6.448,1078 3.599,1079 3.615,1080 3.66,1081 3.604,1082 3.487,1083 6.433,1084 3.464,1085 3.499,1086 3.543,1087 3.372,1088 3.317,1089 6.351,1090 3.314,1091 3.195,1092 3.244,1093 3.23,1094 3.059,1095 4.657,1096 2.998,1097 3.173,1098 3.237,1099 3.026,1100 2.963,1101 4.206,1102 2.968,1103 2.946,1104 2.989,1105 2.856,1106 2.66,1107 4.041,1108 2.657,1109 0.148,1110 0.158,1111 0.239,1112 0.147,1113 0.112,1114 4.148,1115 0.124,1116 4.417,1117 0.105,1118 6.682,1119 0.383,1120 4.13,1121 0.11,1122 3.148,1123 3.48,1124 2.95,1125 10.723,1126 3.088,1127 1.837,1128 1.79,1129 2.054,1130 1.981,1131 1.467,1132 2.008,1133 1.738,1134 1.689,1135 1.962,1136 1.902,1137 1.34,1138 1.926,1139 1.616,1140 1.573,1141 1.843,1142 1.804,1143 1.203,1144 1.817,1145 1.539,1146 1.509,1147 1.74,1148 1.717,1149 1.095,1150 1.732,1151 1.46,1152 1.418,1153 1.646,1154 1.611,1155 0.963,1156 1.627,1157 1.388,1158 1.355,1159 1.618,1160 1.565,1161 0.756,1162 1.589,1163 1.273,1164 1.272,1165 1.411,1166 1.366,1167 0.667,1168 1.407,1169 1.07,1170 1.013,1171 1.278,1172 1.265,1173 0.568,1174 1.319,1175 4.043,1177 5.303,1178 3.045,1179 6.715,1180 5.352,1181 8.207,1182 7.38,1183 9.751,1189 39.521,1190 7.014,1193 1.658,1194 -1.244,1199 34.377,1200 87.028,1201 180.715,1202 250.056,1203 298.811,1204 317.076,1205 321.076,1206 100.926,1207 6.653,1208 97.99,1209 151.53,1210 10,1211 12.076,1212 2.807,1213 2.17,1214 58.617,1215 119,1216 132,1217 0.226,1218 221.291,1219 391.99,1220 531.711,1221 6869,1223 19.648,1224 0.728,1225 0.642,1226 20.355,1227 17.336,1228 12.969,1229 0.463,1230 0.42,1231 9.975,1232 11.738,1233 9.634,1234 7.921,1235 13.877,1236 11.759,1237 11.314,1238 0.314,1239 0.272,1240 12.573,1241 9.787,1242 8.36,1243 0.199,1244 0.184,1245 9.835,1246 7.722,1247 6.504,1248 0.13,1249 0.115,1250 7.791,1251 5.772,1252 4.285,1253 0.087,1254 0.078,1255 5.3,1256 3.844,1257 0.368,1258 89.785,1259 0.235,1260 26.869,1261 0.587,1262 128,1263 362.055,1264 188.884,1265 380.088,1266 482.85,1267 352,1268 142,1269 283.942,1270 185.936,1271 310.07,1272 446.99,1273 292,1274 7.959}
{0 CHEMBL371394,1 1.356,2 15.659,3 8.21,4 67.398,5 162.018,6 7.407,7 0.63,8 4.377,9 4.48,10 3.953,11 4.008,12 5.466,13 3.971,14 4.894,15 5.033,16 4.284,17 4.398,18 5.936,19 4.336,20 5.169,21 5.368,22 4.343,23 4.511,24 6.154,25 4.42,26 5.228,27 5.444,28 4.346,29 4.461,30 6.198,31 4.387,32 5.2,33 5.395,34 4.382,35 4.474,36 6.223,37 4.423,38 5.181,39 5.36,40 4.38,41 4.564,42 6.192,43 4.486,44 5.262,45 5.452,46 4.397,47 4.643,48 6.242,49 4.543,50 5.349,51 5.558,52 4.359,53 4.67,54 6.293,55 4.543,56 0.093,57 0.913,58 14.326,59 6.885,60 11.49,61 8.83,62 0.225,63 1.516,64 25.902,65 11.783,66 26.463,67 15.214,68 0.288,69 2.007,70 37.257,71 15.893,72 50.609,73 21.264,74 0.363,75 2.134,76 41.672,77 16.009,78 55.034,79 20.88,80 0.53,81 2.082,82 40.435,83 14.602,84 62.601,85 18.129,86 0.353,87 2.042,88 37.36,89 15.261,90 53.214,91 19.574,92 0.312,93 2.187,94 40.644,95 17.481,96 52.113,97 22.883,98 0.275,99 2.387,100 45.052,101 19.555,102 57.475,103 26.173,104 2,105 62,106 0.207,107 0.492,108 0.634,109 0.776,110 0.85,111 0.868,112 3.741,113 0.921,114 -7.65,115 -7.42,116 -6.85,118 49.3,120 4,121 1,124 1,129 1,130 1,133 19,134 5,137 1,142 1,145 1,147 1,152 1,154 32,157 1,158 6,160 1,162 1,164 35,166 1,167 15,170 3,171 24,175 20,179 4,180 16,184 16,189 4,192 27,196 11,200 2,202 40,206 9,210 2,211 46,215 7,219 2,222 44,225 2,226 3,228 2,230 1,233 38,236 3794,237 28.689,238 28.689,239 28.689,240 28.689,241 28.689,242 24.955,243 15.282,244 17.541,245 28.812,246 22.818,247 22.818,248 22.818,249 22.818,250 22.818,251 17.265,252 10.878,253 8.426,254 22.992,255 4.834,256 2.958,257 2.031,258 1.101,259 0.613,260 0.493,261 4.46,267 1427,268 3.464,270 106.413,271 695.893,277 2.545,278 27.319,280 0.5,281 0.5,282 0.5,283 0.4,284 0.5,285 0.67,286 1,287 0.58,288 86,289 642,290 4.575,291 4.04,292 6.769,293 4.208,294 3.223,295 4.288,296 2.178,297 11.16,298 3.175,299 4.239,300 3.319,301 6.444,302 3.937,303 2.938,304 3.807,305 0.913,306 9.989,307 2.935,308 4.146,309 3.288,310 6.063,311 3.821,312 2.817,313 3.554,315 8.763,316 2.824,317 3.909,318 3.067,319 5.763,320 3.51,321 2.521,322 3.473,324 7.796,325 2.504,326 3.896,327 2.685,328 5.417,329 3.508,330 2.511,331 3.444,333 7.038,334 2.494,335 3.674,336 2.642,337 5.339,338 3.339,339 2.339,340 3.01,342 6.954,343 2.335,344 3.496,345 2.511,346 5.062,347 3.069,348 2.078,349 2.886,351 5.929,352 2.057,353 3.09,354 2.15,355 4.646,356 2.756,357 1.762,358 2.249,360 4.648,361 1.75,362 2.967,363 1.895,364 4.177,365 2.596,366 1.621,367 2.164,369 3.845,370 1.577,371 2.957,372 1.754,373 4,374 2.519,375 1.524,376 2.118,378 3.42,379 1.516,380 2.878,381 1.651,382 3.943,383 2.481,384 1.482,385 1.988,387 3.235,388 1.478,389 2.635,390 1.602,391 3.648,392 2.347,393 1.35,394 1.633,395 3.113,396 1.345,397 2.582,398 1.524,399 3.595,400 2.191,401 1.197,402 1.599,403 2.821,404 1.189,405 2.5,406 1.225,407 3.48,408 2.146,409 1.155,410 1.5,411 2.564,412 1.142,413 2.5,414 1.177,415 3.477,416 2,417 1,418 1.5,419 2.33,420 1,421 19.8,422 0.483,423 0.688,424 0.017,425 56,426 1.366,427 31,428 0.756,429 25,430 0.61,431 36.074,432 0.88,433 41.4,434 0.567,435 46.232,436 1.128,437 11.148,438 0.272,439 9.094,440 0.222,441 0.017,443 0.278,447 0.664,448 0.983,449 0.775,450 0.937,451 0.606,452 0.879,453 0.848,454 1.101,455 0.951,456 1.073,457 0.686,458 1.036,459 0.768,460 1.146,461 0.922,462 1.096,463 0.73,464 1.037,465 1.427,466 1.083,467 0.954,468 0.969,469 1.094,470 0.916,471 2.031,472 0.886,473 1.086,474 0.786,475 1.475,476 0.817,477 1.371,478 0.977,479 1.11,480 0.97,481 1.262,482 0.999,483 1.064,484 1.013,485 1.082,486 1.04,487 1.211,488 1.06,489 0.848,490 1.141,491 1.108,492 1.172,493 1.186,494 1.171,495 5.5,496 0.16,497 3.556,498 2.16,499 1.648,500 1.359,501 0.785,502 0.484,503 0.423,504 0.238,505 31037,506 72578,507 2.192,508 43.8,509 9,510 22,513 1,517 1.807,518 2.139,519 3.879,520 -0.497,525 98.985,526 1.356,527 3.231,528 4.158,529 5.089,530 5.577,531 5.697,532 3.348,533 4.607,534 5.324,535 4.097,536 3359.76,537 9.415,538 60320.8,542 451.857,543 0.993,544 5.325,545 0.12,546 0.004,547 0.057,548 0.034,549 0.027,550 0.021,551 0.012,552 0.007,553 0.007,554 0.004,555 0.292,556 0.17,557 0.63,558 0.261,559 234.602,560 0.102,561 0.045,562 0.061,563 0.032,564 0.005,565 0.039,566 0.087,567 -0.097,568 -0.057,569 -0.099,570 0.031,571 -0.099,572 0.135,573 -0.155,574 0.036,575 -0.113,576 0.135,577 -0.06,578 -0.053,579 -0.063,580 0.073,581 -0.008,582 -0.001,583 0.038,584 -0.267,585 0.172,586 -0.045,587 0.151,588 -0.154,589 0.092,590 -0.184,591 0.049,592 -0.149,593 -0.008,594 -0.13,595 -0.061,596 -0.116,597 -0.027,598 -0.134,599 -0.055,600 -0.107,601 -0.089,602 -0.048,603 -0.17,604 -0.153,605 -0.178,606 -0.093,607 -0.178,608 1.921,609 5.802,610 0.854,611 56.381,612 0.992,613 1.108,614 6.42,615 41.219,616 0.696,617 3.85,618 4.143,619 4.431,620 4.71,621 4.956,622 5.037,623 5.236,624 5.389,625 5.529,626 5.62,627 9.094,628 0.659,629 540.7,630 3.85,631 5.38,632 6.229,633 7.096,634 7.963,635 8.841,636 9.719,637 10.605,638 11.489,639 12.38,640 2.7,644 1,647 1,651 19,652 1,654 1,656 8,658 29,670 73,671 31,672 4,673 46,675 78,676 36,677 27,678 5,679 19,680 3,681 6,682 6,688 3,689 1,691 4,693 30,694 6,695 1,696 2,698 1,699 1,701 2,707 32,708 5,709 1,710 5,714 2,717 1,718 3,721 1,730 1,731 5,741 1,742 1,743 1,748 6,756 41,760 5,761 1,762 1,764 1,773 4.1,776 1,777 1,778 1,779 19.167,780 12.95,781 9.083,782 4.531,785 4.469,786 1.508,787 1.016,788 8.396,789 13.274,790 4.151,791 4.721,792 5.305,793 5.874,794 6.394,795 6.623,796 7.069,797 7.449,798 7.833,799 8.152,800 1,801 63,802 15.18,803 6.47,804 7.573,805 29.493,806 24.565,807 2.073,808 85,812 364.904,813 241.299,814 37.411,816 45.871,819 241.299,820 410.775,821 37.411,823 35.356,824 189.525,825 62.874,826 31.378,827 5.449,828 364.904,830 364.904,831 278.71,832 45.871,835 364.904,836 34.652,837 11.219,839 43.132,840 209.316,841 26.262,843 364.904,844 83.282,845 241.299,848 364.904,849 51.774,850 189.525,851 20.625,852 62.657,853 364.904,854 83.282,855 241.299,857 0.567,858 0.332,859 0.187,860 0.104,861 29,862 11,863 0.115,864 9,866 1,867 5.176,868 417.991,870 35,871 207.66,874 26.801,875 12.844,876 6.504,878 83.282,879 37.899,880 5.061,882 6.545,884 7.014,886 20.625,887 689.485,888 62.5,890 12.802,891 2.275,893 0.881,895 72.44,896 80.853,897 0.219,898 0.522,899 0.672,900 0.822,901 0.901,902 0.92,903 5.362,904 1.762,905 6.176,906 5.929,907 4.828,908 5.409,909 2.498,910 6.957,911 4.814,912 6.542,913 1.621,914 7.705,915 4.648,916 4.205,917 4.934,919 7.789,920 4.194,921 7.823,922 1.524,923 9.34,924 3.845,925 6.378,926 7.541,927 3.858,928 10.931,929 6.35,930 9.142,931 1.482,932 11.042,933 3.42,934 6.661,935 7.955,937 12.668,938 6.632,939 10.496,940 1.35,941 12.79,942 3.235,943 8.226,944 9.952,945 5.374,946 15.297,947 8.184,948 11.877,949 1.197,950 14.569,951 3.113,952 8.942,953 10.81,955 17.399,956 8.893,957 13.277,958 1.155,959 16.37,960 2.821,961 10.248,962 12.522,963 6.922,964 19.86,965 10.187,966 3.223,967 1,968 18.189,969 2.564,970 11.179,971 13.624,973 22.12,974 11.107,975 2.938,976 11.16,977 20.02,978 2.33,979 12.375,980 15.192,981 8.478,982 24.527,983 12.292,984 2.817,985 9.989,986 21.861,987 4.288,988 13.412,989 16.436,991 26.857,992 13.315,993 2.521,994 8.763,995 23.711,996 3.807,997 14.566,998 17.931,999 10.034,1000 29.249,1001 14.457,1002 2.511,1003 7.796,1004 25.567,1005 3.554,1006 15.656,1007 19.258,1009 31.613,1010 15.532,1011 2.339,1012 7.038,1013 27.429,1014 3.473,1015 16.798,1016 20.72,1017 11.591,1018 34.003,1019 16.659,1020 2.078,1021 6.954,1022 29.295,1023 3.444,1024 17.916,1025 22.095,1027 36.384,1028 17.761,1029 28472,1030 43725,1031 32.186,1032 50.796,1033 69.091,1034 71.376,1035 68.919,1036 68.102,1037 68.121,1038 91.254,1039 6.181,1040 188.359,1041 67.604,1042 5.497,1043 6.04,1044 6.571,1045 5.233,1046 5.223,1047 7.288,1048 4.356,1049 18.336,1050 5.175,1051 8.753,1052 1.502,1053 1.552,1054 1.498,1055 1.48,1056 1.481,1057 1.984,1058 0.134,1059 4.095,1060 1.47,1061 4.089,1062 4.109,1063 4.049,1064 3.996,1065 7.429,1066 4.002,1067 3.958,1068 3.982,1069 3.901,1070 3.893,1071 5.153,1072 3.89,1073 3.902,1074 3.932,1075 3.827,1076 3.84,1077 4.812,1078 3.833,1079 3.842,1080 3.873,1081 3.769,1082 3.789,1083 4.721,1084 3.78,1085 3.828,1086 3.863,1087 3.745,1088 3.752,1089 4.701,1090 3.745,1091 3.581,1092 3.61,1093 3.508,1094 3.407,1095 4.687,1096 3.431,1097 3.432,1098 3.469,1099 3.358,1100 3.194,1101 4.552,1102 3.217,1103 3.228,1104 3.293,1105 3.072,1106 3.058,1107 4.331,1108 3.057,1109 0.099,1110 0.088,1111 0.147,1112 0.091,1113 0.07,1114 4.575,1115 0.093,1116 4.04,1117 0.047,1118 6.769,1119 0.243,1120 4.208,1121 0.069,1122 3.223,1123 4.288,1124 2.178,1125 11.16,1126 3.175,1127 1.975,1128 1.947,1129 2.114,1130 2.068,1131 1.454,1132 2.083,1133 1.942,1134 1.92,1135 2.045,1136 2.015,1137 1.15,1138 2.026,1139 1.903,1140 1.875,1141 2.033,1142 1.995,1143 1.136,1144 2.008,1145 1.863,1146 1.836,1147 1.99,1148 1.952,1149 1.131,1150 1.965,1151 1.834,1152 1.801,1153 1.979,1154 1.929,1155 1.045,1156 1.948,1157 1.326,1158 1.282,1159 1.564,1160 1.61,1161 0.84,1162 1.572,1163 1.275,1164 1.25,1165 1.476,1166 1.495,1167 0.62,1168 1.477,1169 1.251,1170 1.22,1171 1.428,1172 1.428,1173 0.612,1174 1.441,1175 4.533,1177 5.832,1178 2.398,1179 7.331,1180 4.727,1181 8.916,1182 6.862,1183 10.546,1190 4.249,1191 2.578,1192 5.458,1194 0.238,1199 48.089,1200 98.985,1201 235.899,1202 303.563,1203 371.518,1204 407.102,1205 415.857,1206 66.566,1207 8.805,1208 64.36,1209 64.36,1210 35,1211 12.91,1212 5,1213 4.129,1214 59.44,1215 220,1216 266,1217 0.126,1218 290.473,1219 508.83,1220 700.515,1221 105206,1223 27.857,1224 0.679,1225 0.557,1226 27.857,1227 22.832,1228 20.242,1229 0.44,1230 0.307,1231 14.01,1232 19.808,1233 13.715,1234 11.394,1235 20.242,1236 14.115,1237 17.504,1238 0.282,1239 0.167,1240 17.504,1241 10.326,1242 15.045,1243 0.181,1244 0.09,1245 15.045,1246 7.436,1247 12.785,1248 0.116,1249 0.049,1250 12.785,1251 5.381,1252 10.581,1253 0.075,1254 0.027,1255 10.581,1256 3.823,1257 0.202,1258 124.71,1259 0.176,1260 36.972,1261 0.337,1262 216,1263 559.185,1264 229.186,1265 549.182,1266 767.65,1267 518,1268 253,1269 578.254,1270 267.794,1271 588.686,1272 860.2,1273 556,1274 6}
{0 CHEMBL37244,1 1.274,2 13.69,3 4.319,4 18.649,5 114.325,6 6.069,7 0.2,8 4.244,9 4.369,10 3.583,11 3.735,12 5.232,13 3.671,14 4.84,15 5.028,16 3.909,17 4.165,18 5.799,19 4.051,20 5.228,21 5.479,22 3.945,23 4.335,24 6.076,25 4.179,26 5.308,27 5.578,28 3.864,29 4.341,30 6.168,31 4.152,32 5.314,33 5.608,34 3.817,35 4.29,36 6.094,37 4.096,38 5.242,39 5.521,40 3.872,41 4.225,42 6.153,43 4.062,44 5.212,45 5.477,46 3.756,47 4.188,48 6.162,49 4.016,50 5.164,51 5.458,52 3.645,53 4.131,54 5.961,55 3.939,56 0.097,57 0.855,58 16.641,59 7.311,60 19.537,61 9.782,62 0.253,63 1.418,64 29.62,65 12.269,66 50.206,67 16.999,68 0.439,69 1.815,70 42.989,71 15.712,72 76.995,73 22.463,74 0.597,75 1.886,76 46.197,77 16.421,78 100.856,79 23.823,80 0.512,81 1.83,82 45.979,83 15.947,84 87.072,85 23.398,86 0.586,87 1.698,88 43.447,89 14.673,90 102.529,91 21.388,92 0.691,93 1.633,94 42.633,95 14.047,96 115.323,97 20.359,98 0.503,99 1.556,100 39.674,101 13.535,102 83.043,103 19.837,104 44,105 39,106 0.206,107 0.462,108 0.676,109 0.836,110 0.889,111 0.904,112 3.407,113 1.119,114 -4.21,115 -4.16,116 -3.93,118 35.8,119 1,120 11,121 2,125 3,133 4,134 2,145 1,150 1,153 1,154 18,155 1,158 1,160 1,162 7,164 22,165 1,167 1,170 7,171 21,172 1,175 1,178 1,179 7,180 16,181 1,184 1,189 7,192 12,193 1,196 1,199 1,200 9,202 14,203 1,206 1,209 1,210 7,211 14,212 1,215 1,219 6,222 13,223 1,226 1,230 6,231 1,233 12,234 2,236 1692,237 19.087,238 19.087,239 19.087,240 19.087,241 19.087,242 18.076,243 14.108,244 11.672,245 19.2,246 14.782,247 14.782,248 14.782,249 14.782,250 14.782,251 13.341,252 9.931,253 5.562,254 15.004,255 4.792,256 3.213,257 1.893,258 0.911,259 0.578,260 0.489,261 4.071,265 1,266 1,267 805,268 4.359,270 99.214,271 114.52,277 2.507,278 39.438,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 63,289 397,290 4.162,291 3.596,292 6.682,293 4.13,294 3.148,295 3.774,296 2.341,297 10.723,298 3.088,299 4.147,300 3.258,301 6.023,302 3.799,303 2.8,304 3.148,306 8.556,307 2.798,308 3.55,309 3.015,310 5.354,311 3.304,312 2.344,313 2.71,315 6.307,316 2.244,317 3.361,318 2.584,319 5.023,320 3.241,321 2.236,322 2.375,324 5.945,325 2.223,326 3.044,327 2.312,328 4.663,329 2.998,330 2.038,331 2.083,333 5.184,334 1.951,335 2.904,336 1.914,337 4.657,338 2.756,339 1.776,340 2.033,342 4.755,343 1.733,344 2.843,345 1.791,346 4.195,347 2.584,348 1.598,349 1.966,351 3.871,352 1.57,353 2.787,354 1.725,355 3.796,356 2.511,357 1.519,358 1.787,360 3.444,361 1.502,362 2.607,363 1.482,364 3.605,365 2.414,366 1.414,367 1.603,369 2.985,370 1.414,371 2.169,372 1.324,373 3.479,374 2.109,375 1.124,376 1.151,378 2.461,379 1.1,380 1.904,381 0.977,382 3.207,383 1.817,384 0.822,385 0.867,387 1.859,388 0.816,389 1.637,390 0.735,391 2.938,392 1.519,393 0.542,394 0.581,395 1.215,396 0.526,397 1.306,398 0.602,399 2.618,400 1.23,401 0.239,402 0.247,403 0.523,404 0.236,405 1.017,406 0.31,407 2.364,408 0.825,409 -0.166,410 -0.18,411 -0.372,412 -0.163,413 0.805,414 0.087,415 2.264,416 0.683,417 -0.286,418 -0.308,419 -0.627,420 -0.274,421 13.667,422 0.471,423 0.706,424 0.024,425 23.75,426 0.819,427 7.5,428 0.259,429 16.25,430 0.56,431 36.92,432 1.273,433 35.533,434 0.53,435 15.32,436 0.528,437 3.771,438 0.13,439 10.109,440 0.349,441 0.159,443 0.293,447 0.916,448 1.229,449 1.069,450 1.224,451 0.903,452 1.177,453 0.608,454 1.332,455 1.055,456 1.334,457 0.585,458 1.275,459 0.952,460 1.099,461 1.061,462 1.102,463 0.942,464 1.1,465 0.864,466 1.07,467 1.054,468 1.08,469 0.832,470 1.096,471 0.857,472 0.943,473 0.918,474 0.944,475 0.831,476 0.942,477 0.943,478 0.96,479 0.913,480 0.954,481 0.904,482 0.932,483 1.233,484 0.978,485 1.124,486 0.984,487 1.17,488 1.03,489 0.978,490 0.873,491 0.95,492 0.878,493 0.951,494 0.906,495 5.5,496 0.241,497 3.333,498 2.139,499 1.072,500 0.893,501 0.535,502 0.278,503 0.262,504 0.329,505 11329,506 27599,507 1.938,508 56.7,509 17,510 7,513 4,514 2,515 6,516 2,517 1.717,518 1.794,519 3.677,520 1.561,525 85.358,526 1.274,527 2.853,528 4.173,529 5.155,530 5.488,531 5.577,532 3.224,533 4.651,534 4.823,535 3.929,536 1595.08,537 8.39,538 23642.8,542 406.428,543 1.475,544 4.773,545 0.183,546 0.007,547 0.085,548 0.056,549 0.032,550 0.028,551 0.016,552 0.01,553 0.01,554 0.011,555 0.438,556 0.17,557 0.88,558 1.81,559 152.121,560 -0.097,561 0.118,562 -0.019,563 0.111,564 -0.097,565 0.065,566 0.074,567 -0.119,568 -0.068,569 -0.123,570 0.089,571 -0.119,572 -0.073,573 -0.059,574 -0.082,575 -0.061,576 -0.078,577 -0.072,578 -0.008,579 -0.077,580 -0.092,581 -0.083,582 -0.01,583 -0.099,584 -0.028,585 0.002,586 0.027,587 0.007,588 -0.036,589 0.024,590 0.03,591 -0.005,592 0.062,593 0.002,594 0.029,595 0.033,596 -0.078,597 -0.018,598 -0.115,599 -0.029,600 -0.065,601 -0.072,602 -0.068,603 0.06,604 0.008,605 0.06,606 -0.075,607 0.048,608 2.416,609 4.426,610 0.379,611 36.887,612 0.991,613 1.133,614 2.985,615 8.908,616 0.608,617 3.434,618 3.689,619 3.85,620 4.007,621 4.078,622 4.007,623 3.97,624 3.989,625 4.06,626 4.127,627 8.119,628 0.561,629 406.62,630 3.434,631 4.934,632 5.733,633 6.569,634 7.392,635 8.236,636 9.071,637 9.921,638 10.765,639 11.62,651 4,656 2,658 6,670 67,671 7,672 1,673 30,675 68,676 24,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,691 14,693 7,694 17,695 2,696 1,698 1,701 1,707 38,708 5,709 4,710 5,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,752 1,756 29,759 4,760 11,764 5,773 7.5,774 3,775 1,776 1,779 16.167,780 11.217,781 6.611,782 4.438,785 0.993,786 1.145,787 0.832,788 10.3,789 7.845,790 3.555,791 3.942,792 4.23,793 4.542,794 4.833,795 4.627,796 4.558,797 4.613,798 4.752,799 4.836,800 1,801 38,802 10.91,803 4.615,804 7.885,805 21.182,806 17.837,807 2.385,808 69.167,812 400.217,813 81.891,816 195.878,819 81.891,820 596.096,822 8.825,823 27.88,824 165.955,825 68.738,826 6.371,828 400.217,830 400.217,831 81.891,832 195.878,835 306.049,836 161.997,837 128.05,839 36.705,840 45.186,843 400.217,844 195.878,845 81.891,848 400.217,849 35.161,850 46.73,852 195.878,853 400.217,854 195.878,855 81.891,857 0.567,858 0.31,859 0.156,860 0.08,861 14,862 8,863 0.191,864 13,866 1,867 4.148,868 220.93,870 11,871 138.881,874 24.014,875 12.439,876 8.177,878 195.878,879 8.238,884 2.515,886 170.733,887 677.987,888 34,890 10.553,893 -0.75,895 66.425,896 75.936,897 0.21,898 0.47,899 0.688,900 0.85,901 0.905,902 0.919,903 4.783,904 1.519,905 5.694,906 3.871,907 4.369,908 4.625,909 2.258,910 6.428,911 4.338,912 5.898,913 1.414,914 7.213,915 3.444,916 3.892,917 4.248,918 2.243,919 7.248,920 3.81,921 7.141,922 1.124,923 8.838,924 2.985,925 5.883,926 6.471,927 3.628,928 10.32,929 5.825,930 8.412,931 0.822,932 10.529,933 2.461,934 6.236,935 6.897,936 4.112,937 12.053,938 6.134,939 9.718,940 0.542,941 12.263,942 1.859,943 7.703,944 8.666,945 5.201,946 14.649,947 7.616,948 11.048,949 0.239,950 14.031,951 1.215,952 8.462,953 9.478,954 5.889,955 16.76,956 8.341,957 12.398,958 -0.166,959 15.822,960 0.523,961 9.717,962 11.061,963 6.849,964 19.198,965 9.599,966 3.148,967 -0.286,968 17.633,969 -0.372,970 10.673,971 12.075,972 7.625,973 21.461,974 10.528,975 2.8,976 10.723,977 19.459,978 -0.627,979 11.844,980 13.563,981 8.526,982 23.847,983 11.692,984 2.344,985 8.556,986 21.297,987 3.774,988 12.894,989 14.692,990 9.342,991 26.171,992 12.718,993 2.236,994 6.307,995 23.145,996 3.148,997 14.034,998 16.123,999 10.216,1000 28.541,1001 13.846,1002 2.038,1003 5.945,1004 25.001,1005 2.71,1006 15.127,1007 17.323,1008 11.051,1009 30.89,1010 14.918,1011 1.776,1012 5.184,1013 26.863,1014 2.375,1015 16.259,1016 18.717,1017 11.912,1018 33.258,1019 16.034,1020 1.598,1021 4.755,1022 28.73,1023 2.083,1024 17.373,1025 19.962,1026 12.755,1027 35.618,1028 17.127,1029 11471,1030 17958,1031 19.186,1032 40.739,1033 43.375,1034 43.892,1035 44.878,1036 43.345,1037 43.2,1038 48.649,1039 4.682,1040 115.655,1041 42.401,1042 5.142,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.774,1048 3.925,1049 17.488,1050 5.088,1051 17.84,1052 1.446,1053 1.463,1054 1.496,1055 1.445,1056 1.44,1057 1.622,1058 0.156,1059 3.855,1060 1.413,1061 3.996,1062 4.035,1063 3.899,1064 3.915,1065 7.474,1066 3.906,1067 3.926,1068 3.959,1069 3.837,1070 3.845,1071 6.465,1072 3.838,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 6.448,1078 3.599,1079 3.644,1080 3.693,1081 3.507,1082 3.501,1083 6.433,1084 3.493,1085 3.502,1086 3.547,1087 3.365,1088 3.319,1089 6.351,1090 3.318,1091 3.278,1092 3.351,1093 3.094,1094 3.131,1095 4.74,1096 3.111,1097 3.193,1098 3.256,1099 3.025,1100 3.019,1101 4.207,1102 2.994,1103 3.169,1104 3.243,1105 2.96,1106 2.963,1107 4.046,1108 2.969,1109 0.139,1110 0.12,1111 0.223,1112 0.138,1113 0.105,1114 4.162,1115 0.126,1116 3.596,1117 0.078,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.774,1124 2.341,1125 10.723,1126 3.088,1127 1.951,1128 1.922,1129 2.09,1130 2.037,1131 1.47,1132 2.056,1133 1.835,1134 1.787,1135 2.05,1136 1.976,1137 1.363,1138 2.003,1139 1.736,1140 1.685,1141 1.962,1142 1.9,1143 1.277,1144 1.922,1145 1.617,1146 1.569,1147 1.849,1148 1.806,1149 1.185,1150 1.818,1151 1.536,1152 1.488,1153 1.772,1154 1.735,1155 1.07,1156 1.747,1157 1.4,1158 1.348,1159 1.669,1160 1.622,1161 0.968,1162 1.632,1163 1.215,1164 1.147,1165 1.553,1166 1.431,1167 0.793,1168 1.47,1169 1.197,1170 1.119,1171 1.507,1172 1.418,1173 0.604,1174 1.457,1175 4.111,1177 5.38,1178 2.398,1179 6.817,1180 4.844,1181 8.337,1182 6.986,1183 9.908,1185 2.088,1189 39.841,1190 7.928,1194 -1.245,1199 37.583,1200 85.358,1201 191.182,1202 279.595,1203 345.408,1204 367.673,1205 373.673,1206 113.775,1207 6.852,1208 97.99,1209 97.99,1210 11,1211 12.177,1212 3,1213 2.322,1214 65.78,1215 136,1216 150,1217 0.224,1218 234.471,1219 421.53,1220 563.87,1221 9104,1223 21.225,1224 0.732,1225 0.609,1226 21.225,1227 17.671,1228 13.88,1229 0.463,1230 0.373,1231 11.104,1232 13.525,1233 10.856,1234 8.989,1235 13.88,1236 11.186,1237 12.185,1238 0.312,1239 0.224,1240 12.185,1241 8.741,1242 9.136,1243 0.199,1244 0.142,1245 9.136,1246 6.541,1247 7.005,1248 0.13,1249 0.088,1250 7.005,1251 4.732,1252 5.054,1253 0.087,1254 0.055,1255 5.054,1256 3.176,1257 0.364,1258 86.166,1259 0.228,1260 28.472,1261 0.578,1262 138,1263 354.334,1264 148.739,1265 336.028,1266 429.2,1267 310,1268 154,1269 280.485,1270 162.306,1271 282.908,1272 404.27,1273 267,1274 6.201}
{0 CHEMBL376053,1 1.256,2 12.448,3 6.398,4 40.933,5 119.308,6 7.255,7 0.581,8 4.029,9 4.128,10 3.566,11 3.657,12 5.178,13 3.614,14 4.499,15 4.639,16 3.855,17 3.999,18 5.683,19 3.929,20 4.732,21 4.913,22 3.867,23 4.112,24 5.752,25 4.01,26 4.811,27 5.03,28 3.76,29 4.072,30 5.737,31 3.946,32 4.754,33 4.973,34 3.774,35 4.052,36 5.706,37 3.932,38 4.795,39 5.02,40 3.815,41 4.061,42 5.817,43 3.952,44 4.746,45 4.95,46 3.794,47 4.068,48 5.8,49 3.956,50 4.775,51 5.01,52 3.733,53 4.048,54 5.706,55 3.918,56 0.038,57 0.605,58 10.5,59 5.186,60 9.206,61 6.529,62 0.191,63 0.972,64 18.058,65 8.36,66 37.986,67 10.756,68 0.142,69 1.237,70 23.94,71 10.695,72 32.628,73 13.95,74 0.236,75 1.337,76 27.577,77 11.566,78 37.232,79 15.199,80 0.154,81 1.274,82 25.561,83 11.086,84 29.502,85 14.826,86 0.233,87 1.314,88 27.364,89 11.371,90 43.803,91 14.986,92 0.189,93 1.254,94 25.164,95 10.853,96 45.31,97 14.239,98 0.196,99 1.303,100 26.697,101 11.367,102 40.08,103 15.31,104 13,105 40,106 0.207,107 0.514,108 0.705,109 0.835,110 0.873,111 0.886,112 3.407,113 0.924,114 -6.26,115 -6.1,116 -5.67,118 49.1,119 1,120 1,124 1,129 4,133 12,134 5,135 1,145 1,150 1,153 1,154 23,155 1,158 4,160 1,162 1,164 27,165 1,167 6,170 1,171 24,172 1,175 5,179 1,180 18,181 2,184 5,189 2,192 20,193 3,196 4,200 3,202 23,203 2,206 4,210 2,211 25,212 1,215 4,219 1,222 24,223 1,226 3,230 1,233 20,234 1,236 1524,237 19.69,238 19.69,239 19.69,240 19.69,241 19.69,242 16.915,243 16.826,244 12.138,245 19.807,246 15.341,247 15.341,248 15.341,249 15.341,250 15.341,251 11.25,252 19.683,253 5.818,254 15.534,255 4.472,256 2.607,257 1.451,258 0.663,259 0.429,260 0.354,261 4.094,266 1,267 759,268 3.606,271 306.66,277 1.843,278 19.436,280 0.75,281 0.83,282 0.83,283 0.5,284 0.5,285 0.83,286 1,287 0.75,288 61,289 361,290 4.273,291 3.474,292 6.173,293 3.885,294 2.907,295 3.913,296 1.437,297 9.178,298 2.86,299 4.234,300 3.21,301 6.137,302 3.839,303 2.843,304 3.873,305 1.151,306 9.034,307 2.816,308 3.892,309 2.843,310 5.34,311 3.5,312 2.509,313 3.442,314 0.68,315 6.966,316 2.486,317 3.634,318 2.774,319 4.956,320 3.207,321 2.201,322 2.885,324 5.808,325 2.188,326 3.474,327 2.395,328 4.693,329 3.113,330 2.127,331 2.791,333 5.237,334 2.095,335 3.18,336 2.172,337 4.443,338 2.752,339 1.773,340 2.343,342 4.51,343 1.73,344 2.96,345 1.703,346 4.344,347 2.564,348 1.577,349 2.115,351 4.196,352 1.549,353 2.943,354 1.594,355 3.642,356 2.474,357 1.476,358 2.111,360 3.135,361 1.471,362 2.871,363 1.488,364 3.634,365 2.443,366 1.447,367 2.015,369 3.085,370 1.44,371 2.548,372 1.178,373 3.384,374 2,375 1,376 1.5,378 2.263,379 1,380 2.5,381 1.063,382 3.247,383 2,384 1,385 1.462,387 2.136,388 1,389 2.31,390 1,391 3.162,392 1.653,393 0.735,394 0.942,395 1.68,396 0.666,397 1.97,398 0.877,399 2.946,400 1.59,401 0.592,402 0.866,403 1.295,404 0.586,405 1.417,406 0.443,407 2.719,408 1.097,409 0.115,410 0.145,411 0.274,412 0.112,413 1.139,414 0.371,415 2.395,416 0.844,417 -0.137,418 -0.166,419 -0.32,420 -0.134,421 14,422 0.483,423 0.558,424 0.019,425 39.5,426 1.362,427 23,428 0.793,429 16.5,430 0.569,431 21.093,432 0.727,433 29.8,434 0.562,435 29.899,436 1.031,437 8.358,438 0.288,439 5.756,440 0.198,441 0.083,443 0.25,447 0.775,448 0.964,449 0.828,450 0.955,451 0.757,452 0.906,453 0.713,454 1.037,455 0.935,456 1.037,457 0.449,458 1.016,459 0.882,460 1.136,461 1.06,462 1.137,463 0.737,464 1.123,465 1.065,466 1.013,467 1.066,468 1.018,469 0.676,470 1.038,471 0.764,472 1.048,473 0.95,474 1.047,475 0.546,476 1.025,477 1.042,478 0.885,479 0.911,480 0.882,481 0.867,482 0.881,483 0.966,484 1.032,485 1.035,486 1.035,487 1.118,488 1.042,489 0.783,490 0.924,491 0.919,492 0.929,493 0.766,494 0.939,495 5,496 0.169,497 2.667,498 1,499 1.027,500 0.785,501 0.448,502 0.384,503 0.238,504 0.188,505 11353,506 30215,507 2.053,508 45.3,509 5,510 18,513 1,517 1.72,518 1.955,519 3.6,520 -0.473,525 66.574,526 1.256,527 3.121,528 4.277,529 5.065,530 5.299,531 5.374,532 3.069,533 4.418,534 4.829,535 3.783,536 1535.8,537 8.414,538 22028.6,542 303.58,543 1.233,544 4.804,545 0.161,546 0.007,547 0.067,548 0.026,549 0.03,550 0.022,551 0.012,552 0.011,553 0.007,554 0.006,555 0.35,556 0.5,557 0.88,558 1.009,559 150.101,560 -0.033,561 0.036,562 0.022,563 0.037,564 -0.094,565 0.036,566 0.134,567 -0.044,568 -0.037,569 -0.051,570 0.214,571 -0.062,572 -0.047,573 -0.152,574 -0.129,575 -0.154,576 -0.049,577 -0.152,578 -0.085,579 -0.033,580 -0.083,581 -0.037,582 -0.054,583 -0.056,584 0.009,585 -0.068,586 0.009,587 -0.061,588 0.052,589 -0.032,590 -0.044,591 0.096,592 0.082,593 0.1,594 0.039,595 0.106,596 -0.065,597 -0.05,598 -0.076,599 -0.052,600 -0.07,601 -0.064,602 -0.015,603 0.056,604 0.054,605 0.059,606 -0.032,607 0.064,608 2.622,609 3.798,610 0.621,611 30.44,612 0.992,613 1.106,614 5.033,615 25.333,616 0.689,617 3.466,618 3.714,619 3.892,620 4.078,621 4.277,622 4.205,623 4.234,624 4.344,625 4.419,626 4.466,627 7.435,628 0.65,629 384.5,630 3.466,631 4.963,632 5.765,633 6.597,634 7.418,635 8.253,636 9.081,637 9.92,638 10.751,639 11.591,651 12,656 6,658 18,668 1,670 53,671 21,672 3,673 31,675 55,676 26,677 18,678 6,679 12,680 5,681 3,682 3,685 1,691 1,693 23,694 3,696 3,698 1,699 4,701 1,707 24,708 3,709 1,710 3,717 1,718 3,731 3,739 1,741 4,746 1,748 3,752 1,756 29,759 1,760 2,762 1,773 5.7,775 1,776 1,778 1,779 14.833,780 9.617,781 6.556,782 3.036,785 4.521,786 1.625,787 0.957,788 7.293,789 11.758,790 3.784,791 4.324,792 4.834,793 5.335,794 5.851,795 5.884,796 6.147,797 6.504,798 6.877,799 7.222,800 1,801 39,802 10.666,803 4.344,804 7.747,805 20.397,806 16.074,807 2.247,808 65.167,812 270.735,813 189.653,816 78.828,819 189.653,820 349.564,822 8.825,823 7.127,824 151.62,825 68.738,826 32.171,828 270.735,830 270.735,831 189.653,832 78.828,835 270.735,836 78.828,839 15.952,840 135.796,841 37.905,843 270.735,844 78.828,845 189.653,848 270.735,849 29.208,850 160.445,852 78.828,853 270.735,854 78.828,855 189.653,857 0.562,858 0.307,859 0.161,860 0.092,861 16,862 7,863 0.145,864 8,866 1,867 4.19,868 232.943,870 18,871 134.881,874 20.474,875 10.33,876 6.391,878 78.828,879 24.043,884 6.165,886 42.683,887 539.217,888 43,890 10.798,891 6.869,893 -0.955,895 52.585,896 58.611,897 0.219,898 0.545,899 0.747,900 0.884,901 0.925,902 0.938,903 4.966,904 1.476,905 5.7,906 4.196,907 4.394,908 5.011,909 2.164,910 6.402,911 4.369,912 6.148,913 1.447,914 7.188,915 3.135,916 3.761,917 4.543,919 7.096,920 3.727,921 7.415,922 1,923 8.774,924 3.085,925 5.878,926 7.121,927 2.599,928 10.141,929 5.83,930 8.715,931 1,932 10.421,933 2.263,934 6.066,935 7.467,937 11.709,938 6.004,939 10.045,940 0.735,941 12.11,942 2.136,943 7.619,944 9.483,945 3.154,946 14.235,947 7.547,948 11.396,949 0.592,950 13.829,951 1.68,952 8.219,953 10.249,955 16.168,956 8.13,957 12.765,958 0.115,959 15.568,960 1.295,961 9.511,962 11.983,963 3.774,964 18.503,965 9.413,966 2.907,967 -0.137,968 17.324,969 0.274,970 10.328,971 12.989,973 20.592,974 10.212,975 2.843,976 9.178,977 19.093,978 -0.32,979 11.492,980 14.565,981 4.432,982 22.853,983 11.368,984 2.509,985 9.034,986 20.87,987 3.913,988 12.423,989 15.712,991 25.008,992 12.281,993 2.201,994 6.966,995 22.656,996 3.873,997 13.527,998 17.197,999 5.115,1000 27.239,1001 13.374,1002 2.127,1003 5.808,1004 24.447,1005 3.442,1006 14.517,1007 18.427,1009 29.424,1010 14.348,1011 1.773,1012 5.237,1013 26.243,1014 2.885,1015 15.593,1016 19.858,1017 5.813,1018 31.642,1019 15.412,1020 1.577,1021 4.51,1022 28.043,1023 2.791,1024 16.614,1025 21.139,1027 33.84,1028 16.417,1029 11074,1030 18195,1031 20.86,1032 36.5,1033 45.575,1034 45.718,1035 45.38,1036 44.595,1037 44.603,1038 60.81,1039 6.535,1040 117.593,1041 44.001,1042 5.11,1043 5.474,1044 5.975,1045 4.934,1046 4.907,1047 6.913,1048 2.873,1049 15.479,1050 4.86,1051 12.746,1052 1.47,1053 1.475,1054 1.464,1055 1.439,1056 1.439,1057 1.962,1058 0.211,1059 3.793,1060 1.419,1061 4.011,1062 4.034,1063 3.95,1064 3.954,1065 7.476,1066 3.949,1067 3.923,1068 3.947,1069 3.865,1070 3.867,1071 6.351,1072 3.863,1073 3.873,1074 3.903,1075 3.802,1076 3.823,1077 4.879,1078 3.814,1079 3.554,1080 3.568,1081 3.49,1082 3.408,1083 4.773,1084 3.413,1085 3.455,1086 3.503,1087 3.331,1088 3.348,1089 4.712,1090 3.342,1091 3.28,1092 3.325,1093 3.152,1094 3.095,1095 4.315,1096 3.099,1097 3.065,1098 3.142,1099 2.899,1100 2.935,1101 4.243,1102 2.915,1103 2.98,1104 3.01,1105 2.87,1106 2.829,1107 4.131,1108 2.814,1109 0.138,1110 0.112,1111 0.199,1112 0.125,1113 0.094,1114 4.273,1115 0.126,1116 3.474,1117 0.046,1118 6.173,1119 0.296,1120 3.885,1121 0.092,1122 2.907,1123 3.913,1124 1.437,1125 9.178,1126 2.86,1127 1.976,1128 1.954,1129 2.084,1130 2.053,1131 1.24,1132 2.063,1133 1.924,1134 1.902,1135 2.039,1136 2.004,1137 1.144,1138 2.017,1139 1.885,1140 1.858,1141 2.01,1142 1.96,1143 1.121,1144 1.979,1145 1.508,1146 1.475,1147 1.719,1148 1.68,1149 0.853,1150 1.675,1151 1.453,1152 1.417,1153 1.621,1154 1.612,1155 0.627,1156 1.626,1157 1.244,1158 1.196,1159 1.517,1160 1.475,1161 0.611,1162 1.487,1163 1.094,1164 1.025,1165 1.407,1166 1.294,1167 0.528,1168 1.339,1169 0.965,1170 0.908,1171 1.233,1172 1.161,1173 0.341,1174 1.167,1175 4.143,1177 5.407,1179 6.858,1181 8.395,1183 9.976,1185 2.07,1189 8.861,1190 1.256,1192 6.059,1199 34.466,1200 66.574,1201 165.399,1202 226.686,1203 268.46,1204 280.825,1205 284.825,1206 48.839,1207 7.237,1208 46.53,1209 46.53,1210 18,1211 12.158,1212 4.459,1213 3.7,1214 52.433,1215 128,1216 121,1217 0.193,1218 214.851,1219 383.27,1220 515.997,1221 15367,1223 20.476,1224 0.706,1225 0.566,1226 20.476,1227 16.416,1228 14.114,1229 0.455,1230 0.308,1231 9.482,1232 13.839,1233 9.186,1234 7.709,1235 14.114,1236 9.545,1237 12.226,1238 0.306,1239 0.17,1240 12.226,1241 6.792,1242 9.404,1243 0.196,1244 0.094,1245 9.404,1246 4.49,1247 7.455,1248 0.129,1249 0.052,1250 7.455,1251 3.032,1252 6.14,1253 0.086,1254 0.029,1255 6.14,1256 2.04,1257 0.309,1258 86.748,1259 0.219,1260 28.05,1261 0.511,1262 142,1263 393.621,1264 149.971,1265 387.555,1266 523.02,1267 362,1268 159,1269 372.121,1270 165.644,1271 383.968,1272 548.6,1273 360,1274 6.301}
{0 CHEMBL37853,1 1.47,2 13.724,3 3.014,4 9.083,5 112.752,6 7.327,7 0.2,8 4.129,9 4.229,10 3.633,11 3.628,12 5.248,13 3.595,14 4.676,15 4.823,16 3.979,17 4.025,18 5.82,19 3.954,20 5.041,21 5.256,22 4,23 4.153,24 6.091,25 4.041,26 5.035,27 5.275,28 3.919,29 4.093,30 6.093,31 3.963,32 4.968,33 5.214,34 3.812,35 4.039,36 5.974,37 3.912,38 4.949,39 5.179,40 3.867,41 4.027,42 6.026,43 3.913,44 4.99,45 5.222,46 3.871,47 3.992,48 6.122,49 3.873,50 4.922,51 5.176,52 3.68,53 3.92,54 5.913,55 3.786,56 0.127,57 0.717,58 12.876,59 6.082,60 29.527,61 7.478,62 0.31,63 1.158,64 23.88,65 10.138,66 67.811,67 12.974,68 0.729,69 1.456,70 39.765,71 13.247,72 117.018,73 17.558,74 0.786,75 1.43,76 40.041,77 12.972,78 122,79 17.664,80 0.58,81 1.354,82 36.294,83 12.195,84 101.033,85 16.66,86 0.615,87 1.323,88 36.123,89 11.995,90 111.58,91 16.208,92 0.93,93 1.314,94 38.961,95 11.893,96 142.874,97 16.024,98 0.817,99 1.217,100 36.988,101 11.154,102 115.504,103 15.188,104 44,105 39,106 0.244,107 0.598,108 0.823,109 0.927,110 0.938,111 0.938,112 3.407,113 1.022,114 -3.6,115 -3.57,116 -3.4,118 37.9,120 5,121 2,124 1,125 3,129 4,133 4,135 2,145 1,150 1,153 1,154 11,155 1,158 3,160 1,162 6,164 15,165 1,167 3,168 1,170 6,171 11,172 1,175 4,178 1,179 6,180 9,181 1,184 2,189 7,192 8,193 1,196 2,199 1,200 6,202 8,203 1,206 3,208 1,209 1,210 6,211 9,212 1,215 2,217 1,219 4,222 8,223 1,226 2,230 5,231 1,233 8,234 2,236 1707,237 19.035,238 19.035,239 19.035,240 19.035,241 19.035,242 17.637,243 21.387,244 11.652,245 19.405,246 14.804,247 14.804,248 14.804,249 14.804,250 14.804,251 12.731,252 22.184,253 5.587,254 15.498,255 4.388,256 2.259,257 0.901,258 0.276,259 0.207,260 0.207,261 4.071,262 1,265 1,266 1,267 807,268 4.359,270 99.812,271 114.521,277 2.542,278 45.148,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.333,289 398,290 4.172,291 3.596,292 6.682,293 4.13,294 3.148,295 3.648,296 2.341,297 10.723,298 3.088,299 4.044,300 3.337,301 5.512,302 3.592,303 2.666,304 3.21,305 0.86,306 7.462,307 2.448,308 3.552,309 3.075,310 5.353,311 3.291,312 2.35,313 2.713,314 0.765,315 6.306,316 2.224,317 3.507,318 2.859,319 5.024,320 3.241,321 2.236,322 2.622,324 5.961,325 2.204,326 3.287,327 2.537,328 4.726,329 2.999,330 2.046,331 2.49,333 5.24,334 1.946,335 3.202,336 2.375,337 4.661,338 2.826,339 1.942,340 2.265,342 5.184,343 1.731,344 2.972,345 2.147,346 4.655,347 2.746,348 1.771,349 1.973,351 4.746,352 1.632,353 2.704,354 1.91,355 3.796,356 2.565,357 1.585,358 1.755,360 3.446,361 1.543,362 2.657,363 1.543,364 3.506,365 2.182,366 1.213,367 1.666,369 2.637,370 1.149,371 2.335,372 1.409,373 3.466,374 2.106,375 1.122,376 1.255,378 2.457,379 1.097,380 2.171,381 1.127,382 3.211,383 1.785,384 0.817,385 1.005,387 1.859,388 0.785,389 1.63,390 1.039,391 2.937,392 1.427,393 0.506,394 0.55,395 1.157,396 0.458,397 1.403,398 0.736,399 2.615,400 1.184,401 0.221,402 0.246,403 0.483,404 0.212,405 1.006,406 0.414,407 2.363,408 0.738,409 -0.23,410 -0.261,411 -0.534,412 -0.219,413 0.928,414 0.209,415 2.263,416 0.439,417 -0.399,418 -0.501,419 -0.882,420 -0.256,421 13.714,422 0.473,423 0.723,424 0.025,425 27,426 0.931,427 10,428 0.345,429 17,430 0.586,431 31.194,432 1.076,433 34.286,434 0.591,435 20.858,436 0.719,437 5.22,438 0.18,439 8.643,440 0.298,441 0.174,443 0.292,447 0.898,448 1.163,449 0.768,450 1.058,451 0.915,452 1.014,453 0.763,454 1.339,455 0.849,456 1.232,457 0.659,458 1.201,459 1.024,460 1.064,461 0.989,462 1.035,463 0.999,464 1.06,465 0.857,466 0.993,467 0.847,468 0.974,469 0.824,470 0.995,471 0.894,472 0.967,473 0.802,474 0.923,475 0.902,476 0.944,477 0.89,478 1.072,479 0.889,480 1.044,481 0.89,482 1.025,483 1.017,484 0.983,485 0.905,486 0.964,487 0.994,488 0.999,489 1.085,490 0.775,491 0.924,492 0.78,493 0.995,494 0.854,495 6,496 0.234,497 2.889,498 2.139,499 1.152,500 0.781,501 0.576,502 0.309,503 0.262,504 0.274,505 11421,506 37483,507 1.938,508 50,509 6,510 13,513 4,514 2,515 2,516 2,517 1.717,518 1.794,519 3.696,520 1.629,521 1,522 1,525 85.264,526 1.47,527 3.599,528 4.957,529 5.582,530 5.651,531 5.651,532 3.224,533 4.651,534 4.822,535 3.947,536 1602.33,537 8.388,538 23822.6,540 1,541 1,542 339.763,543 1.475,544 4.773,545 0.2,546 0.008,547 0.074,548 0.058,549 0.035,550 0.024,551 0.017,552 0.01,553 0.01,554 0.009,555 0.445,556 0.17,557 0.88,558 1.81,559 152.337,560 -0.111,561 0.095,562 -0.021,563 0.091,564 -0.132,565 0.06,566 0.014,567 -0.175,568 -0.058,569 -0.144,570 0.061,571 -0.154,572 -0.072,573 -0.059,574 -0.075,575 -0.05,576 -0.093,577 -0.075,578 0.02,579 -0.018,580 0.022,581 -0.018,582 0.012,583 -0.014,584 -0.063,585 0.013,586 0.021,587 0.028,588 -0.045,589 0.04,590 -0.005,591 -0.082,592 -0.011,593 -0.075,594 0.005,595 -0.039,596 0.029,597 -0.029,598 -0.003,599 -0.03,600 0.007,601 -0.044,602 -0.084,603 0.154,604 -0.008,605 0.143,606 -0.089,607 0.102,608 2.476,609 4.255,610 0.379,611 37.493,612 1.009,613 1.128,614 2.369,615 5.613,616 0.638,617 3.434,618 3.689,619 3.829,620 4.007,621 4.078,622 4.007,623 3.989,624 3.989,625 4.06,626 4.078,627 8.19,628 0.604,629 424.96,630 3.434,631 4.934,632 5.727,633 6.564,634 7.38,635 8.224,636 9.054,637 9.904,638 10.743,639 11.598,651 4,656 2,658 6,668 1,669 1,670 58,671 9,672 1,673 30,675 59,676 22,677 6,678 2,679 4,681 2,682 2,683 1,688 3,689 2,691 8,693 11,694 11,695 2,696 3,698 1,699 4,701 1,704 1,707 29,708 6,709 4,710 7,711 1,717 1,718 6,719 3,730 1,731 1,739 1,741 4,746 4,748 2,753 1,756 29,759 4,760 6,762 1,764 5,772 1,773 10.3,774 3,775 1,776 1,778 1,779 16.167,780 9.36,781 6.583,782 3.411,785 1.865,786 1.272,787 0.829,788 10.012,789 8.718,790 3.611,791 4.016,792 4.321,793 4.688,794 5.006,795 4.974,796 4.972,797 5.103,798 5.327,799 5.496,800 1,801 37,802 10.831,803 4.607,804 8.096,805 20.248,806 16.517,807 2.596,808 75.278,811 1,812 294.278,813 102.729,815 39.149,816 206.878,819 102.729,820 540.304,823 17.265,824 203.86,825 68.738,826 19.744,828 294.278,829 39.149,830 294.278,831 102.729,832 206.878,833 39.149,835 247.193,836 125.913,837 128.05,839 17.265,840 47.559,841 77.054,843 294.278,844 206.878,845 141.878,848 294.278,849 26.919,850 75.81,852 246.027,853 294.278,854 206.878,855 141.878,857 0.567,858 0.303,859 0.155,860 0.081,861 14,862 8,863 0.186,864 11,866 1,867 4.163,868 220.055,870 11,871 140.881,874 23.744,875 12.229,876 8.386,878 206.878,879 6.903,884 1.113,886 170.733,887 643.033,888 36,890 10.504,891 7.165,893 -0.809,895 58.542,896 65.428,897 0.251,898 0.614,899 0.846,900 0.953,901 0.965,902 0.965,903 4.832,904 1.585,905 5.687,906 4.746,907 4.369,908 4.7,909 2.502,910 6.409,911 4.279,912 5.967,913 1.213,914 7.195,915 3.446,916 3.892,917 4.248,918 2.243,919 7.182,920 3.698,921 7.21,922 1.122,923 8.805,924 2.637,925 5.872,926 6.564,927 3.674,928 10.249,929 5.714,930 8.478,931 0.817,932 10.477,933 2.457,934 6.196,935 6.848,936 4.112,937 11.946,938 5.958,939 9.775,940 0.506,941 12.193,942 1.859,943 7.664,944 8.701,945 5.208,946 14.549,947 7.452,948 11.092,949 0.221,950 13.942,951 1.157,952 8.395,953 9.361,954 5.889,955 16.657,956 8.132,957 12.426,958 -0.23,959 15.718,960 0.483,961 9.652,962 10.999,963 6.849,964 19.105,965 9.4,966 3.148,967 -0.399,968 17.517,969 -0.534,970 10.591,971 11.878,972 7.625,973 21.378,974 10.309,975 2.666,976 10.723,977 19.334,978 -0.882,979 11.764,980 13.397,981 8.526,982 23.775,983 11.483,984 2.35,985 7.462,986 21.167,987 3.648,988 12.807,989 14.412,990 9.342,991 26.11,992 12.506,993 2.236,994 6.306,995 23.012,996 3.21,997 13.95,998 15.856,999 10.216,1000 28.49,1001 13.644,1002 2.046,1003 5.961,1004 24.868,1005 2.713,1006 15.043,1007 16.96,1008 11.051,1009 30.848,1010 14.722,1011 1.942,1012 5.24,1013 26.733,1014 2.622,1015 16.178,1016 18.356,1017 11.912,1018 33.222,1019 15.849,1020 1.771,1021 5.184,1022 28.604,1023 2.49,1024 17.295,1025 19.519,1026 12.755,1027 35.589,1028 16.952,1029 11560,1030 21031,1031 19.186,1032 37.006,1033 44.071,1034 44.528,1035 44.686,1036 43.538,1037 43.243,1038 50.793,1039 7.931,1040 115.322,1041 41.031,1042 5.085,1043 5.596,1044 6.506,1045 5.179,1046 5.148,1047 6.648,1048 3.925,1049 17.488,1050 5.088,1051 17.922,1052 1.469,1053 1.484,1054 1.49,1055 1.451,1056 1.441,1057 1.693,1058 0.264,1059 3.844,1060 1.368,1061 3.979,1062 4.012,1063 3.996,1064 3.88,1065 7.474,1066 3.876,1067 3.889,1068 3.908,1069 3.866,1070 3.82,1071 6.465,1072 3.814,1073 3.741,1074 3.787,1075 3.619,1076 3.617,1077 6.449,1078 3.607,1079 3.61,1080 3.646,1081 3.524,1082 3.458,1083 6.434,1084 3.459,1085 3.484,1086 3.518,1087 3.381,1088 3.31,1089 6.351,1090 3.315,1091 3.17,1092 3.215,1093 3.307,1094 2.97,1095 4.978,1096 2.975,1097 3.156,1098 3.205,1099 3.006,1100 2.921,1101 4.553,1102 2.93,1103 2.946,1104 2.977,1105 2.984,1106 2.799,1107 4.421,1108 2.772,1109 0.139,1110 0.12,1111 0.223,1112 0.138,1113 0.105,1114 4.172,1115 0.122,1116 3.596,1117 0.078,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.648,1124 2.341,1125 10.723,1126 3.088,1127 1.87,1128 1.852,1129 2.017,1130 1.976,1131 1.352,1132 1.985,1133 1.826,1134 1.787,1135 1.964,1136 1.945,1137 1.233,1138 1.962,1139 1.719,1140 1.677,1141 1.911,1142 1.869,1143 1.155,1144 1.884,1145 1.599,1146 1.555,1147 1.822,1148 1.793,1149 1.055,1150 1.801,1151 1.481,1152 1.438,1153 1.712,1154 1.697,1155 0.966,1156 1.7,1157 1.343,1158 1.305,1159 1.572,1160 1.567,1161 0.775,1162 1.563,1163 1.048,1164 0.996,1165 1.347,1166 1.318,1167 0.538,1168 1.323,1169 0.92,1170 0.876,1171 1.211,1172 1.216,1173 0.342,1174 1.209,1175 4.111,1177 5.38,1178 2.398,1179 6.81,1180 4.844,1181 8.322,1182 6.986,1183 9.883,1186 5.897,1189 39.276,1190 2.296,1192 5.507,1194 -2.575,1199 35.018,1200 85.264,1201 208.766,1202 287.498,1203 323.763,1204 327.763,1205 327.763,1206 109.606,1207 6.852,1208 107.22,1209 107.22,1210 11,1211 12.157,1212 3.322,1213 2.807,1214 65.794,1215 137,1216 150,1217 0.222,1218 221.761,1219 405.65,1220 532.857,1221 9104,1222 1.7,1223 21.225,1224 0.732,1225 0.586,1226 21.725,1227 16.987,1228 13.863,1229 0.462,1230 0.341,1231 9.756,1232 13.071,1233 9.571,1234 7.861,1235 14.152,1236 10.22,1237 12.301,1238 0.315,1239 0.199,1240 12.709,1241 7.762,1242 8.93,1243 0.198,1244 0.117,1245 9.192,1246 5.26,1247 7.027,1248 0.13,1249 0.068,1250 7.296,1251 3.68,1252 5.067,1253 0.087,1254 0.039,1255 5.244,1256 2.273,1257 0.362,1258 90.149,1259 0.228,1260 28.517,1261 0.572,1262 138,1263 444.273,1264 167.802,1265 444.403,1266 559.48,1267 410,1268 153,1269 345.802,1270 174.829,1271 354.558,1272 509.63,1273 334,1274 8.35}
{0 CHEMBL383484,1 1.695,2 9.387,3 4.386,4 19.234,5 119.164,6 8.679,7 0.471,8 4.074,9 4.152,10 3.887,11 3.724,12 5.183,13 3.671,14 4.642,15 4.771,16 4.234,17 4.148,18 5.972,19 4.091,20 4.924,21 5.076,22 4.278,23 4.301,24 6.102,25 4.223,26 4.999,27 5.176,28 4.313,29 4.354,30 6.094,31 4.27,32 5.07,33 5.247,34 4.453,35 4.425,36 6.182,37 4.344,38 5.156,39 5.319,40 4.467,41 4.475,42 6.464,43 4.385,44 5.202,45 5.379,46 4.305,47 4.436,48 6.398,49 4.321,50 5.187,51 5.419,52 4.206,53 4.266,54 6.37,55 4.121,56 0.12,57 0.704,58 10.828,59 5.627,60 25.515,61 6.045,62 0.394,63 1.209,64 21.787,65 9.806,66 79.976,67 11.313,68 0.574,69 1.533,70 31.192,71 12.503,72 104.694,73 14.043,74 0.578,75 1.704,76 31.771,77 12.954,78 81.945,79 15.506,80 0.56,81 1.813,82 33.985,83 14.641,84 86.419,85 17.687,86 0.847,87 1.907,88 42.602,89 16.854,90 155.34,91 19.326,92 0.812,93 1.951,94 43.691,95 17.426,96 160.432,97 19.411,98 0.883,99 1.83,100 49.407,101 17.649,102 163.543,103 20.883,104 75,105 52,106 0.278,107 0.638,108 0.808,109 0.856,110 0.856,111 0.856,112 3.473,113 1.076,114 -4.51,115 -4.44,116 -4.18,118 43.4,119 1,120 3,121 1,123 1,124 1,133 6,134 4,135 2,142 2,144 1,145 1,150 1,153 1,154 11,155 1,157 1,158 8,160 1,162 1,164 15,165 1,167 13,170 1,171 13,172 1,174 1,175 9,176 1,179 1,180 12,181 2,183 1,184 6,187 1,189 2,192 20,193 1,195 4,196 9,200 1,202 23,203 3,206 11,210 3,211 14,212 3,215 9,216 1,219 3,222 6,223 3,225 1,226 7,227 2,228 1,230 3,233 5,236 1599,237 19.919,238 19.919,239 19.919,240 19.919,241 19.919,242 17.372,243 22.227,244 11.281,245 20.341,246 16.801,247 16.801,248 16.801,249 16.801,250 16.801,251 12.707,252 22.867,253 5.396,254 17.593,255 4.033,256 1.842,257 0.812,258 0.519,259 0.519,260 0.519,261 4.159,262 1,265 1,266 1,267 614,268 4.359,270 110.933,271 152.08,273 90.937,274 101.973,276 140.01,277 1.328,278 51.875,280 1,281 0.83,282 1,283 0.8,284 0.5,285 1,286 1,287 0.88,288 67.833,289 291,290 4.914,291 5.181,292 7.285,293 4.461,294 3.498,295 4.885,296 2.95,297 13.013,298 3.387,299 4.731,300 3.694,301 7.092,302 4.154,303 3.275,304 4.573,305 2.341,306 11.672,307 2.906,308 4.112,309 3.601,310 6.429,311 3.803,312 2.805,313 3.623,314 1.277,315 9.792,316 2.717,317 4.014,318 3.44,319 5.847,320 3.593,321 2.624,322 3.556,323 0.522,324 7.911,325 2.541,326 3.689,327 2.968,328 5.599,329 3.396,330 2.384,331 3.026,333 7.399,334 2.401,335 3.55,336 2.753,337 5.303,338 3.126,339 2.21,340 2.796,342 6.475,343 2.024,344 3.405,345 2.677,346 4.987,347 3.02,348 2.018,349 2.643,351 5.554,352 1.974,353 3.264,354 2.452,355 4.865,356 2.824,357 1.88,358 2.488,360 5.427,361 1.698,362 3.06,363 2.216,364 4.617,365 2.584,366 1.59,367 2.23,369 4.654,370 1.567,371 2.627,372 1.73,373 4.342,374 2.269,375 1.286,376 1.617,378 3.854,379 1.255,380 2.5,381 1.403,382 3.909,383 2.061,384 1.04,385 1.5,387 2.729,388 1.057,389 2.44,390 1.029,391 3.671,392 2,393 1,394 1.372,395 2.275,396 1,397 1.901,398 1,399 3.414,400 1.748,401 0.766,402 0.847,403 2.027,404 0.745,405 1.419,406 0.799,407 3.135,408 1.073,409 0.145,410 0.176,411 0.365,412 0.122,413 1.04,414 0.723,415 2.839,416 0.728,417 -0.257,418 -0.289,419 -0.702,420 -0.235,421 15.114,422 0.488,423 1.2,424 0.039,425 39.25,426 1.266,427 20,428 0.645,429 19.25,430 0.621,431 30.954,432 0.999,433 33.486,434 0.632,435 33.391,436 1.077,437 7.287,438 0.235,439 7.271,440 0.235,441 0.224,442 0.055,443 0.39,447 0.549,448 1.142,449 0.701,450 1.049,451 0.63,452 0.882,453 0.521,454 1.077,455 0.776,456 0.968,457 0.432,458 0.866,459 1.06,460 1.109,461 0.996,462 0.965,463 1.009,464 1.029,465 0.835,466 0.998,467 0.826,468 0.877,469 0.753,470 0.993,471 0.664,472 1.01,473 0.634,474 0.925,475 0.717,476 0.944,477 0.765,478 1.091,479 0.963,480 1.147,481 0.822,482 1.098,483 1.131,484 1.129,485 1.029,486 1.137,487 1.214,488 1.205,489 1.072,490 0.972,491 0.855,492 0.924,493 1.141,494 0.992,495 8.5,496 0.132,497 3.778,498 2.764,499 2.487,500 2.438,501 1.315,502 0.823,503 0.732,504 0.392,505 10381,506 37011,507 2.001,508 41.5,509 4,510 11,513 1,514 6,517 1.749,518 1.797,519 3.152,520 -0.329,522 1,525 89.821,526 1.695,527 3.886,528 4.916,529 5.209,530 5.209,531 5.209,532 2.636,533 4.454,534 4.92,535 3.345,536 1555.64,537 8.667,538 21034.2,542 303.58,543 1.721,544 4.837,545 0.25,546 0.007,547 0.073,548 0.052,549 0.045,550 0.04,551 0.021,552 0.016,553 0.019,554 0.013,555 0.536,556 0.17,557 1,558 1.15,559 155.919,560 0.024,561 -0.022,562 0.115,563 0.015,564 -0.089,565 0.052,566 0.152,567 0.001,568 0.037,569 0.024,570 0.225,571 0.084,572 -0.187,573 -0.081,574 -0.161,575 -0.036,576 -0.134,577 -0.092,578 -0.091,579 0.061,580 -0.077,581 0.002,582 -0.066,583 -0.053,584 0.053,585 0.015,586 0.096,587 0.003,588 -0.006,589 0.027,590 0.095,591 -0.084,592 -0.093,593 -0.15,594 0.076,595 -0.124,596 -0.174,597 -0.153,598 -0.201,599 -0.171,600 -0.172,601 -0.235,602 -0.077,603 -0.062,604 0.084,605 0.037,606 -0.092,607 0.038,608 4.442,609 5.554,610 0.581,611 29.438,612 1.016,613 1.113,614 3.281,615 10.764,616 0.701,617 3.555,618 3.97,619 4.248,620 4.615,621 4.963,622 5.226,623 5.468,624 5.631,625 5.759,626 5.823,627 5.842,628 0.668,629 459.98,630 3.555,631 5.153,632 6.028,633 6.963,634 7.877,635 8.822,636 9.755,637 10.707,638 11.651,639 12.606,640 1.9,645 1,650 2,651 6,656 6,657 1,658 16,660 1,669 1,670 53,671 20,672 2,673 34,675 56,676 23,677 14,678 6,679 6,680 1,681 4,682 7,683 1,685 1,688 2,689 1,691 3,693 16,694 7,695 1,696 4,697 1,698 4,701 2,704 1,707 22,708 5,709 1,710 8,711 2,714 1,717 0.5,718 5,727 1,730 2,731 2,733 1,734 1,736 1,739 1,746 1,748 2,750 1,752 2,753 1,756 31,757 1,759 1,760 4,764 1,772 1,773 9.4,775 1,776 4,779 17.25,780 10.21,781 6.472,782 3.126,785 3.22,786 1.399,787 0.982,788 5.652,789 11.297,790 3.85,791 4.551,792 5.117,793 5.792,794 6.447,795 6.953,796 7.477,797 7.91,798 8.25,799 8.577,800 1,801 53,802 11.792,803 5.504,804 8.114,805 21.7,806 18.872,807 2.614,808 81.028,811 1,812 247.193,813 116.754,814 1.899,815 39.149,816 137.286,818 6.046,819 110.708,820 423.628,821 1.899,822 16.016,823 9.709,824 62.903,825 143.33,826 19.08,827 4.901,828 247.193,829 39.149,830 247.193,831 112.607,832 137.286,833 45.195,835 247.193,836 137.286,839 20.434,840 92.173,841 45.195,843 247.193,844 139.185,845 155.902,847 6.046,848 247.193,849 37.835,850 74.772,852 176.435,853 247.193,854 139.185,855 155.902,857 0.605,858 0.331,859 0.18,860 0.118,861 27,862 14,863 0.107,864 6,865 2,866 1.222,867 3.863,868 306.036,869 0.222,870 18,871 147.58,873 1,874 21.915,875 7.995,876 4.113,877 1.375,878 137.286,879 10.396,884 3.793,885 1.997,886 42.683,887 542.281,888 46,889 -3.525,890 48.611,893 -1.122,895 53.858,896 58.977,897 0.296,898 0.678,899 0.858,900 0.909,901 0.909,902 0.909,903 5.142,904 1.88,905 6.094,906 5.554,907 4.654,908 5.239,909 3.427,910 7.015,911 4.57,912 6.425,913 1.59,914 7.728,915 5.427,916 4.575,917 5.472,918 2.243,919 8.247,920 4.382,921 7.806,922 1.286,923 9.468,924 4.654,925 6.392,926 7.622,927 5.271,928 11.345,929 6.209,930 9.224,931 1.04,932 11.271,933 3.854,934 7.066,935 8.627,936 4.112,937 13.377,938 6.775,939 10.675,940 1,941 13.114,942 2.729,943 8.466,944 10.374,945 7.319,946 16.077,947 8.169,948 12.151,949 0.766,950 14.985,951 2.275,952 9.456,953 11.702,954 5.889,955 18.42,956 9.072,957 13.646,958 0.145,959 16.877,960 2.027,961 10.723,962 13.32,963 9.428,964 21,965 10.316,966 3.498,967 -0.257,968 18.786,969 0.365,970 11.848,971 14.784,972 7.625,973 23.463,974 11.375,975 3.275,976 13.013,977 20.706,978 -0.702,979 13.077,980 16.362,981 11.561,982 26.011,983 12.573,984 2.805,985 11.672,986 22.637,987 4.885,988 14.26,989 17.884,990 9.342,991 28.522,992 13.706,993 2.624,994 9.792,995 24.576,996 4.573,997 15.482,998 19.451,999 13.706,1000 31.063,1001 14.894,1002 2.384,1003 7.911,1004 26.521,1005 3.623,1006 16.69,1007 20.998,1008 11.051,1009 33.594,1010 16.063,1011 2.21,1012 7.399,1013 28.471,1014 3.556,1015 17.914,1016 22.564,1017 15.858,1018 36.138,1019 17.256,1020 2.018,1021 6.475,1022 30.426,1023 3.026,1024 19.136,1025 24.123,1026 12.755,1027 38.679,1028 18.444,1029 10278,1030 19491,1031 21.501,1032 37.159,1033 53.371,1034 56.476,1035 55.342,1036 53.293,1037 53.042,1038 70.661,1039 14.18,1040 166.293,1041 50.788,1042 5.806,1043 7.181,1044 6.699,1045 5.509,1046 5.498,1047 7.885,1048 5.9,1049 20.682,1050 5.387,1051 20.486,1052 1.57,1053 1.661,1054 1.628,1055 1.567,1056 1.56,1057 2.078,1058 0.417,1059 4.891,1060 1.494,1061 4.24,1062 4.256,1063 4.738,1064 4.197,1065 7.716,1066 4.171,1067 3.953,1068 3.935,1069 4.147,1070 3.933,1071 7.474,1072 3.857,1073 3.875,1074 3.885,1075 3.974,1076 3.833,1077 7.428,1078 3.797,1079 3.68,1080 3.69,1081 3.634,1082 3.574,1083 6.999,1084 3.549,1085 3.489,1086 3.513,1087 3.434,1088 3.293,1089 6.351,1090 3.31,1091 3.316,1092 3.365,1093 3.376,1094 3.119,1095 4.952,1096 3.12,1097 3.234,1098 3.284,1099 3.187,1100 3.086,1101 4.835,1102 3.082,1103 2.894,1104 2.953,1105 2.989,1106 2.776,1107 4.33,1108 2.76,1109 0.145,1110 0.152,1111 0.214,1112 0.131,1113 0.103,1114 4.914,1115 0.144,1116 5.181,1117 0.087,1118 7.285,1119 0.383,1120 4.461,1121 0.1,1122 3.498,1123 4.885,1124 2.95,1125 13.013,1126 3.387,1127 2.028,1128 2.035,1129 2.055,1130 2.094,1131 1.338,1132 2.112,1133 1.908,1134 1.887,1135 1.983,1136 1.98,1137 1.251,1138 2.003,1139 1.71,1140 1.685,1141 1.881,1142 1.858,1143 1.171,1144 1.872,1145 1.611,1146 1.629,1147 1.735,1148 1.744,1149 1.011,1150 1.784,1151 1.561,1152 1.518,1153 1.645,1154 1.693,1155 0.903,1156 1.716,1157 1.347,1158 1.294,1159 1.573,1160 1.581,1161 0.701,1162 1.587,1163 1.21,1164 1.169,1165 1.457,1166 1.466,1167 0.634,1168 1.461,1169 1.029,1170 0.992,1171 1.248,1172 1.233,1173 0.433,1174 1.246,1175 4.234,1177 5.624,1178 3.045,1179 7.188,1180 5.533,1181 8.842,1182 7.758,1183 10.554,1185 2.538,1186 6.016,1189 9.422,1190 1.726,1194 -0.2,1199 35.405,1200 89.821,1201 205.957,1202 260.56,1203 276.07,1204 276.07,1205 276.07,1206 86.267,1207 8.077,1208 93.44,1209 101.82,1210 22,1211 13.094,1212 4.392,1213 3.7,1214 48.774,1215 105,1216 130,1217 0.23,1218 221.713,1219 389.23,1220 532.741,1221 31924,1222 1.9,1223 22.499,1224 0.726,1225 0.605,1226 23.249,1227 18.756,1228 14.558,1229 0.428,1230 0.359,1231 10.022,1232 13.052,1233 9.504,1234 7.797,1235 15.741,1236 12.191,1237 14.917,1238 0.287,1239 0.203,1240 16.712,1241 10.557,1242 11.147,1243 0.162,1244 0.105,1245 12.165,1246 7.234,1247 9.613,1248 0.096,1249 0.054,1250 10.269,1251 5.353,1252 8.614,1253 0.061,1254 0.03,1255 9.448,1256 4.289,1257 0.343,1258 102.734,1259 0.216,1260 28.078,1261 0.693,1262 172,1263 539.801,1264 233.759,1265 568.807,1266 743.98,1267 520,1268 207,1269 484.412,1270 266.906,1271 532.869,1272 775.16,1273 498,1274 4.699}
{0 CHEMBL385126,1 1.649,2 8.821,3 5.065,4 25.656,5 105.626,6 8.508,7 0.516,8 3.959,9 4.05,10 3.628,11 3.579,12 5.132,13 3.558,14 4.508,15 4.648,16 4.061,17 4.013,18 5.741,19 3.974,20 4.799,21 4.967,22 4.119,23 4.16,24 5.923,25 4.096,26 4.864,27 5.053,28 4.142,29 4.193,30 5.943,31 4.13,32 4.936,33 5.12,34 4.225,35 4.237,36 6.191,37 4.179,38 4.997,39 5.194,40 4.135,41 4.25,42 6.145,43 4.169,44 4.945,45 5.142,46 4.052,47 4.178,48 6.146,49 4.085,50 4.901,51 5.13,52 3.987,53 3.973,54 6.173,55 3.876,56 0.084,57 0.669,58 7.477,59 4.472,60 16.119,61 5.151,62 0.258,63 1.146,64 15.631,65 7.86,66 45.816,67 9.565,68 0.478,69 1.489,70 25.997,71 10.593,72 85.745,73 12.384,74 0.472,75 1.601,76 27.501,77 10.909,78 60.365,79 13.463,80 0.678,81 1.742,82 27.698,83 12.072,84 100.068,85 14.81,86 0.672,87 1.812,88 34.15,89 13.615,90 123.329,91 16.06,92 0.582,93 1.684,94 30.416,95 13.034,96 107.189,97 15.344,98 0.604,99 1.476,100 33.932,101 12.582,102 101.58,103 15.203,104 42,105 46,106 0.279,107 0.652,108 0.81,109 0.866,110 0.866,111 0.866,112 3.376,113 0.924,114 -5.3,115 -5.19,116 -4.85,118 46.8,119 1,120 3,121 1,124 1,133 6,134 4,135 2,142 2,144 1,145 1,150 1,153 1,154 11,155 1,158 8,160 1,162 1,164 15,165 1,167 9,170 1,171 13,172 1,174 1,175 5,176 1,179 1,180 12,181 2,183 1,184 4,187 1,189 2,192 20,193 1,196 5,200 1,202 23,203 3,206 7,210 3,211 14,212 3,215 5,216 1,219 3,222 6,223 3,225 1,226 3,228 1,230 3,233 5,236 1272,237 18.447,238 18.447,239 18.447,240 18.447,241 18.447,242 16.149,243 20.702,244 10.631,245 18.688,246 15.326,247 15.326,248 15.326,249 15.326,250 15.326,251 11.722,252 21.045,253 5.088,254 15.813,255 3.906,256 1.703,257 0.772,258 0.442,259 0.442,260 0.442,261 4.066,262 1,265 1,266 1,267 528,268 3.606,270 95.424,271 134.501,273 78.428,274 89.725,276 122.116,277 1.145,278 42.188,280 1,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.9,288 61.333,289 247,290 4.862,291 3.702,292 7.26,293 4.443,294 3.47,295 4.831,296 2.341,297 12.975,298 3.382,299 4.153,300 3.605,301 6.447,302 3.856,303 2.855,304 3.646,305 1.277,306 9.879,307 2.858,308 4.015,309 3.44,310 5.854,311 3.598,312 2.629,313 3.592,314 0.522,315 7.949,316 2.546,317 3.724,318 2.97,319 5.608,320 3.401,321 2.388,322 3.138,324 7.408,325 2.408,326 3.618,327 2.91,328 5.317,329 3.221,330 2.291,331 2.831,333 6.599,334 2.122,335 3.44,336 2.688,337 5.008,338 3.051,339 2.106,340 2.718,342 5.771,343 1.977,344 3.339,345 2.485,346 4.932,347 2.937,348 1.962,349 2.548,351 5.461,352 1.849,353 3.211,354 2.216,355 4.841,356 2.794,357 1.838,358 2.421,360 5.31,361 1.693,362 2.655,363 1.707,364 4.343,365 2.329,366 1.338,367 1.645,369 3.885,370 1.313,371 2.5,372 1.401,373 3.908,374 2.061,375 1.04,376 1.5,378 2.729,379 1.058,380 2.441,381 1.014,382 3.668,383 2,384 1,385 1.375,387 2.275,388 1,389 1.911,390 1,391 3.414,392 1.763,393 0.782,394 0.861,395 2.052,396 0.76,397 1.438,398 0.729,399 3.045,400 1.092,401 0.168,402 0.204,403 0.423,404 0.142,405 1.096,406 0.643,407 2.696,408 0.768,409 -0.204,410 -0.237,411 -0.554,412 -0.19,413 0.965,414 0.319,415 2.636,416 0.573,417 -0.316,418 -0.378,419 -0.803,420 -0.247,421 13.4,422 0.479,423 0.912,424 0.033,425 34.5,426 1.232,427 17,428 0.607,429 17.5,430 0.625,431 26.511,432 0.947,433 29.8,434 0.634,435 27.37,436 0.978,437 6.696,438 0.239,439 6.65,440 0.237,441 0.187,443 0.44,445 1,447 0.602,448 0.976,449 0.593,450 0.886,451 0.574,452 0.845,453 0.509,454 1.001,455 0.618,456 0.905,457 0.419,458 0.88,459 0.965,460 1.059,461 0.991,462 0.995,463 0.934,464 1.033,465 0.75,466 0.97,467 0.865,468 0.968,469 0.659,470 0.991,471 0.694,472 0.974,473 0.674,474 0.974,475 0.759,476 0.997,477 1.042,478 1.035,479 0.933,480 1.036,481 1.126,482 1.062,483 1.044,484 1.082,485 0.887,486 1.087,487 1.129,488 1.145,489 1.089,490 1.045,491 0.862,492 1.03,493 1.167,494 1.019,495 6.5,496 0.099,497 2.889,498 2.514,499 2.207,500 1.744,501 0.973,502 0.607,503 0.608,504 0.192,505 8122,506 28206,507 2.051,508 40.4,509 4,510 8,513 1,514 6,517 1.722,518 1.867,519 3.072,520 -0.358,525 77.493,526 1.649,527 3.852,528 4.783,529 5.113,530 5.113,531 5.113,532 2.455,533 4.307,534 4.774,535 3.245,536 1226.55,537 8.369,538 15515.6,540 1,542 261.066,543 1.531,544 4.711,545 0.21,546 0.014,547 0.063,548 0.053,549 0.045,550 0.034,551 0.021,552 0.015,553 0.018,554 0.009,555 0.481,556 0.33,557 1,558 1.092,559 136.154,560 -0.04,561 -0.011,562 0.008,563 0.046,564 -0.038,565 0.046,566 0.085,567 -0.046,568 0.08,569 0.032,570 0.141,571 0.052,572 -0.142,573 -0.078,574 -0.139,575 -0.044,576 -0.124,577 -0.089,578 -0.048,579 -0.02,580 -0.074,581 -0.047,582 -0.021,583 -0.043,584 0.129,585 0.016,586 0.028,587 -0.044,588 0.082,589 -0.044,590 -0.099,591 0.012,592 -0.102,593 -0.061,594 -0.144,595 -0.075,596 -0.107,597 -0.071,598 -0.094,599 -0.117,600 -0.124,601 -0.156,602 -0.054,603 -0.155,604 0.12,605 -0.044,606 -0.06,607 0.009,608 2.529,609 6.243,610 0.643,611 23.602,612 1.016,613 1.118,614 4.07,615 16.563,616 0.697,617 3.466,618 3.85,619 4.159,620 4.554,621 4.875,622 5.088,623 5.318,624 5.455,625 5.549,626 5.595,627 5.487,628 0.673,629 399.87,630 3.466,631 5.043,632 5.922,633 6.849,634 7.764,635 8.704,636 9.637,637 10.584,638 11.527,639 12.478,640 2.1,645 1,650 2,651 6,656 6,657 1,658 16,660 1,669 2,670 47,671 18,672 2,673 31,675 50,676 22,677 14,678 6,679 6,680 1,681 4,682 7,683 1,685 1,688 2,689 1,691 3,693 16,694 6,695 1,696 2,698 2,701 2,705 1,707 19,708 4,709 1,710 6,711 1,714 1,717 0.5,718 3,727 1,730 2,731 2,733 1,734 1,736 1,739 1,746 1,748 2,752 1,753 1,754 1,756 28,759 1,760 4,764 1,772 2,773 6.4,775 1,776 2,779 15,780 8.852,781 5.972,782 2.898,785 3.175,786 1.403,787 0.987,788 4.923,789 11.052,790 3.738,791 4.404,792 5.023,793 5.721,794 6.344,795 6.768,796 7.259,797 7.673,798 7.985,799 8.295,800 0.833,801 47,802 10.464,803 4.702,804 8.075,805 19.546,806 16.809,807 2.575,808 72.111,811 1,812 211.88,813 111.088,814 1.899,815 39.149,816 92.973,817 14.96,819 111.088,820 344.002,821 16.859,822 8.825,823 9.709,824 56.857,825 99.017,826 26.65,827 19.861,828 211.88,829 39.149,830 211.88,831 112.987,832 107.933,833 39.149,835 226.84,836 92.973,839 20.434,840 92.553,841 39.149,843 226.84,844 94.872,845 150.236,848 211.88,849 45.405,850 67.582,852 147.082,853 211.88,854 109.832,855 150.236,857 0.594,858 0.335,859 0.196,860 0.126,861 24,862 12,863 0.1,864 5,865 2,866 1.222,867 3.719,868 264.169,869 0.222,870 18,871 130.606,874 19.012,875 7.251,876 3.452,877 1.394,878 107.933,879 10.121,884 3.335,885 2.005,886 42.683,887 471.948,888 41,890 23.634,893 -1.077,895 47.756,896 52.562,897 0.297,898 0.693,899 0.861,900 0.92,901 0.92,902 0.92,903 5.011,904 1.838,905 5.948,906 5.461,907 4.533,908 5.091,909 2.593,910 6.838,911 4.477,912 6.258,913 1.338,914 7.552,915 5.31,916 4.29,917 5.112,918 2.243,919 7.895,920 4.186,921 7.6,922 1.04,923 9.256,924 3.885,925 6.192,926 7.376,927 3.764,928 11.072,929 6.096,930 8.977,931 1,932 11.02,933 2.729,934 6.735,935 8.208,936 4.112,937 13.015,938 6.603,939 10.387,940 0.782,941 12.826,942 2.275,943 8.174,944 10.02,945 5.248,946 15.754,947 8.041,948 11.824,949 0.168,950 14.662,951 2.052,952 9.086,953 11.245,954 5.889,955 18.075,956 8.923,957 13.282,958 -0.204,959 16.523,960 0.423,961 10.366,962 12.894,963 6.863,964 20.68,965 10.191,966 3.47,967 -0.316,968 18.405,969 -0.554,970 11.454,971 14.31,972 7.625,973 23.149,974 11.25,975 2.855,976 12.975,977 20.303,978 -0.803,979 12.686,980 15.901,981 8.53,982 25.717,983 12.462,984 2.629,985 9.879,986 22.214,987 4.831,988 13.855,989 17.405,990 9.342,991 28.242,992 13.601,993 2.388,994 7.949,995 24.138,996 3.646,997 15.078,998 18.979,999 10.217,1000 30.801,1001 14.8,1002 2.291,1003 7.408,1004 26.07,1005 3.592,1006 16.283,1007 20.522,1008 11.051,1009 33.348,1010 15.977,1011 2.106,1012 6.599,1013 28.011,1014 3.138,1015 17.51,1016 22.093,1017 11.912,1018 35.906,1019 17.177,1020 1.962,1021 5.771,1022 29.958,1023 2.831,1024 18.732,1025 23.653,1026 12.755,1027 38.462,1028 18.371,1029 7971,1030 14918,1031 20.115,1032 32.779,1033 48.229,1034 49.704,1035 50.132,1036 47.932,1037 47.734,1038 62.615,1039 8.28,1040 145.43,1041 46.214,1042 5.754,1043 5.702,1044 6.675,1045 5.48,1046 5.47,1047 7.831,1048 3.925,1049 20.619,1050 5.382,1051 16.67,1052 1.556,1053 1.603,1054 1.617,1055 1.546,1056 1.54,1057 2.02,1058 0.267,1059 4.691,1060 1.491,1061 4.212,1062 4.24,1063 4.186,1064 4.131,1065 8.201,1066 4.14,1067 3.89,1068 3.913,1069 3.978,1070 3.845,1071 7.474,1072 3.835,1073 3.754,1074 3.784,1075 3.679,1076 3.651,1077 7.428,1078 3.65,1079 3.49,1080 3.513,1081 3.445,1082 3.293,1083 6.351,1084 3.31,1085 3.377,1086 3.414,1087 3.382,1088 3.185,1089 4.95,1090 3.201,1091 3.302,1092 3.362,1093 3.28,1094 3.117,1095 4.816,1096 3.12,1097 2.957,1098 2.998,1099 3.069,1100 2.839,1101 4.32,1102 2.833,1103 2.854,1104 2.925,1105 2.752,1106 2.735,1107 4.173,1108 2.715,1109 0.157,1110 0.119,1111 0.234,1112 0.143,1113 0.112,1114 4.862,1115 0.156,1116 3.702,1117 0.076,1118 7.26,1119 0.419,1120 4.443,1121 0.109,1122 3.47,1123 4.831,1124 2.341,1125 12.975,1126 3.382,1127 1.978,1128 1.958,1129 2.053,1130 2.077,1131 1.315,1132 2.07,1133 1.892,1134 1.872,1135 1.98,1136 1.962,1137 1.192,1138 1.973,1139 1.7,1140 1.665,1141 1.88,1142 1.852,1143 1.165,1144 1.858,1145 1.561,1146 1.518,1147 1.734,1148 1.707,1149 0.979,1150 1.72,1151 1.357,1152 1.303,1153 1.624,1154 1.589,1155 0.701,1156 1.599,1157 1.255,1158 1.213,1159 1.471,1160 1.511,1161 0.657,1162 1.493,1163 1.049,1164 1.022,1165 1.251,1166 1.265,1167 0.434,1168 1.26,1169 0.886,1170 0.821,1171 1.181,1172 1.062,1173 0.218,1174 1.107,1175 4.143,1177 5.509,1178 3.045,1179 7.057,1180 5.533,1181 8.703,1182 7.758,1183 10.413,1185 1.424,1186 5.989,1187 14.243,1189 9.334,1190 1.866,1194 -0.157,1199 31.645,1200 77.493,1201 181.027,1202 224.801,1203 240.311,1204 240.311,1205 240.311,1206 67.513,1207 7.877,1208 59.3,1209 59.3,1210 22,1211 12.969,1212 4.248,1213 3.459,1214 41.882,1215 87,1216 112,1217 0.233,1218 194.196,1219 341.91,1220 465.598,1221 25657,1222 4.3,1223 19.999,1224 0.714,1225 0.575,1226 19.629,1227 16.093,1228 13.346,1229 0.431,1230 0.308,1231 9.101,1232 12.609,1233 8.843,1234 7.229,1235 13.241,1236 9.543,1237 12.959,1238 0.282,1239 0.169,1240 12.722,1241 7.752,1242 10.157,1243 0.161,1244 0.091,1245 10.172,1246 5.705,1247 9.178,1248 0.098,1249 0.048,1250 9.079,1251 4.467,1252 8.178,1253 0.063,1254 0.026,1255 7.95,1256 3.372,1257 0.347,1258 86.388,1259 0.223,1260 25.805,1261 0.705,1262 154,1263 511.58,1264 182.63,1265 497.787,1266 650.82,1267 460,1268 186,1269 440.02,1270 206.984,1271 449.597,1272 661.14,1273 424,1274 4.699}
{0 CHEMBL39746,1 1.308,2 13.833,3 3.816,4 14.561,5 115.747,6 6.215,7 0.194,8 4.267,9 4.387,10 3.628,11 3.733,12 5.282,13 3.682,14 4.86,15 5.042,16 3.943,17 4.154,18 5.841,19 4.055,20 5.231,21 5.476,22 3.997,23 4.322,24 6.101,25 4.183,26 5.309,27 5.569,28 3.937,29 4.339,30 6.2,31 4.174,32 5.323,33 5.602,34 3.88,35 4.319,36 6.135,37 4.14,38 5.295,39 5.573,40 3.92,41 4.264,42 6.217,43 4.099,44 5.244,45 5.513,46 3.814,47 4.203,48 6.185,49 4.039,50 5.182,51 5.462,52 3.694,53 4.144,54 6.026,55 3.968,56 0.088,57 0.861,58 16.862,59 7.3,60 21.36,61 9.677,62 0.285,63 1.407,64 30.315,65 12.073,66 56.872,67 16.654,68 0.467,69 1.785,70 43.606,71 15.363,72 84.485,73 22.013,74 0.676,75 1.859,76 47.17,77 16.072,78 109.675,79 23.322,80 0.567,81 1.851,82 47.354,83 16.071,84 95.056,85 23.578,86 0.738,87 1.761,88 46.462,89 15.244,90 118.292,91 22.436,92 0.736,93 1.653,94 44.492,95 14.218,96 120.815,97 20.81,98 0.608,99 1.558,100 41.413,101 13.471,102 97.833,103 19.782,104 47,105 40,106 0.211,107 0.477,108 0.687,109 0.848,110 0.896,111 0.906,112 3.439,113 1.093,114 -3.71,115 -3.68,116 -3.5,118 35.3,120 11,121 2,123 1,125 3,133 4,134 1,135 1,145 1,150 1,153 1,154 15,155 1,158 3,160 1,162 7,164 17,165 1,167 4,170 7,171 16,172 1,175 3,178 1,179 7,180 14,181 1,184 1,189 6,192 11,193 1,196 2,198 1,199 1,200 8,202 12,203 1,206 2,209 1,210 7,211 12,212 1,215 2,219 6,222 11,223 1,226 2,230 5,231 1,233 9,234 2,236 1820,237 19.957,238 19.957,239 19.957,240 19.957,241 19.957,242 18.999,243 16.078,244 12.191,245 20.241,246 15.22,247 15.22,248 15.22,249 15.22,250 15.22,251 13.768,252 12.892,253 5.71,254 15.621,255 4.779,256 3.136,257 1.836,258 0.839,259 0.541,260 0.482,261 4.105,265 1,266 1,267 840,268 4.472,270 102.458,271 118.711,277 2.567,278 42.68,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 66,289 415,290 4.194,291 3.596,292 6.682,293 4.13,294 3.148,295 3.8,296 2.341,297 10.723,298 3.088,299 4.148,300 3.258,301 6.131,302 3.814,303 2.842,304 3.148,305 0.86,306 8.986,307 2.761,308 3.55,309 3.125,310 5.354,311 3.306,312 2.349,313 2.71,315 6.312,316 2.242,317 3.363,318 2.599,319 5.028,320 3.241,321 2.236,322 2.377,324 5.957,325 2.223,326 3.045,327 2.313,328 4.663,329 2.998,330 2.039,331 2.094,333 5.184,334 1.951,335 2.917,336 2.05,337 4.657,338 2.757,339 1.777,340 2.062,342 4.758,343 1.733,344 2.901,345 1.909,346 4.378,347 2.595,348 1.625,349 2.007,351 4.214,352 1.573,353 2.787,354 1.73,355 3.796,356 2.536,357 1.57,358 1.787,360 3.445,361 1.509,362 2.607,363 1.547,364 3.631,365 2.451,366 1.465,367 1.603,369 3.054,370 1.435,371 2.169,372 1.324,373 3.479,374 2.109,375 1.124,376 1.151,378 2.461,379 1.1,380 1.93,381 0.977,382 3.207,383 1.819,384 0.825,385 0.883,387 1.861,388 0.817,389 1.725,390 0.941,391 2.951,392 1.551,393 0.599,394 0.662,395 1.262,396 0.563,397 1.501,398 0.707,399 2.699,400 1.331,401 0.409,402 0.437,403 0.708,404 0.372,405 1.273,406 0.592,407 2.569,408 1.18,409 0.212,410 0.219,411 0.431,412 0.205,413 0.847,414 0.307,415 2.351,416 0.744,417 -0.228,418 -0.232,419 -0.521,420 -0.218,421 14,422 0.467,423 0.668,424 0.022,425 25.25,426 0.842,427 8,428 0.267,429 17.25,430 0.575,431 37.322,432 1.244,433 37,434 0.544,435 17.406,436 0.58,437 4.214,438 0.14,439 10.204,440 0.34,441 0.155,443 0.286,447 0.92,448 1.283,449 1.032,450 1.269,451 0.899,452 1.184,453 0.745,454 1.314,455 1.057,456 1.314,457 0.62,458 1.253,459 0.937,460 1.102,461 1.024,462 1.101,463 0.95,464 1.081,465 0.926,466 1.046,467 1.051,468 1.055,469 0.863,470 1.074,471 0.862,472 1.001,473 0.973,474 1.006,475 0.854,476 1.01,477 0.814,478 0.972,479 0.903,480 0.972,481 0.855,482 0.956,483 1.085,484 0.953,485 1.045,486 0.958,487 1.063,488 0.99,489 1.051,490 0.898,491 1.018,492 0.906,493 1.071,494 0.949,495 5.5,496 0.257,497 3.333,498 2.139,499 1.112,500 0.955,501 0.576,502 0.278,503 0.262,504 0.329,505 12340,506 32294,507 1.94,508 55.9,509 14,510 10,513 4,514 2,515 6,516 2,517 1.726,518 1.8,519 3.698,520 1.564,525 88.977,526 1.308,527 2.951,528 4.252,529 5.249,530 5.547,531 5.606,532 3.219,533 4.774,534 4.873,535 3.959,536 1721.97,537 8.49,538 26191.2,542 413.947,543 1.457,544 4.825,545 0.177,546 0.007,547 0.083,548 0.053,549 0.031,550 0.028,551 0.016,552 0.009,553 0.009,554 0.01,555 0.426,556 0.17,557 0.88,558 1.87,559 159.082,560 -0.09,561 0.075,562 -0.011,563 0.073,564 -0.091,565 0.049,566 0.029,567 -0.104,568 -0.075,569 -0.109,570 0.076,571 -0.111,572 -0.067,573 -0.059,574 -0.052,575 -0.057,576 -0.073,577 -0.052,578 -0.035,579 -0.046,580 -0.083,581 -0.053,582 -0.018,583 -0.074,584 -0.049,585 -0.03,586 -0.026,587 -0.028,588 -0.053,589 -0.023,590 0.072,591 -0.017,592 0.057,593 -0.012,594 0.042,595 0.016,596 -0.057,597 -0.002,598 -0.058,599 -0.007,600 -0.036,601 -0.029,602 -0.104,603 0.045,604 -0.048,605 0.041,606 -0.112,607 0.011,608 2.423,609 4.458,610 0.367,611 38.489,612 0.996,613 1.134,614 2.481,615 6.154,616 0.606,617 3.466,618 3.714,619 3.892,620 4.06,621 4.127,622 4.06,623 4.043,624 4.025,625 4.094,626 4.174,627 8.293,628 0.563,629 422.62,630 3.466,631 4.963,632 5.765,633 6.603,634 7.428,635 8.274,636 9.112,637 9.963,638 10.809,639 11.665,651 4,656 2,658 6,668 1,670 68,671 7,672 1,673 31,675 69,676 24,677 6,678 2,679 4,681 2,682 2,688 3,689 2,691 14,693 7,694 17,695 2,696 1,698 1,701 1,707 38,708 6,709 4,710 6,717 1,718 6,719 3,730 1,731 1,739 1,746 4,748 2,752 1,756 30,759 4,760 11,762 1,764 5,773 8.8,774 3,775 1,776 1,778 1,779 16.667,780 11.383,781 6.944,782 4.396,785 1.049,786 1.151,787 0.828,788 10.973,789 7.99,790 3.584,791 3.961,792 4.273,793 4.604,794 4.896,795 4.735,796 4.733,797 4.699,798 4.828,799 4.917,800 1,801 40,802 11.269,803 4.748,804 7.922,805 21.716,806 18.081,807 2.422,808 72.667,812 400.217,813 86.007,816 206.878,819 86.007,820 607.096,822 10.883,823 27.88,824 165.955,825 68.738,826 19.429,828 400.217,830 400.217,831 86.007,832 206.878,835 306.049,836 172.997,837 128.05,839 27.88,840 58.127,843 400.217,844 206.878,845 86.007,848 400.217,849 37.219,850 48.788,852 206.878,853 400.217,854 206.878,855 86.007,857 0.561,858 0.314,859 0.163,860 0.082,861 14,862 8,863 0.203,864 14,866 1,867 4.221,868 232.002,870 11,871 147.207,874 24.966,875 13.186,876 8.402,878 206.878,879 7.823,884 1.915,886 170.733,887 693.102,888 35,890 10.562,893 -0.756,895 67.752,896 77.145,897 0.215,898 0.485,899 0.698,900 0.862,901 0.911,902 0.921,903 4.808,904 1.57,905 5.72,906 4.214,907 4.394,908 4.644,909 2.402,910 6.46,911 4.344,912 5.917,913 1.465,914 7.241,915 3.445,916 3.892,917 4.248,918 2.243,919 7.298,920 3.783,921 7.159,922 1.124,923 8.867,924 3.054,925 5.911,926 6.493,927 3.657,928 10.369,929 5.819,930 8.431,931 0.825,932 10.56,933 2.461,934 6.256,935 6.92,936 4.112,937 12.12,938 6.108,939 9.739,940 0.599,941 12.298,942 1.861,943 7.733,944 8.695,945 5.206,946 14.71,947 7.599,948 11.072,949 0.409,950 14.068,951 1.262,952 8.491,953 9.518,954 5.889,955 16.828,956 8.311,957 12.425,958 0.212,959 15.863,960 0.708,961 9.75,962 11.101,963 6.849,964 19.261,965 9.573,966 3.148,967 -0.228,968 17.677,969 0.431,970 10.708,971 12.131,972 7.625,973 21.523,974 10.495,975 2.842,976 10.723,977 19.505,978 -0.521,979 11.88,980 13.618,981 8.526,982 23.905,983 11.661,984 2.349,985 8.986,986 21.345,987 3.8,988 12.93,989 14.763,990 9.342,991 26.224,992 12.684,993 2.236,994 6.312,995 23.194,996 3.148,997 14.071,998 16.193,999 10.216,1000 28.59,1001 13.813,1002 2.039,1003 5.957,1004 25.05,1005 2.71,1006 15.164,1007 17.409,1008 11.051,1009 30.934,1010 14.883,1011 1.777,1012 5.184,1013 26.913,1014 2.377,1015 16.296,1016 18.804,1017 11.912,1018 33.297,1019 15.999,1020 1.625,1021 4.758,1022 28.78,1023 2.094,1024 17.409,1025 20.063,1026 12.755,1027 35.653,1028 17.093,1029 12517,1030 20301,1031 19.879,1032 41.194,1033 44.605,1034 45.317,1035 46.216,1036 44.537,1037 44.435,1038 49.88,1039 6.402,1040 118.711,1041 43.143,1042 5.174,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.8,1048 3.925,1049 17.488,1050 5.088,1051 18.321,1052 1.439,1053 1.462,1054 1.491,1055 1.437,1056 1.433,1057 1.609,1058 0.207,1059 3.829,1060 1.392,1061 3.993,1062 4.03,1063 3.897,1064 3.897,1065 7.474,1066 3.892,1067 3.918,1068 3.945,1069 3.835,1070 3.834,1071 6.465,1072 3.829,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 6.448,1078 3.599,1079 3.643,1080 3.69,1081 3.507,1082 3.498,1083 6.433,1084 3.491,1085 3.502,1086 3.547,1087 3.365,1088 3.319,1089 6.351,1090 3.318,1091 3.278,1092 3.351,1093 3.094,1094 3.13,1095 4.858,1096 3.111,1097 3.249,1098 3.315,1099 3.061,1100 2.967,1101 4.388,1102 2.976,1103 3.193,1104 3.243,1105 3.024,1106 2.963,1107 4.207,1108 2.969,1109 0.135,1110 0.116,1111 0.216,1112 0.133,1113 0.102,1114 4.194,1115 0.123,1116 3.596,1117 0.076,1118 6.682,1119 0.346,1120 4.13,1121 0.1,1122 3.148,1123 3.8,1124 2.341,1125 10.723,1126 3.088,1127 1.924,1128 1.898,1129 2.069,1130 2.026,1131 1.47,1132 2.04,1133 1.834,1134 1.786,1135 2.04,1136 1.974,1137 1.36,1138 1.999,1139 1.735,1140 1.684,1141 1.954,1142 1.898,1143 1.262,1144 1.918,1145 1.616,1146 1.569,1147 1.847,1148 1.806,1149 1.178,1150 1.817,1151 1.535,1152 1.487,1153 1.768,1154 1.734,1155 1.046,1156 1.745,1157 1.4,1158 1.348,1159 1.667,1160 1.622,1161 0.956,1162 1.632,1163 1.208,1164 1.144,1165 1.573,1166 1.513,1167 0.783,1168 1.533,1169 1.194,1170 1.12,1171 1.507,1172 1.43,1173 0.579,1174 1.458,1175 4.143,1177 5.407,1178 2.398,1179 6.845,1180 4.844,1181 8.369,1182 6.986,1183 9.944,1185 1.647,1189 39.908,1190 7.59,1192 5.361,1194 -1.384,1199 38.298,1200 88.977,1201 200.702,1202 289.114,1203 356.928,1204 377.193,1205 381.193,1206 120.685,1207 6.94,1208 107.22,1209 107.22,1210 11,1211 12.221,1212 3,1213 2.322,1214 69.482,1215 145,1216 159,1217 0.223,1218 238.468,1219 430.32,1220 573.621,1221 10271,1223 21.933,1224 0.731,1225 0.603,1226 21.933,1227 18.08,1228 14.418,1229 0.465,1230 0.364,1231 11.175,1232 13.91,1233 10.953,1234 9.062,1235 14.418,1236 11.299,1237 12.376,1238 0.309,1239 0.216,1240 12.376,1241 8.626,1242 9.438,1243 0.197,1244 0.135,1245 9.438,1246 6.472,1247 7.385,1248 0.13,1249 0.083,1250 7.385,1251 4.751,1252 5.329,1253 0.087,1254 0.052,1255 5.329,1256 3.197,1257 0.363,1258 90.51,1259 0.224,1260 29.251,1261 0.576,1262 142,1263 402.07,1264 155.618,1265 373.595,1266 477.1,1267 346,1268 159,1269 311.03,1270 170.296,1271 311.979,1272 446.7,1273 293,1274 5.23}
{0 CHEMBL39784,1 1.5,2 14.719,3 4.775,4 22.797,5 115.257,6 6.874,7 0.182,8 4.265,9 4.382,10 3.7,11 3.731,12 5.346,13 3.7,14 4.88,15 5.053,16 4.124,17 4.16,18 6.313,19 4.089,20 5.244,21 5.487,22 4.091,23 4.326,24 6.246,25 4.205,26 5.335,27 5.601,28 4.042,29 4.315,30 6.375,31 4.179,32 5.297,33 5.572,34 4.003,35 4.266,36 6.268,37 4.129,38 5.272,39 5.54,40 3.961,41 4.219,42 6.321,43 4.091,44 5.229,45 5.493,46 3.888,47 4.178,48 6.265,49 4.043,50 5.184,51 5.453,52 3.902,53 4.124,54 6.357,55 3.989,56 0.17,57 1.061,58 15.448,59 7.416,60 50.666,61 9.113,62 0.937,63 2.038,64 30.949,65 12.445,66 201.661,67 16.168,68 0.769,69 1.991,70 45.116,71 15.768,72 155.379,73 21.976,74 1.145,75 2.104,76 51.162,77 16.33,78 214.812,79 22.904,80 0.961,81 1.959,82 48.988,83 15.57,84 186.756,85 22.202,86 1.19,87 1.85,88 48.627,89 14.785,90 228.042,91 20.819,92 1.148,93 1.728,94 46.399,95 14.111,96 220.701,97 20.005,98 1.327,99 1.654,100 44.744,101 13.42,102 249.769,103 19.215,104 75,105 45,106 0.243,107 0.497,108 0.681,109 0.845,110 0.894,111 0.904,112 3.501,113 1.045,114 -4.79,115 -4.7,116 -4.42,118 35.8,120 11,121 2,125 3,127 1,133 4,134 2,145 1,150 1,153 1,154 17,155 1,158 1,160 1,162 7,164 20,165 1,167 1,170 7,171 18,172 1,175 1,178 1,179 7,180 14,181 1,184 1,189 7,192 12,193 1,196 1,199 1,200 8,202 13,203 1,206 1,209 1,210 7,211 13,212 1,215 1,219 6,222 12,223 1,226 1,230 6,231 1,233 11,234 2,236 2082,237 20.507,238 20.507,239 20.507,240 20.507,241 20.507,242 19.615,243 17.705,244 12.293,245 20.87,246 16.279,247 16.279,248 16.279,249 16.279,250 16.279,251 14.905,252 14.946,253 5.871,254 16.986,255 4.566,256 3.003,257 1.863,258 0.851,259 0.549,260 0.489,261 4.163,265 1,266 1,267 951,268 5,270 111.237,271 127.092,277 2.656,278 67.421,280 1,281 0.67,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.83,288 73.5,289 471,290 4.452,291 4.46,292 7.116,293 4.181,294 3.319,295 3.864,296 3.825,297 11.689,298 3.088,299 4.148,300 3.596,301 6.682,302 4.13,303 3.148,304 3.148,305 2.341,306 10.723,307 2.905,308 3.794,309 3.258,310 5.404,311 3.498,312 2.528,313 3.087,315 7.154,316 2.418,317 3.55,318 2.786,319 5.351,320 3.249,321 2.29,322 2.71,324 6.289,325 2.224,326 3.343,327 2.537,328 5,329 3.24,330 2.236,331 2.358,333 5.908,334 2.177,335 3.043,336 2.311,337 4.663,338 2.994,339 2.036,340 2.068,342 5.184,343 1.946,344 2.919,345 1.922,346 4.657,347 2.754,348 1.775,349 2.019,351 4.755,352 1.73,353 2.788,354 1.897,355 4.499,356 2.578,357 1.605,358 1.788,360 4.439,361 1.554,362 2.607,363 1.73,364 3.796,365 2.518,366 1.562,367 1.606,369 3.446,370 1.462,371 2.571,372 1.326,373 3.514,374 2.114,375 1.133,376 1.599,378 2.575,379 1.103,380 2.167,381 1.203,382 3.468,383 2.093,384 1.112,385 1.15,387 2.455,388 1.079,389 1.877,390 0.977,391 3.213,392 1.811,393 0.817,394 0.849,395 1.858,396 0.809,397 1.589,398 0.7,399 2.947,400 1.482,401 0.505,402 0.535,403 1.155,404 0.49,405 1.282,406 0.585,407 2.726,408 1.207,409 0.221,410 0.227,411 0.483,412 0.216,413 0.847,414 0.51,415 2.61,416 0.743,417 -0.231,418 -0.235,419 -0.535,420 -0.221,421 14.524,422 0.454,423 1.012,424 0.032,425 26,426 0.813,427 7.5,428 0.234,429 18.5,430 0.578,431 40.375,432 1.262,433 40.076,434 0.598,435 21.053,436 0.658,437 4.393,438 0.137,439 10.681,440 0.334,441 0.174,442 0.034,443 0.275,444 3,447 0.714,448 1.038,449 0.878,450 1.224,451 0.737,452 1.139,453 0.444,454 0.947,455 0.885,456 1.323,457 0.43,458 1.276,459 0.668,460 0.885,461 0.899,462 1.122,463 0.64,464 1.105,465 0.805,466 0.896,467 0.951,468 1.014,469 0.772,470 1.033,471 0.731,472 0.842,473 0.857,474 0.985,475 0.703,476 0.974,477 0.905,478 0.827,479 0.977,480 0.949,481 0.883,482 0.98,483 0.886,484 0.789,485 1.005,486 0.961,487 0.861,488 1.015,489 0.737,490 0.76,491 0.892,492 0.901,493 0.719,494 0.946,495 8,496 0.267,497 3.778,498 2.514,499 1.45,500 1.08,501 0.616,502 0.465,503 0.311,504 0.294,505 14742,506 49980,507 1.902,508 52.2,509 14,510 7,513 4,514 2,515 6,516 2,517 1.741,518 1.738,519 3.782,520 1.57,525 100.499,526 1.5,527 3.063,528 4.203,529 5.215,530 5.518,531 5.577,532 3.243,533 4.539,534 4.967,535 4.051,536 2009.35,537 8.673,538 32201.4,542 406.428,543 1.669,544 4.892,545 0.242,546 0.008,547 0.084,548 0.058,549 0.037,550 0.028,551 0.017,552 0.014,553 0.009,554 0.009,555 0.508,557 0.75,558 1.844,559 173.582,560 -0.074,561 0.061,562 -0.025,563 0.108,564 -0.091,565 0.067,566 0.289,567 0.159,568 0.009,569 -0.112,570 0.311,571 -0.144,572 -0.022,573 -0.11,574 -0.013,575 -0.09,576 -0.003,577 -0.061,578 -0.029,579 -0.059,580 -0.022,581 -0.039,582 -0.015,583 -0.032,584 -0.021,585 -0.077,586 0.057,587 -0.026,588 -0.011,589 0.026,590 -0.056,591 0.01,592 -0.027,593 0.002,594 -0.055,595 0.001,596 -0.063,597 -0.011,598 -0.064,599 -0.014,600 -0.063,601 -0.034,602 0.079,603 0.016,604 0.05,605 0.036,606 0.073,607 0.03,608 5.64,609 4.83,610 0.344,611 42.012,612 1.014,613 1.149,614 3.563,615 12.694,616 0.605,617 3.526,618 3.829,619 3.951,620 4.111,621 4.22,622 4.159,623 4.19,624 4.143,625 4.159,626 4.22,627 8.781,628 0.578,629 460.59,630 3.526,631 5.056,632 5.855,633 6.713,634 7.538,635 8.4,636 9.239,637 10.102,638 10.951,639 11.816,651 4,656 2,658 6,670 67,671 7,672 1,673 33,675 68,676 24,677 6,678 2,679 4,681 2,682 2,685 1,688 3,689 2,690 1,691 14,693 7,694 17,695 2,696 1,698 1,701 1,705 3,707 35,708 8,709 4,710 8,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,754 3,756 32,759 4,760 11,764 5,766 1,772 3,773 7.5,774 3,775 1,776 1,779 18.417,780 10.895,781 7.083,782 4.35,785 1.053,786 1.148,787 0.834,788 10.631,789 8.152,790 3.638,791 4.052,792 4.334,793 4.683,794 5.032,795 4.968,796 5.096,797 4.85,798 4.939,799 5.021,800 0.9,801 43,802 12.476,803 5.814,804 8.388,805 22.43,806 18.926,807 2.888,808 92.417,812 364.904,813 80.825,816 195.878,817 44.88,819 80.825,820 560.782,821 44.88,823 27.88,824 165.955,825 68.738,826 51.251,828 364.904,829 7.76,830 364.904,831 80.825,832 240.759,835 270.735,836 206.877,837 128.05,839 35.639,840 45.186,843 409.785,844 195.878,845 80.825,848 372.664,849 35.161,850 37.905,852 240.759,853 364.904,854 240.759,855 80.825,857 0.58,858 0.306,859 0.149,860 0.08,861 17,862 10,863 0.191,864 13,866 1,867 4.326,868 255.73,870 11,871 153.245,874 26.795,875 12.696,876 9.144,878 240.759,879 5.119,884 -0.172,886 170.733,887 686.488,888 37,890 10.545,893 -0.8,895 67.963,896 76.955,897 0.247,898 0.505,899 0.693,900 0.86,901 0.91,902 0.919,903 4.902,904 1.605,905 5.872,906 4.755,907 4.511,908 4.736,909 3.381,910 6.668,911 4.427,912 6.057,913 1.562,914 7.438,915 4.439,916 4.29,917 4.543,918 4.06,919 7.803,920 4.026,921 7.338,922 1.133,923 9.12,924 3.446,925 6.138,926 6.63,927 5.571,928 10.786,929 5.943,930 8.649,931 1.112,932 10.876,933 2.575,934 6.711,935 7.185,936 6.762,937 12.764,938 6.322,939 9.995,940 0.817,941 12.68,942 2.455,943 8.111,944 8.87,945 8.113,946 15.361,947 7.757,948 11.366,949 0.505,950 14.52,951 1.858,952 9.033,953 9.768,954 9.418,955 17.639,956 8.513,957 12.756,958 0.221,959 16.385,960 1.155,961 10.28,962 11.297,963 10.755,964 20.124,965 9.748,966 3.319,967 -0.231,968 18.27,969 0.483,970 11.352,971 12.374,972 12.086,973 22.504,974 10.69,975 3.148,976 11.689,977 20.17,978 -0.535,979 12.549,980 13.828,981 13.424,982 24.955,983 11.844,984 2.528,985 10.723,986 22.081,987 3.864,988 13.685,989 15.009,990 14.762,991 27.372,992 12.874,993 2.29,994 7.154,995 24,996 3.148,997 14.868,998 16.422,999 16.102,1000 29.814,1001 13.996,1002 2.236,1003 6.289,1004 25.926,1005 3.087,1006 16.03,1007 17.666,1008 17.443,1009 32.245,1010 15.068,1011 2.036,1012 5.908,1013 27.857,1014 2.71,1015 17.21,1016 19.054,1017 18.784,1018 34.685,1019 16.181,1020 1.775,1021 5.184,1022 29.792,1023 2.358,1024 18.384,1025 20.338,1026 20.125,1027 37.122,1028 17.273,1029 14992,1030 27876,1031 20.572,1032 40.552,1033 48.869,1034 48.579,1035 49.712,1036 48.97,1037 48.57,1038 54.018,1039 12.332,1040 136.228,1041 46.4,1042 5.432,1043 6.46,1044 6.94,1045 5.181,1046 5.319,1047 6.864,1048 5.409,1049 18.66,1050 5.088,1051 22.151,1052 1.481,1053 1.472,1054 1.506,1055 1.484,1056 1.472,1057 1.637,1058 0.374,1059 4.128,1060 1.406,1061 3.999,1062 4.037,1063 3.924,1064 3.912,1065 8.513,1066 3.907,1067 3.933,1068 3.965,1069 3.847,1070 3.844,1071 7.999,1072 3.838,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 7.999,1078 3.6,1079 3.656,1080 3.703,1081 3.534,1082 3.507,1083 7.474,1084 3.502,1085 3.503,1086 3.549,1087 3.372,1088 3.32,1089 6.465,1090 3.319,1091 3.367,1092 3.42,1093 3.331,1094 3.163,1095 6.448,1096 3.166,1097 3.217,1098 3.281,1099 3.063,1100 2.972,1101 6.433,1102 3,1103 3.192,1104 3.243,1105 3.023,1106 2.962,1107 6.351,1108 2.968,1109 0.135,1110 0.135,1111 0.216,1112 0.127,1113 0.101,1114 4.452,1115 0.117,1116 4.46,1117 0.116,1118 7.116,1119 0.354,1120 4.181,1121 0.094,1122 3.319,1123 3.864,1124 3.825,1125 11.689,1126 3.088,1127 1.941,1128 1.915,1129 2.074,1130 2.036,1131 1.47,1132 2.047,1133 1.835,1134 1.787,1135 2.045,1136 1.976,1137 1.36,1138 2.002,1139 1.737,1140 1.685,1141 1.956,1142 1.901,1143 1.266,1144 1.92,1145 1.617,1146 1.57,1147 1.847,1148 1.807,1149 1.181,1150 1.818,1151 1.539,1152 1.492,1153 1.768,1154 1.74,1155 1.058,1156 1.748,1157 1.402,1158 1.35,1159 1.667,1160 1.626,1161 0.964,1162 1.634,1163 1.225,1164 1.169,1165 1.507,1166 1.48,1167 0.792,1168 1.47,1169 1.073,1170 1.026,1171 1.335,1172 1.378,1173 0.58,1174 1.337,1175 4.205,1177 5.509,1178 2.398,1179 6.974,1180 4.844,1181 8.519,1182 6.986,1183 10.111,1187 38.489,1189 39.676,1190 6.025,1194 -2.076,1196 -4.39,1199 38.733,1200 100.499,1201 205.252,1202 281.595,1203 349.408,1204 369.673,1205 373.673,1206 163.539,1207 7.098,1208 97.99,1209 97.99,1210 11,1211 12.366,1212 3,1213 2.322,1214 77.263,1215 167,1216 177,1217 0.218,1218 238.066,1219 439.74,1220 572.641,1221 12611,1222 4.5,1223 23.725,1224 0.741,1225 0.572,1226 21.225,1227 18.305,1228 15.074,1229 0.457,1230 0.348,1231 11.339,1232 14.423,1233 11.209,1234 9.191,1235 13.863,1236 11.497,1237 14.259,1238 0.317,1239 0.2,1240 12.301,1241 9.013,1242 9.892,1243 0.194,1244 0.128,1245 8.93,1246 6.553,1247 7.545,1248 0.126,1249 0.079,1250 7.027,1251 4.756,1252 5.697,1253 0.085,1254 0.049,1255 5.067,1256 3.252,1257 0.358,1258 95.583,1259 0.22,1260 30.868,1261 0.561,1262 156,1263 630.668,1264 183.756,1265 516.047,1266 636.24,1267 472,1268 174,1269 403.485,1270 192.782,1271 385.637,1272 575.22,1273 362,1274 8.066}
{0 CHEMBL40183,1 1.266,2 12.741,3 3.551,4 12.612,5 109.34,6 5.886,8 4.2,9 4.33,10 3.496,11 3.661,12 5.199,13 3.591,14 4.791,15 4.989,16 3.836,17 4.087,18 5.76,19 3.972,20 5.176,21 5.419,22 3.914,23 4.284,24 6.091,25 4.13,26 5.319,27 5.603,28 3.831,29 4.294,30 6.245,31 4.106,32 5.211,33 5.501,34 3.764,35 4.208,36 6.07,37 4.025,38 5.129,39 5.399,40 3.803,41 4.171,42 6.057,43 4.006,44 5.185,45 5.459,46 3.806,47 4.191,48 6.111,49 4.025,50 5.187,51 5.456,52 3.676,53 4.169,54 6.074,55 3.981,56 0.098,57 0.813,58 16.273,59 6.956,60 21.329,61 9.445,62 0.258,63 1.32,64 28.448,65 11.417,66 56.864,67 16.033,68 0.378,69 1.697,70 40.843,71 14.657,72 78.725,73 21.224,74 0.686,75 1.774,76 46.136,77 15.403,78 124.823,79 22.806,80 0.465,81 1.619,82 40.98,83 14.085,84 92.073,85 20.836,86 0.479,87 1.54,88 38.432,89 13.356,90 94.503,91 19.592,92 0.589,93 1.58,94 40.682,95 13.662,96 107.628,97 20.105,98 0.509,99 1.567,100 40.699,101 13.544,102 94.032,103 20.012,104 93,105 36,106 0.208,107 0.486,108 0.742,109 0.882,110 0.893,111 0.893,112 3.339,113 1.142,114 -3.88,115 -3.84,116 -3.64,118 33.8,119 3,120 8,121 2,122 1,125 3,129 4,145 1,150 1,153 1,154 15,155 1,158 1,160 1,162 7,164 17,165 1,167 1,170 9,171 17,172 1,175 1,178 1,179 7,180 16,181 1,184 1,189 6,192 14,193 1,196 1,199 1,200 7,202 13,203 1,206 1,209 1,210 8,211 14,212 1,215 1,219 8,222 11,223 1,226 1,230 5,231 1,233 9,234 2,236 1386,237 17.258,238 17.258,239 17.258,240 17.258,241 17.258,242 16.637,243 15.633,244 10.498,245 17.36,246 13.233,247 13.233,248 13.233,249 13.233,250 13.233,251 12.286,252 15.699,253 4.898,254 13.438,255 4.756,256 3.063,257 1.508,258 0.65,259 0.589,260 0.589,261 3.979,265 1,266 1,267 666,268 5,270 95.231,277 2.195,278 38.979,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 59,289 344,290 4.366,291 3.596,292 7.247,293 4.342,294 3.352,295 3.394,296 2.341,297 12.142,298 3.316,299 4.16,300 3.488,301 6.681,302 4.125,303 3.143,304 3.18,305 0.765,306 10.721,307 3.083,308 3.552,309 3.323,310 5.35,311 3.241,312 2.236,313 2.712,315 6.208,316 2.223,317 3.257,318 2.407,319 4.723,320 3.036,321 2.072,322 2.323,324 5.184,325 1.993,326 3.136,327 2.188,328 4.659,329 2.81,330 1.832,331 2.173,333 4.885,334 1.786,335 2.874,336 2.103,337 4.623,338 2.68,339 1.706,340 1.865,342 4.365,343 1.652,344 2.583,345 1.874,346 3.799,347 2.539,348 1.557,349 1.581,351 3.435,352 1.523,353 2.427,354 1.522,355 3.576,356 2.359,357 1.372,358 1.409,360 2.626,361 1.349,362 2.248,363 1.41,364 3.375,365 2.07,366 1.084,367 1.181,369 2.337,370 1.062,371 1.93,372 1.082,373 3.105,374 1.62,375 0.654,376 0.764,378 1.478,379 0.626,380 1.413,381 0.737,382 2.741,383 1.258,384 0.261,385 0.279,387 0.528,388 0.259,389 1.206,390 0.413,391 2.582,392 1.17,393 0.181,394 0.187,395 0.3,396 0.178,397 0.997,398 0.226,399 2.401,400 0.722,401 -0.245,402 -0.278,403 -0.563,404 -0.234,405 0.515,406 0.16,407 2.303,408 0.338,409 -0.56,410 -0.564,411 -1.303,412 -0.49,413 0.437,414 -0.072,415 2,416 0.248,417 -0.723,418 -0.772,419 -1.625,420 -0.693,421 12.667,422 0.469,423 0.814,424 0.03,425 18.25,426 0.676,427 3.5,428 0.13,429 14.75,430 0.546,431 37.194,432 1.378,433 34.133,434 0.525,435 12.79,436 0.474,437 2.746,438 0.102,439 9.939,440 0.368,441 0.25,442 0.039,443 0.237,447 0.93,448 1.32,449 1.119,450 1.314,451 0.941,452 1.256,453 0.611,454 1.326,455 1.023,456 1.325,457 0.599,458 1.253,459 0.914,460 1.241,461 1.09,462 1.238,463 0.906,464 1.199,465 0.958,466 0.951,467 0.999,468 0.958,469 0.922,470 0.982,471 0.849,472 0.947,473 0.912,474 0.948,475 0.823,476 0.941,477 0.792,478 1.074,479 0.944,480 1.072,481 0.764,482 1.037,483 0.961,484 0.972,485 0.973,486 0.973,487 0.903,488 0.975,489 1.091,490 1.117,491 1.141,492 1.122,493 1.038,494 1.138,495 6.5,496 0.192,497 3.778,498 2.389,499 1.05,500 0.802,501 0.749,502 0.476,503 0.26,504 0.265,505 8102,506 19737,507 1.829,508 58.5,509 21,510 7,513 4,514 2,515 2,516 2,517 1.7,518 1.662,519 3.578,520 1.624,522 1,525 82.316,526 1.266,527 2.96,528 4.514,529 5.372,530 5.434,531 5.434,532 3.084,533 4.459,534 4.717,535 3.801,536 1334.31,537 8.191,538 18282.9,542 391.454,543 1.698,544 4.634,545 0.241,546 0.008,547 0.105,548 0.066,549 0.033,550 0.026,551 0.023,552 0.015,553 0.01,554 0.011,555 0.538,556 0.17,557 0.88,558 2.643,559 137.213,560 -0.098,561 0.093,562 -0.035,563 0.086,564 -0.121,565 0.042,566 0.083,567 -0.078,568 -0.018,569 -0.079,570 0.09,571 -0.067,572 -0.054,573 -0.148,574 -0.098,575 -0.146,576 -0.052,577 -0.132,578 -0.023,579 0.017,580 -0.03,581 0.013,582 -0.024,583 -0.007,584 -0.033,585 0.029,586 0.036,587 0.034,588 -0.029,589 0.045,590 0.047,591 -0.051,592 0.023,593 -0.046,594 0.041,595 -0.019,596 -0.002,597 0.019,598 0.008,599 0.019,600 0.007,601 0.015,602 -0.106,603 -0.121,604 -0.154,605 -0.127,606 -0.09,607 -0.146,608 2.455,609 4.527,610 0.185,611 31.358,612 0.991,613 1.137,614 2.649,615 7.017,616 0.596,617 3.332,618 3.611,619 3.738,620 3.829,621 3.85,622 3.829,623 3.892,624 3.892,625 3.892,626 3.829,627 7.404,628 0.547,629 382.6,630 3.332,631 4.844,632 5.638,633 6.488,634 7.314,635 8.172,636 9.014,637 9.879,638 10.731,639 11.6,670 65,671 3,673 27,675 65,676 22,681 1,682 1,685 3,686 1,688 3,689 2,691 11,693 5,694 17,695 2,696 3,698 1,699 4,701 1,707 38,708 5,709 4,710 5,717 1,718 5,719 3,730 1,739 1,741 4,746 4,748 1,752 3,756 27,759 4,760 8,764 5,766 1,773 7.7,774 3,775 1,776 1,779 16.25,780 11.467,781 6.208,782 4.236,785 0.859,786 1.134,787 0.795,788 10.466,789 7.283,790 3.434,791 3.761,792 3.932,793 4.143,794 4.29,795 4.466,796 4.615,797 4.673,798 4.762,799 4.779,800 0.889,801 36,802 10.16,803 4.249,804 7.966,805 19.492,806 16.067,807 2.466,808 66.583,812 400.217,813 85.567,816 195.878,819 85.567,820 596.096,822 26.476,823 20.276,824 165.955,825 68.738,828 400.217,830 400.217,831 85.567,832 195.878,835 353.133,836 114.913,837 128.05,839 46.752,840 0.91,841 37.905,843 400.217,844 195.878,845 85.567,848 400.217,849 21.186,850 64.381,852 195.878,853 400.217,854 195.878,855 85.567,857 0.57,858 0.311,859 0.144,860 0.073,861 12,862 8,863 0.185,864 12,866 1,867 3.788,868 197.102,870 5,871 126.382,874 24.038,875 11.755,876 8.266,878 195.878,886 170.733,887 681.662,888 30,890 10.506,891 7.577,893 -0.789,895 64.425,896 73.936,897 0.21,898 0.491,899 0.75,900 0.892,901 0.902,902 0.902,903 4.691,904 1.372,905 5.659,906 3.435,907 4.29,908 4.443,909 2.373,910 6.479,911 4.256,912 5.838,913 1.084,914 7.248,915 2.626,916 4.111,917 4.205,918 2.243,919 7.751,920 4.046,921 7.114,922 0.654,923 8.963,924 2.337,925 5.943,926 6.192,927 3.646,928 10.74,929 5.884,930 8.424,931 0.261,932 10.757,933 1.478,934 6.594,935 6.723,936 4.112,937 12.836,938 6.509,939 9.771,940 0.181,941 12.602,942 0.528,943 7.984,944 8.247,945 5.204,946 15.45,947 7.9,948 11.144,949 -0.245,950 14.481,951 0.3,952 8.974,953 9.121,954 5.889,955 17.801,956 8.869,957 12.535,958 -0.56,959 16.383,960 -0.563,961 10.225,962 10.464,963 6.849,964 20.312,965 10.114,966 3.352,967 -0.723,968 18.302,969 -1.303,970 11.342,971 11.501,972 7.625,973 22.744,974 11.214,975 3.143,976 12.142,977 20.233,978 -1.625,979 12.549,980 12.767,981 8.526,982 25.227,983 12.412,984 2.236,985 10.721,986 22.172,987 3.394,988 13.712,989 13.885,990 9.342,991 27.687,992 13.561,993 2.072,994 6.208,995 24.118,996 3.18,997 14.907,998 15.116,999 10.216,1000 30.165,1001 14.745,1002 1.832,1003 5.184,1004 26.068,1005 2.712,1006 16.088,1007 16.275,1008 11.051,1009 32.637,1010 15.914,1011 1.706,1012 4.885,1013 28.022,1014 2.323,1015 17.28,1016 17.491,1017 11.912,1018 35.116,1019 17.095,1020 1.557,1021 4.365,1022 29.979,1023 2.173,1024 18.468,1025 18.672,1026 12.755,1027 37.594,1028 18.271,1029 8666,1030 13639,1031 16.296,1032 38.739,1033 39.639,1034 40.073,1035 41.092,1036 39.032,1037 38.902,1038 42.1,1039 6.211,1040 108.418,1041 38.102,1042 5.28,1043 5.468,1044 7.088,1045 5.324,1046 5.335,1047 5.791,1048 3.925,1049 19.098,1050 5.298,1051 19.434,1052 1.468,1053 1.484,1054 1.522,1055 1.446,1056 1.441,1057 1.559,1058 0.23,1059 4.015,1060 1.411,1061 3.984,1062 4.021,1063 3.884,1064 3.886,1065 7.474,1066 3.88,1067 3.829,1068 3.877,1069 3.705,1070 3.722,1071 6.465,1072 3.71,1073 3.738,1074 3.785,1075 3.614,1076 3.611,1077 6.449,1078 3.602,1079 3.558,1080 3.626,1081 3.399,1082 3.415,1083 6.434,1084 3.398,1085 3.488,1086 3.525,1087 3.362,1088 3.32,1089 6.351,1090 3.322,1091 3.329,1092 3.391,1093 3.157,1094 3.185,1095 4.435,1096 3.169,1097 3.158,1098 3.205,1099 2.993,1100 2.921,1101 4.327,1102 2.93,1103 2.992,1104 3.104,1105 2.806,1106 2.776,1107 4.201,1108 2.739,1109 0.162,1110 0.133,1111 0.268,1112 0.161,1113 0.124,1114 4.366,1115 0.126,1116 3.596,1117 0.087,1118 7.247,1119 0.45,1120 4.342,1121 0.123,1122 3.352,1123 3.394,1124 2.341,1125 12.142,1126 3.316,1127 1.876,1128 1.836,1129 2.072,1130 2.007,1131 1.408,1132 2.03,1133 1.803,1134 1.756,1135 2.009,1136 1.94,1137 1.341,1138 1.965,1139 1.684,1140 1.636,1141 1.906,1142 1.844,1143 1.23,1144 1.864,1145 1.595,1146 1.547,1147 1.846,1148 1.789,1149 1.151,1150 1.803,1151 1.54,1152 1.475,1153 1.799,1154 1.737,1155 1.082,1156 1.765,1157 1.391,1158 1.347,1159 1.63,1160 1.596,1161 0.803,1162 1.603,1163 1.197,1164 1.143,1165 1.469,1166 1.436,1167 0.65,1168 1.444,1169 1.037,1170 0.93,1171 1.457,1172 1.304,1173 0.598,1174 1.365,1175 4.007,1177 5.293,1178 2.398,1179 6.749,1180 4.844,1181 8.29,1182 6.986,1183 9.882,1185 6.234,1189 39.749,1190 5.538,1194 -2.018,1196 -0.214,1199 35.583,1200 82.316,1201 192.373,1202 293.441,1203 349.189,1204 353.189,1205 353.189,1206 149.5,1207 6.425,1208 97.99,1209 97.99,1210 5,1211 12.148,1212 2,1213 2,1214 81.655,1215 114,1216 132,1217 0.337,1218 225.608,1219 412.83,1220 542.243,1221 4662,1223 20.449,1224 0.757,1225 0.631,1226 20.449,1227 17.05,1228 12.686,1229 0.47,1230 0.381,1231 10.198,1232 12.337,1233 9.853,1234 8.266,1235 12.686,1236 10.28,1237 11.474,1238 0.319,1239 0.237,1240 11.474,1241 8.527,1242 8.266,1243 0.202,1244 0.14,1245 8.266,1246 5.743,1247 5.775,1248 0.128,1249 0.083,1250 5.775,1251 3.723,1252 4.029,1253 0.088,1254 0.052,1255 4.029,1256 2.381,1257 0.541,1258 79,1259 0.248,1260 26.571,1261 0.89,1262 126,1263 328.334,1264 136.739,1265 310.094,1266 389.74,1267 284,1268 140,1269 249.485,1270 148.97,1271 252.532,1272 361.38,1273 236,1274 7.421}
{0 CHEMBL402162,1 1.631,2 15.302,3 4.296,4 18.457,5 161.893,6 7.944,7 0.489,8 4.431,9 4.521,10 4.149,11 3.989,12 5.537,13 3.964,14 4.985,15 5.131,16 4.456,17 4.364,18 6.211,19 4.334,20 5.195,21 5.346,22 4.607,23 4.517,24 6.356,25 4.489,26 5.283,27 5.425,28 4.702,29 4.596,30 6.597,31 4.564,32 5.409,33 5.569,34 4.69,35 4.674,36 6.652,37 4.613,38 5.49,39 5.702,40 4.625,41 4.653,42 6.629,43 4.568,44 5.407,45 5.602,46 4.507,47 4.545,48 6.622,49 4.462,50 5.31,51 5.51,52 4.378,53 4.487,54 6.394,55 4.386,56 0.134,57 1.071,58 17.102,59 7.609,60 21.57,61 8.746,62 0.675,63 1.719,64 32.759,65 12.71,66 79.099,67 15.031,68 0.72,69 2.05,70 39.261,71 15.082,72 89.705,73 17.472,74 0.971,75 2.252,76 44.562,77 17.002,78 127.81,79 19.661,80 1.103,81 2.523,82 48.931,83 18.932,84 129.744,85 22.461,86 0.993,87 2.709,88 61.352,89 20.689,90 134.399,91 25.769,92 1.376,93 2.401,94 54.728,95 18.397,96 166.058,97 21.706,98 1.022,99 2.16,100 54.646,101 18.605,102 128.038,103 21.669,104 78,105 68,106 0.248,107 0.579,108 0.791,109 0.852,110 0.864,111 0.876,112 3.788,113 0.994,114 -3.1,115 -3.1,116 -2.98,118 42.1,119 3,120 1,123 1,124 4,133 9,134 6,135 4,136 1,137 1,145 2,154 13,157 2,158 15,160 3,162 1,164 12,166 1,167 16,170 2,171 10,174 6,175 16,179 3,180 11,183 4,184 16,187 1,189 4,192 12,195 1,196 18,200 2,202 9,205 4,206 17,208 1,211 11,215 9,222 17,225 3,226 8,228 1,230 2,233 19,236 3889,237 28.955,238 28.955,239 28.955,240 28.955,241 28.955,242 25.584,243 36.204,244 17.005,245 29.774,246 23.093,247 23.093,248 23.093,249 23.093,250 23.093,251 17.709,252 46.812,253 7.793,254 24.145,255 4.617,256 2.439,257 1.047,258 0.645,259 0.566,260 0.487,261 4.486,266 1,267 1418,268 4.848,270 86.958,271 537.726,274 163.64,275 198.185,277 2.481,278 64.864,280 0.75,281 0.5,282 0.67,283 0.7,284 0.5,285 0.67,286 0.5,287 0.61,288 94.5,289 658,290 4.807,291 4.513,292 7.199,293 4.421,294 3.446,295 4.714,296 1.969,297 12.694,298 3.359,299 4.714,300 3.869,301 6.774,302 4.178,303 3.245,304 4.501,305 1.416,306 11.193,307 3.016,308 4.362,309 3.592,310 6.646,311 3.99,312 3.026,313 3.961,314 1.23,315 10.61,316 2.914,317 4.209,318 3.327,319 6.203,320 3.828,321 2.855,322 3.811,323 0.86,324 9.078,325 2.772,326 4.055,327 3.051,328 6.15,329 3.639,330 2.647,331 3.622,332 0.86,333 8.994,334 2.622,335 3.816,336 3,337 6.066,338 3.427,339 2.484,340 3.256,341 0.86,342 8.584,343 2.336,344 3.577,345 2.845,346 5.483,347 3.226,348 2.238,349 2.893,350 0.521,351 7.006,352 2.203,353 3.495,354 2.446,355 5.147,356 3.092,357 2.095,358 2.698,359 0.219,360 5.903,361 2.074,362 3.233,363 2.373,364 4.935,365 2.831,366 1.854,367 2.444,369 5.568,370 1.801,371 2.917,372 2.092,373 4.601,374 2.479,375 1.522,376 2.088,378 4.129,379 1.459,380 2.909,381 2.014,382 4.272,383 2.475,384 1.513,385 2.08,387 3.87,388 1.441,389 2.834,390 1.885,391 4.259,392 2.415,393 1.418,394 1.947,395 3.599,396 1.404,397 2.833,398 1.593,399 4.029,400 2.394,401 1.391,402 1.933,403 3.088,404 1.392,405 2.605,406 1.534,407 3.809,408 2.221,409 1.304,410 1.642,411 3.007,412 1.184,413 2.434,414 1.44,415 3.622,416 2.161,417 1.247,418 1.418,419 2.743,420 1.13,421 20.367,422 0.474,423 1.177,424 0.027,425 57.5,426 1.337,427 30,428 0.698,429 27.5,430 0.64,431 42.596,432 0.991,433 46.833,434 0.616,435 54.01,436 1.256,437 11.296,438 0.263,439 9.371,440 0.218,441 0.164,442 0.041,443 0.339,447 0.656,448 1.335,449 0.781,450 1.237,451 0.615,452 0.982,453 0.872,454 1.011,455 0.908,456 0.951,457 0.598,458 0.837,459 1.234,460 1.026,461 0.879,462 0.912,463 1.164,464 0.882,465 1.002,466 1.148,467 1.027,468 1.119,469 0.82,470 0.998,471 1.077,472 1.156,473 1.041,474 1.083,475 1.238,476 1.119,477 1.026,478 1.081,479 1.057,480 1.074,481 1.128,482 1.011,483 1.34,484 0.891,485 1.182,486 0.953,487 1.47,488 1.034,489 1.302,490 0.947,491 1.271,492 1.052,493 1.185,494 0.997,495 9,496 0.335,497 5.111,498 4.604,499 3.499,500 2.543,501 1.606,502 0.964,503 0.59,504 0.415,505 32060,506 92197,507 2.039,508 43.4,509 3,510 20,512 1,513 1,514 2,515 6,517 1.816,518 1.876,519 3.821,520 -0.369,525 123.971,526 1.631,527 3.809,528 5.201,529 5.603,530 5.682,531 5.761,532 3.239,533 5.333,534 5.396,535 4.101,536 3703.37,537 9.541,538 67991.9,542 474.842,543 1.618,544 5.336,545 0.191,546 0.008,547 0.075,548 0.061,549 0.042,550 0.032,551 0.022,552 0.016,553 0.01,554 0.008,555 0.466,556 0.33,557 0.5,558 1.051,559 248.662,560 0.03,561 -0.169,562 0.168,563 -0.101,564 -0.093,565 -0.001,566 0.086,567 0.077,568 0.063,569 0.083,570 0.14,571 0.123,572 -0.144,573 0.02,574 0.037,575 0.064,576 -0.151,577 0.059,578 0.088,579 -0.081,580 -0.025,581 -0.085,582 0.172,583 -0.05,584 -0.016,585 -0.122,586 -0.116,587 -0.11,588 -0.06,589 -0.171,590 -0.079,591 -0.066,592 -0.016,593 -0.071,594 -0.036,595 -0.024,596 -0.124,597 0.114,598 -0.156,599 0.013,600 -0.128,601 -0.091,602 -0.202,603 0.018,604 -0.136,605 0.023,606 -0.123,607 0.007,608 4.9,609 6.894,610 0.581,611 57.77,612 1.012,613 1.12,614 1.871,615 3.502,616 0.675,617 3.871,618 4.234,619 4.543,620 4.898,621 5.153,622 5.333,623 5.525,624 5.694,625 5.787,626 5.878,627 9.249,628 0.647,629 603.75,630 3.871,631 5.442,632 6.315,633 7.233,634 8.131,635 9.058,636 9.967,637 10.9,638 11.817,639 12.753,640 3.9,644 2,647 1,650 2,651 10,652 1,656 9,658 23,662 1,668 3,670 76,671 27,672 3,673 47,675 80,676 32,677 21,678 11,679 7,680 1,681 5,682 8,685 3,691 1,693 23,694 9,696 4,697 1,698 4,701 2,707 33,708 10,709 1,710 11,711 1,714 3,717 0.6,718 7,726 1,730 1,731 4,734 1,735 1,748 3,750 1,752 4,756 43,758 1,760 5,761 1,762 3,765 1,773 9.2,776 4,778 3,779 22.917,780 15.067,781 9.556,782 4.664,785 4.503,786 1.5,787 0.983,788 9.138,789 13.516,790 4.151,791 4.8,792 5.365,793 6.016,794 6.581,795 6.938,796 7.372,797 7.791,798 8.152,799 8.429,800 0.9,801 76,802 16.359,803 7.392,804 7.921,805 30.129,806 24.866,807 2.421,808 104.083,812 376.675,813 200.766,814 36.315,816 127.602,818 5.807,819 194.958,820 504.278,821 36.315,822 37.359,823 34.254,824 91.094,825 132.569,826 81.179,828 364.904,830 376.675,831 231.273,832 127.602,833 5.807,835 306.049,836 198.229,839 71.921,840 142.566,841 22.593,843 376.675,844 163.917,845 200.766,847 5.807,848 376.675,849 63.266,850 134.817,851 16.405,852 144.388,853 376.675,854 163.917,855 200.766,857 0.579,858 0.346,859 0.209,860 0.118,861 32,862 16,863 0.138,864 11,865 2,866 1.16,867 4.951,868 455.97,869 0.16,870 25,871 231.329,873 1,874 30.646,875 12.822,876 6.29,877 1.331,878 163.917,879 17.35,880 4.531,884 5.057,886 16.405,887 741.358,888 62.5,889 -3.984,890 52.159,893 -0.896,895 76.927,896 85.109,897 0.261,898 0.61,899 0.832,900 0.897,901 0.909,902 0.922,903 5.415,904 2.095,905 6.34,906 7.006,907 4.92,908 5.489,909 2.972,910 7.238,911 4.845,912 6.661,913 1.854,914 7.953,915 5.903,916 4.691,917 5.58,918 1.668,919 8.4,920 4.586,921 8.019,922 1.522,923 9.672,924 5.568,925 6.619,926 7.812,927 3.603,928 11.508,929 6.471,930 9.416,931 1.513,932 11.453,933 4.129,934 7.201,935 8.7,936 3.17,937 13.462,938 7.011,939 10.848,940 1.418,941 13.274,942 3.87,943 8.64,944 10.472,945 4.552,946 16.138,947 8.415,948 12.302,949 1.391,950 15.121,951 3.599,952 9.572,953 11.7,954 4.608,955 18.403,956 9.302,957 13.775,958 1.304,959 16.986,960 3.088,961 10.839,962 13.308,963 5.685,964 20.95,965 10.538,966 3.446,967 1.247,968 18.865,969 3.007,970 11.922,971 14.691,972 6.015,973 23.347,974 11.578,975 3.245,976 12.694,977 20.755,978 2.743,979 13.134,980 16.24,981 6.919,982 25.858,983 12.758,984 3.026,985 11.193,986 22.653,987 4.714,988 14.281,989 17.695,990 7.402,991 28.316,992 13.868,993 2.855,994 10.61,995 24.558,996 4.501,997 15.479,998 19.224,999 8.207,1000 30.822,1001 15.035,1002 2.647,1003 9.078,1004 26.469,1005 3.961,1006 16.657,1007 20.715,1008 8.776,1009 33.31,1010 16.18,1011 2.484,1012 8.994,1013 28.386,1014 3.811,1015 17.856,1016 22.239,1017 9.526,1018 35.82,1019 17.349,1020 2.238,1021 8.584,1022 30.307,1023 3.622,1024 19.049,1025 23.749,1026 10.142,1027 38.326,1028 18.513,1029 30540,1030 52020,1031 30.63,1032 51.267,1033 70.443,1034 74.714,1035 74.584,1036 70.265,1037 70.378,1038 92.782,1039 15.871,1040 212.193,1041 67.658,1042 5.729,1043 6.513,1044 6.958,1045 5.485,1046 5.446,1047 7.714,1048 3.473,1049 20.694,1050 5.359,1051 25.763,1052 1.499,1053 1.59,1054 1.587,1055 1.495,1056 1.497,1057 1.974,1058 0.338,1059 4.515,1060 1.44,1061 4.149,1062 4.163,1063 4.725,1064 4.074,1065 7.717,1066 4.072,1067 4.038,1068 4.029,1069 4.113,1070 3.995,1071 7.429,1072 3.938,1073 3.923,1074 3.946,1075 3.868,1076 3.854,1077 7.425,1078 3.853,1079 3.831,1080 3.824,1081 3.859,1082 3.763,1083 6.999,1084 3.693,1085 3.63,1086 3.661,1087 3.58,1088 3.511,1089 5.031,1090 3.516,1091 3.508,1092 3.567,1093 3.352,1094 3.287,1095 4.855,1096 3.287,1097 3.467,1098 3.538,1099 3.335,1100 3.256,1101 4.711,1102 3.248,1103 3.383,1104 3.406,1105 3.284,1106 3.213,1107 4.573,1108 3.215,1109 0.102,1110 0.096,1111 0.153,1112 0.094,1113 0.073,1114 4.807,1115 0.1,1116 4.513,1117 0.042,1118 7.199,1119 0.27,1120 4.421,1121 0.071,1122 3.446,1123 4.714,1124 1.969,1125 12.694,1126 3.359,1127 2.024,1128 2.013,1129 2.072,1130 2.115,1131 1.281,1132 2.102,1133 1.97,1134 1.96,1135 2.044,1136 2.054,1137 1.259,1138 2.079,1139 1.91,1140 1.888,1141 2.022,1142 2.006,1143 1.165,1144 2.011,1145 1.671,1146 1.696,1147 1.802,1148 1.826,1149 0.982,1150 1.86,1151 1.519,1152 1.48,1153 1.79,1154 1.736,1155 0.939,1156 1.757,1157 1.484,1158 1.421,1159 1.639,1160 1.719,1161 0.926,1162 1.742,1163 1.412,1164 1.342,1165 1.616,1166 1.582,1167 0.816,1168 1.597,1169 1.348,1170 1.308,1171 1.575,1172 1.56,1173 0.703,1174 1.552,1175 4.554,1177 5.905,1178 2.398,1179 7.458,1180 4.844,1181 9.11,1182 7.066,1183 10.819,1185 7.042,1190 0.47,1191 2.144,1192 17.243,1195 1.636,1199 49.157,1200 123.971,1201 289.477,1202 395.294,1203 425.823,1204 431.823,1205 437.823,1206 118.567,1207 9.014,1208 124.13,1209 132.51,1210 29,1211 13.255,1212 4.807,1213 4.044,1214 71.707,1215 241,1216 242,1217 0.144,1218 302.19,1219 535.48,1220 729.103,1221 124867,1223 30.725,1224 0.715,1225 0.588,1226 30.975,1227 25.286,1228 20.667,1229 0.44,1230 0.331,1231 13.85,1232 19.021,1233 13.272,1234 11.013,1235 21.521,1236 15.579,1237 18.964,1238 0.279,1239 0.173,1240 20.25,1241 11.785,1242 15.517,1243 0.167,1244 0.09,1245 16.388,1246 8.397,1247 14.343,1248 0.108,1249 0.049,1250 15.381,1251 6.535,1252 11.426,1253 0.066,1254 0.026,1255 12.068,1256 4.436,1257 0.231,1258 138.999,1259 0.181,1260 38.136,1261 0.385,1262 230,1263 750.632,1264 288.429,1265 727.167,1266 983.15,1267 676,1268 276,1269 690.131,1270 344.786,1271 727.498,1272 1069.64,1273 681,1274 5.699}
{0 CHEMBL404199,1 1.9,2 16.377,3 6.105,4 37.269,5 177.034,6 9.14,7 0.397,8 4.569,9 4.647,10 4.361,11 4.078,12 5.779,13 4.102,14 5.156,15 5.283,16 4.773,17 4.451,18 6.874,19 4.483,20 5.338,21 5.465,22 4.858,23 4.625,24 6.752,25 4.641,26 5.437,27 5.559,28 4.958,29 4.749,30 6.803,31 4.75,32 5.616,33 5.757,34 5.015,35 4.857,36 6.951,37 4.841,38 5.742,39 5.927,40 5.027,41 4.824,42 7.1,43 4.812,44 5.705,45 5.903,46 5.061,47 4.678,48 7.301,49 4.71,50 5.514,51 5.681,52 4.852,53 4.601,54 7.104,55 4.601,56 0.552,57 1.619,58 13.49,59 8.723,60 89.207,61 8.197,62 2.364,63 3.2,64 34.165,65 14.52,66 363.932,67 14.164,68 2.474,69 2.71,70 37.599,71 16.994,72 297.559,73 16.331,74 2.046,75 2.925,76 39.776,77 19.31,78 254.982,79 19.618,80 2.589,81 3.551,82 53.676,83 23.713,84 299.67,85 24.354,86 3.113,87 4.142,88 69.651,89 25.437,90 423.961,91 27.489,92 4.152,93 4.283,94 74.538,95 23.651,96 548.999,97 24.602,98 3.607,99 3.39,100 65.483,101 21.913,102 480.544,103 20.461,104 194,105 90,106 0.283,107 0.605,108 0.779,109 0.822,110 0.826,111 0.836,112 3.991,113 0.907,114 -3.46,115 -3.44,116 -3.28,118 41.7,119 1,120 2,122 1,123 2,124 4,127 2,133 8,134 6,135 5,136 1,137 1,145 2,154 14,157 2,158 15,160 3,162 1,164 12,166 1,167 19,170 4,171 9,174 7,175 20,179 2,180 12,183 5,184 19,187 2,189 4,192 10,195 1,196 12,200 2,202 9,205 6,206 14,208 1,211 13,215 10,222 15,225 3,226 10,228 1,230 2,233 12,236 6760,237 34.236,238 34.236,239 34.236,240 34.236,241 34.236,242 30.941,243 42.904,244 19.057,245 35.579,246 28.444,247 28.444,248 28.444,249 28.444,250 28.444,251 23.046,252 55.866,253 8.786,254 30.634,255 4.492,256 2.337,257 1.164,258 0.878,259 0.854,260 0.783,261 4.682,267 1864,268 6.245,269 103.451,270 111.088,271 676.961,274 212.511,275 254.916,277 2.554,278 131.442,280 0.5,281 0.33,282 0.5,283 0.8,284 0.5,285 0.33,286 0.5,287 0.5,288 124.5,289 868,290 4.882,291 4.524,292 8.081,293 4.74,294 3.742,295 4.715,296 3.02,297 15.648,298 3.733,299 4.808,300 4.272,301 7.199,302 4.423,303 3.45,304 4.509,305 3.02,306 12.696,307 3.359,308 4.681,309 4.271,310 6.772,311 4.15,312 3.218,313 4.259,314 1.969,315 11.173,316 2.989,317 4.362,318 4.206,319 6.647,320 3.993,321 3.104,322 3.961,323 1.416,324 10.614,325 2.899,326 4.113,327 3.867,328 6.404,329 3.898,330 3.1,331 3.622,332 1.23,333 9.975,334 2.631,335 4.093,336 3.32,337 6.392,338 3.877,339 3.013,340 3.39,341 0.86,342 9.947,343 2.591,344 4.056,345 3.23,346 6.319,347 3.679,348 2.715,349 3.279,350 0.86,351 9.187,352 2.46,353 4.028,354 2.998,355 6.199,356 3.631,357 2.641,358 3.097,359 0.86,360 8.984,361 2.42,362 3.789,363 2.824,364 6.057,365 3.398,366 2.456,367 3.064,368 0.86,369 8.563,370 2.285,371 3.557,372 2.675,373 5.48,374 3.184,375 2.204,376 2.885,377 0.521,378 6.983,379 2.158,380 3.355,381 2.555,382 5.164,383 2.972,384 2.061,385 2.604,386 0.219,387 6.02,388 1.867,389 3.229,390 2.439,391 5.133,392 2.83,393 1.853,394 2.44,395 5.691,396 1.8,397 3.025,398 2.37,399 4.883,400 2.624,401 1.601,402 2.097,403 4.511,404 1.619,405 2.907,406 2.036,407 4.6,408 2.466,409 1.49,410 2.079,411 4.119,412 1.451,413 2.834,414 1.842,415 4.264,416 2.405,417 1.404,418 1.933,419 3.585,420 1.398,421 23.914,422 0.451,423 2.053,424 0.039,425 65.5,426 1.236,427 30.5,428 0.575,429 35,430 0.66,431 59.531,432 1.123,433 60.686,434 0.722,435 75.461,436 1.424,437 13.153,438 0.248,439 11.724,440 0.221,441 0.19,442 0.098,443 0.309,444 6,447 0.616,448 1.027,449 0.661,450 1.236,451 0.602,452 0.963,453 0.63,454 0.688,455 0.791,456 0.897,457 0.445,458 0.808,459 0.844,460 0.761,461 0.889,462 0.901,463 0.883,464 0.945,465 0.657,466 0.719,467 0.885,468 1.066,469 0.544,470 1.043,471 0.741,472 0.841,473 1.042,474 1.175,475 0.681,476 1.163,477 0.889,478 0.976,479 0.998,480 1.148,481 0.92,482 1.127,483 1.042,484 0.948,485 0.916,486 0.834,487 1.153,488 0.801,489 1.098,490 1.037,491 1.343,492 1.124,493 1.104,494 1.018,495 15.5,496 0.604,497 7,498 5.917,499 4.843,500 3.717,501 2.556,502 1.94,503 1.042,504 0.827,505 54360,506 211497,507 1.994,508 36.9,509 7,510 22,512 1,513 1,517 1.866,518 1.797,519 3.908,520 -0.306,525 159.585,526 1.9,527 4.056,528 5.228,529 5.514,530 5.538,531 5.609,532 3.298,533 5.247,534 5.701,535 4.222,536 5817.46,537 10.164,538 123242,542 536.955,543 1.823,544 5.605,545 0.267,546 0.009,547 0.08,548 0.062,549 0.046,550 0.034,551 0.025,552 0.019,553 0.012,554 0.011,555 0.566,556 0.33,557 0.5,558 1.244,559 323.672,560 -0.022,561 -0.09,562 0.113,563 -0.096,564 -0.08,565 -0.002,566 0.249,567 0.302,568 0.102,569 0.14,570 0.347,571 0.135,572 0.002,573 0.148,574 -0.066,575 0.086,576 -0.087,577 -0.007,578 0.004,579 -0.017,580 -0.039,581 -0.053,582 0.035,583 -0.076,584 -0.028,585 -0.108,586 -0.126,587 -0.147,588 -0.018,589 -0.167,590 -0.078,591 -0.185,592 -0.01,593 -0.171,594 -0.065,595 -0.108,596 0.039,597 0.039,598 0.171,599 0.129,600 -0.006,601 0.187,602 -0.016,603 0.016,604 -0.163,605 0.001,606 -0.004,607 -0.013,608 6.069,609 6.94,610 0.528,611 77.22,612 1.049,613 1.145,614 2.229,615 4.967,616 0.665,617 4.078,618 4.511,619 4.762,620 5.106,621 5.384,622 5.561,623 5.746,624 5.932,625 6.066,626 6.157,627 10.223,628 0.669,629 767.76,630 4.078,631 5.694,632 6.572,633 7.518,634 8.426,635 9.376,636 10.299,637 11.252,638 12.185,639 13.139,640 3.6,644 2,647 1,650 2,651 9,652 1,656 10,658 23,662 1,668 4,670 84,671 27,672 3,673 58,675 89,676 35,677 21,678 12,679 6,680 1,681 6,682 9,685 3,686 1,687 1,688 2,690 2,691 2,693 23,694 12,696 4,697 1,698 4,701 2,705 6,707 31,708 17,709 1,710 18,711 1,714 3,717 0.667,718 8,726 1,729 1,730 1,731 4,734 1,735 1,748 4,750 1,752 3,754 6,756 53,758 1,760 6,761 1,762 4,765 1,766 3,772 6,773 9.5,776 4,778 4,779 29.5,780 16.257,781 11.167,782 4.663,785 4.548,786 1.478,787 0.979,788 10.314,789 14.064,790 4.311,791 4.973,792 5.5,793 6.134,794 6.701,795 7.065,796 7.498,797 7.912,798 8.285,799 8.565,800 1,801 95,802 21.76,803 11.542,804 8.491,805 35.645,806 30.209,807 2.991,808 158.5,812 353.133,813 207.819,814 36.315,816 138.602,817 89.761,818 5.807,819 202.012,820 491.735,821 126.076,822 30.591,823 36.789,824 81.617,825 132.569,826 187.183,828 341.362,829 15.519,830 353.133,831 238.327,832 228.363,833 5.807,835 353.133,836 228.363,839 72.324,840 149.217,841 22.593,843 442.894,844 174.917,845 207.819,847 5.807,848 368.652,849 71.044,850 118.573,851 16.405,852 245.149,853 353.133,854 264.678,855 207.819,857 0.605,858 0.333,859 0.186,860 0.109,861 45,862 23,863 0.135,864 12,865 2,866 1.143,867 5.465,868 626.862,869 0.143,870 28,871 282.07,873 1,874 38.489,875 14.202,876 8.009,877 -0.405,878 264.678,879 12.923,880 4.042,884 0.311,886 16.405,887 825.63,888 73.5,889 -4.283,890 53.958,893 -1.653,895 88.098,896 96.187,897 0.297,898 0.634,899 0.818,900 0.863,901 0.866,902 0.878,903 5.634,904 2.641,905 6.666,906 9.187,907 5.198,908 5.663,909 3.879,910 7.627,911 5.074,912 6.919,913 2.456,914 8.332,915 8.984,916 5.263,917 5.876,918 3.842,919 9.102,920 5.041,921 8.31,922 2.204,923 10.11,924 8.563,925 7.04,926 7.985,927 5.416,928 12.151,929 6.811,930 9.733,931 2.061,932 11.954,933 6.983,934 7.828,935 8.923,936 6.204,937 14.385,938 7.536,939 11.186,940 1.853,941 13.841,942 6.02,943 9.215,944 10.637,945 7.415,946 17.128,947 8.917,948 12.658,949 1.601,950 15.758,951 5.691,952 10.28,953 11.883,954 8.436,955 19.654,956 9.958,957 14.146,958 1.49,959 17.698,960 4.511,961 11.556,962 13.463,963 9.564,964 22.349,965 11.235,966 3.742,967 1.404,968 19.657,969 4.119,970 12.732,971 14.85,972 10.646,973 24.996,974 12.411,975 3.45,976 15.648,977 21.633,978 3.585,979 13.985,980 16.384,981 11.756,982 27.7,983 13.672,984 3.218,985 12.696,986 23.623,987 4.715,988 15.21,989 17.837,990 12.854,991 30.399,992 14.908,993 3.104,994 11.173,995 25.625,996 4.509,997 16.465,998 19.357,999 13.96,1000 33.12,1001 16.176,1002 3.1,1003 10.614,1004 27.639,1005 4.259,1006 17.717,1007 20.844,1008 15.063,1009 35.842,1010 17.442,1011 3.013,1012 9.975,1013 29.663,1014 3.961,1015 18.981,1016 22.361,1017 16.168,1018 38.574,1019 18.72,1020 2.715,1021 9.947,1022 31.696,1023 3.622,1024 20.248,1025 23.866,1026 17.273,1027 41.309,1028 20.002,1029 51755,1030 102615,1031 36.58,1032 55.87,1033 89.803,1034 92.045,1035 94.541,1036 89.12,1037 88.943,1038 111.508,1039 29.671,1040 285.806,1041 83.069,1042 5.851,1043 6.524,1044 7.759,1045 5.813,1046 5.742,1047 7.715,1048 4.53,1049 24.099,1050 5.733,1051 37.84,1052 1.548,1053 1.587,1054 1.63,1055 1.537,1056 1.534,1057 1.923,1058 0.512,1059 4.928,1060 1.432,1061 4.16,1062 4.173,1063 4.726,1064 4.086,1065 8.517,1066 4.079,1067 4.077,1068 4.085,1069 4.118,1070 4.01,1071 8.509,1072 3.993,1073 3.987,1074 3.993,1075 3.99,1076 3.941,1077 7.999,1078 3.91,1079 3.833,1080 3.827,1081 3.859,1082 3.763,1083 7.999,1084 3.699,1085 3.7,1086 3.729,1087 3.625,1088 3.602,1089 7.999,1090 3.588,1091 3.627,1092 3.656,1093 3.585,1094 3.509,1095 7.999,1096 3.509,1097 3.6,1098 3.637,1099 3.584,1100 3.279,1101 7.717,1102 3.336,1103 3.566,1104 3.607,1105 3.553,1106 3.247,1107 7.429,1108 3.302,1109 0.084,1110 0.078,1111 0.139,1112 0.082,1113 0.065,1114 4.882,1115 0.081,1116 4.524,1117 0.052,1118 8.081,1119 0.27,1120 4.74,1121 0.064,1122 3.742,1123 4.715,1124 3.02,1125 15.648,1126 3.733,1127 2.024,1128 2.012,1129 2.069,1130 2.116,1131 1.281,1132 2.1,1133 1.969,1134 1.959,1135 2.043,1136 2.051,1137 1.258,1138 2.075,1139 1.893,1140 1.881,1141 1.975,1142 1.993,1143 1.156,1144 1.987,1145 1.669,1146 1.696,1147 1.659,1148 1.824,1149 0.981,1150 1.858,1151 1.504,1152 1.475,1153 1.611,1154 1.749,1155 0.825,1156 1.69,1157 1.416,1158 1.384,1159 1.59,1160 1.73,1161 0.823,1162 1.68,1163 1.341,1164 1.294,1165 1.585,1166 1.578,1167 0.762,1168 1.572,1169 1.317,1170 1.287,1171 1.55,1172 1.558,1173 0.751,1174 1.565,1175 4.762,1176 1.946,1177 6.168,1178 4.111,1179 7.757,1180 6.225,1181 9.435,1182 8.286,1183 11.168,1185 4.377,1187 79.66,1190 -3.945,1191 2.154,1192 21.061,1195 1.108,1196 -10.809,1199 56.225,1200 159.585,1201 340.677,1202 439.18,1203 463.18,1204 465.18,1205 471.18,1206 203.654,1207 9.515,1208 133.36,1209 141.74,1210 32,1211 13.629,1212 4.807,1213 4.044,1214 88.123,1215 330,1216 294,1217 0.129,1218 334.759,1219 620.23,1220 808.571,1221 225619,1222 7.1,1223 38.509,1224 0.727,1225 0.549,1226 33.759,1227 29.092,1228 24.877,1229 0.429,1230 0.302,1231 15.612,1232 22.533,1233 15.164,1234 12.365,1235 23.438,1236 17.535,1237 25.459,1238 0.283,1239 0.158,1240 22.124,1241 14.263,1242 18.827,1243 0.162,1244 0.085,1245 18.466,1246 9.814,1247 16.628,1248 0.101,1249 0.046,1250 17.136,1251 7.534,1252 13.709,1253 0.063,1254 0.025,1255 13.954,1256 5.389,1257 0.206,1258 169.871,1259 0.165,1260 44.62,1261 0.347,1262 296,1263 1379.03,1264 391.342,1265 1154.33,1266 1489.44,1267 1064,1268 357,1269 1003.68,1270 450.387,1271 1001.95,1272 1510.08,1273 934,1274 6.469}
{0 CHEMBL411255,1 1.835,2 8.839,3 4.602,4 21.179,5 114.57,6 9.279,7 0.471,8 4.032,9 4.102,10 3.894,11 3.679,12 5.205,13 3.642,14 4.597,15 4.711,16 4.247,17 4.101,18 6.009,19 4.062,20 4.914,21 5.07,22 4.347,23 4.28,24 6.154,25 4.224,26 4.971,27 5.12,28 4.483,29 4.339,30 6.215,31 4.293,32 5.053,33 5.188,34 4.574,35 4.367,36 6.541,37 4.346,38 5.13,39 5.269,40 4.555,41 4.404,42 6.597,43 4.359,44 5.152,45 5.307,46 4.425,47 4.375,48 6.619,49 4.29,50 5.134,51 5.349,52 4.237,53 4.165,54 6.444,55 4.062,56 0.181,57 0.736,58 8.659,59 5.286,60 38.483,61 5.164,62 0.505,63 1.25,64 18.395,65 9.183,66 97.02,67 9.783,68 0.846,69 1.64,70 29.62,71 12.287,72 147.326,73 12.846,74 0.805,75 1.789,76 29.808,77 12.915,78 130.582,79 13.933,80 1.118,81 1.928,82 28.962,83 13.791,84 198.831,85 14.386,86 1.344,87 2.076,88 35.886,89 15.361,90 267.509,91 14.365,92 1.369,93 2.062,94 42.803,95 17.07,96 270.243,97 16.762,98 1.348,99 1.878,100 46.732,101 16.365,102 231.047,103 17.605,104 70,105 52,106 0.305,107 0.665,108 0.81,109 0.862,110 0.862,111 0.862,112 3.474,113 1.052,114 -4.67,115 -4.59,116 -4.32,118 44,120 3,121 1,123 1,124 1,133 6,134 3,135 3,142 2,144 1,145 1,150 1,153 1,154 8,155 1,157 1,158 8,160 1,162 1,164 13,165 1,167 10,170 1,171 13,172 1,174 1,175 8,176 1,179 1,180 12,181 2,183 3,184 10,187 1,189 2,192 11,193 1,195 2,196 9,197 1,200 1,202 15,203 2,205 1,206 12,208 1,210 2,211 11,212 3,215 8,216 2,219 3,222 3,223 2,225 2,226 2,228 2,230 2,233 4,236 1615,237 19.971,238 19.971,239 19.971,240 19.971,241 19.971,242 17.488,243 17.009,244 11.35,245 20.478,246 16.794,247 16.794,248 16.794,249 16.794,250 16.794,251 12.77,252 10.885,253 5.415,254 17.718,255 3.809,256 1.641,257 0.765,258 0.455,259 0.455,260 0.455,261 4.159,262 1,265 1,266 1,267 580,268 4.243,270 49.048,271 209.947,274 191.584,277 1.165,278 67.601,280 1,281 0.83,282 1,283 0.8,284 0.5,285 1,286 1,287 0.88,288 69.333,289 274,290 4.989,291 5.191,292 7.472,293 4.514,294 3.563,295 4.976,296 2.95,297 13.58,298 3.426,299 4.653,300 3.733,301 7.046,302 4.12,303 3.22,304 4.452,305 2.341,306 11.718,307 2.876,308 4.179,309 3.602,310 6.278,311 3.799,312 2.802,313 3.775,315 9.252,316 2.776,317 3.915,318 3.286,319 6.107,320 3.578,321 2.604,322 3.377,324 8.724,325 2.498,326 3.731,327 2.954,328 5.59,329 3.29,330 2.358,331 3.115,333 7.049,334 2.187,335 3.576,336 2.903,337 5.202,338 3.173,339 2.223,340 2.818,342 6.338,343 2.086,344 3.414,345 2.613,346 5.009,347 2.973,348 2.018,349 2.726,351 5.901,352 1.888,353 3.294,354 2.394,355 4.899,356 2.881,357 1.921,358 2.521,360 5.347,361 1.788,362 2.884,363 2.008,364 4.566,365 2.508,366 1.534,367 1.957,369 4.349,370 1.472,371 2.584,372 1.882,373 4.353,374 2.281,375 1.293,376 1.586,378 3.74,379 1.264,380 2.5,381 1.511,382 3.967,383 2.168,384 1.184,385 1.5,387 3.016,388 1.147,389 2.498,390 1.263,391 3.616,392 2,393 1,394 1.438,395 2.275,396 1,397 2.093,398 1,399 3.414,400 1.672,401 0.662,402 0.908,403 1.773,404 0.649,405 1.203,406 0.757,407 3.037,408 0.941,409 -0.033,410 -0.037,411 -0.088,412 -0.031,413 1.114,414 0.634,415 2.822,416 0.621,417 -0.244,418 -0.306,419 -0.537,420 -0.168,421 14.9,422 0.481,423 1.184,424 0.038,425 39.5,426 1.274,427 20,428 0.645,429 19.5,430 0.629,431 30.212,432 0.975,433 33.7,434 0.674,435 35.58,436 1.148,437 7.392,438 0.238,439 7.182,440 0.232,441 0.213,442 0.056,443 0.396,445 1,447 0.547,448 1.018,449 0.673,450 1.034,451 0.609,452 0.852,453 0.543,454 1.031,455 0.78,456 1.004,457 0.459,458 0.897,459 0.985,460 0.894,461 0.911,462 0.831,463 0.931,464 0.9,465 0.765,466 0.938,467 0.76,468 0.958,469 0.826,470 0.948,471 0.816,472 1.11,473 0.662,474 0.989,475 0.927,476 0.972,477 1.204,478 1.081,479 0.982,480 1.033,481 1.231,482 1.056,483 1.053,484 1.148,485 1.161,486 1.254,487 1.077,488 1.224,489 1.155,490 1.033,491 0.936,492 1.014,493 1.224,494 1.087,495 8,496 0.111,497 3.778,498 3.424,499 3.098,500 2.494,501 1.462,502 0.8,503 0.701,504 0.232,505 9908,506 38560,507 2.001,508 38,509 2,510 11,513 1,514 3,515 2,517 1.751,518 1.797,519 3.046,520 -0.297,525 91.765,526 1.835,527 4.003,528 4.879,529 5.189,530 5.189,531 5.189,532 2.465,533 4.478,534 4.923,535 3.227,536 1500.44,537 8.681,538 20062.9,542 282.193,543 1.721,544 4.837,545 0.235,546 0.012,547 0.073,548 0.061,549 0.05,550 0.037,551 0.023,552 0.015,553 0.018,554 0.009,555 0.534,556 0.17,557 0.88,558 1.079,559 154.457,560 0.008,561 -0.017,562 0.102,563 0.013,564 -0.07,565 0.053,566 0.104,567 -0.06,568 0.002,569 -0.026,570 0.186,571 0.033,572 -0.164,573 0.073,574 -0.076,575 0.094,576 -0.112,577 0.053,578 -0.008,579 -0.009,580 0.035,581 -0.028,582 -0.061,583 0.002,584 0.115,585 -0.085,586 0.052,587 -0.076,588 0.049,589 -0.056,590 -0.134,591 0.002,592 -0.14,593 -0.052,594 -0.104,595 -0.137,596 -0.055,597 -0.132,598 -0.218,599 -0.198,600 -0.02,601 -0.243,602 -0.118,603 -0.102,604 0.035,605 -0.05,606 -0.158,607 -0.04,608 4.796,609 6.608,610 0.613,611 25.326,612 1.03,613 1.118,614 3.444,615 11.859,616 0.707,617 3.555,618 3.97,619 4.263,620 4.654,621 5.024,622 5.231,623 5.447,624 5.583,625 5.67,626 5.74,627 5.517,628 0.685,629 463.94,630 3.555,631 5.153,632 6.033,633 6.974,634 7.894,635 8.845,636 9.783,637 10.739,638 11.687,639 12.646,640 2,645 1,650 2,651 6,656 6,657 1,658 16,660 1,669 2,670 50,671 20,672 2,673 34,675 53,676 22,677 14,678 6,679 6,680 1,681 4,682 7,683 1,688 2,689 1,691 3,693 16,694 6,695 1,696 4,697 1,698 4,701 2,704 1,705 1,707 19,708 6,709 1,710 9,711 2,714 1,717 0.5,718 5,727 1,730 1,731 3,734 2,739 1,746 1,748 2,750 1,752 1,753 1,754 1,756 31,757 1,759 1,760 4,764 1,772 2,773 10,775 1,776 4,779 17.25,780 9.352,781 6.5,782 2.974,785 3.19,786 1.396,787 0.987,788 5.61,789 11.251,790 3.85,791 4.551,792 5.141,793 5.844,794 6.503,795 6.959,796 7.438,797 7.821,798 8.141,799 8.499,800 0.833,801 56,802 11.975,803 5.825,804 8.307,805 21.346,806 18.6,807 2.807,808 87.028,811 1,812 211.88,813 113.864,814 1.899,815 39.149,816 137.286,817 14.96,818 6.046,819 107.818,820 388.315,821 16.859,822 7.19,823 9.709,824 62.903,825 143.33,826 25.016,827 19.861,828 211.88,829 39.149,830 211.88,831 109.717,832 152.246,833 45.195,835 203.298,836 160.828,839 11.608,840 98.109,841 45.195,843 226.84,844 139.185,845 153.012,847 6.046,848 211.88,849 43.77,850 65.947,852 191.395,853 211.88,854 154.145,855 153.012,857 0.603,858 0.337,859 0.194,860 0.129,861 27,862 14,863 0.094,864 5,865 2,866 1.211,867 3.785,868 312.286,869 0.211,870 19,871 145.58,873 1,874 21.853,875 7.958,876 3.97,877 0.416,878 152.246,879 8.263,884 0.253,885 1.702,886 42.683,887 519.038,888 46,889 -3.88,890 50.161,893 -1.479,895 51.487,896 55.901,897 0.325,898 0.709,899 0.864,900 0.919,901 0.919,902 0.919,903 5.142,904 1.921,905 6.098,906 5.901,907 4.654,908 5.239,909 3.295,910 7.033,911 4.558,912 6.425,913 1.534,914 7.738,915 5.347,916 4.575,917 5.472,918 2.243,919 8.287,920 4.359,921 7.808,922 1.293,923 9.487,924 4.349,925 6.399,926 7.63,927 5.242,928 11.419,929 6.202,930 9.228,931 1.184,932 11.299,933 3.74,934 7.074,935 8.639,936 4.112,937 13.481,938 6.768,939 10.683,940 1,941 13.153,942 3.016,943 8.483,944 10.391,945 7.313,946 16.222,947 8.178,948 12.163,949 0.662,950 15.037,951 2.275,952 9.483,953 11.728,954 5.889,955 18.605,956 9.093,957 13.663,958 -0.033,959 16.942,960 1.773,961 10.761,962 13.353,963 9.427,964 21.23,965 10.351,966 3.563,967 -0.244,968 18.865,969 -0.088,970 11.9,971 14.83,972 7.625,973 23.737,974 11.428,975 3.22,976 13.58,977 20.802,978 -0.537,979 13.142,980 16.418,981 11.56,982 26.331,983 12.639,984 2.802,985 11.718,986 22.749,987 4.976,988 14.341,989 17.954,990 9.342,991 28.888,992 13.79,993 2.604,994 9.252,995 24.705,996 4.452,997 15.579,998 19.535,999 13.706,1000 31.477,1001 14.993,1002 2.358,1003 8.724,1004 26.668,1005 3.775,1006 16.806,1007 21.099,1008 11.051,1009 34.056,1010 16.178,1011 2.223,1012 7.049,1013 28.637,1014 3.377,1015 18.048,1016 22.681,1017 15.858,1018 36.647,1019 17.385,1020 2.018,1021 6.338,1022 30.611,1023 3.115,1024 19.288,1025 24.258,1026 12.755,1027 39.236,1028 18.588,1029 9807,1030 19453,1031 21.501,1032 35.335,1033 53.442,1034 57.003,1035 55.51,1036 53.139,1037 52.764,1038 70.299,1039 10.582,1040 166.124,1041 50.117,1042 5.939,1043 7.191,1044 6.99,1045 5.562,1046 5.563,1047 7.976,1048 5.9,1049 21.636,1050 5.426,1051 20.069,1052 1.572,1053 1.677,1054 1.633,1055 1.563,1056 1.552,1057 2.068,1058 0.311,1059 4.886,1060 1.474,1061 4.24,1062 4.25,1063 4.744,1064 4.202,1065 8.201,1066 4.168,1067 3.924,1068 3.919,1069 4.117,1070 3.892,1071 7.716,1072 3.848,1073 3.875,1074 3.882,1075 3.973,1076 3.812,1077 7.474,1078 3.76,1079 3.655,1080 3.663,1081 3.616,1082 3.551,1083 7.427,1084 3.516,1085 3.455,1086 3.485,1087 3.477,1088 3.246,1089 6.999,1090 3.258,1091 3.364,1092 3.38,1093 3.37,1094 3.236,1095 6.351,1096 3.247,1097 3.075,1098 3.12,1099 3.15,1100 2.908,1101 4.935,1102 2.916,1103 2.968,1104 2.998,1105 2.908,1106 2.753,1107 4.795,1108 2.764,1109 0.147,1110 0.153,1111 0.22,1112 0.133,1113 0.105,1114 4.989,1115 0.146,1116 5.191,1117 0.087,1118 7.472,1119 0.399,1120 4.514,1121 0.101,1122 3.563,1123 4.976,1124 2.95,1125 13.58,1126 3.426,1127 2.015,1128 2.029,1129 2.061,1130 2.084,1131 1.431,1132 2.1,1133 1.923,1134 1.897,1135 2.009,1136 2.037,1137 1.289,1138 2.051,1139 1.847,1140 1.816,1141 1.93,1142 1.935,1143 1.073,1144 1.958,1145 1.561,1146 1.579,1147 1.638,1148 1.707,1149 0.943,1150 1.746,1151 1.382,1152 1.347,1153 1.578,1154 1.623,1155 0.823,1156 1.619,1157 1.318,1158 1.298,1159 1.409,1160 1.464,1161 0.626,1162 1.451,1163 1.014,1164 0.95,1165 1.27,1166 1.272,1167 0.453,1168 1.271,1169 0.886,1170 0.861,1171 1.181,1172 1.136,1173 0.227,1174 1.121,1175 4.234,1177 5.624,1178 2.398,1179 7.201,1180 4.949,1181 8.874,1182 7.273,1183 10.604,1185 0.961,1186 5.933,1187 14.411,1189 9.406,1190 1.38,1194 -0.5,1199 34.261,1200 91.765,1201 200.154,1202 243.928,1203 259.438,1204 259.438,1205 259.438,1206 105.267,1207 8.061,1208 93.44,1209 101.82,1210 23,1211 13.132,1212 4.392,1213 3.7,1214 48.649,1215 97,1216 128,1217 0.243,1218 213.319,1219 378,1220 512.259,1221 31888,1222 4,1223 22.499,1224 0.726,1225 0.585,1226 22.379,1227 18.134,1228 14.574,1229 0.429,1230 0.351,1231 9.729,1232 12.972,1233 9.314,1234 7.603,1235 15.364,1236 11.923,1237 14.808,1238 0.285,1239 0.196,1240 15.939,1241 10.176,1242 11.177,1243 0.16,1244 0.1,1245 11.913,1246 6.982,1247 9.965,1248 0.096,1249 0.052,1250 10.574,1251 5.43,1252 9.217,1253 0.061,1254 0.029,1255 9.562,1256 4.333,1257 0.359,1258 103.701,1259 0.216,1260 27.799,1261 0.751,1262 172,1263 625.912,1264 237.589,1265 622.235,1266 804.92,1267 568,1268 208,1269 521.745,1270 272.817,1271 561.755,1272 822.76,1273 526,1274 4.605}
{0 CHEMBL412070,1 1.835,2 8.839,3 4.602,4 21.179,5 114.57,6 9.279,7 0.471,8 4.032,9 4.102,10 3.894,11 3.679,12 5.205,13 3.642,14 4.597,15 4.711,16 4.247,17 4.101,18 6.009,19 4.062,20 4.914,21 5.07,22 4.347,23 4.28,24 6.154,25 4.224,26 4.971,27 5.12,28 4.483,29 4.339,30 6.215,31 4.293,32 5.053,33 5.188,34 4.574,35 4.367,36 6.541,37 4.346,38 5.13,39 5.269,40 4.555,41 4.404,42 6.597,43 4.359,44 5.152,45 5.307,46 4.425,47 4.375,48 6.619,49 4.29,50 5.134,51 5.349,52 4.237,53 4.165,54 6.444,55 4.062,56 0.181,57 0.736,58 8.659,59 5.286,60 38.483,61 5.164,62 0.505,63 1.25,64 18.395,65 9.183,66 97.02,67 9.783,68 0.846,69 1.64,70 29.62,71 12.287,72 147.326,73 12.846,74 0.805,75 1.789,76 29.808,77 12.915,78 130.582,79 13.933,80 1.118,81 1.928,82 28.962,83 13.791,84 198.831,85 14.386,86 1.344,87 2.076,88 35.886,89 15.361,90 267.509,91 14.365,92 1.369,93 2.062,94 42.803,95 17.07,96 270.243,97 16.762,98 1.348,99 1.878,100 46.732,101 16.365,102 231.047,103 17.605,104 70,105 52,106 0.305,107 0.665,108 0.81,109 0.862,110 0.862,111 0.862,112 3.474,113 1.052,114 -4.67,115 -4.59,116 -4.32,118 44,120 3,121 1,123 1,124 1,133 6,134 3,135 3,142 2,144 1,145 1,150 1,153 1,154 8,155 1,157 1,158 8,160 1,162 1,164 13,165 1,167 10,170 1,171 13,172 1,174 1,175 8,176 1,179 1,180 12,181 2,183 3,184 10,187 1,189 2,192 11,193 1,195 2,196 9,197 1,200 1,202 15,203 2,205 1,206 12,208 1,210 2,211 11,212 3,215 8,216 2,219 3,222 3,223 2,225 2,226 2,228 2,230 2,233 4,236 1615,237 19.971,238 19.971,239 19.971,240 19.971,241 19.971,242 17.488,243 17.009,244 11.35,245 20.478,246 16.794,247 16.794,248 16.794,249 16.794,250 16.794,251 12.77,252 10.885,253 5.415,254 17.718,255 3.809,256 1.641,257 0.765,258 0.455,259 0.455,260 0.455,261 4.159,262 1,265 1,266 1,267 580,268 4.243,270 49.048,271 209.947,274 191.584,277 1.165,278 67.601,280 1,281 0.83,282 1,283 0.8,284 0.5,285 1,286 1,287 0.88,288 69.333,289 274,290 4.989,291 5.191,292 7.472,293 4.514,294 3.563,295 4.976,296 2.95,297 13.58,298 3.426,299 4.653,300 3.733,301 7.046,302 4.12,303 3.22,304 4.452,305 2.341,306 11.718,307 2.876,308 4.179,309 3.602,310 6.278,311 3.799,312 2.802,313 3.775,315 9.252,316 2.776,317 3.915,318 3.286,319 6.107,320 3.578,321 2.604,322 3.377,324 8.724,325 2.498,326 3.731,327 2.954,328 5.59,329 3.29,330 2.358,331 3.115,333 7.049,334 2.187,335 3.576,336 2.903,337 5.202,338 3.173,339 2.223,340 2.818,342 6.338,343 2.086,344 3.414,345 2.613,346 5.009,347 2.973,348 2.018,349 2.726,351 5.901,352 1.888,353 3.294,354 2.394,355 4.899,356 2.881,357 1.921,358 2.521,360 5.347,361 1.788,362 2.884,363 2.008,364 4.566,365 2.508,366 1.534,367 1.957,369 4.349,370 1.472,371 2.584,372 1.882,373 4.353,374 2.281,375 1.293,376 1.586,378 3.74,379 1.264,380 2.5,381 1.511,382 3.967,383 2.168,384 1.184,385 1.5,387 3.016,388 1.147,389 2.498,390 1.263,391 3.616,392 2,393 1,394 1.438,395 2.275,396 1,397 2.093,398 1,399 3.414,400 1.672,401 0.662,402 0.908,403 1.773,404 0.649,405 1.203,406 0.757,407 3.037,408 0.941,409 -0.033,410 -0.037,411 -0.088,412 -0.031,413 1.114,414 0.634,415 2.822,416 0.621,417 -0.244,418 -0.306,419 -0.537,420 -0.168,421 14.9,422 0.481,423 1.184,424 0.038,425 39.5,426 1.274,427 20,428 0.645,429 19.5,430 0.629,431 30.212,432 0.975,433 33.7,434 0.674,435 35.58,436 1.148,437 7.392,438 0.238,439 7.182,440 0.232,441 0.213,442 0.056,443 0.396,445 1,447 0.547,448 1.018,449 0.673,450 1.034,451 0.609,452 0.852,453 0.543,454 1.031,455 0.78,456 1.004,457 0.459,458 0.897,459 0.985,460 0.894,461 0.911,462 0.831,463 0.931,464 0.9,465 0.765,466 0.938,467 0.76,468 0.958,469 0.826,470 0.948,471 0.816,472 1.11,473 0.662,474 0.989,475 0.927,476 0.972,477 1.204,478 1.081,479 0.982,480 1.033,481 1.231,482 1.056,483 1.053,484 1.148,485 1.161,486 1.254,487 1.077,488 1.224,489 1.155,490 1.033,491 0.936,492 1.014,493 1.224,494 1.087,495 8,496 0.111,497 3.778,498 3.424,499 3.098,500 2.494,501 1.462,502 0.8,503 0.701,504 0.232,505 9908,506 38560,507 2.001,508 38,509 2,510 11,513 1,514 3,515 2,517 1.751,518 1.797,519 3.046,520 -0.297,525 91.765,526 1.835,527 4.003,528 4.879,529 5.189,530 5.189,531 5.189,532 2.465,533 4.478,534 4.923,535 3.227,536 1500.44,537 8.681,538 20062.9,542 282.193,543 1.721,544 4.837,545 0.235,546 0.012,547 0.073,548 0.061,549 0.05,550 0.037,551 0.023,552 0.015,553 0.018,554 0.009,555 0.534,556 0.17,557 0.88,558 1.079,559 154.457,560 0.008,561 -0.017,562 0.102,563 0.013,564 -0.07,565 0.053,566 0.104,567 -0.06,568 0.002,569 -0.026,570 0.186,571 0.033,572 -0.164,573 0.073,574 -0.076,575 0.094,576 -0.112,577 0.053,578 -0.008,579 -0.009,580 0.035,581 -0.028,582 -0.061,583 0.002,584 0.115,585 -0.085,586 0.052,587 -0.076,588 0.049,589 -0.056,590 -0.134,591 0.002,592 -0.14,593 -0.052,594 -0.104,595 -0.137,596 -0.055,597 -0.132,598 -0.218,599 -0.198,600 -0.02,601 -0.243,602 -0.118,603 -0.102,604 0.035,605 -0.05,606 -0.158,607 -0.04,608 4.796,609 6.608,610 0.613,611 25.326,612 1.03,613 1.118,614 3.444,615 11.859,616 0.707,617 3.555,618 3.97,619 4.263,620 4.654,621 5.024,622 5.231,623 5.447,624 5.583,625 5.67,626 5.74,627 5.517,628 0.685,629 463.94,630 3.555,631 5.153,632 6.033,633 6.974,634 7.894,635 8.845,636 9.783,637 10.739,638 11.687,639 12.646,640 2,645 1,650 2,651 6,656 6,657 1,658 16,660 1,669 2,670 50,671 20,672 2,673 34,675 53,676 22,677 14,678 6,679 6,680 1,681 4,682 7,683 1,688 2,689 1,691 3,693 16,694 6,695 1,696 4,697 1,698 4,701 2,704 1,705 1,707 19,708 6,709 1,710 9,711 2,714 1,717 0.5,718 5,727 1,730 1,731 3,734 2,739 1,746 1,748 2,750 1,752 1,753 1,754 1,756 31,757 1,759 1,760 4,764 1,772 2,773 10,775 1,776 4,779 17.25,780 9.352,781 6.5,782 2.974,785 3.19,786 1.396,787 0.987,788 5.61,789 11.251,790 3.85,791 4.551,792 5.141,793 5.844,794 6.503,795 6.959,796 7.438,797 7.821,798 8.141,799 8.499,800 0.833,801 56,802 11.975,803 5.825,804 8.307,805 21.346,806 18.6,807 2.807,808 87.028,811 1,812 211.88,813 113.864,814 1.899,815 39.149,816 137.286,817 14.96,818 6.046,819 107.818,820 388.315,821 16.859,822 7.19,823 9.709,824 62.903,825 143.33,826 25.016,827 19.861,828 211.88,829 39.149,830 211.88,831 109.717,832 152.246,833 45.195,835 203.298,836 160.828,839 11.608,840 98.109,841 45.195,843 226.84,844 139.185,845 153.012,847 6.046,848 211.88,849 43.77,850 65.947,852 191.395,853 211.88,854 154.145,855 153.012,857 0.603,858 0.337,859 0.194,860 0.129,861 27,862 14,863 0.094,864 5,865 2,866 1.211,867 3.785,868 312.286,869 0.211,870 19,871 145.58,873 1,874 21.853,875 7.958,876 3.97,877 0.416,878 152.246,879 8.263,884 0.253,885 1.702,886 42.683,887 519.038,888 46,889 -3.88,890 50.161,893 -1.479,895 51.487,896 55.901,897 0.325,898 0.709,899 0.864,900 0.919,901 0.919,902 0.919,903 5.142,904 1.921,905 6.098,906 5.901,907 4.654,908 5.239,909 3.295,910 7.033,911 4.558,912 6.425,913 1.534,914 7.738,915 5.347,916 4.575,917 5.472,918 2.243,919 8.287,920 4.359,921 7.808,922 1.293,923 9.487,924 4.349,925 6.399,926 7.63,927 5.242,928 11.419,929 6.202,930 9.228,931 1.184,932 11.299,933 3.74,934 7.074,935 8.639,936 4.112,937 13.481,938 6.768,939 10.683,940 1,941 13.153,942 3.016,943 8.483,944 10.391,945 7.313,946 16.222,947 8.178,948 12.163,949 0.662,950 15.037,951 2.275,952 9.483,953 11.728,954 5.889,955 18.605,956 9.093,957 13.663,958 -0.033,959 16.942,960 1.773,961 10.761,962 13.353,963 9.427,964 21.23,965 10.351,966 3.563,967 -0.244,968 18.865,969 -0.088,970 11.9,971 14.83,972 7.625,973 23.737,974 11.428,975 3.22,976 13.58,977 20.802,978 -0.537,979 13.142,980 16.418,981 11.56,982 26.331,983 12.639,984 2.802,985 11.718,986 22.749,987 4.976,988 14.341,989 17.954,990 9.342,991 28.888,992 13.79,993 2.604,994 9.252,995 24.705,996 4.452,997 15.579,998 19.535,999 13.706,1000 31.477,1001 14.993,1002 2.358,1003 8.724,1004 26.668,1005 3.775,1006 16.806,1007 21.099,1008 11.051,1009 34.056,1010 16.178,1011 2.223,1012 7.049,1013 28.637,1014 3.377,1015 18.048,1016 22.681,1017 15.858,1018 36.647,1019 17.385,1020 2.018,1021 6.338,1022 30.611,1023 3.115,1024 19.288,1025 24.258,1026 12.755,1027 39.236,1028 18.588,1029 9807,1030 19453,1031 21.501,1032 35.335,1033 53.442,1034 57.003,1035 55.51,1036 53.139,1037 52.764,1038 70.299,1039 10.582,1040 166.124,1041 50.117,1042 5.939,1043 7.191,1044 6.99,1045 5.562,1046 5.563,1047 7.976,1048 5.9,1049 21.636,1050 5.426,1051 20.069,1052 1.572,1053 1.677,1054 1.633,1055 1.563,1056 1.552,1057 2.068,1058 0.311,1059 4.886,1060 1.474,1061 4.24,1062 4.25,1063 4.744,1064 4.202,1065 8.201,1066 4.168,1067 3.924,1068 3.919,1069 4.117,1070 3.892,1071 7.716,1072 3.848,1073 3.875,1074 3.882,1075 3.973,1076 3.812,1077 7.474,1078 3.76,1079 3.655,1080 3.663,1081 3.616,1082 3.551,1083 7.427,1084 3.516,1085 3.455,1086 3.485,1087 3.477,1088 3.246,1089 6.999,1090 3.258,1091 3.364,1092 3.38,1093 3.37,1094 3.236,1095 6.351,1096 3.247,1097 3.075,1098 3.12,1099 3.15,1100 2.908,1101 4.935,1102 2.916,1103 2.968,1104 2.998,1105 2.908,1106 2.753,1107 4.795,1108 2.764,1109 0.147,1110 0.153,1111 0.22,1112 0.133,1113 0.105,1114 4.989,1115 0.146,1116 5.191,1117 0.087,1118 7.472,1119 0.399,1120 4.514,1121 0.101,1122 3.563,1123 4.976,1124 2.95,1125 13.58,1126 3.426,1127 2.015,1128 2.029,1129 2.061,1130 2.084,1131 1.431,1132 2.1,1133 1.923,1134 1.897,1135 2.009,1136 2.037,1137 1.289,1138 2.051,1139 1.847,1140 1.816,1141 1.93,1142 1.935,1143 1.073,1144 1.958,1145 1.561,1146 1.579,1147 1.638,1148 1.707,1149 0.943,1150 1.746,1151 1.382,1152 1.347,1153 1.578,1154 1.623,1155 0.823,1156 1.619,1157 1.318,1158 1.298,1159 1.409,1160 1.464,1161 0.626,1162 1.451,1163 1.014,1164 0.95,1165 1.27,1166 1.272,1167 0.453,1168 1.271,1169 0.886,1170 0.861,1171 1.181,1172 1.136,1173 0.227,1174 1.121,1175 4.234,1177 5.624,1178 2.398,1179 7.201,1180 4.949,1181 8.874,1182 7.273,1183 10.604,1185 0.961,1186 5.933,1187 14.411,1189 9.406,1190 1.38,1194 -0.5,1199 34.261,1200 91.765,1201 200.154,1202 243.928,1203 259.438,1204 259.438,1205 259.438,1206 105.267,1207 8.061,1208 93.44,1209 101.82,1210 23,1211 13.132,1212 4.392,1213 3.7,1214 48.649,1215 97,1216 128,1217 0.243,1218 213.319,1219 378,1220 512.259,1221 31888,1222 4,1223 22.499,1224 0.726,1225 0.585,1226 22.379,1227 18.134,1228 14.574,1229 0.429,1230 0.351,1231 9.729,1232 12.972,1233 9.314,1234 7.603,1235 15.364,1236 11.923,1237 14.808,1238 0.285,1239 0.196,1240 15.939,1241 10.176,1242 11.177,1243 0.16,1244 0.1,1245 11.913,1246 6.982,1247 9.965,1248 0.096,1249 0.052,1250 10.574,1251 5.43,1252 9.217,1253 0.061,1254 0.029,1255 9.562,1256 4.333,1257 0.359,1258 103.701,1259 0.216,1260 27.799,1261 0.751,1262 172,1263 625.912,1264 237.589,1265 622.235,1266 804.92,1267 568,1268 208,1269 521.745,1270 272.817,1271 561.755,1272 822.76,1273 526,1274 4.677}
{0 CHEMBL415310,1 1.68,2 15.878,3 7.644,4 58.434,5 180.189,6 8.56,7 0.556,8 4.487,9 4.572,10 4.252,11 4.113,12 5.653,13 4.09,14 5.039,15 5.158,16 4.643,17 4.512,18 6.572,19 4.485,20 5.328,21 5.471,22 4.853,23 4.726,24 6.638,25 4.691,26 5.513,27 5.663,28 4.991,29 4.801,30 7.066,31 4.777,32 5.633,33 5.812,34 4.963,35 4.834,36 7.016,37 4.796,38 5.576,39 5.76,40 4.838,41 4.783,42 7.13,43 4.726,44 5.432,45 5.624,46 4.598,47 4.684,48 6.68,49 4.611,50 5.325,51 5.517,52 4.529,53 4.602,54 6.541,55 4.529,56 0.178,57 1.267,58 14.78,59 7.976,60 37.061,61 8.446,62 1.161,63 2.48,64 27.525,65 13.485,66 189.351,67 14.625,68 1.073,69 2.741,70 39.803,71 18.537,72 131.189,73 20.659,74 1.599,75 3.432,76 51.021,77 21.417,78 251.149,79 22.755,80 1.958,81 3.985,82 69.288,83 25.353,84 291.871,85 24.308,86 2.091,87 3.403,88 65.928,89 24.709,90 379.364,91 26.352,92 1.151,93 2.792,94 51.392,95 21.069,96 190.59,97 23.811,98 0.83,99 2.72,100 45.414,101 19.334,102 120.372,103 22.484,104 69,105 80,106 0.251,107 0.502,108 0.63,109 0.776,110 0.866,111 0.881,112 3.915,113 0.936,114 -6.13,115 -5.97,116 -5.55,118 47.5,120 2,123 1,124 1,126 1,127 1,133 21,134 7,135 2,145 2,154 30,157 2,158 6,160 3,164 34,166 1,167 16,168 1,170 3,171 27,174 2,175 22,179 5,180 21,183 2,184 21,189 5,192 28,196 18,200 3,202 35,206 14,210 1,211 36,215 10,222 33,225 2,226 5,228 1,233 30,236 5213,237 32.68,238 32.68,239 32.68,240 32.68,241 32.68,242 28.63,243 27.702,244 18.794,245 33.284,246 26.513,247 26.513,248 26.513,249 26.513,250 26.513,251 20.377,252 29.218,253 8.69,254 27.47,255 4.642,256 2.956,257 2.097,258 1.119,259 0.519,260 0.419,261 4.618,267 1692,268 5.431,271 722.603,273 163.028,276 488.284,277 2.395,278 94.001,280 0.5,281 0.5,282 0.83,283 0.5,284 0.5,285 0.83,286 1,287 0.67,288 108.5,289 778,290 4.986,291 4.75,292 8.677,293 4.82,294 3.899,295 4.76,296 3.02,297 17.385,298 3.607,299 4.863,300 4.671,301 7.43,302 4.369,303 3.444,304 4.131,305 2.219,306 13.041,307 3.171,308 4.482,309 3.772,310 6.815,311 4.184,312 3.207,313 4.034,314 1.23,315 11.211,316 3.135,317 4.203,318 3.716,319 6.3,320 3.801,321 2.809,322 3.837,323 1.095,324 9.454,325 2.78,326 4.164,327 3.037,328 6.273,329 3.768,330 2.776,331 3.783,332 0.521,333 9.249,334 2.745,335 3.82,336 2.922,337 6.195,338 3.465,339 2.524,340 3.313,341 0.109,342 8.284,343 2.447,344 3.753,345 2.865,346 5.635,347 3.386,348 2.466,349 3.155,351 7.483,352 2.234,353 3.586,354 2.792,355 5.462,356 3.241,357 2.245,358 2.858,360 6.647,361 2.218,362 3.458,363 2.575,364 5.295,365 3.067,366 2.09,367 2.609,369 6.071,370 1.96,371 3.273,372 2.077,373 4.925,374 2.821,375 1.827,376 2.55,378 5.175,379 1.807,380 2.976,381 2.039,382 4.623,383 2.571,384 1.57,385 2.158,387 4.407,388 1.571,389 2.941,390 1.847,391 4.361,392 2.53,393 1.536,394 2.113,395 3.603,396 1.521,397 2.903,398 1.658,399 4.171,400 2.464,401 1.477,402 2.025,403 3.547,404 1.441,405 2.851,406 1.499,407 3.983,408 2.414,409 1.414,410 1.989,411 3.047,412 1.414,413 2.709,414 1.407,415 3.659,416 2.211,417 1.216,418 1.788,419 2.897,420 1.208,421 23.157,422 0.473,423 1.472,424 0.03,425 66.75,426 1.362,427 36.5,428 0.745,429 30.25,430 0.617,431 47.543,432 0.97,433 51.843,434 0.648,435 72.233,436 1.474,437 13.479,438 0.275,439 9.98,440 0.204,441 0.116,442 0.079,443 0.255,444 3,447 0.52,448 0.955,449 0.713,450 1.074,451 0.584,452 0.882,453 0.507,454 0.766,455 0.785,456 0.919,457 0.469,458 0.916,459 0.617,460 0.982,461 0.793,462 1.045,463 0.706,464 0.974,465 0.877,466 1.081,467 0.949,468 1.116,469 0.827,470 1.035,471 1.459,472 1.096,473 1.24,474 1.029,475 1.496,476 0.978,477 1.018,478 0.915,479 1.165,480 1.028,481 1.044,482 0.975,483 0.981,484 0.81,485 1.003,486 0.927,487 1.047,488 1.001,489 0.845,490 1.035,491 0.982,492 1.093,493 0.814,494 1.09,495 11,496 0.405,497 8,498 5.813,499 3.396,500 3.09,501 1.522,502 1.033,503 0.747,504 0.561,505 44826,506 138289,507 2.058,508 38.8,509 4,510 26,513 1,517 1.847,518 1.903,519 3.831,520 -0.414,525 134.388,526 1.68,527 3.365,528 4.225,529 5.203,530 5.803,531 5.903,532 3.215,533 5.273,534 5.593,535 4.117,536 4841.45,537 9.937,538 95768.6,542 505.754,543 1.656,544 5.523,545 0.204,546 0.007,547 0.1,548 0.061,549 0.033,550 0.032,551 0.017,552 0.014,553 0.011,554 0.009,555 0.485,556 0.17,557 0.63,558 0.73,559 292.009,560 0.023,561 -0.039,562 0.133,563 -0.034,564 -0.092,565 0.031,566 0.337,567 0.235,568 0.057,569 0.05,570 0.29,571 -0.012,572 0.175,573 -0.087,574 0.113,575 -0.06,576 0.042,577 -0.025,578 0.146,579 -0.096,580 0.041,581 -0.128,582 0.204,583 -0.11,584 -0.189,585 0.048,586 -0.111,587 0.013,588 -0.196,589 -0.031,590 0.077,591 0.054,592 -0.056,593 0.016,594 0.151,595 0.017,596 -0.12,597 -0.004,598 -0.068,599 0.032,600 -0.118,601 0.006,602 -0.046,603 -0.13,604 -0.053,605 -0.115,606 -0.035,607 -0.071,608 6.547,609 6.878,610 0.694,611 59.384,612 1.02,613 1.12,614 4.898,615 23.992,616 0.699,617 4.007,618 4.394,619 4.718,620 4.997,621 5.182,622 5.273,623 5.425,624 5.565,625 5.673,626 5.793,627 9.517,628 0.68,629 684.78,630 4.007,631 5.595,632 6.479,633 7.397,634 8.298,635 9.22,636 10.127,637 11.051,638 11.96,639 12.886,640 2.5,644 2,651 21,656 9,658 30,662 1,670 80,671 34,672 5,673 54,675 85,676 38,677 30,678 9,679 21,680 1,681 6,682 9,685 1,688 2,690 1,691 2,693 32,694 6,695 1,696 4,697 1,698 4,701 2,705 3,707 31,708 10,709 1,710 11,711 1,714 2,717 0.667,718 5,731 5,733 1,736 2,747 1,748 4,750 1,752 1,754 3,756 49,758 1,760 3,761 1,762 1,765 1,766 2,772 3,773 6.3,776 4,777 1,779 25.75,780 14.629,781 10.59,782 4.592,785 5.772,786 1.608,787 1.007,788 9.395,789 15.259,790 4.304,791 4.931,792 5.49,793 6.052,794 6.546,795 6.725,796 7.132,797 7.492,798 7.852,799 8.201,800 1,801 96,802 20.988,803 12.072,804 8.158,805 33.806,806 28.634,807 2.658,808 130.25,812 353.133,813 266.642,814 19.529,816 105.603,817 44.88,818 5.807,819 260.834,820 458.736,821 64.41,822 10.883,823 26.704,824 204.809,825 115.012,826 71.487,828 353.133,829 7.76,830 353.133,831 280.364,832 150.483,833 5.807,835 353.133,836 139.483,837 11,839 34.464,840 245.9,841 5.807,843 398.013,844 125.132,845 266.642,847 5.807,848 360.893,849 43.191,850 213.009,851 16.405,852 150.483,853 353.133,854 170.012,855 266.642,857 0.595,858 0.366,859 0.205,860 0.104,861 39,862 18,863 0.094,864 8,865 2,866 1.118,867 5.243,868 564.595,869 0.118,870 34,871 256.366,873 1,874 33.984,875 13.547,876 6.469,878 170.012,879 33.936,884 3.81,886 16.405,887 789.787,888 73,889 -4.842,890 54.367,893 -2.042,895 81.592,896 89.626,897 0.266,898 0.532,899 0.668,900 0.823,901 0.918,902 0.934,903 5.578,904 2.245,905 6.532,906 7.483,907 5.081,908 5.62,909 3.353,910 7.488,911 5.011,912 6.83,913 2.09,914 8.197,915 6.647,916 4.977,917 5.608,918 3.344,919 9.017,920 4.786,921 8.192,922 1.827,923 9.995,924 6.071,925 6.872,926 7.882,927 4.889,928 12.17,929 6.695,930 9.599,931 1.57,932 11.882,933 5.175,934 7.621,935 8.683,936 5.635,937 14.59,938 7.313,939 11.045,940 1.536,941 13.83,942 4.407,943 9.074,944 10.483,945 6.835,946 17.455,947 8.748,948 12.52,949 1.477,950 15.824,951 3.603,952 10.168,953 11.649,954 7.822,955 20.165,956 9.723,957 14.017,958 1.414,959 17.851,960 3.547,961 11.5,962 13.271,963 8.938,964 22.994,965 11.006,966 3.899,967 1.216,968 19.906,969 3.047,970 12.732,971 14.614,972 10.001,973 25.795,974 12.133,975 3.444,976 17.385,977 21.981,978 2.897,979 14.042,980 16.167,981 11.101,982 28.63,983 13.373,984 3.207,985 13.041,986 24.073,987 4.76,988 15.33,989 17.6,990 12.189,991 31.462,992 14.566,993 2.809,994 11.211,995 26.178,996 4.131,997 16.646,998 19.131,999 13.289,1000 34.306,1001 15.802,1002 2.776,1003 9.454,1004 28.294,1005 4.034,1006 17.96,1007 20.612,1008 14.386,1009 37.15,1010 17.026,1011 2.524,1012 9.249,1013 30.418,1014 3.837,1015 19.286,1016 22.14,1017 15.487,1018 39.999,1019 18.268,1020 2.466,1021 8.284,1022 32.549,1023 3.783,1024 20.614,1025 23.648,1026 16.588,1027 42.849,1028 19.51,1029 41935,1030 74160,1031 35.364,1032 55.926,1033 83.317,1034 84.943,1035 86.454,1036 82.459,1037 82.265,1038 108.608,1039 16.389,1040 254.175,1041 79.516,1042 5.916,1043 6.75,1044 8.478,1045 5.889,1046 5.899,1047 7.76,1048 4.631,1049 26.354,1050 5.607,1051 27.413,1052 1.543,1053 1.573,1054 1.601,1055 1.527,1056 1.523,1057 2.011,1058 0.303,1059 4.707,1060 1.473,1061 4.134,1062 4.134,1063 4.739,1064 4.109,1065 8.513,1066 4.056,1067 4.027,1068 4.04,1069 4.007,1070 3.965,1071 7.999,1072 3.953,1073 3.948,1074 3.968,1075 3.908,1076 3.872,1077 7.999,1078 3.873,1079 3.86,1080 3.876,1081 3.872,1082 3.815,1083 7.718,1084 3.789,1085 3.829,1086 3.848,1087 3.774,1088 3.782,1089 7.429,1090 3.763,1091 3.654,1092 3.676,1093 3.627,1094 3.547,1095 7.425,1096 3.513,1097 3.536,1098 3.536,1099 3.559,1100 3.339,1101 6.999,1102 3.348,1103 3.399,1104 3.45,1105 3.325,1106 3.237,1107 4.831,1108 3.233,1109 0.092,1110 0.088,1111 0.161,1112 0.089,1113 0.072,1114 4.986,1115 0.088,1116 4.75,1117 0.056,1118 8.677,1119 0.322,1120 4.82,1121 0.067,1122 3.899,1123 4.76,1124 3.02,1125 17.385,1126 3.607,1127 2.037,1128 2.032,1129 2.117,1130 2.111,1131 1.336,1132 2.122,1133 1.996,1134 1.975,1135 2.074,1136 2.071,1137 1.264,1138 2.088,1139 1.922,1140 1.901,1141 2.028,1142 2.019,1143 1.147,1144 2.019,1145 1.85,1146 1.827,1147 1.962,1148 1.924,1149 1.094,1150 1.942,1151 1.81,1152 1.797,1153 1.9,1154 1.889,1155 1.054,1156 1.915,1157 1.541,1158 1.539,1159 1.643,1160 1.752,1161 0.833,1162 1.737,1163 1.382,1164 1.367,1165 1.634,1166 1.587,1167 0.717,1168 1.598,1169 1.354,1170 1.32,1171 1.496,1172 1.563,1173 0.667,1174 1.586,1175 4.691,1177 6.061,1179 7.642,1181 9.317,1183 11.043,1185 0.695,1187 43.369,1190 1.729,1191 1.623,1192 4.757,1195 1.728,1196 -8.88,1199 54.383,1200 134.388,1201 269.238,1202 337.967,1203 416.205,1204 464.244,1205 472.244,1206 148.283,1207 9.487,1208 92.78,1209 101.16,1210 38,1211 13.394,1212 5.129,1213 4.322,1214 78.021,1215 287,1216 241,1217 0.131,1218 329.449,1219 595.09,1220 795.615,1221 248465,1222 3.8,1223 34.813,1224 0.71,1225 0.553,1226 32.563,1227 27.093,1228 23.458,1229 0.434,1230 0.312,1231 15.283,1232 21.9,1233 14.85,1234 12.244,1235 23.03,1236 16.851,1237 22.161,1238 0.277,1239 0.165,1240 21.658,1241 13.205,1242 18.697,1243 0.168,1244 0.09,1245 19.025,1246 10.043,1247 16.563,1248 0.113,1249 0.051,1250 16.109,1251 7.428,1252 12.503,1253 0.071,1254 0.029,1255 13.264,1256 5.202,1257 0.209,1258 155.346,1259 0.168,1260 41.892,1261 0.353,1262 268,1263 975.849,1264 338.645,1265 882.715,1266 1169.49,1267 814,1268 325,1269 803.443,1270 404.221,1271 835.492,1272 1255.1,1273 783,1274 5.42}
{0 CHEMBL416784,1 1.308,2 15.033,3 3.816,4 14.561,5 115.747,6 6.215,7 0.194,8 4.267,9 4.387,10 3.628,11 3.733,12 5.281,13 3.682,14 4.86,15 5.042,16 3.943,17 4.154,18 5.844,19 4.055,20 5.23,21 5.476,22 3.976,23 4.322,24 6.102,25 4.178,26 5.303,27 5.57,28 3.889,29 4.329,30 6.182,31 4.152,32 5.303,33 5.592,34 3.844,35 4.285,36 6.103,37 4.1,38 5.238,39 5.51,40 3.877,41 4.219,42 6.157,43 4.062,44 5.197,45 5.459,46 3.782,47 4.182,48 6.136,49 4.018,50 5.172,51 5.457,52 3.722,53 4.137,54 6.014,55 3.96,56 0.088,57 0.861,58 16.862,59 7.3,60 21.249,61 9.677,62 0.285,63 1.407,64 30.315,65 12.073,66 57.12,67 16.654,68 0.481,69 1.785,70 43.587,71 15.376,72 85.804,73 22.033,74 0.645,75 1.85,76 46.632,77 16.067,78 109.036,79 23.416,80 0.53,81 1.799,82 46.143,83 15.674,84 94.055,85 23.136,86 0.642,87 1.67,88 43.934,89 14.402,90 109.79,91 21.089,92 0.693,93 1.605,94 42.452,95 13.808,96 113.796,97 20.11,98 0.639,99 1.548,100 40.853,101 13.438,102 94.802,103 19.806,104 47,105 40,106 0.211,107 0.477,108 0.682,109 0.834,110 0.877,111 0.887,112 3.439,113 1.093,114 -3.71,115 -3.68,116 -3.5,118 35.3,120 11,121 2,123 1,125 3,133 4,134 1,135 1,145 1,150 1,153 1,154 15,155 1,158 3,160 1,162 7,164 18,165 1,167 3,170 7,171 17,172 1,175 2,178 1,179 7,180 13,181 1,184 2,189 7,192 11,193 1,196 2,199 1,200 8,202 13,203 1,206 1,209 1,210 6,211 12,212 1,215 2,217 1,219 6,222 11,223 1,226 2,230 6,231 1,233 10,234 2,236 1876,237 19.905,238 19.905,239 19.905,240 19.905,241 19.905,242 18.974,243 17.563,244 12.117,245 20.196,246 15.215,247 15.215,248 15.215,249 15.215,250 15.215,251 13.784,252 13.973,253 5.712,254 15.627,255 4.779,256 3.136,257 1.865,258 0.927,259 0.658,260 0.599,261 4.105,265 1,266 1,267 914,268 4.472,270 104.964,271 118.711,277 2.504,278 42.131,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 66,289 451,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.635,296 2.341,297 10.723,298 3.088,299 4.037,300 3.258,301 5.488,302 3.641,303 2.661,304 3.148,305 0.86,306 7.358,307 2.61,308 3.55,309 2.906,310 5.354,311 3.331,312 2.376,313 2.774,315 6.422,316 2.261,317 3.515,318 2.666,319 5.147,320 3.241,321 2.236,322 2.71,324 6.22,325 2.223,326 3.302,327 2.458,328 4.961,329 3.094,330 2.136,331 2.33,333 5.825,334 2.035,335 3.038,336 2.309,337 4.662,338 2.985,339 2.027,340 2.038,342 5.184,343 1.936,344 2.79,345 1.911,346 4.657,347 2.752,348 1.772,349 1.789,351 4.749,352 1.727,353 2.608,354 1.731,355 3.796,356 2.567,357 1.586,358 1.605,360 3.446,361 1.548,362 2.5,363 1.329,364 3.491,365 2.115,366 1.131,367 1.5,369 2.482,370 1.106,371 2.172,372 1.21,373 3.414,374 2,375 1,376 1.155,378 2.275,379 1,380 1.949,381 1,382 3.239,383 1.86,384 0.876,385 0.917,387 1.942,388 0.858,389 1.728,390 0.973,391 2.994,392 1.588,393 0.65,394 0.684,395 1.35,396 0.601,397 1.501,398 0.718,399 2.704,400 1.334,401 0.407,402 0.435,403 0.72,404 0.373,405 1.273,406 0.595,407 2.554,408 1.18,409 0.212,410 0.219,411 0.431,412 0.204,413 0.851,414 0.308,415 2.35,416 0.744,417 -0.228,418 -0.232,419 -0.52,420 -0.218,421 14,422 0.467,423 0.685,424 0.023,425 25.25,426 0.842,427 8,428 0.267,429 17.25,430 0.575,431 36.947,432 1.232,433 37,434 0.544,435 17.258,436 0.575,437 4.199,438 0.14,439 10.202,440 0.34,441 0.155,443 0.286,447 0.92,448 1.283,449 1.032,450 1.269,451 0.9,452 1.184,453 0.745,454 1.314,455 1.057,456 1.314,457 0.616,458 1.253,459 0.947,460 1.101,461 1.048,462 1.104,463 0.954,464 1.096,465 0.841,466 1.057,467 1.036,468 1.068,469 0.849,470 1.086,471 0.777,472 0.963,473 0.901,474 0.966,475 0.833,476 0.958,477 0.929,478 0.965,479 0.94,480 0.964,481 0.937,482 0.955,483 1.078,484 1.001,485 1.088,486 1.009,487 1.092,488 1.045,489 0.876,490 0.891,491 0.927,492 0.898,493 0.924,494 0.919,495 6,496 0.204,497 3.111,498 1.889,499 1.192,500 0.899,501 0.533,502 0.34,503 0.311,504 0.285,505 12708,506 33382,507 1.94,508 55.9,509 14,510 10,513 4,514 2,515 6,516 2,517 1.725,518 1.8,519 3.812,520 1.564,525 88.977,526 1.308,527 2.951,528 4.222,529 5.161,530 5.429,531 5.488,532 3.331,533 4.64,534 4.87,535 4.032,536 1753.88,537 8.481,538 26910.2,542 413.947,543 1.457,544 4.825,545 0.194,546 0.007,547 0.078,548 0.048,549 0.035,550 0.027,551 0.016,552 0.011,553 0.011,554 0.009,555 0.435,556 0.17,557 0.88,558 1.87,559 159.878,560 -0.09,561 0.075,562 -0.011,563 0.073,564 -0.092,565 0.049,566 0.029,567 -0.104,568 -0.075,569 -0.109,570 0.081,571 -0.111,572 -0.078,573 -0.059,574 -0.077,575 -0.06,576 -0.078,577 -0.067,578 -0.018,579 -0.06,580 -0.083,581 -0.066,582 -0.015,583 -0.084,584 -0.019,585 -0.008,586 0.033,587 -0.001,588 -0.033,589 0.023,591 -0.004,592 0.03,593 0.001,594 0.005,595 0.019,596 -0.064,597 -0.029,598 -0.1,599 -0.037,600 -0.057,601 -0.071,602 -0.001,603 0.05,604 0.028,605 0.051,606 -0.043,607 0.046,608 2.421,609 4.411,610 0.367,611 40.604,612 0.996,613 1.134,614 2.481,615 6.154,616 0.606,617 3.466,618 3.714,619 3.871,620 4.025,621 4.127,622 4.078,623 4.043,624 4.06,625 4.111,626 4.094,627 8.572,628 0.563,629 422.62,630 3.466,631 4.963,632 5.759,633 6.592,634 7.412,635 8.252,636 9.085,637 9.932,638 10.774,639 11.626,651 4,656 2,658 6,668 1,670 68,671 7,672 1,673 31,675 69,676 24,677 6,678 2,679 4,681 2,682 2,688 3,689 2,691 14,693 7,694 17,695 2,696 1,698 1,701 1,707 38,708 6,709 4,710 6,717 1,718 6,719 3,730 1,731 1,739 1,746 4,748 2,752 1,756 30,759 4,760 11,762 1,764 5,773 8.8,774 3,775 1,776 1,778 1,779 16.667,780 11.383,781 6.917,782 4.389,785 0.985,786 1.142,787 0.828,788 10.973,789 7.926,790 3.584,791 3.961,792 4.252,793 4.573,794 4.924,795 4.811,796 4.745,797 4.718,798 4.832,799 4.773,800 1,801 39,802 11.263,803 4.74,804 7.922,805 21.716,806 18.077,807 2.422,808 72.667,812 400.217,813 86.007,816 206.878,819 86.007,820 607.096,822 10.883,823 27.88,824 165.955,825 68.738,826 19.429,828 400.217,830 400.217,831 86.007,832 206.878,835 306.049,836 172.997,837 128.05,839 27.88,840 58.127,843 400.217,844 206.878,845 86.007,848 400.217,849 37.219,850 48.788,852 206.878,853 400.217,854 206.878,855 86.007,857 0.563,858 0.309,859 0.153,860 0.082,861 14,862 8,863 0.203,864 14,866 1,867 4.267,868 229.47,870 11,871 143.207,874 24.966,875 13.186,876 8.773,878 206.878,879 7.86,884 1.98,886 170.733,887 693.102,888 35,890 10.557,893 -0.755,895 67.752,896 77.145,897 0.215,898 0.485,899 0.694,900 0.848,901 0.892,902 0.902,903 4.808,904 1.586,905 5.714,906 4.749,907 4.394,908 4.644,909 2.402,910 6.435,911 4.344,912 5.917,913 1.131,914 7.223,915 3.446,916 3.892,917 4.248,918 2.243,919 7.222,920 3.783,921 7.156,922 1,923 8.834,924 2.482,925 5.9,926 6.479,927 3.657,928 10.27,929 5.81,930 8.421,931 0.876,932 10.506,933 2.275,934 6.217,935 6.851,936 4.112,937 11.972,938 6.072,939 9.719,940 0.65,941 12.222,942 1.942,943 7.69,944 8.624,945 5.206,946 14.56,947 7.562,948 11.037,949 0.407,950 13.97,951 1.35,952 8.414,953 9.344,954 5.889,955 16.667,956 8.242,957 12.372,958 0.212,959 15.745,960 0.72,961 9.671,962 10.933,963 6.849,964 19.108,965 9.505,966 3.148,967 -0.228,968 17.541,969 0.431,970 10.604,971 11.84,972 7.625,973 21.38,974 10.406,975 2.661,976 10.723,977 19.355,978 -0.52,979 11.776,980 13.335,981 8.526,982 23.775,983 11.574,984 2.376,985 7.358,986 21.185,987 3.635,988 12.815,989 14.358,990 9.342,991 26.11,992 12.587,993 2.236,994 6.422,995 23.027,996 3.148,997 13.956,998 15.793,999 10.216,1000 28.489,1001 13.719,1002 2.136,1003 6.22,1004 24.88,1005 2.774,1006 15.047,1007 16.894,1008 11.051,1009 30.847,1010 14.787,1011 2.027,1012 5.825,1013 26.742,1014 2.71,1015 16.181,1016 18.287,1017 11.912,1018 33.222,1019 15.907,1020 1.772,1021 5.184,1022 28.612,1023 2.33,1024 17.297,1025 19.444,1026 12.755,1027 35.588,1028 17.003,1029 12876,1030 20924,1031 19.879,1032 41.194,1033 44.607,1034 45.301,1035 46.082,1036 44.537,1037 44.436,1038 49.876,1039 6.402,1040 118.251,1041 43.143,1042 5.127,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.635,1048 3.925,1049 17.488,1050 5.088,1051 18.478,1052 1.439,1053 1.461,1054 1.487,1055 1.437,1056 1.433,1057 1.609,1058 0.207,1059 3.815,1060 1.392,1061 3.992,1062 4.03,1063 3.894,1064 3.897,1065 7.474,1066 3.891,1067 3.916,1068 3.945,1069 3.834,1070 3.834,1071 6.465,1072 3.829,1073 3.748,1074 3.801,1075 3.61,1076 3.612,1077 6.448,1078 3.599,1079 3.647,1080 3.692,1081 3.514,1082 3.499,1083 6.433,1084 3.494,1085 3.502,1086 3.548,1087 3.366,1088 3.319,1089 6.351,1090 3.318,1091 3.33,1092 3.389,1093 3.168,1094 3.147,1095 4.865,1096 3.138,1097 3.195,1098 3.258,1099 3.027,1100 2.963,1101 4.38,1102 2.969,1103 3.178,1104 3.242,1105 2.97,1106 2.927,1107 4.206,1108 2.926,1109 0.134,1110 0.116,1111 0.216,1112 0.133,1113 0.102,1114 4.148,1115 0.117,1116 3.596,1117 0.076,1118 6.682,1119 0.346,1120 4.13,1121 0.1,1122 3.148,1123 3.635,1124 2.341,1125 10.723,1126 3.088,1127 1.924,1128 1.898,1129 2.071,1130 2.026,1131 1.47,1132 2.04,1133 1.834,1134 1.786,1135 2.042,1136 1.974,1137 1.359,1138 1.999,1139 1.735,1140 1.684,1141 1.953,1142 1.899,1143 1.261,1144 1.918,1145 1.616,1146 1.569,1147 1.846,1148 1.806,1149 1.178,1150 1.818,1151 1.535,1152 1.489,1153 1.766,1154 1.738,1155 1.046,1156 1.746,1157 1.401,1158 1.35,1159 1.668,1160 1.626,1161 0.956,1162 1.636,1163 1.241,1164 1.183,1165 1.571,1166 1.522,1167 0.782,1168 1.536,1169 1.134,1170 1.052,1171 1.488,1172 1.398,1173 0.588,1174 1.429,1175 4.143,1177 5.407,1178 2.398,1179 6.838,1180 4.844,1181 8.35,1182 6.986,1183 9.911,1185 1.639,1189 39.832,1190 7.726,1192 5.159,1194 -1.331,1199 38.298,1200 88.977,1201 200.702,1202 287.114,1203 350.928,1204 369.193,1205 373.193,1206 119.298,1207 6.94,1208 107.22,1209 107.22,1210 11,1211 12.185,1212 3,1213 2.322,1214 69.574,1215 149,1216 162,1217 0.216,1218 238.468,1219 430.32,1220 573.621,1221 10271,1223 21.933,1224 0.731,1225 0.603,1226 21.933,1227 18.08,1228 14.401,1229 0.465,1230 0.364,1231 11.169,1232 13.889,1233 10.945,1234 9.055,1235 14.401,1236 11.293,1237 12.458,1238 0.311,1239 0.217,1240 12.458,1241 8.663,1242 9.428,1243 0.201,1244 0.137,1245 9.428,1246 6.458,1247 7.133,1248 0.13,1249 0.084,1250 7.133,1251 4.645,1252 5.279,1253 0.087,1254 0.052,1255 5.279,1256 3.163,1257 0.355,1258 90.409,1259 0.224,1260 29.425,1261 0.553,1262 142,1263 402.07,1264 155.618,1265 373.773,1266 476.54,1267 346,1268 158,1269 310.03,1270 168.963,1271 311.221,1272 443.86,1273 292,1274 6.538}
{0 CHEMBL423815,1 1.236,2 9.364,3 4.785,4 22.898,5 89.322,6 7.588,7 0.708,8 3.714,9 3.807,10 3.297,11 3.394,12 4.895,13 3.352,14 4.167,15 4.287,16 3.612,17 3.763,18 5.421,19 3.693,20 4.431,21 4.609,22 3.602,23 3.891,24 5.455,25 3.781,26 4.474,27 4.691,28 3.464,29 3.836,30 5.401,31 3.695,32 4.416,33 4.645,34 3.458,35 3.751,36 5.384,37 3.625,38 4.353,39 4.559,40 3.445,41 3.662,42 5.46,43 3.561,44 4.304,45 4.513,46 3.29,47 3.545,48 5.448,49 3.442,50 4.09,51 4.312,52 3.128,53 3.37,54 5.195,55 3.26,56 0.029,57 0.408,58 6.906,59 3.508,60 7.555,61 4.375,62 0.132,63 0.66,64 11.488,65 5.712,66 30.222,67 7.41,68 0.094,69 0.897,70 16.669,71 7.807,72 25.062,73 10.248,74 0.097,75 0.962,76 18.514,77 8.447,78 24.638,79 11.423,80 0.077,81 0.914,82 17.878,83 8.039,84 21.117,85 10.981,86 0.102,87 0.839,88 16.649,89 7.275,90 28.805,91 9.475,92 0.194,93 0.795,94 16.654,95 6.784,96 44.812,97 8.364,98 0.09,99 0.65,100 13.14,101 5.644,102 23.903,103 7.413,104 8,105 32,106 0.219,107 0.49,108 0.654,109 0.831,110 0.89,111 0.909,112 3.146,113 0.899,114 -5.69,115 -5.56,116 -5.19,118 52.6,120 1,129 2,133 11,134 5,145 1,150 1,153 1,154 21,155 1,158 1,160 1,162 1,164 28,165 1,167 1,170 1,171 28,172 1,175 1,179 1,180 22,181 2,184 2,189 2,192 19,193 3,196 3,200 3,202 17,203 2,206 2,210 2,211 15,212 2,215 2,219 2,222 12,223 2,226 2,230 2,233 7,234 2,236 636,237 14.999,238 14.999,239 14.999,240 14.999,241 14.999,242 12.669,243 9.554,244 9.138,245 15.005,246 11.892,247 11.892,248 11.892,249 11.892,250 11.892,251 8.425,252 11.945,253 4.39,254 11.897,255 4.012,256 2.478,257 1.548,258 0.546,259 0.211,260 0.105,261 3.833,265 1,266 1,267 440,268 2.915,271 177.337,275 90.583,277 1.397,278 14.489,279 1,280 0.75,281 1,282 1,283 0.6,285 1,286 1,287 0.76,288 46,289 206,290 4.415,291 3.474,292 6.211,293 3.96,294 2.96,295 4.338,296 1.437,297 9.336,298 2.96,299 4.228,300 3.116,301 6.136,302 3.826,303 2.826,304 3.855,305 0.68,306 9.043,307 2.826,308 3.663,309 2.867,310 5.248,311 3.267,312 2.265,313 3.039,315 6.632,316 2.261,317 3.571,318 2.385,319 4.673,320 3.156,321 2.152,322 2.862,324 5.185,325 2.142,326 3.118,327 1.653,328 4.422,329 2.618,330 1.618,331 2.427,333 4.384,334 1.618,335 2.961,336 1.618,337 4.279,338 2.522,339 1.522,340 2.121,342 4.014,343 1.52,344 2.925,345 1.487,346 3.632,347 2.451,348 1.451,349 2.112,351 3.061,352 1.451,353 2.828,354 1.389,355 3.606,356 2.359,357 1.359,358 1.968,360 2.967,361 1.359,362 2.316,363 0.88,364 3.184,365 1.707,366 0.707,367 1.044,369 1.631,370 0.707,371 2.187,372 0.733,373 2.985,374 1.605,375 0.602,376 0.947,378 1.324,379 0.599,380 1.439,381 0.451,382 2.845,383 1.095,384 0.093,385 0.121,387 0.236,388 0.093,389 1.013,390 0.274,391 2.291,392 0.595,393 -0.408,394 -0.541,395 -0.971,396 -0.407,397 0.882,398 -0.267,399 2,400 0.382,401 -0.618,402 -0.927,403 -1.594,404 -0.618,405 0.691,406 -0.618,407 2,408 0.273,409 -0.733,410 -0.959,411 -1.804,412 -0.728,413 0.486,414 -0.65,415 2,417 -1,418 -1.369,419 -2,420 -0.964,421 10.667,422 0.485,423 0.452,424 0.021,425 31.5,426 1.432,427 19,428 0.864,429 12.5,430 0.568,431 13.411,432 0.61,433 21.733,434 0.572,435 21.457,436 0.975,437 6.563,438 0.298,439 4.157,440 0.189,441 0.063,443 0.281,447 0.718,448 0.83,449 0.782,450 0.828,451 0.724,452 0.815,453 0.346,454 1.006,455 0.893,456 1.017,457 0.349,458 1.017,459 0.658,460 1.033,461 1.05,462 1.049,463 0.672,464 1.087,465 0.517,466 1.062,467 1.035,468 1.08,469 0.545,470 1.11,471 0.458,472 0.988,473 0.85,474 0.991,475 0.469,476 0.969,477 0.945,478 1.052,479 0.949,480 1.043,481 0.952,482 1.004,483 1.635,484 0.91,485 1.136,486 0.91,487 1.631,488 0.957,489 0.942,490 0.977,491 0.921,492 0.971,493 0.907,494 0.948,495 4,496 0.078,497 2,498 0.813,499 1.058,500 0.465,501 0.364,502 0.299,503 0.115,504 0.104,505 5048,506 13948,507 2.097,508 42.1,509 2,510 13,513 1,517 1.645,518 2,519 3.234,520 -0.444,525 46.983,526 1.236,527 2.77,528 3.7,529 4.702,530 5.037,531 5.143,532 2.681,533 4.005,534 4.431,535 3.362,536 776.603,537 7.612,538 8617.13,540 1,542 199.421,543 1.241,544 4.407,545 0.167,546 0.01,547 0.063,548 0.026,549 0.041,550 0.018,551 0.015,552 0.014,553 0.006,554 0.008,555 0.367,556 0.67,557 0.88,558 1.125,559 101.509,560 -0.059,561 0.098,562 0.01,563 0.093,564 -0.097,565 0.065,566 0.244,567 -0.072,568 -0.071,569 -0.084,570 0.248,571 -0.109,572 -0.067,573 -0.078,574 -0.157,575 -0.088,576 -0.053,577 -0.126,578 -0.01,579 -0.094,580 -0.098,581 -0.098,582 -0.027,583 -0.107,584 0.081,585 -0.012,586 0.113,588 0.08,589 0.051,590 0.013,591 -0.078,592 0.034,593 -0.067,594 0.006,595 -0.023,596 -0.196,597 0.079,598 -0.097,599 0.068,600 -0.203,601 0.008,602 0.007,603 0.006,604 0.083,605 0.015,606 0.044,607 0.051,608 2.597,609 3.702,610 0.727,611 17.273,612 0.993,613 1.098,614 4.465,615 19.935,616 0.711,617 3.219,618 3.497,619 3.714,620 3.951,621 4.205,622 4.174,623 4.263,624 4.394,625 4.454,626 4.357,627 5.631,628 0.675,629 288.36,630 3.219,631 4.727,632 5.549,633 6.402,634 7.245,635 8.103,636 8.955,637 9.815,638 10.671,639 11.533,650 2,651 11,656 3,658 17,670 38,671 19,672 3,673 24,675 40,676 20,677 16,678 5,679 11,680 3,681 3,682 4,691 1,693 19,694 1,696 2,698 1,699 2,701 1,707 16,708 2,709 1,710 2,717 0.667,718 2,731 3,735 1,739 1,741 2,746 1,748 2,756 22,759 1,760 1,773 5.3,775 1,776 1,779 11,780 6.7,781 4.889,782 2.189,785 3.977,786 1.576,787 0.985,788 4.13,789 10.879,790 3.57,791 4.174,792 4.762,793 5.347,794 5.952,795 6.167,796 6.563,797 7.009,798 7.409,799 7.493,800 1,801 31,802 8.083,803 3.377,804 7.795,805 15.443,806 12.551,807 2.295,808 50.5,812 176.567,813 141.338,816 67.828,819 141.338,820 244.395,823 2.535,824 123.191,825 68.738,826 14.703,828 176.567,830 176.567,831 141.338,832 67.828,835 176.567,836 67.828,839 2.535,840 119.851,841 18.952,843 176.567,844 67.828,845 141.338,848 176.567,849 18.147,850 123.191,852 67.828,853 176.567,854 67.828,855 141.338,857 0.568,858 0.313,859 0.17,860 0.1,861 15,862 6,863 0.1,864 4,865 1,866 1.125,867 3.505,868 166.67,869 0.125,870 16,871 96.107,874 14.245,875 6.379,876 3.506,877 2.448,878 67.828,879 22.598,884 3.281,886 42.683,887 385.733,888 34.5,890 10.702,891 2.831,893 -0.93,895 37.723,896 41.74,897 0.236,898 0.528,899 0.705,900 0.896,901 0.96,902 0.98,903 4.756,904 1.359,905 5.501,906 3.061,907 4.174,908 4.86,909 1.801,910 6.244,911 4.173,912 5.962,913 0.707,914 7.011,915 2.967,916 3.611,917 4.543,919 7.002,920 3.604,921 7.251,922 0.602,923 8.621,924 1.631,925 5.694,926 7.083,927 2.297,928 10.072,929 5.692,930 8.577,931 0.093,932 10.291,933 1.324,934 5.943,935 7.611,937 11.678,938 5.938,939 9.934,940 -0.408,941 12.001,942 0.236,943 7.482,944 9.589,945 2.933,946 14.232,947 7.48,948 11.312,949 -0.618,950 13.738,951 -0.971,952 8.137,953 10.554,955 16.188,956 8.133,957 12.71,958 -0.733,959 15.496,960 -1.594,961 9.424,962 12.264,963 3.621,964 18.548,965 9.422,966 2.96,967 -1,968 17.268,969 -1.804,970 10.287,971 13.464,973 20.653,974 10.285,975 2.826,976 9.336,977 19.051,978 -2,979 11.456,980 15.04,981 4.33,982 22.933,983 11.454,984 2.265,985 9.043,986 20.842,987 4.338,988 12.424,989 16.363,991 25.102,992 12.422,993 2.152,994 6.632,995 22.639,996 3.855,997 13.537,998 17.874,999 5.048,1000 27.349,1001 13.536,1002 1.618,1003 5.185,1004 24.441,1005 3.039,1006 14.557,1007 19.262,1009 29.547,1010 14.556,1011 1.522,1012 4.384,1013 26.247,1014 2.862,1015 15.646,1016 20.743,1017 5.769,1018 31.78,1019 15.645,1020 1.451,1021 4.014,1022 28.056,1023 2.427,1024 16.692,1025 22.164,1027 33.991,1028 16.691,1029 4920,1030 8260,1031 16.296,1032 27,1033 35.675,1034 36.037,1035 35.773,1036 35.133,1037 35.108,1038 49.67,1039 4.233,1040 95.624,1041 35.073,1042 5.182,1043 5.474,1044 5.898,1045 4.96,1046 4.96,1047 7.338,1048 2.873,1049 15.694,1050 4.96,1051 8.579,1052 1.486,1053 1.502,1054 1.491,1055 1.464,1056 1.463,1057 2.07,1058 0.176,1059 3.984,1060 1.461,1061 4.099,1062 4.121,1063 4.049,1064 4.063,1065 7.476,1066 4.057,1067 3.927,1068 3.951,1069 3.869,1070 3.882,1071 6.351,1072 3.876,1073 3.555,1074 3.572,1075 3.49,1076 3.442,1077 4.907,1078 3.436,1079 3.489,1080 3.523,1081 3.395,1082 3.37,1083 4.741,1084 3.379,1085 3.111,1086 3.167,1087 2.982,1088 3.018,1089 4.316,1090 3.003,1091 2.99,1092 3.037,1093 2.887,1094 2.883,1095 4.131,1096 2.868,1097 2.958,1098 2.988,1099 2.83,1100 2.749,1101 3.873,1102 2.773,1103 2.683,1104 2.748,1105 2.534,1106 2.552,1107 3.701,1108 2.544,1109 0.184,1110 0.145,1111 0.259,1112 0.165,1113 0.123,1114 4.415,1115 0.181,1116 3.474,1117 0.06,1118 6.211,1119 0.389,1120 3.96,1121 0.123,1122 2.96,1123 4.338,1124 1.437,1125 9.336,1126 2.96,1127 2.087,1128 2.068,1129 2.174,1130 2.138,1131 1.335,1132 2.152,1133 1.931,1134 1.909,1135 2.038,1136 1.998,1137 1.167,1138 2.012,1139 1.528,1140 1.495,1141 1.7,1142 1.678,1143 0.818,1144 1.668,1145 1.463,1146 1.438,1147 1.621,1148 1.614,1149 0.611,1150 1.626,1151 1.135,1152 1.084,1153 1.381,1154 1.281,1155 0.503,1156 1.318,1157 1.002,1158 0.951,1159 1.247,1160 1.161,1161 0.334,1162 1.185,1163 0.874,1164 0.848,1165 1.108,1166 1.14,1167 0.142,1168 1.126,1169 0.677,1170 0.629,1171 0.942,1172 0.91,1173 0.017,1174 0.943,1175 3.892,1177 5.176,1179 6.661,1181 8.239,1183 9.865,1189 8.787,1190 0.783,1199 25.644,1200 46.983,1201 105.262,1202 140.613,1203 178.666,1204 191.421,1205 195.421,1206 29.749,1207 6.902,1208 37.3,1209 37.3,1210 18,1211 12.084,1212 4.322,1213 3.524,1214 34.455,1215 74,1216 68,1217 0.229,1218 159.156,1219 275.96,1220 380.1,1221 8962,1223 15.364,1224 0.698,1225 0.549,1226 15.364,1227 12.068,1228 10.72,1229 0.447,1230 0.3,1231 7.159,1232 10.572,1233 6.974,1234 5.814,1235 10.72,1236 7.188,1237 9.495,1238 0.297,1239 0.163,1240 9.495,1241 5.229,1242 7.466,1243 0.187,1244 0.092,1245 7.466,1246 3.669,1247 6.135,1248 0.12,1249 0.051,1250 6.135,1251 2.588,1252 5.285,1253 0.08,1254 0.028,1255 5.285,1256 1.858,1257 0.357,1258 65.477,1259 0.248,1260 21.764,1261 0.634,1262 112,1263 297.885,1264 116.428,1265 298.772,1266 404.97,1267 278,1268 128,1269 290.667,1270 130.658,1271 301.555,1272 432.57,1273 284,1274 4.161}
{0 CHEMBL425681,1 1.332,2 13.571,3 3.104,4 9.632,5 105.867,6 6.364,7 0.207,8 4.183,9 4.298,10 3.564,11 3.645,12 5.217,13 3.602,14 4.769,15 4.941,16 3.88,17 4.058,18 5.792,19 3.968,20 5.157,21 5.401,22 3.898,23 4.199,24 6.074,25 4.063,26 5.188,27 5.454,28 3.801,29 4.176,30 6.086,31 4.015,32 5.167,33 5.44,34 3.778,35 4.15,36 6.018,37 3.991,38 5.146,39 5.409,40 3.829,41 4.125,42 6.107,43 3.982,44 5.138,45 5.4,46 3.742,47 4.066,48 6.137,49 3.916,50 5.042,51 5.321,52 3.613,53 3.979,54 5.926,55 3.821,56 0.077,57 0.784,58 15.22,59 6.618,60 22.092,61 8.667,62 0.238,63 1.279,64 27.506,65 10.921,66 59.357,67 14.951,68 0.606,69 1.6,70 41.119,71 13.714,72 101.41,73 19.702,74 0.661,75 1.599,76 42.257,77 13.798,78 111.291,79 20.14,80 0.548,81 1.56,82 41.17,83 13.471,84 98.386,85 19.72,86 0.601,87 1.522,88 40.627,89 13.069,90 113.927,91 19.072,92 0.815,93 1.454,94 40.817,95 12.443,96 130.507,97 18.218,98 0.702,99 1.322,100 36.777,101 11.383,102 100.229,103 16.733,104 33,105 37,106 0.22,107 0.495,108 0.68,109 0.825,110 0.881,111 0.891,112 3.373,113 1.077,114 -3.28,115 -3.27,116 -3.14,118 35.5,120 9,121 2,124 1,125 3,133 5,135 1,145 1,150 1,153 1,154 13,155 1,158 3,160 1,162 6,164 14,165 1,167 4,168 1,170 6,171 11,172 1,175 3,178 1,179 6,180 8,181 1,184 2,189 7,192 8,193 1,196 2,199 1,200 7,202 9,203 1,206 3,208 1,209 1,210 5,211 9,212 1,215 2,217 1,219 4,222 8,223 1,226 2,230 5,231 1,233 8,234 2,236 1576,237 18.587,238 18.587,239 18.587,240 18.587,241 18.587,242 17.629,243 13.61,244 11.533,245 18.821,246 14.321,247 14.321,248 14.321,249 14.321,250 14.321,251 12.957,252 11.677,253 5.538,254 14.749,255 4.622,256 2.949,257 1.829,258 0.952,259 0.613,260 0.548,261 4.039,265 1,266 1,267 772,268 4.301,270 96.089,271 110.654,277 2.469,278 42.161,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 62,289 380,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.445,296 2.341,297 10.723,298 3.088,299 3.902,300 3.258,301 5.371,302 3.497,303 2.558,304 3.148,305 0.86,306 7.027,307 2.4,308 3.55,309 2.927,310 5.345,311 3.258,312 2.299,313 2.71,315 6.281,316 2.224,317 3.349,318 2.539,319 4.989,320 3.241,321 2.236,322 2.369,324 5.885,325 2.193,326 3.043,327 2.312,328 4.662,329 2.994,330 2.036,331 2.08,333 5.184,334 1.944,335 2.904,336 1.914,337 4.657,338 2.753,339 1.774,340 2.021,342 4.75,343 1.728,344 2.788,345 1.74,346 3.797,347 2.571,348 1.591,349 1.787,351 3.447,352 1.551,353 2.607,354 1.669,355 3.639,356 2.455,357 1.488,358 1.603,360 3.142,361 1.431,362 2.5,363 1.327,364 3.464,365 2.107,366 1.124,367 1.5,369 2.458,370 1.098,371 2.167,372 1.087,373 3.247,374 2,375 1,376 1.15,378 2.136,379 1,380 1.877,381 1,382 3.181,383 1.784,384 0.815,385 0.848,387 1.841,388 0.783,389 1.589,390 0.916,391 2.888,392 1.426,393 0.503,394 0.534,395 1.135,396 0.457,397 1.282,398 0.61,399 2.595,400 1.184,401 0.22,402 0.227,403 0.481,404 0.212,405 0.84,406 0.308,407 2.353,408 0.738,409 -0.231,410 -0.235,411 -0.533,412 -0.221,413 0.689,414 0.01,415 2.228,416 0.37,417 -0.553,418 -0.558,419 -1.29,420 -0.488,421 13,422 0.464,423 0.617,424 0.022,425 24.25,426 0.866,427 8,428 0.286,429 16.25,430 0.58,431 32.608,432 1.165,433 34.4,434 0.555,435 16.422,436 0.586,437 4.124,438 0.147,439 9.345,440 0.334,441 0.128,443 0.269,447 0.924,448 1.263,449 1.006,450 1.248,451 0.906,452 1.157,453 0.742,454 1.389,455 1.065,456 1.387,457 0.625,458 1.304,459 0.98,460 1.068,461 1.041,462 1.07,463 0.947,464 1.069,465 0.926,466 0.99,467 1.006,468 0.998,469 0.831,470 1.016,471 0.928,472 0.947,473 0.951,474 0.949,475 0.908,476 0.954,477 0.936,478 1.012,479 0.955,480 1.009,481 0.954,482 0.989,483 1.086,484 0.953,485 1.048,486 0.958,487 1.062,488 0.991,489 1.049,490 0.79,491 0.959,492 0.797,493 0.957,494 0.852,495 5,496 0.188,497 2.667,498 1.826,499 0.961,500 0.781,501 0.494,502 0.278,503 0.262,504 0.274,505 10438,506 28408,507 1.956,508 54.8,509 12,510 10,513 4,514 2,515 4,516 2,517 1.708,518 1.826,519 3.679,520 1.627,522 1,525 82.569,526 1.332,527 3.005,528 4.125,529 5.002,530 5.341,531 5.406,532 3.231,533 4.522,534 4.771,535 3.913,536 1478.94,537 8.287,538 21379.3,540 1,542 369.16,543 1.405,544 4.732,545 0.172,546 0.006,547 0.072,548 0.052,549 0.031,550 0.025,551 0.015,552 0.01,553 0.01,554 0.009,555 0.404,556 0.17,557 0.88,558 1.817,559 145.355,560 -0.098,561 0.083,562 -0.014,563 0.081,564 -0.101,565 0.055,566 0.032,567 -0.179,568 -0.1,569 -0.182,570 0.075,571 -0.17,572 -0.038,573 -0.059,574 -0.064,575 -0.061,576 -0.06,577 -0.067,578 -0.028,579 -0.024,580 -0.043,581 -0.026,582 -0.005,583 -0.036,584 -0.063,585 0.01,586 0.005,587 0.015,588 -0.056,589 0.022,590 -0.004,591 -0.048,592 0.016,593 -0.041,594 -0.006,595 -0.013,596 -0.011,597 -0.017,598 -0.051,599 -0.023,600 -0.031,601 -0.043,602 -0.051,603 0.127,604 0.021,605 0.124,606 -0.068,607 0.092,608 2.427,609 4.314,610 0.393,611 35.847,612 1,613 1.134,614 2.055,615 4.222,616 0.608,617 3.401,618 3.638,619 3.784,620 3.951,621 4.025,622 3.932,623 3.932,624 3.951,625 4.007,626 4.025,627 7.987,628 0.568,629 394.56,630 3.401,631 4.89,632 5.68,633 6.509,634 7.323,635 8.161,636 8.99,637 9.836,638 10.675,639 11.527,651 5,656 1,658 6,668 1,670 62,671 7,672 1,673 29,675 63,676 22,677 6,678 1,679 5,681 2,682 2,688 3,689 2,691 12,693 7,694 15,695 2,696 1,698 1,701 1,704 1,707 34,708 6,709 4,710 6,717 1,718 6,719 3,730 1,731 1,739 1,746 4,748 2,756 28,759 4,760 10,762 1,764 5,773 9.7,774 3,775 1,776 1,778 1,779 15.333,780 9.967,781 6.417,782 3.986,785 0.919,786 1.136,787 0.822,788 10.1,789 7.676,790 3.526,791 3.882,792 4.139,793 4.45,794 4.736,795 4.432,796 4.458,797 4.518,798 4.656,799 4.652,800 1,801 35,802 10.518,803 4.46,804 7.982,805 20.125,806 16.741,807 2.482,808 69.5,811 1,812 353.133,813 80.938,816 206.878,819 80.938,820 560.011,823 27.403,824 175.431,825 68.738,826 16.243,828 353.133,830 353.133,831 80.938,832 206.878,835 282.506,836 149.455,837 128.05,839 27.403,840 53.535,843 353.133,844 206.878,845 80.938,848 353.133,849 33.556,850 47.381,852 206.878,853 353.133,854 206.878,855 80.938,857 0.561,858 0.302,859 0.154,860 0.081,861 13,862 7,863 0.206,864 13,866 1,867 4.113,868 208.5,870 11,871 130.606,874 22.985,875 12.303,876 8.316,878 206.878,879 9.351,884 0.721,886 170.733,887 640.949,888 33,890 10.527,893 -0.76,895 61.985,896 70.315,897 0.224,898 0.505,899 0.693,900 0.84,901 0.897,902 0.908,903 4.741,904 1.488,905 5.624,906 3.447,907 4.317,908 4.564,909 2.402,910 6.333,911 4.257,912 5.836,913 1.124,914 7.122,915 3.142,916 3.761,917 4.034,918 2.243,919 7.096,920 3.637,921 7.059,922 1,923 8.726,924 2.458,925 5.802,926 6.337,927 3.657,928 10.177,929 5.688,930 8.308,931 0.815,932 10.397,933 2.136,934 6.089,935 6.555,936 4.112,937 11.898,938 5.918,939 9.59,940 0.503,941 12.116,942 1.841,943 7.589,944 8.412,945 5.206,946 14.503,947 7.428,948 10.896,949 0.22,950 13.871,951 1.135,952 8.306,953 8.974,954 5.889,955 16.629,956 8.103,957 12.22,958 -0.231,959 15.654,960 0.481,961 9.58,962 10.646,963 6.849,964 19.08,965 9.378,966 3.148,967 -0.553,968 17.46,969 -0.533,970 10.517,971 11.39,972 7.625,973 21.362,974 10.288,975 2.558,976 10.723,977 19.284,978 -1.29,979 11.7,980 12.96,981 8.526,982 23.761,983 11.465,984 2.299,985 7.027,986 21.123,987 3.445,988 12.746,989 13.819,990 9.342,991 26.101,992 12.49,993 2.236,994 6.281,995 22.975,996 3.148,997 13.896,998 15.318,999 10.216,1000 28.483,1001 13.631,1002 2.036,1003 5.885,1004 24.836,1005 2.71,1006 14.993,1007 16.259,1008 11.051,1009 30.843,1010 14.711,1011 1.774,1012 5.184,1013 26.705,1014 2.369,1015 16.135,1016 17.704,1017 11.912,1018 33.219,1019 15.839,1020 1.591,1021 4.75,1022 28.581,1023 2.08,1024 17.256,1025 18.706,1026 12.755,1027 35.586,1028 16.944,1029 10540,1030 17444,1031 18.781,1032 37.671,1033 41.824,1034 42.448,1035 42.69,1036 41.695,1037 41.585,1038 46.844,1039 6.402,1040 108.978,1041 40.215,1042 5.127,1043 5.596,1044 6.506,1045 5.171,1046 5.148,1047 6.445,1048 3.925,1049 17.488,1050 5.088,1051 15.881,1052 1.442,1053 1.464,1054 1.472,1055 1.438,1056 1.434,1057 1.615,1058 0.221,1059 3.758,1060 1.387,1061 3.981,1062 4.02,1063 3.875,1064 3.873,1065 7.474,1066 3.867,1067 3.885,1068 3.911,1069 3.809,1070 3.805,1071 6.465,1072 3.801,1073 3.747,1074 3.8,1075 3.61,1076 3.611,1077 6.448,1078 3.598,1079 3.627,1080 3.672,1081 3.492,1082 3.463,1083 6.433,1084 3.461,1085 3.5,1086 3.544,1087 3.364,1088 3.314,1089 6.351,1090 3.314,1091 3.207,1092 3.263,1093 3.042,1094 2.99,1095 4.856,1096 2.991,1097 3.19,1098 3.242,1099 3.017,1100 2.962,1101 4.317,1102 2.968,1103 2.96,1104 2.997,1105 2.81,1106 2.735,1107 4.202,1108 2.718,1109 0.143,1110 0.124,1111 0.23,1112 0.142,1113 0.109,1114 4.148,1115 0.119,1116 3.596,1117 0.081,1118 6.682,1119 0.37,1120 4.13,1121 0.106,1122 3.148,1123 3.445,1124 2.341,1125 10.723,1126 3.088,1127 1.876,1128 1.851,1129 2.055,1130 1.996,1131 1.466,1132 2.013,1133 1.834,1134 1.786,1135 2.004,1136 1.968,1137 1.338,1138 1.985,1139 1.732,1140 1.68,1141 1.958,1142 1.896,1143 1.199,1144 1.918,1145 1.61,1146 1.563,1147 1.843,1148 1.804,1149 1.086,1150 1.815,1151 1.502,1152 1.456,1153 1.742,1154 1.721,1155 1.032,1156 1.726,1157 1.377,1158 1.33,1159 1.634,1160 1.611,1161 0.946,1162 1.614,1163 1.103,1164 1.041,1165 1.425,1166 1.38,1167 0.68,1168 1.391,1169 0.968,1170 0.913,1171 1.289,1172 1.275,1173 0.526,1174 1.275,1175 4.078,1177 5.333,1178 2.398,1179 6.753,1180 4.844,1181 8.255,1182 6.986,1183 9.806,1189 39.48,1190 6.228,1192 5.573,1194 -1.62,1199 35.244,1200 82.569,1201 186.335,1202 255.776,1203 310.141,1204 331.16,1205 335.16,1206 106.546,1207 6.757,1208 107.22,1209 107.22,1210 11,1211 12.087,1212 3,1213 2.322,1214 62.154,1215 128,1216 141,1217 0.223,1218 219.283,1219 395.72,1220 526.811,1221 8023,1223 20.355,1224 0.727,1225 0.587,1226 20.355,1227 16.45,1228 13.469,1229 0.464,1230 0.359,1231 10.293,1232 12.986,1233 10.142,1234 8.363,1235 13.469,1236 10.409,1237 11.667,1238 0.315,1239 0.214,1240 11.667,1241 7.9,1242 8.61,1243 0.2,1244 0.133,1245 8.61,1246 5.718,1247 6.681,1248 0.131,1249 0.082,1250 6.681,1251 4.168,1252 4.898,1253 0.089,1254 0.051,1255 4.898,1256 2.796,1257 0.363,1258 84.61,1259 0.231,1260 27.724,1261 0.577,1262 132,1263 390.07,1264 146.282,1265 360.911,1266 459.15,1267 334,1268 146,1269 298.939,1270 158.07,1271 296.53,1272 425.36,1273 280,1274 7.921}
{0 CHEMBL426387,1 1.763,2 8.731,3 6.074,4 36.89,5 102.846,6 10.398,7 0.552,8 3.859,9 3.944,10 3.707,11 3.525,12 5.012,13 3.493,14 4.407,15 4.533,16 4.18,17 3.976,18 5.628,19 3.919,20 4.708,21 4.879,22 4.313,23 4.123,24 5.773,25 4.029,26 4.748,27 4.938,28 4.459,29 4.139,30 5.797,31 4.039,32 4.753,33 4.935,34 4.289,35 4.135,36 5.841,37 4.026,38 4.789,39 4.983,40 4.351,41 4.141,42 5.9,43 4.023,44 4.697,45 4.873,46 4.199,47 4.041,48 5.905,49 3.903,50 4.565,51 4.779,52 4.194,53 3.727,54 5.894,55 3.623,56 0.087,57 0.584,58 3.716,59 3.712,60 13.748,61 4.22,62 0.248,63 1.018,64 9.434,65 6.805,66 40.153,67 8.052,68 0.456,69 1.349,70 26.524,71 10.202,72 66.77,73 11.441,74 0.479,75 1.384,76 28.325,77 10.716,78 52.704,79 12.097,80 0.519,81 1.383,82 33.689,83 11.373,84 58.541,85 13.091,86 0.543,87 1.402,88 41.872,89 12.608,90 80.143,91 14.072,92 0.527,93 1.321,94 45.753,95 12.021,96 76.817,97 12.3,98 0.516,99 1.085,100 37.479,101 10.427,102 65.062,103 11.292,104 28,105 43,106 0.306,107 0.674,108 0.807,109 0.871,110 0.871,111 0.871,112 3.306,113 0.99,114 -6.08,115 -5.92,116 -5.51,117 1,118 47.6,120 3,121 1,124 1,133 6,134 3,135 3,142 2,145 1,150 1,153 1,154 10,155 1,158 5,160 1,162 1,164 14,165 1,167 9,170 1,171 11,172 1,175 3,176 1,179 1,180 10,181 2,183 1,184 2,187 1,189 2,192 17,193 1,196 2,200 1,202 22,203 2,206 2,210 2,211 12,212 4,215 4,219 4,222 3,223 2,226 2,230 2,233 6,236 1038,237 17.24,238 17.24,239 17.24,240 17.24,241 17.24,242 15.034,243 19.918,244 9.942,245 17.66,246 14.342,247 14.342,248 14.342,249 14.342,250 14.342,251 10.946,252 21.848,253 4.773,254 15.175,255 3.629,256 1.513,257 0.75,258 0.381,259 0.381,260 0.381,261 3.998,262 1,266 1,267 490,268 3.162,270 87.05,271 124.035,273 71.731,274 82.081,276 111.382,277 1.157,278 32.738,280 0.75,281 0.83,282 1,283 0.8,284 0.5,285 1,286 1,287 0.84,288 56.083,289 227,290 4.845,291 3.679,292 7.233,293 4.417,294 3.453,295 4.813,296 2.341,297 12.858,298 3.332,299 4.052,300 3.555,301 6.293,302 3.716,303 2.756,304 3.625,305 0.522,306 9.339,307 2.638,308 4.008,309 3.071,310 5.813,311 3.597,312 2.629,313 3.497,315 7.868,316 2.544,317 3.64,318 2.969,319 5.428,320 3.247,321 2.292,322 3.048,324 7.007,325 2.175,326 3.591,327 2.737,328 5.215,329 3.198,330 2.259,331 2.805,333 6.411,334 2.073,335 3.394,336 2.596,337 4.932,338 2.951,339 2.042,340 2.688,342 5.702,343 1.864,344 3.298,345 2.37,346 4.854,347 2.896,348 1.923,349 2.524,351 5.31,352 1.743,353 2.909,354 2.021,355 4.624,356 2.523,357 1.631,358 2.002,360 4.547,361 1.393,362 2.525,363 1.496,364 4.315,365 2.206,366 1.231,367 1.514,369 3.712,370 1.156,371 2.5,372 1.041,373 3.692,374 2,375 1,376 1.5,378 2.275,379 1,380 1.926,381 1,382 3.414,383 1.796,384 0.826,385 0.886,387 2.149,388 0.783,389 1.458,390 0.749,391 3.12,392 1.106,393 0.203,394 0.243,395 0.515,396 0.162,397 1.15,398 0.667,399 2.751,400 0.786,401 -0.151,402 -0.18,403 -0.406,404 -0.116,405 0.967,406 0.279,407 2.637,408 0.578,409 -0.312,410 -0.364,411 -0.793,412 -0.245,413 0.843,414 0.234,415 2.502,416 0.407,417 -0.471,418 -0.582,419 -1.203,420 -0.311,421 13.4,422 0.515,423 0.822,424 0.032,425 31.75,426 1.221,427 15.5,428 0.596,429 16.25,430 0.625,431 26.318,432 1.012,433 26.8,434 0.638,435 21.278,436 0.818,437 5.86,438 0.225,439 6.576,440 0.253,441 0.224,443 0.403,445 1,447 0.619,448 0.93,449 0.47,450 0.713,451 0.588,452 0.757,453 0.51,454 0.996,455 0.53,456 0.78,457 0.393,458 0.855,459 0.893,460 1.046,461 0.828,462 0.95,463 0.861,464 1.023,465 0.728,466 0.909,467 0.834,468 0.889,469 0.603,470 0.939,471 0.673,472 0.87,473 1.031,474 1.005,475 0.773,476 1.046,477 0.918,478 0.917,479 1.167,480 1.024,481 0.975,482 0.998,483 1.223,484 1.127,485 1.679,486 1.321,487 1.273,488 1.272,489 1.096,490 1.104,491 1.041,492 1.109,493 1.179,494 0.982,495 6,496 0.099,497 2.667,498 2.514,499 1.887,500 1.403,501 0.809,502 0.489,503 0.485,504 0.12,505 6920,506 25521,507 2.078,508 38.1,509 4,510 8,513 1,514 3,517 1.7,518 1.902,519 3.062,520 -0.332,525 74.039,526 1.763,527 3.879,528 4.642,529 5.011,530 5.011,531 5.011,532 2.43,533 4.393,534 4.667,535 3.23,536 1049.68,537 8.142,538 12587.6,542 226.477,543 1.513,544 4.611,545 0.207,546 0.02,547 0.062,548 0.058,549 0.044,550 0.033,551 0.02,552 0.015,553 0.018,554 0.008,555 0.484,556 0.5,557 0.88,558 1,559 123.629,560 -0.048,561 -0.011,562 -0.003,563 0.038,564 -0.038,565 0.043,566 0.085,567 -0.068,568 0.024,569 0.015,570 0.162,571 0.003,572 -0.104,573 -0.088,574 -0.035,575 -0.052,576 -0.107,577 -0.087,578 -0.025,579 0.012,580 0.055,581 0.03,582 0.013,583 0.02,584 0.068,585 0.006,586 -0.054,587 -0.049,588 -0.021,589 -0.068,590 -0.053,591 0.012,592 -0.047,593 0.003,594 -0.09,595 0.026,596 -0.186,597 -0.076,598 -0.221,599 -0.205,600 -0.182,601 -0.259,602 0.046,603 -0.153,604 0.078,605 -0.048,606 0.027,607 0.084,608 2.476,609 6.006,610 0.692,611 21.231,612 1.018,613 1.114,614 4.847,615 23.496,616 0.736,617 3.401,618 3.784,619 4.094,620 4.489,621 4.779,622 4.997,623 5.182,624 5.338,625 5.407,626 5.416,627 5.351,628 0.701,629 436.72,630 3.401,631 4.977,632 5.855,633 6.781,634 7.692,635 8.631,636 9.558,637 10.504,638 11.441,639 12.391,640 2.4,645 1,650 2,651 6,656 6,657 1,658 16,669 3,670 42,671 17,672 2,673 29,674 1,675 45,676 20,677 14,678 6,679 6,681 4,682 7,683 1,688 2,689 1,691 3,693 15,694 5,695 1,696 1,698 1,701 1,705 1,707 16,708 3,709 1,710 6,711 2,714 1,717 0.5,718 2,727 1,730 2,731 2,733 1,734 1,736 1,739 1,746 1,748 2,751 1,753 1,754 1,756 26,759 1,760 4,764 1,772 3,773 4.8,775 1,776 1,779 13.667,780 7.579,781 5.528,782 2.579,785 3.136,786 1.406,787 1.004,788 4.741,789 10.861,790 3.664,791 4.341,792 4.962,793 5.653,794 6.244,795 6.661,796 7.099,797 7.547,798 7.831,799 8.074,800 0.833,801 43,802 9.67,803 4.314,804 7.969,805 18.289,806 15.836,807 2.469,808 64.194,812 176.567,813 96.998,814 47.853,815 39.149,816 67.828,817 14.96,819 142.952,820 283.543,821 16.859,823 9.709,824 56.857,825 68.738,826 26.52,827 19.861,828 176.567,829 85.103,830 176.567,831 98.897,832 82.788,833 39.149,834 45.954,835 191.527,836 67.828,839 11.608,840 87.289,841 39.149,842 45.954,843 191.527,844 69.727,845 182.101,848 176.567,849 40.141,850 58.757,851 45.954,852 121.937,853 176.567,854 84.687,855 182.101,857 0.593,858 0.335,859 0.198,860 0.12,861 23,862 11,863 0.089,864 4,865 2,866 1.222,867 3.624,868 236.924,869 0.222,870 18,871 118.211,874 17.873,875 6.897,876 3.286,877 1.787,878 82.788,879 10.61,884 4.209,885 2.137,886 42.683,887 443.355,888 38,890 11.315,893 -0.809,895 42.774,896 46.779,897 0.327,898 0.719,899 0.861,900 0.929,901 0.929,902 0.929,903 4.934,904 1.631,905 5.878,906 5.31,907 4.466,908 5.027,909 2.313,910 6.763,911 4.362,912 6.18,913 1.231,914 7.477,915 4.547,916 4.205,917 5.037,918 2.243,919 7.801,920 3.995,921 7.521,922 1,923 9.176,924 3.712,925 6.12,926 7.321,927 3.632,928 10.979,929 5.946,930 8.898,931 0.826,932 10.935,933 2.275,934 6.648,935 8.144,936 4.112,937 12.913,938 6.394,939 10.308,940 0.203,941 12.736,942 2.149,943 8.095,944 9.968,945 5.202,946 15.652,947 7.857,948 11.744,949 -0.151,950 14.568,951 0.515,952 9,953 11.189,954 5.889,955 17.969,956 8.704,957 13.202,958 -0.312,959 16.426,960 -0.406,961 10.284,962 12.843,963 6.849,964 20.572,965 9.981,966 3.453,967 -0.471,968 18.305,969 -0.793,970 11.369,971 14.257,972 7.625,973 23.038,974 11.02,975 2.756,976 12.858,977 20.202,978 -1.203,979 12.603,980 15.85,981 8.526,982 25.601,983 12.233,984 2.629,985 9.339,986 22.112,987 4.813,988 13.769,989 17.352,990 9.342,991 28.122,992 13.36,993 2.292,994 7.868,995 24.035,996 3.625,997 14.993,998 18.925,999 10.216,1000 30.676,1001 14.555,1002 2.259,1003 7.007,1004 25.967,1005 3.497,1006 16.197,1007 20.465,1008 11.051,1009 33.217,1010 15.722,1011 2.042,1012 6.411,1013 27.907,1014 3.048,1015 17.422,1016 22.034,1017 11.912,1018 35.769,1019 16.915,1020 1.923,1021 5.702,1022 29.853,1023 2.805,1024 18.643,1025 23.591,1026 12.755,1027 38.317,1028 18.1,1029 6735,1030 13010,1031 19.016,1032 30.915,1033 44.844,1034 46.106,1035 46.694,1036 44.879,1037 44.492,1038 58.289,1039 5.725,1040 135.385,1041 41.722,1042 5.736,1043 5.679,1044 6.647,1045 5.455,1046 5.453,1047 7.813,1048 3.925,1049 20.427,1050 5.332,1051 14.525,1052 1.546,1053 1.59,1054 1.61,1055 1.548,1056 1.534,1057 2.01,1058 0.197,1059 4.668,1060 1.439,1061 4.203,1062 4.231,1063 6.881,1064 4.131,1065 8.201,1066 4.133,1067 3.889,1068 3.912,1069 4.14,1070 3.845,1071 7.474,1072 3.834,1073 3.725,1074 3.756,1075 3.973,1076 3.639,1077 6.351,1078 3.626,1079 3.438,1080 3.456,1081 3.608,1082 3.233,1083 4.953,1084 3.253,1085 3.307,1086 3.367,1087 3.432,1088 3.142,1089 4.837,1090 3.141,1091 2.96,1092 3.001,1093 3.331,1094 2.894,1095 4.325,1096 2.842,1097 2.906,1098 2.931,1099 3.075,1100 2.836,1101 4.216,1102 2.822,1103 2.854,1104 2.925,1105 2.754,1106 2.735,1107 3.79,1108 2.715,1109 0.167,1110 0.127,1111 0.249,1112 0.152,1113 0.119,1114 4.845,1115 0.166,1116 3.679,1117 0.081,1118 7.233,1119 0.443,1120 4.417,1121 0.115,1122 3.453,1123 4.813,1124 2.341,1125 12.858,1126 3.332,1127 1.958,1128 1.937,1129 2.033,1130 2.052,1131 1.311,1132 2.052,1133 1.884,1134 1.865,1135 1.952,1136 1.944,1137 1.18,1138 1.956,1139 1.7,1140 1.664,1141 1.871,1142 1.85,1143 1.161,1144 1.855,1145 1.535,1146 1.488,1147 1.694,1148 1.685,1149 0.959,1150 1.698,1151 1.259,1152 1.217,1153 1.471,1154 1.515,1155 0.669,1156 1.495,1157 1.06,1158 1.034,1159 1.248,1160 1.268,1161 0.442,1162 1.264,1163 0.886,1164 0.821,1165 1.181,1166 1.062,1167 0.218,1168 1.107,1169 0.825,1170 0.799,1171 0.972,1172 0.977,1173 0.113,1174 0.972,1175 4.078,1177 5.442,1178 3.045,1179 6.989,1180 5.533,1181 8.635,1182 7.758,1183 10.342,1184 3.497,1186 5.984,1187 14.006,1189 9.291,1190 2.225,1194 -0.058,1199 29.428,1200 74.039,1201 162.928,1202 194.968,1203 210.477,1204 210.477,1205 210.477,1206 52.026,1207 7.725,1208 42.23,1209 42.23,1210 22,1211 12.883,1212 4.17,1213 3.322,1214 37.625,1215 79,1216 100,1217 0.232,1218 185.856,1219 320.44,1220 445.249,1221 21645,1222 7.1,1223 18.422,1224 0.709,1225 0.621,1226 19.052,1227 16.148,1228 12.436,1229 0.429,1230 0.33,1231 8.398,1232 11.236,1233 8.156,1234 6.63,1235 12.908,1236 9.571,1237 12.029,1238 0.28,1239 0.186,1240 12.533,1241 7.984,1242 9.563,1243 0.162,1244 0.1,1245 10.274,1246 5.884,1247 8.84,1248 0.1,1249 0.054,1250 9.295,1251 4.795,1252 7.364,1253 0.062,1254 0.029,1255 7.945,1256 3.455,1257 0.346,1258 88.719,1259 0.229,1260 24.335,1261 0.694,1262 144,1263 466.499,1264 236.397,1265 493.727,1266 639.8,1267 456,1268 174,1269 410.117,1270 228.181,1271 432.402,1272 638.04,1273 408,1274 4.854}
{0 CHEMBL426559,1 1.815,2 8.862,3 4.851,4 23.535,5 108.977,6 9.082,7 0.5,8 3.99,9 4.065,10 3.845,11 3.642,12 5.123,13 3.596,14 4.56,15 4.68,16 4.193,17 4.068,18 5.943,19 4.02,20 4.853,21 5.011,22 4.248,23 4.211,24 6.03,25 4.138,26 4.908,27 5.084,28 4.339,29 4.254,30 6.027,31 4.178,32 4.99,33 5.156,34 4.397,35 4.302,36 6.374,37 4.239,38 5.051,39 5.234,40 4.303,41 4.321,42 6.237,43 4.224,44 5.012,45 5.19,46 4.235,47 4.262,48 6.269,49 4.154,50 4.986,51 5.198,52 4.174,53 4.048,54 6.308,55 3.952,56 0.148,57 0.714,58 9.041,59 5.138,60 29.524,61 5.204,62 0.439,63 1.217,64 18.685,65 8.961,66 80.481,67 9.834,68 0.686,69 1.575,70 28.395,71 11.578,72 117.271,73 12.552,74 0.675,75 1.719,76 29.94,77 12.136,78 87.012,79 13.648,80 0.949,81 1.874,82 31.592,83 13.626,84 152.539,85 15.18,86 0.923,87 1.928,88 39.563,89 15.483,90 168.735,91 16.55,92 0.847,93 1.822,94 38.594,95 15.411,96 147.847,97 16.019,98 0.955,99 1.593,100 40.79,101 14.359,102 155.826,103 15.583,104 55,105 49,106 0.305,107 0.658,108 0.804,109 0.858,110 0.858,111 0.858,112 3.41,113 1.071,114 -5.04,115 -4.94,116 -4.63,118 43.8,120 3,121 1,123 1,124 1,133 6,134 3,135 3,142 2,145 1,150 1,153 1,154 10,155 1,157 1,158 5,160 1,162 1,164 13,165 1,167 10,170 1,171 10,172 1,174 2,175 5,176 1,179 1,180 8,181 2,183 1,184 6,187 1,189 2,192 14,193 1,196 8,200 1,202 18,203 2,206 10,210 2,211 10,212 3,215 7,216 2,219 3,222 3,223 2,225 2,226 2,228 2,230 2,233 5,236 1383,237 18.712,238 18.712,239 18.712,240 18.712,241 18.712,242 16.257,243 21.426,244 10.646,245 19.231,246 15.837,247 15.837,248 15.837,249 15.837,250 15.837,251 11.948,252 23.082,253 5.125,254 16.805,255 3.77,256 1.667,257 0.797,258 0.474,259 0.474,260 0.474,261 4.096,262 1,265 1,266 1,267 547,268 4,270 99.612,271 139.734,273 81.776,274 93.547,276 127.483,277 1.137,278 53.54,280 1,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.9,288 64.333,289 257,290 4.974,291 5.191,292 7.431,293 4.482,294 3.544,295 4.961,296 2.95,297 13.353,298 3.363,299 4.632,300 3.663,301 6.998,302 4.114,303 3.208,304 4.435,305 2.341,306 11.614,307 2.863,308 4.019,309 3.521,310 6.108,311 3.6,312 2.631,313 3.621,314 0.522,315 8.724,316 2.547,317 3.921,318 2.975,319 5.785,320 3.569,321 2.596,322 3.369,324 7.819,325 2.496,326 3.626,327 2.96,328 5.381,329 3.226,330 2.291,331 2.959,333 6.839,334 2.143,335 3.534,336 2.712,337 5.155,338 3.133,339 2.176,340 2.784,342 6.251,343 2.043,344 3.377,345 2.566,346 4.932,347 2.943,348 2,349 2.662,351 5.686,352 1.859,353 3.277,354 2.367,355 4.85,356 2.851,357 1.893,358 2.516,360 5.31,361 1.727,362 2.759,363 2.057,364 4.503,365 2.394,366 1.433,367 1.802,369 4.185,370 1.362,371 2.5,372 1.517,373 4.305,374 2.135,375 1.144,376 1.5,378 3.535,379 1.128,380 2.49,381 1.065,382 3.694,383 2,384 1,385 1.468,387 2.275,388 1,389 1.915,390 1,391 3.414,392 1.776,393 0.802,394 0.87,395 2.12,396 0.774,397 1.44,398 0.815,399 3.226,400 1.092,401 0.173,402 0.209,403 0.441,404 0.145,405 1.097,406 0.698,407 2.871,408 0.765,409 -0.201,410 -0.233,411 -0.549,412 -0.185,413 1,414 0.55,415 2.639,416 0.571,417 -0.316,418 -0.377,419 -0.803,420 -0.247,421 14.067,422 0.485,423 1.111,424 0.038,425 36.75,426 1.267,427 18.5,428 0.638,429 18.25,430 0.629,431 27.768,432 0.958,433 31.533,434 0.657,435 30.343,436 1.046,437 6.852,438 0.236,439 6.794,440 0.234,441 0.201,442 0.059,443 0.384,445 1,447 0.545,448 1.019,449 0.681,450 1.034,451 0.619,452 0.858,453 0.53,454 1.021,455 0.784,456 0.994,457 0.434,458 0.897,459 0.993,460 1.041,461 0.954,462 0.946,463 0.964,464 1.027,465 0.732,466 0.969,467 0.809,468 0.926,469 0.694,470 0.976,471 0.708,472 1.014,473 0.75,474 0.996,475 0.744,476 0.995,477 1.063,478 1.028,479 0.993,480 1.034,481 1.121,482 1.065,483 1.094,484 1.1,485 1.079,486 1.183,487 1.142,488 1.163,489 1.162,490 1.021,491 0.887,492 1.015,493 1.264,494 1.016,495 8,496 0.099,497 3.333,498 2.889,499 2.494,500 2.053,501 1.157,502 0.728,503 0.679,504 0.227,505 8729,506 32870,507 2.021,508 39.6,509 4,510 11,513 1,514 3,517 1.732,518 1.822,519 3.063,520 -0.302,525 87.129,526 1.815,527 3.917,528 4.788,529 5.111,530 5.111,531 5.111,532 2.452,533 4.418,534 4.825,535 3.248,536 1318.69,537 8.475,538 17042.4,540 1,542 268.078,543 1.723,544 4.745,545 0.25,546 0.012,547 0.068,548 0.059,549 0.048,550 0.036,551 0.023,552 0.016,553 0.019,554 0.009,555 0.541,556 0.17,557 1,558 1.096,559 142.368,560 0.014,561 -0.017,562 0.109,563 0.014,564 -0.08,565 0.056,566 0.121,567 -0.054,568 0.001,569 -0.019,570 0.214,571 0.034,572 -0.162,573 -0.072,574 -0.124,575 -0.026,576 -0.136,577 -0.085,578 -0.02,579 -0.016,581 -0.011,582 -0.035,583 -0.028,584 0.154,585 0.017,586 0.011,587 -0.054,588 0.134,589 -0.044,590 -0.127,591 0.015,592 -0.108,593 -0.041,594 -0.154,595 -0.072,596 -0.145,597 -0.081,598 -0.159,599 -0.14,600 -0.132,601 -0.163,602 -0.097,603 -0.143,604 0.087,605 -0.045,606 -0.13,607 0.006,608 4.616,609 6.301,610 0.621,611 24.507,612 1.024,613 1.119,614 3.807,615 14.495,616 0.706,617 3.497,618 3.912,619 4.19,620 4.585,621 4.92,622 5.13,623 5.38,624 5.509,625 5.613,626 5.673,627 5.532,628 0.678,629 435.93,630 3.497,631 5.094,632 5.969,633 6.909,634 7.823,635 8.771,636 9.705,637 10.659,638 11.604,639 12.56,640 2.1,645 1,650 2,651 6,656 6,657 1,658 16,669 2,670 48,671 19,672 2,673 32,675 51,676 21,677 14,678 6,679 6,681 4,682 7,683 1,688 2,689 1,691 3,693 15,694 6,695 1,696 3,697 1,698 3,701 1,705 1,707 19,708 5,709 1,710 8,711 2,714 1,717 0.5,718 4,727 1,730 2,731 2,733 1,734 1,736 1,739 1,746 1,748 2,750 1,752 1,753 1,754 1,756 29,757 1,759 1,760 4,764 1,772 2,773 8.3,775 1,776 3,779 15.917,780 8.936,781 6.028,782 2.808,785 3.217,786 1.405,787 0.995,788 5.12,789 11.162,790 3.784,791 4.497,792 5.062,793 5.765,794 6.405,795 6.833,796 7.353,797 7.749,798 8.076,799 8.419,800 0.833,801 49,802 11.106,803 5.301,804 8.202,805 20.194,806 17.706,807 2.702,808 78.361,811 1,812 211.88,813 108.73,814 1.899,815 39.149,816 112.141,817 14.96,818 6.046,819 102.684,820 363.17,821 16.859,822 7.19,823 9.709,824 62.903,825 113.051,826 25.016,827 19.861,828 211.88,829 39.149,830 211.88,831 104.583,832 127.101,833 45.195,835 226.84,836 112.141,839 11.608,840 92.975,841 45.195,843 226.84,844 114.04,845 147.879,847 6.046,848 211.88,849 38.637,850 65.947,852 166.25,853 211.88,854 129,855 147.879,857 0.604,858 0.329,859 0.188,860 0.124,861 26,862 13,863 0.098,864 5,865 2,866 1.222,867 3.738,868 279.932,869 0.222,870 18,871 134.881,873 1,874 20.243,875 7.335,876 3.76,877 0.978,878 127.101,879 9.557,884 2.395,885 1.852,886 42.683,887 488.759,888 43,889 -3.7,890 36.274,893 -0.916,895 49.16,896 53.692,897 0.325,898 0.701,899 0.857,900 0.915,901 0.915,902 0.915,903 5.075,904 1.893,905 6.033,906 5.686,907 4.595,908 5.185,909 3.315,910 6.957,911 4.484,912 6.36,913 1.433,914 7.665,915 5.31,916 4.511,917 5.421,918 2.243,919 8.197,920 4.263,921 7.742,922 1.144,923 9.405,924 4.185,925 6.333,926 7.579,927 5.243,928 11.313,929 6.102,930 9.163,931 1,932 11.208,933 3.535,934 7.004,935 8.586,936 4.112,937 13.371,938 6.639,939 10.617,940 0.802,941 13.055,942 2.275,943 8.411,944 10.341,945 7.313,946 16.098,947 8.043,948 12.095,949 0.173,950 14.933,951 2.12,952 9.408,953 11.675,954 5.889,955 18.475,956 8.932,957 13.595,958 -0.201,959 16.834,960 0.441,961 10.685,962 13.304,963 9.427,964 21.088,965 10.182,966 3.544,967 -0.316,968 18.754,969 -0.549,970 11.822,971 14.779,972 7.625,973 23.585,974 11.236,975 3.208,976 13.353,977 20.688,978 -0.803,979 13.063,980 16.369,981 11.56,982 26.166,983 12.436,984 2.631,985 11.614,986 22.633,987 4.961,988 14.261,989 17.904,990 9.342,991 28.709,992 13.567,993 2.596,994 8.724,995 24.588,996 4.435,997 15.497,998 19.485,999 13.706,1000 31.283,1001 14.757,1002 2.291,1003 7.819,1004 26.55,1005 3.621,1006 16.721,1007 21.048,1008 11.051,1009 33.846,1010 15.925,1011 2.176,1012 6.839,1013 28.518,1014 3.369,1015 17.961,1016 22.629,1017 15.858,1018 36.421,1019 17.117,1020 2,1021 6.251,1022 30.49,1023 2.959,1024 19.198,1025 24.204,1026 12.755,1027 38.994,1028 18.303,1029 8601,1030 16786,1031 20.403,1032 33.881,1033 49.992,1034 52.923,1035 51.942,1036 50.095,1037 49.784,1038 66.312,1039 11.625,1040 156.302,1041 46.901,1042 5.866,1043 7.191,1044 6.845,1045 5.537,1046 5.544,1047 7.961,1048 5.9,1049 21.409,1050 5.363,1051 18.23,1052 1.562,1053 1.654,1054 1.623,1055 1.565,1056 1.556,1057 2.072,1058 0.363,1059 4.884,1060 1.466,1061 4.246,1062 4.259,1063 4.744,1064 4.204,1065 8.201,1066 4.172,1067 3.923,1068 3.922,1069 4.116,1070 3.897,1071 7.716,1072 3.844,1073 3.871,1074 3.87,1075 3.971,1076 3.83,1077 7.474,1078 3.775,1079 3.635,1080 3.643,1081 3.603,1082 3.525,1083 6.999,1084 3.494,1085 3.417,1086 3.439,1087 3.431,1088 3.211,1089 6.351,1090 3.233,1091 3.305,1092 3.364,1093 3.331,1094 3.13,1095 4.95,1096 3.131,1097 2.957,1098 2.998,1099 3.076,1100 2.839,1101 4.811,1102 2.834,1103 2.854,1104 2.925,1105 2.758,1106 2.735,1107 4.319,1108 2.715,1109 0.155,1110 0.162,1111 0.232,1112 0.14,1113 0.111,1114 4.974,1115 0.155,1116 5.191,1117 0.092,1118 7.431,1119 0.417,1120 4.482,1121 0.105,1122 3.544,1123 4.961,1124 2.95,1125 13.353,1126 3.363,1127 2.017,1128 2.025,1129 2.04,1130 2.089,1131 1.338,1132 2.11,1133 1.901,1134 1.88,1135 1.966,1136 1.969,1137 1.235,1138 1.991,1139 1.7,1140 1.667,1141 1.876,1142 1.853,1143 1.167,1144 1.863,1145 1.63,1146 1.635,1147 1.71,1148 1.735,1149 1.028,1150 1.778,1151 1.46,1152 1.425,1153 1.574,1154 1.637,1155 0.817,1156 1.66,1157 1.257,1158 1.215,1159 1.471,1160 1.512,1161 0.664,1162 1.494,1163 1.05,1164 1.024,1165 1.25,1166 1.265,1167 0.434,1168 1.26,1169 0.886,1170 0.821,1171 1.181,1172 1.062,1173 0.218,1174 1.107,1175 4.174,1177 5.565,1178 3.045,1179 7.128,1180 5.533,1181 8.786,1182 7.758,1183 10.504,1185 1.056,1186 5.972,1187 14.301,1189 9.334,1190 1.51,1194 -0.252,1199 32.547,1200 87.129,1201 188.039,1202 229.814,1203 245.323,1204 245.323,1205 245.323,1206 81.232,1207 7.946,1208 76.37,1209 84.75,1210 22,1211 13.048,1212 4.322,1213 3.585,1214 44.106,1215 91,1216 118,1217 0.235,1218 202.658,1219 354.55,1220 486.246,1221 27666,1222 4.2,1223 20.922,1224 0.721,1225 0.594,1226 20.802,1227 17.226,1228 13.647,1229 0.426,1230 0.357,1231 9.246,1232 12.116,1233 8.817,1234 7.197,1235 14.436,1236 11.426,1237 14.024,1238 0.286,1239 0.202,1240 15.155,1241 9.903,1242 10.366,1243 0.159,1244 0.105,1245 11.101,1246 6.801,1247 9.323,1248 0.096,1249 0.055,1250 9.938,1251 5.342,1252 8.447,1253 0.062,1254 0.031,1255 8.812,1256 4.175,1257 0.349,1258 97.558,1259 0.221,1260 26.502,1261 0.714,1262 162,1263 562.176,1264 225.486,1265 564.722,1266 732.94,1267 516,1268 195,1269 474.109,1270 258.103,1271 515.598,1272 751.94,1273 482,1274 5}
{0 CHEMBL428524,1 1.336,2 12.708,3 3.631,4 13.182,5 94.713,6 5.789,8 4.1,9 4.241,10 3.395,11 3.544,12 5.027,13 3.472,14 4.723,15 4.943,16 3.676,17 3.943,18 5.64,19 3.812,20 5.077,21 5.364,22 3.645,23 4.074,24 5.862,25 3.899,26 5.069,27 5.354,28 3.587,29 4.063,30 5.858,31 3.875,32 5.065,33 5.361,34 3.585,35 4.031,36 5.846,37 3.841,38 5.017,39 5.305,40 3.581,41 3.979,42 5.85,43 3.808,44 4.975,45 5.258,46 3.493,47 3.93,48 5.897,49 3.748,50 4.906,51 5.206,52 3.383,53 3.859,54 5.707,55 3.659,56 0.068,57 0.761,58 14.865,59 6.016,60 9.839,61 8.521,62 0.306,63 1.203,64 26.587,65 9.582,66 40.295,67 14.227,68 0.432,69 1.41,70 36.009,71 11.526,72 56.103,73 17.676,74 0.428,75 1.383,76 35.554,77 11.628,78 60.176,79 17.671,80 0.459,81 1.347,82 35.202,83 11.362,84 57.97,85 17.366,86 0.424,87 1.279,88 33.929,89 10.567,90 60.096,91 16.225,92 0.539,93 1.217,94 32.723,95 10.124,96 82.999,97 15.508,98 0.473,99 1.13,100 29.972,101 9.637,102 56.606,103 14.695,104 54,105 29,106 0.225,107 0.39,108 0.641,109 0.841,110 0.898,111 0.898,112 3.226,113 1.217,114 -3.71,115 -3.68,116 -3.5,118 32.2,119 1,120 13,124 1,125 2,145 2,150 1,153 1,154 10,155 1,157 1,158 6,160 1,162 3,164 8,165 1,167 4,170 3,171 8,172 1,175 4,179 2,180 8,181 1,184 5,187 1,189 3,192 7,193 1,196 4,200 3,202 8,206 3,207 1,208 1,210 1,211 8,214 1,215 3,217 1,219 1,222 8,226 2,227 1,230 1,233 6,234 3,236 1064,237 15.941,238 15.941,239 15.941,240 15.941,241 15.941,242 15.604,243 15.559,244 10.19,245 16.067,246 11.82,247 11.82,248 11.82,249 11.82,250 11.82,251 11.23,252 17.253,253 4.848,254 12.031,255 4.546,256 3.568,257 2.082,258 0.894,259 0.555,260 0.555,261 3.872,265 1,266 1,267 591,268 4.416,270 83.764,277 2.292,278 30.654,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 52.5,289 305,290 4.124,291 3.774,292 6.471,293 3.986,294 3.026,295 3.249,296 2.341,297 10.007,298 2.899,299 3.55,300 3.596,301 5.086,302 3.337,303 2.374,304 2.71,305 1.94,306 6.161,307 2.281,308 3.391,309 2.7,310 4.883,311 3.241,312 2.235,313 2.398,314 0.555,315 5.282,316 2.223,317 3.054,318 2.542,319 4.659,320 2.863,321 1.852,322 2.061,324 5.184,325 1.862,326 2.803,327 1.866,328 4.139,329 2.764,330 1.763,331 1.801,333 3.85,334 1.759,335 2.597,336 1.639,337 3.688,338 2.579,339 1.585,340 1.595,342 3.137,343 1.573,344 2.414,345 1.583,346 3.598,347 2.349,348 1.366,349 1.4,351 3.051,352 1.337,353 1.956,354 1.157,355 3.181,356 1.906,357 0.915,358 0.933,360 1.969,361 0.903,362 1.865,363 1.08,364 3.095,365 1.825,366 0.823,367 0.837,369 1.642,370 0.823,371 1.584,372 0.765,373 2.639,374 1.498,375 0.509,376 0.526,378 0.938,379 0.499,380 1.287,381 0.638,382 2.475,383 1.224,384 0.237,385 0.242,387 0.495,388 0.232,389 0.965,390 0.451,391 2,392 0.772,393 -0.248,394 -0.267,395 -0.504,396 -0.249,397 0.598,398 0.251,399 2,400 0.555,401 -0.418,402 -0.422,403 -0.731,404 -0.401,405 0.556,406 -0.237,407 1.848,408 0.301,409 -0.724,410 -0.773,411 -1.608,412 -0.717,413 0.324,414 -0.261,415 1.512,416 0.006,417 -1,418 -1.088,419 -2,420 -0.966,421 11.233,422 0.468,423 0.459,424 0.019,425 16.75,426 0.698,427 3,428 0.125,429 13.75,430 0.573,431 29.719,432 1.238,433 30.767,434 0.521,435 9.594,436 0.4,437 2.29,438 0.095,439 9.251,440 0.385,441 0.163,443 0.214,447 0.792,448 1.585,449 1.1,450 1.462,451 0.709,452 1.346,453 0.53,454 1.475,455 1.074,456 1.412,457 0.452,458 1.336,459 0.949,460 0.993,461 1.008,462 0.989,463 0.871,464 0.998,465 0.959,466 1.03,467 1.036,468 1.032,469 0.94,470 1.044,471 0.855,472 0.977,473 0.939,474 0.974,475 0.861,476 0.97,477 1.042,478 0.98,479 0.981,480 0.967,481 0.988,482 0.961,483 1.068,484 0.994,485 1.063,486 0.991,487 1.008,488 1.02,489 0.855,490 0.909,491 0.953,492 0.928,493 0.937,494 0.956,495 4,496 0.126,497 2.222,498 1.292,499 0.73,500 0.524,501 0.412,502 0.207,503 0.161,504 0.2,505 6385,506 15025,507 1.884,508 59.3,509 15,510 4,513 2,514 4,515 10,517 1.665,518 1.756,519 3.6,520 0.255,522 1,525 78.84,526 1.336,527 2.315,528 3.8,529 4.988,530 5.327,531 5.327,532 3.09,533 4.418,534 4.545,535 3.808,536 1051.08,537 7.832,538 13659.8,540 1,541 1,542 347.076,543 1.397,544 4.506,545 0.167,546 0.007,547 0.077,548 0.048,549 0.029,550 0.021,551 0.016,552 0.009,553 0.008,554 0.01,555 0.392,556 0.33,557 0.88,558 2.754,559 118.842,560 -0.051,561 -0.096,562 -0.007,563 -0.017,564 -0.036,565 -0.01,566 0.152,567 -0.212,568 -0.063,569 -0.198,570 0.138,571 -0.171,572 -0.075,573 0.025,574 -0.035,575 0.001,576 -0.053,577 -0.006,578 -0.08,579 -0.027,580 -0.068,581 -0.031,582 -0.07,583 -0.045,584 -0.005,585 -0.003,586 0.015,587 0.002,588 -0.035,589 0.009,590 -0.07,593 0.001,594 -0.054,595 0.012,596 -0.028,597 -0.016,598 -0.07,599 -0.021,600 0.002,601 -0.049,602 0.024,603 0.048,605 0.031,606 -0.041,607 0.01,608 2.401,609 5.035,610 0.208,611 29.306,612 0.99,613 1.142,614 2.482,615 6.163,616 0.589,617 3.219,618 3.401,619 3.497,620 3.611,621 3.611,622 3.611,623 3.611,624 3.611,625 3.584,626 3.584,627 7.403,628 0.54,629 341.55,630 3.219,631 4.673,632 5.434,633 6.236,634 7.027,635 7.844,636 8.653,637 9.481,638 10.303,639 11.138,640 1.7,644 1,670 59,671 2,673 24,675 59,676 19,681 1,682 1,685 1,688 3,691 15,693 2,694 17,696 2,698 2,701 2,704 1,707 35,708 5,709 2,710 5,714 1,717 1,718 4,719 1,730 1,738 1,739 1,746 2,748 1,752 1,756 24,759 2,760 14,764 2,765 1,773 6.8,774 1,775 1,776 2,779 13.667,780 10.1,781 5.722,782 4.333,785 0.159,786 1.026,787 0.843,788 11.149,789 6.346,790 3.296,791 3.526,792 3.611,793 3.738,794 3.761,795 3.738,796 3.761,797 3.761,798 3.738,799 3.829,800 0.889,801 27,802 9.014,803 3.636,804 7.875,805 17.699,806 14.33,807 2.375,808 57,810 1,811 1,812 388.446,813 49.494,814 3.124,816 135.657,819 49.494,820 524.103,821 3.124,822 8.825,823 38.179,824 42.683,825 98.588,828 388.446,830 388.446,831 52.619,832 135.657,835 270.735,836 210.684,837 42.683,839 47.004,840 5.615,843 388.446,844 138.781,845 49.494,848 388.446,849 40.669,850 11.95,852 135.657,853 388.446,854 138.781,855 49.494,857 0.544,858 0.283,859 0.138,860 0.07,861 8,862 5,863 0.237,864 14,866 1,867 3.73,868 157.958,870 5,871 110.039,874 21.277,875 12.576,876 9.352,878 138.781,886 85.367,887 576.722,888 26,890 22.499,893 -0.492,895 58.432,896 67.394,897 0.227,898 0.393,899 0.646,900 0.848,901 0.906,902 0.906,903 4.489,904 0.915,905 5.352,906 3.051,907 4.078,908 4.205,909 2.788,910 6.014,911 4.038,912 5.541,913 0.823,914 6.821,915 1.969,916 3.434,917 3.761,918 2.619,919 6.72,920 3.326,921 6.744,922 0.509,923 8.4,924 1.642,925 5.509,926 5.79,927 4.027,928 9.778,929 5.409,930 7.975,931 0.237,932 10.05,933 0.938,934 5.74,935 6.217,936 4.418,937 11.465,938 5.546,939 9.246,940 -0.248,941 11.751,942 0.495,943 7.246,944 7.695,945 5.492,946 14.028,947 7.059,948 10.542,949 -0.418,950 13.491,951 -0.504,952 7.923,953 8.525,954 6.117,955 16.103,956 7.641,957 11.859,958 -0.724,959 15.26,960 -0.731,961 9.187,962 9.797,963 7.055,964 18.501,965 8.897,966 3.026,967 -1,968 17.052,969 -1.608,970 10.089,971 10.813,972 7.79,973 20.72,974 9.719,975 2.374,976 10.007,977 18.862,978 -2,979 11.252,980 12.01,981 8.671,982 23.06,983 10.859,984 2.235,985 6.161,986 20.685,987 3.249,988 12.263,989 13.11,990 9.46,991 25.332,992 11.803,993 1.852,994 5.282,995 22.518,996 2.71,997 13.387,998 14.283,999 10.317,1000 27.65,1001 12.894,1002 1.763,1003 5.184,1004 24.36,1005 2.398,1006 14.449,1007 15.422,1008 11.134,1009 29.94,1010 13.898,1011 1.585,1012 3.85,1013 26.207,1014 2.061,1015 15.559,1016 16.589,1017 11.982,1018 32.25,1019 14.97,1020 1.366,1021 3.137,1022 28.059,1023 1.801,1024 16.644,1025 17.746,1026 12.813,1027 34.548,1028 16.004,1029 6804,1030 10560,1031 15.197,1032 34.768,1033 33.414,1034 34.5,1035 34.663,1036 33.421,1037 33.372,1038 35.501,1039 9.674,1040 83.433,1041 32.779,1042 5.103,1043 5.716,1044 6.382,1045 4.995,1046 5.007,1047 5.249,1048 3.925,1049 16.515,1050 4.862,1051 14.692,1052 1.392,1053 1.438,1054 1.444,1055 1.393,1056 1.39,1057 1.479,1058 0.403,1059 3.476,1060 1.366,1061 3.944,1062 3.997,1063 3.842,1064 3.792,1065 7.474,1066 3.794,1067 3.762,1068 3.822,1069 3.613,1070 3.629,1071 7.427,1072 3.615,1073 3.74,1074 3.794,1075 3.603,1076 3.598,1077 6.449,1078 3.587,1079 3.551,1080 3.614,1081 3.384,1082 3.388,1083 6.351,1084 3.376,1085 3.492,1086 3.541,1087 3.345,1088 3.311,1089 4.288,1090 3.308,1091 3.245,1092 3.328,1093 3.04,1094 3.071,1095 4.17,1096 3.049,1097 3.171,1098 3.228,1099 2.994,1100 2.927,1101 4.079,1102 2.935,1103 2.978,1104 3.049,1105 2.776,1106 2.739,1107 3.85,1108 2.732,1109 0.172,1110 0.157,1111 0.27,1112 0.166,1113 0.126,1114 4.124,1115 0.135,1116 3.774,1117 0.098,1118 6.471,1119 0.417,1120 3.986,1121 0.121,1122 3.026,1123 3.249,1124 2.341,1125 10.007,1126 2.899,1127 1.816,1128 1.76,1129 2.047,1130 1.984,1131 1.416,1132 2.006,1133 1.772,1134 1.714,1135 2.018,1136 1.941,1137 1.369,1138 1.969,1139 1.679,1140 1.615,1141 1.935,1142 1.852,1143 1.288,1144 1.883,1145 1.554,1146 1.505,1147 1.788,1148 1.772,1149 1.087,1150 1.775,1151 1.496,1152 1.433,1153 1.777,1154 1.697,1155 1.075,1156 1.725,1157 1.355,1158 1.299,1159 1.636,1160 1.596,1161 0.894,1162 1.601,1163 1.176,1164 1.098,1165 1.483,1166 1.433,1167 0.725,1168 1.46,1169 1.014,1170 0.951,1171 1.348,1172 1.308,1173 0.576,1174 1.315,1175 3.892,1177 5.106,1178 2.398,1179 6.475,1180 4.727,1181 7.928,1182 6.783,1183 9.436,1185 2.163,1189 18.666,1190 12.111,1194 0.058,1195 1.996,1199 31.836,1200 78.84,1201 136.557,1202 224.214,1203 294.321,1204 314.321,1205 314.321,1206 100.461,1207 6.186,1208 77.84,1209 77.84,1210 5,1211 11.711,1212 1.585,1213 1.585,1214 67.281,1215 101,1216 115,1217 0.311,1218 202.556,1219 365.78,1220 485.997,1221 3630,1223 17.786,1224 0.741,1225 0.634,1226 17.786,1227 15.212,1228 11.541,1229 0.481,1230 0.406,1231 9.648,1232 11.157,1233 9.454,1234 7.896,1235 11.541,1236 9.735,1237 9.542,1238 0.329,1239 0.244,1240 9.542,1241 7.065,1242 6.729,1243 0.21,1244 0.155,1245 6.729,1246 4.966,1247 4.92,1248 0.137,1249 0.096,1250 4.92,1251 3.472,1252 3.381,1253 0.094,1254 0.062,1255 3.381,1256 2.235,1257 0.506,1258 72.092,1259 0.257,1260 24.445,1261 0.799,1262 106,1263 297.416,1264 117.494,1265 276.146,1266 347.68,1267 254,1268 114,1269 225.745,1270 123.31,1271 222.242,1272 316.69,1273 210,1274 4.886}
{0 CHEMBL428794,1 1.453,2 13.667,3 3.594,4 12.915,5 117.396,6 7.197,7 0.194,8 4.174,9 4.278,10 3.663,11 3.674,12 5.276,13 3.637,14 4.727,15 4.88,16 4.004,17 4.071,18 5.847,19 3.994,20 5.105,21 5.324,22 4.06,23 4.23,24 6.13,25 4.114,26 5.131,27 5.372,28 3.992,29 4.197,30 6.119,31 4.064,32 5.088,33 5.339,34 3.909,35 4.15,36 6.123,37 4.014,38 5.059,39 5.298,40 3.924,41 4.123,42 6.107,43 3.998,44 5.077,45 5.313,46 3.949,47 4.088,48 6.182,49 3.965,50 5.038,51 5.292,52 3.761,53 4.029,54 6.009,55 3.888,56 0.114,57 0.756,58 13.778,59 6.429,60 28.171,61 8.008,62 0.292,63 1.222,64 25.55,65 10.724,66 67.101,67 13.886,68 0.706,69 1.568,70 42.191,71 14.237,72 114.604,73 19.047,74 0.707,75 1.586,76 43.542,77 14.312,78 114.21,79 19.529,80 0.676,81 1.525,82 40.751,83 13.734,84 121.362,85 18.966,86 0.651,87 1.47,88 40.26,89 13.318,90 119.282,91 18.188,92 0.919,93 1.445,94 42.082,95 13.046,96 143.836,97 17.738,98 0.843,99 1.369,100 40.878,101 12.48,102 121.828,103 17.093,104 44,105 40,106 0.239,107 0.584,108 0.808,109 0.915,110 0.937,111 0.937,112 3.439,113 1.037,114 -3.81,115 -3.77,116 -3.58,118 37.7,120 6,121 2,124 1,125 3,129 4,133 4,135 2,145 1,150 1,153 1,154 12,155 1,158 3,160 1,162 6,164 15,165 1,167 3,168 1,170 8,171 13,172 1,175 4,179 6,180 11,181 1,184 2,188 1,189 7,192 10,193 1,196 2,199 1,200 6,202 9,203 1,206 3,208 1,209 1,210 7,211 10,212 1,215 3,217 1,219 4,222 9,223 1,226 2,230 5,231 1,233 9,234 2,236 1888,237 19.742,238 19.742,239 19.742,240 19.742,241 19.742,242 18.345,243 21.387,244 12.101,245 20.112,246 15.288,247 15.288,248 15.288,249 15.288,250 15.288,251 13.214,252 21.021,253 5.792,254 15.986,255 4.478,256 2.377,257 1.013,258 0.361,259 0.23,260 0.23,261 4.106,262 1,265 1,266 1,267 831,268 4.359,271 236.14,277 2.511,278 46.213,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 66.333,289 410,290 4.125,291 3.596,292 6.636,293 4.08,294 3.097,295 3.648,296 2.341,297 10.548,298 3.043,299 4.043,300 3.286,301 5.513,302 3.592,303 2.666,304 3.167,305 0.86,306 7.462,307 2.448,308 3.552,309 3.074,310 5.495,311 3.303,312 2.358,313 2.713,314 0.765,315 6.755,316 2.229,317 3.511,318 2.858,319 5.026,320 3.241,321 2.237,322 2.622,324 6.049,325 2.217,326 3.304,327 2.559,328 4.723,329 3.151,330 2.203,331 2.496,333 5.239,334 2.077,335 3.226,336 2.498,337 4.659,338 2.829,339 1.947,340 2.283,342 5.184,343 1.777,344 3.102,345 2.154,346 4.55,347 2.787,348 1.807,349 2.119,351 4.572,352 1.642,353 2.748,354 1.925,355 3.838,356 2.621,357 1.632,358 1.765,360 3.491,361 1.6,362 2.667,363 1.569,364 3.56,365 2.188,366 1.218,367 1.715,369 2.67,370 1.161,371 2.383,372 1.412,373 3.483,374 2.151,375 1.162,376 1.3,378 2.576,379 1.137,380 2.21,381 1.14,382 3.227,383 1.837,384 0.86,385 1.059,387 1.926,388 0.834,389 1.648,390 1.043,391 2.985,392 1.459,393 0.528,394 0.573,395 1.223,396 0.482,397 1.478,398 0.797,399 2.753,400 1.28,401 0.34,402 0.363,403 0.734,404 0.318,405 1.145,406 0.56,407 2.599,408 1.003,409 0.071,410 0.075,411 0.153,412 0.066,413 1.028,414 0.408,415 2.362,416 0.774,417 -0.2,418 -0.227,419 -0.474,420 -0.193,421 14.214,422 0.474,423 0.723,424 0.024,425 27.5,426 0.917,427 10,428 0.333,429 17.5,430 0.583,431 33.675,432 1.122,433 35.586,434 0.583,435 21.351,436 0.712,437 5.22,438 0.174,439 9.143,440 0.305,441 0.168,443 0.281,447 0.894,448 1.178,449 0.783,450 1.076,451 0.909,452 1.033,453 0.756,454 1.346,455 0.861,456 1.243,457 0.651,458 1.213,459 0.997,460 1.046,461 0.968,462 1.018,463 0.967,464 1.04,465 0.925,466 1.027,467 0.867,468 1,469 0.91,470 1.015,471 0.829,472 0.973,473 0.787,474 0.931,475 0.835,476 0.952,477 0.901,478 1.039,479 0.882,480 1.012,481 0.909,482 1.005,483 0.994,484 0.992,485 0.886,486 0.969,487 0.978,488 0.993,489 1.109,490 0.829,491 0.937,492 0.827,493 1.008,494 0.898,495 6,496 0.236,497 3.111,498 1.75,499 1.507,500 0.826,501 0.552,502 0.342,503 0.271,504 0.274,505 12235,506 39041,507 1.94,508 50.8,509 6,510 13,513 4,514 2,515 6,517 1.727,518 1.8,519 3.685,520 1.598,522 1,525 88.643,526 1.453,527 3.554,528 4.918,529 5.57,530 5.701,531 5.701,532 3.219,533 4.44,534 4.871,535 3.937,536 1712.46,537 8.495,538 25859.4,540 1,542 361.775,543 1.457,544 4.825,545 0.194,546 0.007,547 0.078,548 0.044,549 0.042,550 0.024,551 0.016,552 0.01,553 0.009,554 0.009,555 0.432,556 0.17,557 0.88,558 1.773,559 158.648,560 -0.106,561 0.089,562 -0.019,563 0.086,564 -0.124,565 0.056,566 0.019,567 -0.178,568 -0.058,569 -0.148,570 0.065,571 -0.156,572 -0.061,573 -0.033,574 -0.058,575 -0.027,576 -0.075,577 -0.049,578 -0.042,579 -0.042,580 -0.004,581 -0.04,582 -0.06,583 -0.034,584 0.002,585 0.006,586 0.032,587 0.018,588 0.025,589 0.03,590 -0.01,591 -0.055,592 -0.008,593 -0.05,594 -0.005,595 -0.023,596 0.038,597 -0.031,598 0.009,599 -0.031,600 0.015,601 -0.035,602 -0.09,603 0.105,604 -0.032,605 0.095,606 -0.093,607 0.053,608 2.475,609 4.431,610 0.4,611 38.72,612 1.007,613 1.129,614 2.58,615 6.658,616 0.636,617 3.466,618 3.714,619 3.85,620 4.007,621 4.159,622 4.094,623 4.043,624 4.025,625 4.127,626 4.143,627 8.16,628 0.599,629 438.99,630 3.466,631 4.963,632 5.753,633 6.583,634 7.396,635 8.233,636 9.057,637 9.899,638 10.732,639 11.577,651 4,656 2,658 6,668 1,669 1,670 61,671 9,672 1,673 31,675 62,676 23,677 6,678 2,679 4,681 2,682 2,683 1,688 4,689 2,691 9,693 11,694 12,695 2,696 3,698 1,699 4,701 1,704 1,707 31,708 6,709 4,710 7,711 1,717 1,718 6,719 3,731 2,739 1,741 4,746 4,748 2,753 1,756 30,759 4,760 7,762 1,764 5,772 1,773 9.8,774 3,775 1,776 1,778 1,779 16.667,780 9.86,781 6.833,782 3.661,785 1.835,786 1.265,787 0.831,788 10.721,789 8.76,790 3.638,791 4.034,792 4.334,793 4.688,794 5.039,795 5.001,796 4.986,797 5.115,798 5.355,799 5.52,800 1,801 40,802 11.218,803 4.755,804 8.059,805 21.065,806 17.183,807 2.559,808 76.778,811 1,812 317.82,813 105.263,815 39.149,816 206.878,819 105.263,820 563.847,823 19.8,824 203.86,825 68.738,826 19.744,828 317.82,829 39.149,830 317.82,831 105.263,832 206.878,833 39.149,835 247.193,836 149.455,837 128.05,839 19.8,840 47.559,841 77.054,843 317.82,844 206.878,845 144.412,848 317.82,849 29.453,850 75.81,852 246.027,853 317.82,854 206.878,855 144.412,857 0.566,858 0.303,859 0.152,860 0.084,861 14,862 8,863 0.177,864 11,866 1,867 4.214,868 232.265,870 12,871 147.207,874 24.734,875 13.003,876 9.023,878 206.878,879 6.918,884 1.115,886 170.733,887 669.11,888 37,890 10.543,891 7.223,893 -0.808,895 61.425,896 68.844,897 0.245,898 0.599,899 0.829,900 0.939,901 0.961,902 0.961,903 4.856,904 1.632,905 5.707,906 4.572,907 4.394,908 4.718,909 2.502,910 6.418,911 4.307,912 5.985,913 1.218,914 7.21,915 3.491,916 3.892,917 4.248,918 2.243,919 7.182,920 3.698,921 7.224,922 1.162,923 8.815,924 2.67,925 5.889,926 6.573,927 3.674,928 10.238,929 5.734,930 8.486,931 0.86,932 10.482,933 2.576,934 6.176,935 6.838,936 4.112,937 11.899,938 5.932,939 9.777,940 0.528,941 12.193,942 1.926,943 7.654,944 8.697,945 5.208,946 14.499,947 7.443,948 11.086,949 0.34,950 13.937,951 1.223,952 8.34,953 9.34,954 5.889,955 16.56,956 8.069,957 12.412,958 0.071,959 15.707,960 0.734,961 9.599,962 10.986,963 6.849,964 19.006,965 9.347,966 3.097,967 -0.2,968 17.498,969 0.153,970 10.497,971 11.852,972 7.625,973 21.239,974 10.209,975 2.666,976 10.548,977 19.307,978 -0.474,979 11.663,980 13.377,981 8.526,982 23.63,983 11.382,984 2.358,985 7.462,986 21.131,987 3.648,988 12.671,989 14.385,990 9.342,991 25.933,992 12.368,993 2.237,994 6.755,995 22.967,996 3.167,997 13.801,998 15.834,999 10.216,1000 28.303,1001 13.498,1002 2.203,1003 6.049,1004 24.814,1005 2.713,1006 14.866,1007 16.934,1008 11.051,1009 30.636,1010 14.548,1011 1.947,1012 5.239,1013 26.668,1014 2.622,1015 15.985,1016 18.333,1017 11.912,1018 32.998,1019 15.662,1020 1.807,1021 5.184,1022 28.53,1023 2.496,1024 17.078,1025 19.495,1026 12.755,1027 35.344,1028 16.743,1029 12379,1030 22214,1031 19.879,1032 38.767,1033 44.962,1034 45.644,1035 45.839,1036 44.492,1037 44.251,1038 51.796,1039 7.931,1040 117.165,1041 42.06,1042 5.125,1043 5.596,1044 6.461,1045 5.127,1046 5.097,1047 6.648,1048 3.925,1049 17.631,1050 5.043,1051 18.266,1052 1.45,1053 1.472,1054 1.479,1055 1.435,1056 1.427,1057 1.671,1058 0.256,1059 3.78,1060 1.357,1061 3.973,1062 4.008,1063 3.996,1064 3.875,1065 7.474,1066 3.869,1067 3.888,1068 3.907,1069 3.853,1070 3.818,1071 6.459,1072 3.811,1073 3.742,1074 3.788,1075 3.619,1076 3.619,1077 6.448,1078 3.609,1079 3.619,1080 3.657,1081 3.53,1082 3.472,1083 6.441,1084 3.472,1085 3.504,1086 3.543,1087 3.393,1088 3.338,1089 6.351,1090 3.339,1091 3.251,1092 3.298,1093 3.315,1094 3.058,1095 4.978,1096 3.058,1097 3.23,1098 3.274,1099 3.095,1100 3.009,1101 4.553,1102 3.018,1103 3.045,1104 3.088,1105 3.059,1106 2.815,1107 4.421,1108 2.816,1109 0.133,1110 0.116,1111 0.214,1112 0.132,1113 0.1,1114 4.125,1115 0.118,1116 3.596,1117 0.076,1118 6.636,1119 0.34,1120 4.08,1121 0.098,1122 3.097,1123 3.648,1124 2.341,1125 10.548,1126 3.043,1127 1.932,1128 1.897,1129 2.103,1130 2.062,1131 1.501,1132 2.076,1133 1.867,1134 1.848,1135 1.965,1136 1.963,1137 1.252,1138 1.968,1139 1.739,1140 1.691,1141 1.956,1142 1.897,1143 1.071,1144 1.918,1145 1.593,1146 1.553,1147 1.796,1148 1.773,1149 1.011,1150 1.781,1151 1.475,1152 1.429,1153 1.721,1154 1.672,1155 0.989,1156 1.684,1157 1.219,1158 1.165,1159 1.495,1160 1.454,1161 0.758,1162 1.464,1163 1.171,1164 1.125,1165 1.439,1166 1.44,1167 0.669,1168 1.437,1169 0.968,1170 0.92,1171 1.273,1172 1.273,1173 0.457,1174 1.269,1175 4.143,1177 5.407,1179 6.845,1181 8.374,1183 9.96,1186 5.913,1189 39.73,1190 3.038,1192 5.532,1194 -2.426,1199 36.545,1200 88.643,1201 216.8,1202 300.001,1203 339.775,1204 347.775,1205 347.775,1206 117.125,1207 6.925,1208 107.22,1209 107.22,1210 12,1211 12.142,1212 3.322,1213 2.807,1214 69.366,1215 140,1216 158,1217 0.227,1218 231.353,1219 422.95,1220 556.262,1221 10034,1222 1.6,1223 21.933,1224 0.731,1225 0.59,1226 22.433,1227 17.695,1228 14.363,1229 0.463,1230 0.346,1231 10.256,1232 13.571,1233 10.062,1234 8.274,1235 14.652,1236 10.72,1237 12.643,1238 0.316,1239 0.203,1240 13.051,1241 8.103,1242 9.264,1243 0.201,1244 0.12,1245 9.526,1246 5.535,1247 7.045,1248 0.13,1249 0.071,1250 7.313,1251 3.848,1252 5.491,1253 0.087,1254 0.042,1255 5.668,1256 2.645,1257 0.368,1258 93.149,1259 0.224,1260 29.206,1261 0.591,1262 142,1263 448.273,1264 171.802,1265 448.522,1266 565.22,1267 414,1268 157,1269 349.802,1270 178.829,1271 358.62,1272 515.08,1273 338,1274 4.252}
{0 CHEMBL430121,1 1.628,2 13.786,3 2.516,4 6.332,5 114.43,6 7.302,7 0.367,8 4.087,9 4.218,10 3.67,11 3.622,12 5.141,13 3.564,14 4.637,15 4.821,16 3.944,17 4.012,18 5.621,19 3.906,20 4.89,21 5.133,22 3.893,23 4.089,24 5.78,25 3.941,26 4.898,27 5.15,28 3.83,29 4.059,30 5.783,31 3.893,32 4.892,33 5.154,34 3.753,35 4.004,36 5.789,37 3.852,38 4.876,39 5.135,40 3.755,41 3.985,42 5.776,43 3.838,44 4.862,45 5.128,46 3.793,47 3.96,48 5.831,49 3.788,50 4.735,51 5.003,52 3.631,53 3.875,54 5.592,55 3.715,56 0.108,57 0.844,58 12.788,59 5.462,60 13.764,61 7.102,62 0.243,63 1.331,64 26.39,65 9.531,66 26.174,67 12.457,68 0.335,69 1.477,70 34.773,71 11.312,72 45.656,73 15.753,74 0.325,75 1.437,76 35.422,77 11.719,78 52.421,79 16.214,80 0.386,81 1.381,82 35.1,83 11.345,84 54.01,85 15.829,86 0.347,87 1.357,88 32.344,89 10.711,90 53.656,91 14.999,92 0.506,93 1.334,94 35.185,95 10.931,96 77.605,97 14.873,98 0.375,99 1.226,100 32.106,101 9.995,102 43.815,103 13.445,104 5,105 38,106 0.271,107 0.614,108 0.811,109 0.881,110 0.889,111 0.889,112 3.373,113 1.087,114 -4.41,115 -4.34,116 -4.09,118 36.4,120 5,124 3,125 2,129 2,133 5,134 1,139 1,145 1,149 1,152 2,154 10,157 3,158 5,160 1,162 2,164 11,167 5,170 2,171 10,175 3,179 3,180 8,184 6,187 1,189 3,192 9,196 4,200 3,202 6,206 5,208 1,210 2,211 8,214 2,215 3,219 1,222 7,225 1,226 3,228 1,233 6,236 1544,237 19.242,238 19.242,239 19.242,240 19.242,241 19.242,242 17.585,243 20.287,244 12.021,245 19.654,246 14.854,247 14.854,248 14.854,249 14.854,250 14.854,251 12.382,252 20.972,253 5.78,254 15.502,255 4.153,256 2.092,257 0.907,258 0.486,259 0.436,260 0.436,261 4.058,265 1,266 1,267 820,268 3.808,270 188.102,271 107.741,277 2.515,278 23.718,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 60.5,289 386,290 4.141,291 4.249,292 6.471,293 3.986,294 3.027,295 3.479,296 3.272,297 10.007,298 2.899,299 3.931,300 3.789,301 5.485,302 3.609,303 2.622,304 3.458,305 1.943,306 7.394,307 2.589,308 3.92,309 2.995,310 5.352,311 3.476,312 2.542,313 3.277,314 0.765,315 6.997,316 2.371,317 3.469,318 2.805,319 4.988,320 3.142,321 2.165,322 2.611,323 0.736,324 5.713,325 2.109,326 3.063,327 2.762,328 4.761,329 2.82,330 1.824,331 2.148,332 0.079,333 5.134,334 1.811,335 2.871,336 2.434,337 4.139,338 2.752,339 1.799,340 1.917,342 3.875,343 1.707,344 2.816,345 2.122,346 3.775,347 2.41,348 1.47,349 1.872,351 3.318,352 1.403,353 2.66,354 1.81,355 3.585,356 2.381,357 1.408,358 1.689,360 3.021,361 1.324,362 2.5,363 1.524,364 3.469,365 2.181,366 1.208,367 1.5,369 2.674,370 1.168,371 2.389,372 1.189,373 3.247,374 2,375 1,376 1.364,378 2.136,379 1,380 2.136,381 1.151,382 3.165,383 1.778,384 0.859,385 0.927,387 1.879,388 0.772,389 2.118,390 1.081,391 3.089,392 1.616,393 0.639,394 0.919,395 1.467,396 0.618,397 1.929,398 1,399 3,400 1.591,401 0.618,402 0.847,403 1.372,404 0.6,405 1.38,406 0.618,407 2.672,408 1.178,409 0.247,410 0.268,411 0.55,412 0.226,413 1.067,414 0.548,415 2.483,416 0.828,417 -0.152,418 -0.174,419 -0.367,420 -0.147,421 13.5,422 0.482,423 0.452,424 0.016,425 29.25,426 1.045,427 12.5,428 0.446,429 16.75,430 0.598,431 28.053,432 1.002,433 31.5,434 0.573,435 18.564,436 0.663,437 5.2,438 0.186,439 8.521,440 0.304,441 0.049,443 0.215,447 0.684,448 1.111,449 0.809,450 1.019,451 0.677,452 1.02,453 0.716,454 1.222,455 1.203,456 1.31,457 0.65,458 1.19,459 1.011,460 0.999,461 1.026,462 1.068,463 1.039,464 1.067,465 0.961,466 1.024,467 1,468 1.098,469 1.112,470 1.085,471 0.984,472 0.952,473 0.959,474 1.018,475 1.095,476 1,477 1.193,478 0.919,479 0.867,480 0.892,481 1.275,482 0.998,483 1.101,484 0.891,485 0.966,486 0.922,487 1.179,488 0.955,489 0.998,490 0.823,491 1.145,492 1.001,493 1.05,494 0.918,495 4,496 0.112,497 2.222,498 1.451,499 0.846,500 0.445,501 0.445,502 0.219,503 0.179,504 0.19,505 11870,506 32474,507 2.076,508 49.1,510 15,513 2,514 2,515 8,517 1.705,518 2,519 3.716,520 0.282,521 1,522 1,525 89.545,526 1.628,527 3.689,528 4.875,529 5.295,530 5.345,531 5.345,532 3.213,533 4.522,534 4.775,535 3.957,536 1495.68,537 8.276,538 21914.6,540 1,541 1,542 317.975,543 1.095,544 4.765,545 0.133,546 0.004,547 0.058,548 0.044,549 0.028,550 0.015,551 0.015,552 0.008,553 0.007,554 0.007,555 0.32,556 0.17,557 0.88,558 0.444,559 146.16,560 0.109,561 0.144,562 0.065,563 0.063,564 0.008,565 0.024,566 0.091,567 -0.06,568 -0.139,569 -0.171,570 0.037,571 -0.153,572 -0.091,573 -0.019,574 -0.051,575 -0.051,576 -0.081,577 -0.059,578 -0.05,579 -0.089,580 -0.023,581 -0.077,582 -0.054,583 -0.069,584 -0.001,585 -0.045,586 -0.013,587 -0.044,588 -0.02,589 -0.003,590 -0.119,591 -0.011,592 -0.009,593 0.009,594 -0.112,595 -0.027,596 0.007,597 0.02,598 0.054,599 0.068,600 0.039,601 0.027,602 -0.049,603 0.135,604 -0.053,605 0.048,606 -0.076,607 0.081,608 1.86,609 5.193,610 0.571,611 35.031,612 0.999,613 1.135,614 3.18,615 10.11,616 0.654,617 3.434,618 3.664,619 3.85,620 4.025,621 4.007,622 3.932,623 3.97,624 4.007,625 4.007,626 4.111,627 8.235,628 0.609,629 401.59,630 3.434,631 4.92,632 5.72,633 6.544,634 7.358,635 8.187,636 9.008,637 9.841,638 10.666,639 11.501,640 9.1,644 1,645 1,647 3,651 5,652 3,653 1,656 2,658 11,670 55,671 13,672 1,673 30,675 57,676 20,677 7,678 1,679 5,681 3,682 3,688 3,691 7,693 10,694 10,696 2,698 1,699 2,701 1,704 1,707 27,708 6,709 2,710 8,711 1,714 5,717 1,718 2,719 1,730 2,731 1,738 1,741 2,746 1,748 3,749 1,750 1,756 28,759 1,760 8,763 1,764 2,765 1,773 3.6,774 1,776 1,779 14,780 9.333,781 6.389,782 3.384,785 2.007,786 1.288,787 0.918,788 8.373,789 8.975,790 3.651,791 4.073,792 4.479,793 4.869,794 5.016,795 4.877,796 5.013,797 5.179,798 5.303,799 5.542,800 1,801 33,802 10.388,803 4.298,804 7.714,805 20.134,806 16.346,807 2.214,808 62,811 1,812 294.278,813 125.349,814 69.531,816 67.828,818 32.22,819 93.13,820 362.106,821 69.531,823 19.702,824 109.017,825 79.716,826 22.054,828 326.497,830 294.278,831 162.661,832 67.828,833 32.22,835 202.437,836 119.314,837 42.683,839 36.243,840 55.271,841 68.819,842 32.22,843 294.278,844 137.36,845 125.349,848 294.278,849 59.015,850 69.458,851 16.54,852 117.695,853 294.278,854 137.36,855 125.349,857 0.557,858 0.313,859 0.167,860 0.077,861 15,862 6,863 0.193,864 11,866 1,867 4.298,868 212.514,870 16,871 130.606,872 1,874 20.879,875 11.229,876 6.93,878 120.819,879 9.948,880 11.38,881 2.469,884 1.83,886 59.224,887 556.986,888 37.5,890 12.193,891 3.841,893 0.214,895 54.96,896 62.398,897 0.282,898 0.638,899 0.843,900 0.916,901 0.925,902 0.925,903 4.842,904 1.408,905 5.638,906 3.318,907 4.344,908 4.758,909 3.428,910 6.326,911 4.269,912 5.956,913 1.208,914 7.114,915 3.021,916 3.611,917 4.06,918 1.668,919 6.986,920 3.494,921 7.184,922 1,923 8.692,924 2.674,925 5.808,926 6.671,927 5.521,928 10.069,929 5.66,930 8.446,931 0.859,932 10.337,933 2.136,934 5.994,935 6.868,936 3.138,937 11.687,938 5.792,939 9.742,940 0.639,941 12.029,942 1.879,943 7.553,944 8.848,945 7.832,946 14.233,947 7.329,948 11.062,949 0.618,950 13.756,951 1.467,952 8.188,953 9.472,954 4.549,955 16.249,956 7.906,957 12.4,958 0.247,959 15.508,960 1.372,961 9.473,962 11.157,963 10.186,964 18.625,965 9.168,966 3.027,967 -0.152,968 17.281,969 0.55,970 10.335,971 12.007,972 5.925,973 20.807,974 9.974,975 2.622,976 10.007,977 19.069,978 -0.367,979 11.5,980 13.534,981 12.551,982 23.13,983 11.111,984 2.542,985 7.394,986 20.871,987 3.479,988 12.476,989 14.513,990 7.279,991 25.381,992 12.034,993 2.165,994 6.997,995 22.684,996 3.458,997 13.592,998 15.946,999 14.92,1000 27.687,1001 13.116,1002 1.824,1003 5.713,1004 24.506,1005 3.277,1006 14.625,1007 17.006,1008 8.621,1009 29.967,1010 14.1,1011 1.799,1012 5.134,1013 26.335,1014 2.611,1015 15.722,1016 18.38,1017 17.291,1018 32.27,1019 15.16,1020 1.47,1021 3.875,1022 28.17,1023 2.148,1024 16.785,1025 19.491,1026 9.957,1027 34.563,1028 16.175,1029 11368,1030 18978,1031 20.455,1032 35.961,1033 43.651,1034 46.392,1035 43.464,1036 42.867,1037 42.853,1038 52.55,1039 13.59,1040 111.073,1041 41.195,1042 5.121,1043 6.249,1044 6.299,1045 5.094,1046 5.027,1047 6.479,1048 6.545,1049 16.517,1050 4.899,1051 9.714,1052 1.455,1053 1.546,1054 1.449,1055 1.429,1056 1.428,1057 1.752,1058 0.453,1059 3.702,1060 1.373,1061 3.966,1062 4.009,1063 3.957,1064 3.881,1065 7.427,1066 3.874,1067 3.883,1068 3.924,1069 3.867,1070 3.762,1071 6.451,1072 3.763,1073 3.817,1074 3.909,1075 3.798,1076 3.625,1077 5.256,1078 3.592,1079 3.622,1080 3.684,1081 3.636,1082 3.445,1083 4.748,1084 3.459,1085 3.539,1086 3.582,1087 3.452,1088 3.382,1089 4.392,1090 3.386,1091 3.201,1092 3.275,1093 3.255,1094 3.064,1095 4.102,1096 3.01,1097 3.131,1098 3.185,1099 2.997,1100 2.993,1101 3.916,1102 2.982,1103 2.934,1104 3.036,1105 2.744,1106 2.735,1107 3.755,1108 2.715,1109 0.138,1110 0.142,1111 0.216,1112 0.133,1113 0.101,1114 4.141,1115 0.116,1116 4.249,1117 0.109,1118 6.471,1119 0.334,1120 3.986,1121 0.097,1122 3.027,1123 3.479,1124 3.272,1125 10.007,1126 2.899,1127 1.926,1128 1.897,1129 2.059,1130 2.014,1131 1.317,1132 2.031,1133 1.752,1134 1.701,1135 1.953,1136 1.916,1137 1.245,1138 1.934,1139 1.67,1140 1.623,1141 1.88,1142 1.813,1143 1.171,1144 1.841,1145 1.506,1146 1.462,1147 1.725,1148 1.7,1149 0.952,1150 1.71,1151 1.45,1152 1.397,1153 1.6,1154 1.66,1155 0.889,1156 1.655,1157 1.321,1158 1.263,1159 1.526,1160 1.594,1161 0.767,1162 1.562,1163 1.086,1164 1.002,1165 1.38,1166 1.537,1167 0.609,1168 1.492,1169 1.054,1170 0.922,1171 1.226,1172 1.273,1173 0.344,1174 1.317,1175 4.111,1177 5.361,1178 3.045,1179 6.777,1180 5.283,1181 8.269,1182 7.248,1183 9.806,1189 10.257,1190 6.565,1193 1.775,1194 -0.425,1195 1.954,1199 33.519,1200 89.545,1201 202.9,1202 268.1,1203 291.22,1204 293.975,1205 293.975,1206 58.076,1207 6.969,1208 95,1209 120.3,1210 16,1211 12.073,1212 3.807,1213 3.087,1214 50,1215 134,1216 130,1217 0.17,1218 213.04,1219 368.29,1220 511.578,1221 11442,1223 19.606,1224 0.7,1225 0.597,1226 19.96,1227 16.722,1228 13.72,1229 0.457,1230 0.362,1231 9.706,1232 12.716,1233 9.422,1234 7.782,1235 14.22,1236 10.875,1237 11.543,1238 0.304,1239 0.211,1240 12.041,1241 8.028,1242 9.194,1243 0.2,1244 0.126,1245 9.751,1246 5.815,1247 7.322,1248 0.133,1249 0.076,1250 7.86,1251 4.177,1252 4.953,1253 0.092,1254 0.049,1255 5.424,1256 2.657,1257 0.28,1258 90.922,1259 0.221,1260 27.926,1261 0.432,1262 136,1263 393.659,1264 168.391,1265 399.451,1266 531.38,1267 374,1268 152,1269 366.744,1270 180.902,1271 375.055,1272 535.63,1273 352,1274 4.886}
{0 CHEMBL430124,1 1.524,2 12.923,3 2.651,4 7.029,5 105.435,6 7.124,7 0.222,8 4.025,9 4.138,10 3.569,11 3.579,12 5.088,13 3.511,14 4.582,15 4.752,16 3.855,17 3.963,18 5.669,19 3.845,20 4.881,21 5.114,22 3.865,23 4.053,24 5.847,25 3.908,26 4.862,27 5.114,28 3.687,29 4.009,30 5.757,31 3.841,32 4.868,33 5.119,34 3.703,35 3.96,36 5.83,37 3.812,38 4.846,39 5.097,40 3.699,41 3.937,42 5.799,43 3.787,44 4.817,45 5.071,46 3.739,47 3.905,48 5.847,49 3.731,50 4.684,51 4.938,52 3.568,53 3.817,54 5.624,55 3.654,56 0.039,57 0.711,58 12.503,59 5.681,60 13.874,61 7.125,62 0.254,63 1.182,64 25.654,65 9.758,66 46.217,67 12.398,68 0.409,69 1.417,70 35.514,71 11.787,72 66.424,73 15.54,74 0.274,75 1.37,76 33.368,77 11.984,78 59.284,79 16.065,80 0.413,81 1.337,82 33.576,83 11.193,84 71.95,85 15.275,86 0.355,87 1.291,88 31.691,89 11.019,90 72.875,91 14.79,92 0.508,93 1.26,94 33.941,95 11.076,96 94.537,97 14.407,98 0.431,99 1.137,100 30.776,101 10.044,102 60.205,103 13.006,104 24,105 34,106 0.258,107 0.589,108 0.81,109 0.884,110 0.893,111 0.893,112 3.302,113 1.134,114 -3.58,115 -3.56,116 -3.39,118 37.7,120 5,124 3,125 2,129 2,133 5,134 1,145 2,150 1,153 1,154 10,157 1,158 5,160 1,162 2,164 11,165 1,167 4,170 3,171 10,175 2,179 2,180 8,181 1,184 5,187 1,189 4,192 9,193 1,196 2,200 3,202 6,206 4,207 1,208 1,210 1,211 8,214 1,215 3,217 1,219 1,222 7,226 3,227 1,233 6,234 3,236 1252,237 17.38,238 17.38,239 17.38,240 17.38,241 17.38,242 16.137,243 19.056,244 10.869,245 17.717,246 13.354,247 13.354,248 13.354,249 13.354,250 13.354,251 11.439,252 19.005,253 5.231,254 13.885,255 4.204,256 2.247,257 0.941,258 0.505,259 0.453,260 0.453,261 3.969,264 1,265 1,266 1,267 684,268 4.123,270 88.011,271 100.079,277 2.314,278 30.686,279 1,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 56.5,289 336,290 4.141,291 4.297,292 6.471,293 3.986,294 3.027,295 3.458,296 3.412,297 10.007,298 2.899,299 3.931,300 3.789,301 5.485,302 3.609,303 2.622,304 3.277,305 2.114,306 7.394,307 2.589,308 3.55,309 3.49,310 4.988,311 3.197,312 2.235,313 2.71,314 1.943,315 5.713,316 2.123,317 3.469,318 2.995,319 4.761,320 3.141,321 2.165,322 2.611,323 0.765,324 5.184,325 2.109,326 3.063,327 2.764,328 4.659,329 2.82,330 1.816,331 2.148,332 0.736,333 5.134,334 1.811,335 2.847,336 2.435,337 4.138,338 2.733,339 1.763,340 1.908,341 0.079,342 3.848,343 1.699,344 2.783,345 2.323,346 3.687,347 2.407,348 1.412,349 1.793,351 3.129,352 1.403,353 2.5,354 1.812,355 3.584,356 2.281,357 1.363,358 1.5,360 3.018,361 1.233,362 2.433,363 1.524,364 3.247,365 2,366 1,367 1.408,369 2.136,370 1,371 2.138,372 1.156,373 3.184,374 1.82,375 0.914,376 0.936,378 1.968,379 0.805,380 1.953,381 1.131,382 3.1,383 1.628,384 0.644,385 0.854,387 1.474,388 0.627,389 1.39,390 1,391 2.623,392 1.196,393 0.257,394 0.274,395 0.559,396 0.235,397 1.071,398 0.56,399 2.448,400 0.829,401 -0.154,402 -0.175,403 -0.369,404 -0.149,405 0.979,406 0.541,407 2,408 0.646,409 -0.319,410 -0.366,411 -0.706,412 -0.296,413 0.558,414 0.137,415 1.962,416 0.244,417 -0.723,418 -0.778,419 -1.608,420 -0.665,421 12.567,422 0.483,423 0.527,424 0.02,425 25.25,426 0.971,427 10,428 0.385,429 15.25,430 0.587,431 26.498,432 1.019,433 30.033,434 0.567,435 17.012,436 0.654,437 4.452,438 0.171,439 8.106,440 0.312,441 0.106,443 0.231,447 0.785,448 1.23,449 0.848,450 1.044,451 0.719,452 1.048,453 0.588,454 1.326,455 1.212,456 1.324,457 0.499,458 1.217,459 0.991,460 1.021,461 1.026,462 1.037,463 0.951,464 1.046,465 0.751,466 1.056,467 0.967,468 1.046,469 0.74,470 1.058,471 0.961,472 0.982,473 0.914,474 0.947,475 0.946,476 0.987,477 1.066,478 0.947,479 0.836,480 0.858,481 1.041,482 0.965,483 1.011,484 0.928,485 0.95,486 0.903,487 1.002,488 0.936,489 0.904,490 0.878,491 1.134,492 0.975,493 0.948,494 0.897,495 4.5,496 0.118,497 2.222,498 1.479,499 0.881,500 0.476,501 0.471,502 0.24,503 0.197,504 0.215,505 8616,506 25588,507 1.974,508 50.9,510 15,513 2,514 2,515 8,517 1.687,518 1.857,519 3.626,520 0.251,521 1,522 1,525 80.759,526 1.524,527 3.481,528 4.787,529 5.223,530 5.275,531 5.275,532 3.109,533 4.239,534 4.665,535 3.848,536 1250.6,537 8.067,538 17109.4,540 1,541 1,542 303.58,543 1.335,544 4.634,545 0.167,546 0.005,547 0.065,548 0.048,549 0.031,550 0.017,551 0.017,552 0.01,553 0.008,554 0.009,555 0.377,556 0.33,557 0.88,558 1.862,559 131.831,560 -0.067,561 -0.021,562 0.037,563 0.067,564 -0.06,565 0.034,566 0.122,567 -0.16,568 -0.141,569 -0.178,570 0.122,571 -0.164,572 -0.088,574 -0.054,575 -0.055,576 -0.085,577 -0.063,578 -0.028,579 -0.079,580 -0.058,581 -0.084,582 -0.017,583 -0.06,584 -0.03,585 -0.026,586 -0.025,587 -0.036,588 -0.048,589 -0.021,590 -0.09,591 -0.008,592 0.013,593 0.022,594 -0.091,595 -0.007,596 0.004,597 0.026,598 0.065,599 0.07,600 -0.003,601 0.031,602 0.006,603 0.117,604 -0.04,605 0.063,606 -0.059,607 0.09,608 2.455,609 5.076,610 0.423,611 31.036,612 1,613 1.126,614 2.354,615 5.544,616 0.648,617 3.332,618 3.555,619 3.689,620 3.85,621 3.892,622 3.807,623 3.85,624 3.892,625 3.892,626 3.97,627 7.646,628 0.602,629 377.55,630 3.332,631 4.812,632 5.595,633 6.415,634 7.219,635 8.047,636 8.863,637 9.697,638 10.521,639 11.359,640 1.9,644 1,651 5,656 1,658 6,670 53,671 9,672 1,673 27,675 54,676 20,677 6,678 1,679 5,681 2,682 2,688 3,691 7,693 10,694 10,696 3,698 2,699 2,701 2,703 1,704 1,707 27,708 5,709 2,710 6,711 1,714 1,717 1,718 4,719 1,730 1,731 1,738 1,739 1,741 2,746 2,748 2,749 1,750 1,756 26,759 2,760 8,763 1,764 2,765 1,773 7.5,774 1,775 1,776 2,779 14,780 8.85,781 5.972,782 3.236,785 1.566,786 1.236,787 0.88,788 9.062,789 8.186,790 3.526,791 3.902,792 4.201,793 4.539,794 4.863,795 4.699,796 4.859,797 5.051,798 5.191,799 5.435,800 0.889,801 31,802 9.691,803 4.011,804 7.942,805 18.556,806 14.997,807 2.442,808 63.5,811 1,812 294.278,813 123.931,814 3.124,816 135.657,818 32.22,819 91.712,820 429.934,821 3.124,823 19.702,824 109.017,825 98.588,826 3.186,828 326.497,830 294.278,831 94.836,832 135.657,833 32.22,835 200.109,836 187.142,837 42.683,839 19.702,840 56.181,841 18.952,842 32.22,843 294.278,844 138.781,845 123.931,848 294.278,849 57.597,850 69.458,852 135.657,853 294.278,854 138.781,855 123.931,857 0.557,858 0.296,859 0.152,860 0.077,861 12,862 6,863 0.204,864 11,866 1,867 3.969,868 186.861,870 11,871 115.457,872 1,874 20.852,875 11.299,876 7.769,878 138.781,879 9.847,884 1.086,886 85.367,887 556.99,888 33,890 22.544,891 3.754,893 -0.626,895 52.974,896 59.654,897 0.266,898 0.608,899 0.836,900 0.912,901 0.921,902 0.921,903 4.723,904 1.363,905 5.525,906 3.129,907 4.234,908 4.585,909 3.673,910 6.209,911 4.167,912 5.836,913 1,914 7.004,915 3.018,916 3.611,917 4.034,918 2.619,919 6.899,920 3.521,921 7.064,922 0.914,923 8.586,924 2.136,925 5.694,926 6.422,927 5.718,928 9.961,929 5.564,930 8.321,931 0.644,932 10.233,933 1.968,934 5.916,935 6.637,936 4.712,937 11.598,938 5.747,939 9.61,940 0.257,941 11.928,942 1.474,943 7.439,944 8.533,945 8.039,946 14.156,947 7.241,948 10.921,949 -0.154,950 13.657,951 0.559,952 8.09,953 9.11,954 7.032,955 16.19,956 7.842,957 12.249,958 -0.319,959 15.414,960 -0.369,961 9.366,962 10.786,963 10.435,964 18.579,965 9.091,966 3.027,967 -0.723,968 17.193,969 -0.706,970 10.24,971 11.56,972 9.538,973 20.774,974 9.911,975 2.622,976 10.007,977 18.988,978 -1.608,979 11.406,980 13.114,981 12.855,982 23.104,983 11.047,984 2.235,985 7.394,986 20.798,987 3.458,988 12.393,989 14.01,990 12.109,991 25.363,992 11.98,993 2.165,994 5.713,995 22.618,996 3.277,997 13.514,998 15.485,999 15.283,1000 27.674,1001 13.066,1002 1.816,1003 5.184,1004 24.447,1005 2.71,1006 14.557,1007 16.464,1008 14.688,1009 29.958,1010 14.057,1011 1.763,1012 5.134,1013 26.284,1014 2.611,1015 15.661,1016 17.882,1017 17.715,1018 32.264,1019 15.122,1020 1.412,1021 3.848,1022 28.126,1023 2.148,1024 16.732,1025 18.92,1026 17.256,1027 34.558,1028 16.143,1029 8698,1030 15083,1031 17.682,1032 34.37,1033 39.066,1034 42.3,1035 39.413,1036 38.437,1037 38.436,1038 45.753,1039 18.097,1040 99.127,1041 37.066,1042 5.118,1043 6.297,1044 6.295,1045 5.059,1046 5.027,1047 6.458,1048 6.739,1049 16.517,1050 4.899,1051 13.674,1052 1.447,1053 1.567,1054 1.46,1055 1.424,1056 1.424,1057 1.695,1058 0.67,1059 3.671,1060 1.373,1061 3.964,1062 4.005,1063 3.921,1064 3.88,1065 7.474,1066 3.874,1067 3.882,1068 3.922,1069 3.858,1070 3.761,1071 7.427,1072 3.763,1073 3.662,1074 3.707,1075 3.793,1076 3.595,1077 6.451,1078 3.533,1079 3.555,1080 3.59,1081 3.458,1082 3.415,1083 6.351,1084 3.41,1085 3.48,1086 3.504,1087 3.354,1088 3.301,1089 4.748,1090 3.289,1091 3.131,1092 3.187,1093 3.114,1094 2.993,1095 4.392,1096 2.983,1097 3.111,1098 3.183,1099 2.997,1100 2.915,1101 4.099,1102 2.897,1103 2.854,1104 2.925,1105 2.704,1106 2.735,1107 3.906,1108 2.715,1109 0.153,1110 0.159,1111 0.24,1112 0.148,1113 0.112,1114 4.141,1115 0.128,1116 4.297,1117 0.126,1118 6.471,1119 0.371,1120 3.986,1121 0.107,1122 3.027,1123 3.458,1124 3.412,1125 10.007,1126 2.899,1127 1.926,1128 1.897,1129 2.059,1130 2.014,1131 1.316,1132 2.031,1133 1.752,1134 1.701,1135 1.953,1136 1.916,1137 1.245,1138 1.934,1139 1.669,1140 1.624,1141 1.88,1142 1.813,1143 1.171,1144 1.841,1145 1.503,1146 1.463,1147 1.725,1148 1.701,1149 0.943,1150 1.71,1151 1.435,1152 1.4,1153 1.597,1154 1.65,1155 0.881,1156 1.651,1157 1.308,1158 1.264,1159 1.518,1160 1.559,1161 0.742,1162 1.549,1163 1.066,1164 0.999,1165 1.378,1166 1.275,1167 0.597,1168 1.319,1169 0.891,1170 0.833,1171 1.182,1172 1.128,1173 0.343,1174 1.154,1175 4.007,1177 5.252,1178 2.398,1179 6.661,1180 4.727,1181 8.148,1182 6.783,1183 9.681,1189 18.799,1190 5.301,1193 1.41,1194 -0.498,1195 1.883,1199 31.916,1200 80.759,1201 184.505,1202 253.705,1203 276.825,1204 279.58,1205 279.58,1206 75.24,1207 6.62,1208 77.84,1209 103.14,1210 11,1211 11.929,1212 3.322,1213 2.807,1214 55.262,1215 115,1216 123,1217 0.223,1218 204.176,1219 367.77,1220 489.95,1221 6752,1223 18.778,1224 0.722,1225 0.605,1226 19.131,1227 15.736,1228 12.559,1229 0.465,1230 0.378,1231 9.067,1232 11.685,1233 8.776,1234 7.236,1235 13.059,1236 10.208,1237 10.786,1238 0.317,1239 0.223,1240 11.284,1241 7.594,1242 7.889,1243 0.202,1244 0.139,1245 8.53,1246 5.409,1247 6.143,1248 0.134,1249 0.083,1250 6.596,1251 3.799,1252 4.425,1253 0.092,1254 0.05,1255 4.734,1256 2.4,1257 0.364,1258 83.198,1259 0.238,1260 26.077,1261 0.575,1262 122,1263 370.276,1264 152.436,1265 370.884,1266 474.29,1267 344,1268 134,1269 300.116,1270 159.452,1271 309.958,1272 444.32,1273 291,1274 4.886}
{0 CHEMBL433752,1 1.47,2 14.552,3 3.598,4 12.942,5 112.585,6 7.327,7 0.2,8 4.129,9 4.228,10 3.641,11 3.619,12 5.227,13 3.59,14 4.684,15 4.832,16 3.968,17 3.992,18 5.816,19 3.927,20 5.003,21 5.22,22 3.958,23 4.101,24 6.049,25 3.987,26 4.973,27 5.213,28 3.854,29 4.039,30 5.925,31 3.909,32 4.931,33 5.176,34 3.794,35 4.009,36 5.887,37 3.879,38 4.949,39 5.186,40 3.812,41 4.005,42 5.923,43 3.882,44 4.925,45 5.162,46 3.826,47 3.943,48 6.021,49 3.824,50 4.85,51 5.097,52 3.652,53 3.851,54 5.836,55 3.726,56 0.109,57 0.715,58 12.831,59 6.064,60 23.168,61 7.462,62 0.359,63 1.134,64 24.484,65 9.917,66 63.933,67 12.626,68 0.821,69 1.385,70 38.751,71 12.645,72 105.352,73 16.786,74 0.668,75 1.347,76 37.717,77 12.236,78 87.217,79 16.608,80 0.605,81 1.312,82 34.895,83 11.851,84 82.37,85 16.261,86 0.68,87 1.304,88 36.637,89 11.857,90 88.39,91 16.061,92 0.744,93 1.245,94 36.435,95 11.326,96 115.778,97 15.343,98 0.753,99 1.13,100 34.413,101 10.346,102 97.805,103 13.994,104 34,105 38,106 0.244,107 0.593,108 0.814,109 0.921,110 0.933,111 0.933,112 3.406,113 1.024,114 -3.6,115 -3.57,116 -3.4,118 37.9,120 5,121 1,124 2,125 3,129 4,133 4,135 2,145 1,150 1,153 1,154 10,155 1,158 5,160 1,162 3,164 12,165 1,167 5,168 2,170 3,171 9,172 1,175 5,179 3,180 7,181 1,184 2,187 1,189 6,192 7,193 1,195 1,196 3,200 4,202 7,203 1,206 3,209 1,210 5,211 6,212 1,215 5,217 1,219 3,222 6,223 1,226 4,230 3,233 5,236 1732,237 19.242,238 19.242,239 19.242,240 19.242,241 19.242,242 17.845,243 20.175,244 11.941,245 19.693,246 14.82,247 14.82,248 14.82,249 14.82,250 14.82,251 12.724,252 18.953,253 5.745,254 15.642,255 4.388,256 2.286,257 0.957,258 0.31,259 0.241,260 0.241,261 4.074,262 1,265 1,266 1,267 857,268 4.416,270 100.938,271 115.297,277 2.709,278 40.559,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 64.333,289 422,290 4.056,291 3.597,292 6.471,293 3.986,294 3.027,295 3.648,296 2.341,297 10.007,298 2.9,299 4.04,300 3.351,301 5.512,302 3.592,303 2.666,304 3.093,305 1.151,306 7.462,307 2.448,308 3.559,309 3.075,310 5.081,311 3.29,312 2.349,313 2.722,314 0.86,315 6.148,316 2.224,317 3.505,318 2.859,319 4.89,320 3.241,321 2.236,322 2.617,323 0.765,324 5.363,325 2.202,326 3.283,327 2.538,328 4.716,329 2.85,330 1.964,331 2.484,333 5.184,334 1.805,335 3.179,336 2.313,337 4.659,338 2.809,339 1.826,340 2.244,342 5.155,343 1.711,344 2.883,345 2.176,346 4.14,347 2.737,348 1.803,349 1.886,351 3.879,352 1.613,353 2.669,354 1.805,355 3.761,356 2.435,357 1.462,358 1.743,360 3.309,361 1.415,362 2.571,363 1.557,364 3.489,365 2.179,366 1.209,367 1.556,369 2.627,370 1.147,371 2.181,372 1.428,373 3.312,374 2.037,375 1.075,376 1.096,378 2.337,379 1.024,380 2.102,381 1.17,382 3.279,383 1.72,384 0.801,385 0.982,387 1.858,388 0.727,389 1.754,390 1.033,391 2.896,392 1.528,393 0.564,394 0.616,395 1.211,396 0.536,397 1.582,398 0.805,399 2.745,400 1.268,401 0.366,402 0.425,403 0.812,404 0.328,405 1.127,406 0.579,407 2.296,408 0.919,409 -0.049,410 -0.055,411 -0.107,412 -0.047,413 0.93,414 0.268,415 2.142,416 0.518,417 -0.394,418 -0.453,419 -0.873,420 -0.254,421 13.714,422 0.473,423 0.634,424 0.022,425 27.25,426 0.94,427 10,428 0.345,429 17.25,430 0.595,431 30.076,432 1.037,433 34.286,434 0.591,435 20.49,436 0.707,437 5.388,438 0.186,439 8.564,440 0.295,441 0.149,443 0.255,447 0.875,448 1.235,449 0.754,450 1.119,451 0.875,452 1.043,453 0.898,454 1.319,455 0.871,456 1.209,457 0.656,458 1.178,459 1.011,460 1.02,461 0.995,462 0.999,463 0.957,464 1.039,465 0.908,466 0.997,467 0.867,468 0.978,469 0.794,470 0.997,471 0.786,472 1.002,473 0.79,474 0.959,475 0.716,476 0.974,477 0.946,478 0.996,479 0.909,480 0.978,481 0.913,482 0.991,483 0.947,484 1.01,485 0.868,486 0.987,487 0.986,488 0.988,489 1.116,490 0.821,491 0.944,492 0.822,493 1.055,494 0.877,495 5.5,496 0.207,497 2.667,498 1.542,499 1.072,500 0.615,501 0.494,502 0.309,503 0.187,504 0.178,505 12065,506 39195,507 1.957,508 50,509 8,510 15,513 3,514 2,516 1,517 1.714,518 1.832,519 3.786,520 0.891,522 1,525 85.264,526 1.47,527 3.572,528 4.901,529 5.548,530 5.617,531 5.617,532 3.25,533 4.72,534 4.822,535 4.035,536 1638.26,537 8.376,538 24985.9,540 1,541 1,542 339.763,543 1.384,544 4.785,545 0.183,546 0.007,547 0.07,548 0.044,549 0.035,550 0.02,551 0.016,552 0.011,553 0.007,554 0.007,555 0.4,556 0.33,557 0.88,558 1.945,559 153.765,560 -0.088,561 0.021,562 -0.006,563 0.029,564 -0.113,565 0.031,566 -0.016,567 -0.179,568 -0.06,569 -0.142,570 0.071,571 -0.151,572 -0.023,573 -0.026,574 -0.066,575 -0.022,576 -0.051,577 -0.06,578 -0.037,579 -0.02,580 0.01,581 -0.018,582 -0.027,583 -0.013,584 0.018,585 -0.017,586 0.032,587 -0.003,588 0.031,589 0.016,590 -0.031,591 -0.022,592 -0.022,593 -0.022,594 -0.059,595 -0.013,596 0.02,597 -0.052,598 0.034,599 -0.043,600 0.027,601 -0.021,602 -0.082,603 0.113,604 -0.014,605 0.105,606 -0.094,607 0.077,608 2.462,609 4.163,610 0.379,611 39.677,612 1.009,613 1.128,614 2.369,615 5.613,616 0.638,617 3.434,618 3.664,619 3.784,620 3.932,621 3.989,622 3.932,623 3.932,624 3.932,625 3.951,626 3.989,627 8.655,628 0.604,629 424.96,630 3.434,631 4.92,632 5.7,633 6.521,634 7.322,635 8.149,636 8.962,637 9.794,638 10.615,639 11.45,651 4,656 2,658 6,668 1,669 1,670 58,671 9,672 1,673 30,675 59,676 22,677 6,678 2,679 4,681 2,682 2,683 1,688 2,689 1,691 8,693 11,694 11,695 1,696 3,698 1,699 4,701 1,704 1,707 29,708 6,709 3,710 7,711 1,717 1,718 6,719 2,723 1,730 1,731 1,739 1,741 4,746 3,747 1,748 2,753 1,756 29,759 3,760 7,762 2,764 4,772 1,773 10.3,774 2,775 1,776 1,777 1,778 1,779 15.833,780 9.493,781 6.639,782 3.455,785 1.835,786 1.268,787 0.849,788 10.569,789 8.678,790 3.611,791 3.998,792 4.294,793 4.631,794 4.951,795 4.872,796 4.87,797 5.001,798 5.192,799 5.379,800 0.9,801 35,802 10.789,803 4.486,804 8.015,805 20.325,806 16.272,807 2.515,808 72.944,811 1,812 306.049,813 107.321,815 39.149,816 175.195,819 107.321,820 520.392,823 21.857,824 161.177,825 79.738,826 19.744,828 306.049,829 39.149,830 306.049,831 107.321,832 175.195,833 39.149,835 294.278,836 90.599,837 96.367,839 21.857,840 47.559,841 77.054,843 306.049,844 175.195,845 146.47,848 306.049,849 31.511,850 75.81,852 214.343,853 306.049,854 175.195,855 146.47,857 0.56,858 0.296,859 0.148,860 0.076,861 13,862 7,863 0.203,864 12,866 1,867 4.26,868 214.635,870 11,871 140.881,874 23.744,875 12.908,876 9.215,878 175.195,879 6.977,884 1.159,886 128.05,887 627.713,888 36,890 10.457,891 7.276,893 -0.796,895 58.542,896 65.428,897 0.251,898 0.61,899 0.837,900 0.947,901 0.959,902 0.959,903 4.816,904 1.462,905 5.638,906 3.879,907 4.344,908 4.682,909 2.699,910 6.319,911 4.235,912 5.936,913 1.209,914 7.119,915 3.309,916 3.761,917 4.159,918 2.243,919 7.002,920 3.537,921 7.166,922 1.075,923 8.699,924 2.627,925 5.808,926 6.533,927 3.76,928 10.042,929 5.605,930 8.422,931 0.801,932 10.341,933 2.337,934 6.043,935 6.771,936 4.112,937 11.651,938 5.726,939 9.708,940 0.564,941 12.027,942 1.858,943 7.544,944 8.658,945 5.233,946 14.201,947 7.246,948 11.012,949 0.366,950 13.747,951 1.211,952 8.192,953 9.285,954 5.889,955 16.216,956 7.796,957 12.333,958 -0.049,959 15.493,960 0.812,961 9.455,962 10.947,963 6.856,964 18.601,965 9.062,966 3.027,967 -0.394,968 17.26,969 -0.107,970 10.322,971 11.803,972 7.625,973 20.787,974 9.848,975 2.666,976 10.007,977 19.046,978 -0.873,979 11.479,980 13.339,981 8.527,982 23.115,983 10.995,984 2.349,985 7.462,986 20.846,987 3.648,988 12.459,989 14.341,990 9.342,991 25.37,992 11.909,993 2.236,994 6.148,995 22.659,996 3.093,997 13.573,998 15.799,999 10.216,1000 27.68,1001 13.001,1002 1.964,1003 5.363,1004 24.481,1005 2.722,1006 14.61,1007 16.895,1008 11.051,1009 29.962,1010 13.984,1011 1.826,1012 5.184,1013 26.312,1014 2.617,1015 15.708,1016 18.301,1017 11.912,1018 32.266,1019 15.053,1020 1.803,1021 5.155,1022 28.149,1023 2.484,1024 16.774,1025 19.461,1026 12.755,1027 34.56,1028 16.072,1029 12164,1030 22033,1031 19.474,1032 37.006,1033 43.528,1034 44.081,1035 44.037,1036 42.903,1037 42.695,1038 50.224,1039 10.233,1040 110.705,1041 40.161,1042 5.004,1043 5.597,1044 6.334,1045 5.048,1046 5.027,1047 6.648,1048 3.925,1049 16.516,1050 4.9,1051 16.662,1052 1.451,1053 1.469,1054 1.468,1055 1.43,1056 1.423,1057 1.674,1058 0.341,1059 3.69,1060 1.339,1061 3.947,1062 3.976,1063 3.996,1064 3.846,1065 7.474,1066 3.843,1067 3.88,1068 3.901,1069 3.824,1070 3.785,1071 6.453,1072 3.782,1073 3.752,1074 3.794,1075 3.637,1076 3.632,1077 6.447,1078 3.625,1079 3.615,1080 3.653,1081 3.523,1082 3.464,1083 6.351,1084 3.463,1085 3.514,1086 3.554,1087 3.399,1088 3.322,1089 4.978,1090 3.328,1091 3.237,1092 3.278,1093 3.308,1094 3.025,1095 4.639,1096 3.033,1097 3.168,1098 3.214,1099 3.088,1100 2.97,1101 4.543,1102 2.974,1103 2.905,1104 2.968,1105 2.994,1106 2.799,1107 4.396,1108 2.772,1109 0.135,1110 0.12,1111 0.216,1112 0.133,1113 0.101,1114 4.056,1115 0.122,1116 3.597,1117 0.078,1118 6.471,1119 0.334,1120 3.986,1121 0.097,1122 3.027,1123 3.648,1124 2.341,1125 10.007,1126 2.9,1127 1.87,1128 1.852,1129 2.03,1130 1.976,1131 1.394,1132 1.99,1133 1.824,1134 1.78,1135 1.963,1136 1.952,1137 1.175,1138 1.967,1139 1.717,1140 1.678,1141 1.906,1142 1.865,1143 1.077,1144 1.879,1145 1.598,1146 1.555,1147 1.813,1148 1.788,1149 1.024,1150 1.795,1151 1.433,1152 1.387,1153 1.682,1154 1.663,1155 0.976,1156 1.665,1157 1.305,1158 1.267,1159 1.557,1160 1.578,1161 0.795,1162 1.568,1163 1.144,1164 1.096,1165 1.417,1166 1.395,1167 0.589,1168 1.396,1169 0.921,1170 0.876,1171 1.223,1172 1.201,1173 0.362,1174 1.206,1175 4.111,1177 5.361,1178 2.398,1179 6.77,1180 4.727,1181 8.257,1182 6.783,1183 9.791,1186 5.902,1189 28.874,1190 3.539,1192 11.157,1194 -1.602,1199 35.018,1200 85.264,1201 207.194,1202 284.253,1203 321.763,1204 325.763,1205 325.763,1206 95.414,1207 6.843,1208 96.22,1209 96.22,1210 11,1211 12.023,1212 3.322,1213 2.807,1214 65.948,1215 146,1216 157,1217 0.208,1218 221.761,1219 405.65,1220 532.857,1221 9438,1222 1.7,1223 21.062,1224 0.726,1225 0.589,1226 21.562,1227 17.078,1228 13.952,1229 0.465,1230 0.341,1231 9.763,1232 13.103,1233 9.581,1234 7.88,1235 14.241,1236 10.244,1237 12.115,1238 0.319,1239 0.198,1240 12.523,1241 7.521,1242 8.791,1243 0.204,1244 0.115,1245 9.053,1246 4.95,1247 6.696,1248 0.134,1249 0.067,1250 6.965,1251 3.357,1252 4.856,1253 0.092,1254 0.04,1255 5.033,1256 2.094,1257 0.344,1258 91.016,1259 0.227,1260 28.792,1261 0.527,1262 136,1263 453.859,1264 167.241,1265 448.523,1266 567.46,1267 416,1268 149,1269 352.075,1270 172.933,1271 359.212,1272 517.53,1273 338,1274 6.604}
{0 CHEMBL434002,1 1.381,2 12.926,3 3.325,4 11.054,5 106.452,6 6.44,7 0.214,8 4.104,9 4.229,10 3.511,11 3.613,12 5.138,13 3.56,14 4.679,15 4.868,16 3.85,17 4.009,18 5.736,19 3.918,20 5.024,21 5.265,22 3.799,23 4.151,24 5.967,25 4.012,26 5.05,27 5.322,28 3.735,29 4.125,30 5.931,31 3.963,32 5.001,33 5.258,34 3.77,35 4.094,36 5.932,37 3.949,38 5.03,39 5.295,40 3.746,41 4.093,42 5.935,43 3.947,44 5.006,45 5.272,46 3.654,47 4.044,48 5.974,49 3.876,50 4.925,51 5.206,52 3.572,53 3.941,54 5.842,55 3.78,56 0.055,57 0.765,58 13.67,59 5.95,60 13.361,61 8.05,62 0.258,63 1.252,64 24.737,65 9.684,66 46.134,67 13.741,68 0.412,69 1.553,70 35.594,71 12.411,72 73.437,73 17.842,74 0.374,75 1.538,76 36.205,77 12.895,78 74.381,79 18.708,80 0.399,81 1.485,82 34.654,83 12.186,84 71.582,85 17.627,86 0.419,87 1.514,88 35.869,89 12.044,90 73.71,91 17.635,92 0.477,93 1.448,94 34.954,95 12.024,96 92.45,97 17.514,98 0.53,99 1.306,100 32.472,101 10.767,102 80.789,103 15.757,104 33,105 37,106 0.229,107 0.538,108 0.75,109 0.865,110 0.885,111 0.885,112 3.339,113 1.054,114 -4.03,115 -3.98,116 -3.77,118 37.9,119 1,120 8,124 1,125 1,126 1,129 2,133 5,134 1,145 2,150 1,153 1,154 13,155 1,157 1,158 6,160 1,162 4,164 15,165 1,167 4,170 3,171 13,172 1,175 4,179 3,180 11,181 1,184 6,187 1,189 4,192 12,193 1,196 4,200 3,202 11,206 5,207 1,208 1,210 1,211 10,214 1,215 4,217 1,219 1,222 11,226 3,227 1,230 1,233 9,234 3,236 1347,237 17.673,238 17.673,239 17.673,240 17.673,241 17.673,242 16.455,243 19.538,244 10.851,245 17.805,246 13.843,247 13.843,248 13.843,249 13.843,250 13.843,251 11.963,252 21.418,253 5.214,254 14.066,255 4.477,256 2.616,257 1.342,258 0.647,259 0.53,260 0.53,261 4.001,265 1,266 1,267 709,268 4.472,270 91.975,271 104.508,277 2.23,278 31.97,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 58.5,289 349,290 4.303,291 3.792,292 6.745,293 4.187,294 3.224,295 3.542,296 2.341,297 11.055,298 3.096,299 4.115,300 3.617,301 6.467,302 3.97,303 3.011,304 3.299,305 1.943,306 9.995,307 2.883,308 3.792,309 3.596,310 5.275,311 3.394,312 2.399,313 3.135,314 0.765,315 6.738,316 2.385,317 3.55,318 2.774,319 4.944,320 3.241,321 2.235,322 2.71,323 0.736,324 5.385,325 2.223,326 3.172,327 2.58,328 4.659,329 2.878,330 1.864,331 2.225,332 0.079,333 5.184,334 1.879,335 2.872,336 1.913,337 4.144,338 2.764,339 1.763,340 2.016,342 3.852,343 1.759,344 2.812,345 1.642,346 3.723,347 2.436,348 1.437,349 1.809,351 3.131,352 1.435,353 2.5,354 1.53,355 3.683,356 2.35,357 1.367,358 1.5,360 3.065,361 1.338,362 2.467,363 1.17,364 3.431,365 2,366 1,367 1.42,369 2.136,370 1,371 2.232,372 1.155,373 3.247,374 1.905,375 0.914,376 0.98,378 1.973,379 0.902,380 1.954,381 1,382 3.16,383 1.711,384 0.706,385 0.922,387 1.665,388 0.706,389 1.392,390 0.674,391 2.908,392 1.257,393 0.262,394 0.279,395 0.572,396 0.259,397 1.111,398 0.544,399 2.615,400 0.887,401 -0.11,402 -0.126,403 -0.288,404 -0.109,405 1.015,406 0.252,407 2.39,408 0.741,409 -0.273,410 -0.309,411 -0.624,412 -0.273,413 0.558,414 0.146,415 2,416 0.306,417 -0.719,418 -0.768,419 -1.613,420 -0.716,421 12.733,422 0.472,423 0.714,424 0.026,425 25.75,426 0.954,427 10,428 0.37,429 15.75,430 0.583,431 28.813,432 1.067,433 31.667,434 0.546,435 18.621,436 0.69,437 4.703,438 0.174,439 8.169,440 0.303,441 0.144,442 0.039,443 0.188,447 0.781,448 1.33,449 0.965,450 1.217,451 0.729,452 1.134,453 0.527,454 1.31,455 0.96,456 1.245,457 0.455,458 1.176,459 1.108,460 1.05,461 1.145,462 1.058,463 1.033,464 1.095,465 0.853,466 0.97,467 0.953,468 0.975,469 0.86,470 0.979,471 0.905,472 1.041,473 0.984,474 1.023,475 0.893,476 1.018,477 1.039,478 0.96,479 1.028,480 0.959,481 0.948,482 0.979,483 0.907,484 1.058,485 1.03,486 1.047,487 0.885,488 1.058,489 1.018,490 0.806,491 0.95,492 0.804,493 1.135,494 0.86,495 6,496 0.135,497 2.667,498 1.854,499 1.201,500 0.688,501 0.648,502 0.272,503 0.221,504 0.235,505 9191,506 24261,507 1.946,508 53.4,509 6,510 10,513 2,514 4,515 9,517 1.698,518 1.81,519 3.607,520 0.194,521 1,522 1,525 80.075,526 1.381,527 3.242,528 4.516,529 5.211,530 5.328,531 5.328,532 3.102,533 4.385,534 4.719,535 3.84,536 1347.9,537 8.182,538 18653.9,540 1,541 1,542 339.763,543 1.525,544 4.669,545 0.214,546 0.006,547 0.072,548 0.056,549 0.039,550 0.021,551 0.021,552 0.01,553 0.009,554 0.009,555 0.457,556 0.33,557 0.88,558 1.859,559 137.831,560 -0.057,561 -0.043,562 0.005,563 0.024,564 -0.065,565 0.021,566 0.168,567 -0.13,568 -0.001,569 -0.124,570 0.159,571 -0.096,572 -0.14,573 -0.015,574 -0.159,575 -0.057,576 -0.115,577 -0.102,578 -0.044,579 0.001,580 0.001,581 0.007,582 -0.04,583 0.011,584 -0.016,585 -0.046,586 -0.014,587 -0.033,588 -0.036,589 -0.027,590 -0.095,591 0.035,592 -0.048,593 0.002,594 -0.078,595 -0.009,596 0.012,597 -0.094,598 -0.06,599 -0.077,600 0.018,601 -0.081,602 -0.017,603 0.133,604 0.034,605 0.131,606 -0.09,607 0.092,608 2.419,609 5.161,610 0.407,611 31.794,612 0.994,613 1.13,614 2.796,615 7.819,616 0.625,617 3.367,618 3.638,619 3.738,620 3.912,621 3.97,622 3.912,623 3.97,624 4.007,625 3.932,626 4.007,627 7.599,628 0.582,629 373.54,630 3.367,631 4.875,632 5.659,633 6.506,634 7.313,635 8.166,636 8.985,637 9.843,638 10.671,639 11.532,640 1.7,644 1,651 5,656 1,658 6,670 58,671 9,672 1,673 28,675 59,676 22,677 6,678 1,679 5,681 2,682 2,685 1,688 3,691 9,693 10,694 12,695 1,696 3,698 2,699 2,701 2,704 1,707 31,708 5,709 2,710 5,714 1,717 1,718 4,720 1,730 1,731 1,738 1,739 1,741 2,746 2,748 2,752 1,756 27,759 2,760 9,764 1,765 1,766 1,773 6.9,774 1,775 1,776 2,779 14.917,780 10.1,781 6.056,782 3.733,785 1.537,786 1.23,787 0.869,788 8.366,789 8.217,790 3.555,791 3.961,792 4.245,793 4.591,794 4.927,795 4.809,796 5.004,797 5.2,798 5.213,799 5.453,800 0.889,801 33,802 10.088,803 4.212,804 7.91,805 19.369,806 15.812,807 2.41,808 65.083,810 1,811 1,812 341.362,813 106.341,814 3.124,816 135.657,819 106.341,820 477.018,821 3.124,822 8.825,823 25.506,824 109.017,825 98.588,826 3.186,828 341.362,830 341.362,831 109.465,832 135.657,835 235.422,836 198.913,837 42.683,839 34.331,840 56.181,841 18.952,843 341.362,844 138.781,845 106.341,848 341.362,849 31.182,850 78.283,852 135.657,853 341.362,854 138.781,855 106.341,857 0.569,858 0.294,859 0.148,860 0.076,861 14,862 7,863 0.186,864 11,866 1,867 3.971,868 201.251,870 11,871 124.382,874 21.494,875 10.509,876 7.758,878 138.781,879 9.875,884 1.077,886 85.367,887 586.484,888 34,890 22.676,891 3.793,893 -0.588,895 57.665,896 65.564,897 0.236,898 0.553,899 0.771,900 0.89,901 0.909,902 0.909,903 4.783,904 1.367,905 5.652,906 3.131,907 4.317,908 4.644,909 2.888,910 6.415,911 4.281,912 5.938,913 1,914 7.188,915 3.065,916 4.007,917 4.311,918 2.619,919 7.545,920 3.9,921 7.21,922 0.914,923 8.84,924 2.136,925 5.916,926 6.541,927 4.048,928 10.475,929 5.816,930 8.512,931 0.706,932 10.566,933 1.973,934 6.431,935 6.94,936 4.42,937 12.438,938 6.244,939 9.848,940 0.262,941 12.342,942 1.665,943 7.854,944 8.714,945 5.497,946 14.971,947 7.665,948 11.205,949 -0.11,950 14.15,951 0.572,952 8.731,953 9.437,954 6.119,955 17.209,956 8.46,957 12.579,958 -0.273,959 15.982,960 -0.288,961 9.976,962 11.017,963 7.058,964 19.632,965 9.688,966 3.224,967 -0.719,968 17.83,969 -0.624,970 11.009,971 11.909,972 7.792,973 21.962,974 10.654,975 3.011,976 11.055,977 19.69,978 -1.613,979 12.19,980 13.387,981 8.673,982 24.354,983 11.805,984 2.399,985 9.995,986 21.559,987 3.542,988 13.291,989 14.38,990 9.462,991 26.716,992 12.849,993 2.235,994 6.738,995 23.434,996 3.299,997 14.45,998 15.793,999 10.319,1000 29.101,1001 13.972,1002 1.864,1003 5.385,1004 25.314,1005 3.135,1006 15.58,1007 16.854,1008 11.135,1009 31.476,1010 15.053,1011 1.763,1012 5.184,1013 27.197,1014 2.71,1015 16.734,1016 18.224,1017 11.983,1018 33.86,1019 16.167,1020 1.437,1021 3.852,1022 29.083,1023 2.225,1024 17.877,1025 19.333,1026 12.814,1027 36.242,1028 17.264,1029 9314,1030 15204,1031 17.97,1032 36.245,1033 41.179,1034 41.644,1035 41.342,1036 40.443,1037 40.369,1038 47.673,1039 11.727,1040 109.502,1041 39.731,1042 5.28,1043 5.792,1044 6.569,1045 5.196,1046 5.224,1047 6.542,1048 3.925,1049 17.637,1050 5.096,1051 15.404,1052 1.471,1053 1.487,1054 1.476,1055 1.444,1056 1.442,1057 1.703,1058 0.419,1059 3.911,1060 1.419,1061 3.977,1062 4.017,1063 3.894,1064 3.892,1065 7.474,1066 3.886,1067 3.885,1068 3.925,1069 3.802,1070 3.764,1071 7.427,1072 3.766,1073 3.746,1074 3.798,1075 3.612,1076 3.615,1077 6.449,1078 3.603,1079 3.626,1080 3.666,1081 3.522,1082 3.486,1083 6.351,1084 3.487,1085 3.496,1086 3.543,1087 3.359,1088 3.314,1089 4.749,1090 3.313,1091 3.172,1092 3.228,1093 3.026,1094 3.015,1095 4.402,1096 3.006,1097 3.159,1098 3.215,1099 2.994,1100 2.927,1101 4.139,1102 2.935,1103 2.963,1104 3.053,1105 2.767,1106 2.802,1107 3.983,1108 2.78,1109 0.154,1110 0.135,1111 0.241,1112 0.15,1113 0.115,1114 4.303,1115 0.126,1116 3.792,1117 0.084,1118 6.745,1119 0.395,1120 4.187,1121 0.111,1122 3.224,1123 3.542,1124 2.341,1125 11.055,1126 3.096,1127 1.934,1128 1.905,1129 2.067,1130 2.024,1131 1.377,1132 2.04,1133 1.789,1134 1.734,1135 2.021,1136 1.956,1137 1.271,1138 1.979,1139 1.724,1140 1.681,1141 1.913,1142 1.865,1143 1.183,1144 1.882,1145 1.555,1146 1.505,1147 1.788,1148 1.775,1149 1.086,1150 1.776,1151 1.523,1152 1.468,1153 1.775,1154 1.707,1155 0.948,1156 1.73,1157 1.34,1158 1.293,1159 1.57,1160 1.585,1161 0.789,1162 1.576,1163 1.088,1164 1.028,1165 1.401,1166 1.35,1167 0.6,1168 1.361,1169 1.003,1170 0.924,1171 1.359,1172 1.222,1173 0.502,1174 1.276,1175 4.043,1177 5.323,1178 2.398,1179 6.765,1180 4.727,1181 8.283,1182 6.783,1183 9.846,1185 1.792,1189 19.309,1190 6.163,1194 0.041,1195 1.895,1196 -0.949,1199 33.783,1200 80.075,1201 188.03,1202 261.914,1203 302.253,1204 309.008,1205 309.008,1206 86.083,1207 6.68,1208 77.84,1209 77.84,1210 11,1211 12.09,1212 3.322,1213 2.807,1214 58.65,1215 119,1216 132,1217 0.231,1218 212.23,1219 383.86,1220 509.601,1221 7101,1223 19.7,1224 0.73,1225 0.598,1226 19.7,1227 16.141,1228 12.872,1229 0.46,1230 0.351,1231 9.757,1232 12.492,1233 9.507,1234 7.904,1235 12.872,1236 9.842,1237 11.775,1238 0.318,1239 0.206,1240 11.775,1241 7.63,1242 8.156,1243 0.199,1244 0.122,1245 8.156,1246 4.997,1247 6.385,1248 0.13,1249 0.072,1250 6.385,1251 3.545,1252 4.63,1253 0.089,1254 0.043,1255 4.63,1256 2.256,1257 0.374,1258 80,1259 0.236,1260 26.746,1261 0.601,1262 130,1263 363.416,1264 142.158,1265 347.771,1266 449.09,1267 320,1268 143,1269 305.502,1270 152.642,1271 307.98,1272 438.39,1273 289,1274 4.886}
{0 CHEMBL434173,1 1.386,2 13.571,3 2.929,4 8.577,5 109.598,6 6.247,7 0.207,8 4.194,9 4.321,10 3.557,11 3.66,12 5.214,13 3.609,14 4.778,15 4.961,16 3.873,17 4.082,18 5.779,19 3.981,20 5.177,21 5.433,22 3.888,23 4.232,24 6.058,25 4.082,26 5.219,27 5.496,28 3.801,29 4.212,30 6.099,31 4.039,32 5.198,33 5.483,34 3.778,35 4.179,36 6.029,37 4.009,38 5.164,39 5.434,40 3.823,41 4.145,42 6.108,43 3.992,44 5.148,45 5.42,46 3.728,47 4.094,48 6.118,49 3.931,50 5.071,51 5.363,52 3.61,53 4.02,54 5.923,55 3.848,56 0.095,57 0.825,58 15.609,59 6.525,60 21.361,61 8.845,62 0.237,63 1.342,64 27.8,65 10.879,66 54.708,67 15.357,68 0.523,69 1.674,70 41.423,71 13.79,72 90.361,73 20.344,74 0.629,75 1.672,76 43.034,77 13.967,78 106.699,79 20.88,80 0.52,81 1.606,82 41.956,83 13.732,84 92.775,85 20.413,86 0.593,87 1.548,88 40.96,89 13.147,90 108.733,91 19.455,92 0.729,93 1.501,94 40.649,95 12.402,96 119.716,97 18.587,98 0.593,99 1.393,100 37.173,101 11.504,102 91.009,103 17.379,104 33,105 37,106 0.228,107 0.505,108 0.686,109 0.828,110 0.883,111 0.893,112 3.373,113 1.088,114 -3.28,115 -3.27,116 -3.14,118 34.9,120 9,121 2,124 1,125 3,133 5,135 1,145 1,150 1,153 1,154 13,155 1,158 1,160 1,162 8,164 14,165 1,167 1,169 1,170 9,171 11,172 1,175 1,178 1,179 8,180 8,181 1,184 1,189 8,192 8,193 1,196 1,199 1,200 8,202 9,203 1,206 1,209 2,210 7,211 9,212 1,215 1,218 1,219 5,222 8,223 1,226 1,230 6,231 1,233 8,234 2,236 1576,237 18.587,238 18.587,239 18.587,240 18.587,241 18.587,242 17.629,243 15.749,244 11.533,245 18.759,246 14.321,247 14.321,248 14.321,249 14.321,250 14.321,251 12.957,252 17.75,253 5.538,254 14.642,255 4.591,256 2.902,257 1.8,258 0.937,259 0.603,260 0.54,261 4.039,265 1,266 1,267 772,268 4.301,270 96.089,271 110.654,277 2.469,278 39.631,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 61.5,289 380,290 4.148,291 3.596,292 6.682,293 4.13,294 3.148,295 3.445,296 2.341,297 10.723,298 3.088,299 3.902,300 3.258,301 5.371,302 3.523,303 2.558,304 3.148,305 0.4,306 7.027,307 2.469,308 3.55,309 2.747,310 5.345,311 3.261,312 2.299,313 2.71,315 6.281,316 2.224,317 3.349,318 2.497,319 4.989,320 3.241,321 2.236,322 2.369,324 5.885,325 2.201,326 3.043,327 2.31,328 4.662,329 2.994,330 2.036,331 2.08,333 5.184,334 1.946,335 2.904,336 1.912,337 4.657,338 2.754,339 1.774,340 2.021,342 4.75,343 1.729,344 2.788,345 1.733,346 3.797,347 2.573,348 1.591,349 1.787,351 3.447,352 1.554,353 2.607,354 1.579,355 3.639,356 2.47,357 1.488,358 1.603,360 3.142,361 1.458,362 2.5,363 1.324,364 3.464,365 2.108,366 1.124,367 1.5,369 2.458,370 1.099,371 2.167,372 1,373 3.247,374 2,375 1,376 1.15,378 2.136,379 1,380 1.877,381 0.997,382 3.181,383 1.795,384 0.815,385 0.848,387 1.841,388 0.796,389 1.589,390 0.818,391 2.888,392 1.453,393 0.503,394 0.534,395 1.135,396 0.474,397 1.282,398 0.603,399 2.595,400 1.197,401 0.22,402 0.227,403 0.481,404 0.214,405 0.84,406 0.306,407 2.353,408 0.741,409 -0.231,410 -0.235,411 -0.533,412 -0.221,413 0.689,414 0.009,415 2.228,416 0.382,417 -0.553,418 -0.558,419 -1.29,420 -0.488,421 13.067,422 0.467,423 0.617,424 0.022,425 24.25,426 0.866,427 8,428 0.286,429 16.25,430 0.58,431 32.76,432 1.17,433 34.333,434 0.545,435 16.269,436 0.581,437 4.086,438 0.146,439 9.384,440 0.335,441 0.128,443 0.268,447 0.949,448 1.283,449 1.041,450 1.219,451 0.909,452 1.154,453 0.657,454 1.428,455 1.078,456 1.399,457 0.604,458 1.323,459 0.95,460 1.092,461 1.045,462 1.08,463 0.937,464 1.08,465 0.887,466 0.996,467 1.009,468 1.006,469 0.831,470 1.024,471 0.919,472 0.93,473 0.938,474 0.947,475 0.885,476 0.946,477 0.97,478 1.004,479 0.955,480 1.001,481 0.95,482 0.981,483 1.102,484 0.981,485 1.058,486 0.967,487 1.063,488 1.002,489 1.004,490 0.81,491 0.962,492 0.825,493 0.961,494 0.874,495 5,496 0.188,497 2.667,498 1.826,499 0.961,500 0.781,501 0.494,502 0.278,503 0.262,504 0.274,505 10438,506 27280,507 1.956,508 55.6,509 12,510 10,513 5,514 2,515 4,516 2,517 1.708,518 1.826,519 3.679,520 2.432,522 1,525 87.327,526 1.386,527 3.075,528 4.178,529 5.04,530 5.374,531 5.438,532 3.231,533 4.522,534 4.771,535 3.913,536 1478.94,537 8.287,538 21379.3,540 1,542 376.569,543 1.405,544 4.732,545 0.172,546 0.006,547 0.072,548 0.052,549 0.031,550 0.025,551 0.015,552 0.01,553 0.01,554 0.009,555 0.404,556 0.17,557 0.88,558 1.817,559 145.355,560 -0.115,561 0.091,562 -0.022,563 0.109,564 -0.104,565 0.066,566 0.052,567 -0.187,568 -0.106,569 -0.184,570 0.08,571 -0.175,572 -0.054,573 -0.07,574 -0.071,575 -0.067,576 -0.068,577 -0.073,578 -0.016,579 -0.024,580 -0.048,581 -0.034,582 -0.004,583 -0.044,584 -0.052,585 0.014,586 0.017,587 0.016,588 -0.046,589 0.028,590 0.003,591 -0.053,592 0.021,593 -0.03,594 0.001,595 -0.005,596 -0.029,597 -0.037,598 -0.064,599 -0.025,600 -0.036,601 -0.05,602 -0.065,603 0.125,604 0.007,605 0.096,606 -0.076,607 0.07,608 2.422,609 4.33,610 0.393,611 35.847,612 0.996,613 1.137,614 2.055,615 4.222,616 0.607,617 3.401,618 3.638,619 3.784,620 3.951,621 4.025,622 3.932,623 3.932,624 3.951,625 4.007,626 4.025,627 7.987,628 0.564,629 393.58,630 3.401,631 4.89,632 5.68,633 6.509,634 7.323,635 8.161,636 8.99,637 9.836,638 10.675,639 11.527,640 1.6,642 1,651 5,656 1,658 6,664 1,670 63,671 7,672 1,673 29,675 64,676 22,677 6,678 1,679 5,681 2,682 2,688 3,689 2,691 12,693 7,694 15,695 2,696 1,698 1,701 1,704 1,707 35,708 6,709 5,710 6,714 1,717 1,718 5,719 3,730 1,731 1,739 1,746 4,748 2,756 28,759 4,760 10,761 1,764 5,773 7.9,774 3,775 1,776 1,779 15.333,780 10.05,781 6.417,782 4.049,785 0.919,786 1.136,787 0.83,788 10.1,789 7.676,790 3.526,791 3.882,792 4.139,793 4.45,794 4.736,795 4.432,796 4.458,797 4.518,798 4.656,799 4.652,800 1,801 35,802 10.514,803 4.454,804 7.946,805 20.223,806 16.896,807 2.446,808 68.5,811 1,812 353.133,813 75.964,814 18.011,816 195.878,819 75.964,820 549.011,821 18.011,823 24.916,824 175.431,825 86.749,826 2.757,828 353.133,830 353.133,831 93.975,832 195.878,835 282.506,836 138.455,837 128.05,839 24.916,840 51.048,841 18.011,843 353.133,844 213.889,845 75.964,848 353.133,849 28.583,850 47.381,851 18.011,852 195.878,853 353.133,854 213.889,855 75.964,857 0.561,858 0.302,859 0.154,860 0.081,861 13,862 7,863 0.203,864 13,866 1,867 4.113,868 208.5,870 11,871 130.606,874 22.985,875 12.303,876 8.316,878 213.889,879 9.738,884 0.971,886 188.744,887 642.986,888 33,890 10.532,893 -0.755,895 62.76,896 71.604,897 0.232,898 0.514,899 0.699,900 0.843,901 0.899,902 0.91,903 4.741,904 1.488,905 5.624,906 3.447,907 4.317,908 4.564,909 2.291,910 6.333,911 4.27,912 5.836,913 1.124,914 7.122,915 3.142,916 3.761,917 4.034,918 2.243,919 7.096,920 3.652,921 7.059,922 1,923 8.726,924 2.458,925 5.802,926 6.337,927 3.63,928 10.177,929 5.712,930 8.308,931 0.815,932 10.397,933 2.136,934 6.089,935 6.555,936 4.112,937 11.898,938 5.943,939 9.59,940 0.503,941 12.116,942 1.841,943 7.589,944 8.412,945 5.201,946 14.503,947 7.457,948 10.896,949 0.22,950 13.871,951 1.135,952 8.306,953 8.974,954 5.889,955 16.629,956 8.13,957 12.22,958 -0.231,959 15.654,960 0.481,961 9.58,962 10.646,963 6.849,964 19.08,965 9.407,966 3.148,967 -0.553,968 17.46,969 -0.533,970 10.517,971 11.39,972 7.625,973 21.362,974 10.313,975 2.558,976 10.723,977 19.284,978 -1.29,979 11.7,980 12.96,981 8.526,982 23.761,983 11.49,984 2.299,985 7.027,986 21.123,987 3.445,988 12.746,989 13.819,990 9.342,991 26.101,992 12.511,993 2.236,994 6.281,995 22.975,996 3.148,997 13.896,998 15.318,999 10.216,1000 28.483,1001 13.65,1002 2.036,1003 5.885,1004 24.836,1005 2.71,1006 14.993,1007 16.259,1008 11.051,1009 30.843,1010 14.727,1011 1.774,1012 5.184,1013 26.705,1014 2.369,1015 16.135,1016 17.704,1017 11.912,1018 33.219,1019 15.853,1020 1.591,1021 4.75,1022 28.581,1023 2.08,1024 17.256,1025 18.706,1026 12.755,1027 35.586,1028 16.956,1029 10540,1030 17088,1031 18.781,1032 38.222,1033 41.824,1034 42.294,1035 42.69,1036 41.715,1037 41.585,1038 46.844,1039 5.482,1040 108.978,1041 40.504,1042 5.127,1043 5.596,1044 6.506,1045 5.135,1046 5.148,1047 6.445,1048 3.925,1049 17.488,1050 5.088,1051 15.881,1052 1.442,1053 1.458,1054 1.472,1055 1.438,1056 1.434,1057 1.615,1058 0.189,1059 3.758,1060 1.397,1061 3.984,1062 4.025,1063 3.878,1064 3.877,1065 7.474,1066 3.871,1067 3.895,1068 3.933,1069 3.815,1070 3.815,1071 6.465,1072 3.81,1073 3.747,1074 3.8,1075 3.61,1076 3.611,1077 6.448,1078 3.599,1079 3.633,1080 3.683,1081 3.497,1082 3.473,1083 6.433,1084 3.469,1085 3.501,1086 3.546,1087 3.365,1088 3.315,1089 6.351,1090 3.315,1091 3.236,1092 3.318,1093 3.063,1094 3.033,1095 4.779,1096 3.028,1097 3.193,1098 3.243,1099 3.022,1100 2.963,1101 4.209,1102 2.968,1103 2.977,1104 3.027,1105 2.826,1106 2.742,1107 4.096,1108 2.744,1109 0.143,1110 0.124,1111 0.23,1112 0.142,1113 0.109,1114 4.148,1115 0.119,1116 3.596,1117 0.081,1118 6.682,1119 0.37,1120 4.13,1121 0.106,1122 3.148,1123 3.445,1124 2.341,1125 10.723,1126 3.088,1127 1.895,1128 1.861,1129 2.058,1130 2.013,1131 1.467,1132 2.025,1133 1.834,1134 1.786,1135 2.023,1136 1.972,1137 1.34,1138 1.996,1139 1.733,1140 1.681,1141 1.958,1142 1.896,1143 1.204,1144 1.918,1145 1.612,1146 1.564,1147 1.845,1148 1.805,1149 1.114,1150 1.816,1151 1.513,1152 1.462,1153 1.75,1154 1.728,1155 1.039,1156 1.735,1157 1.385,1158 1.334,1159 1.645,1160 1.617,1161 0.949,1162 1.622,1163 1.139,1164 1.063,1165 1.452,1166 1.405,1167 0.704,1168 1.421,1169 0.997,1170 0.935,1171 1.309,1172 1.301,1173 0.543,1174 1.3,1175 4.078,1177 5.333,1178 2.398,1179 6.753,1180 4.844,1181 8.255,1182 6.986,1183 9.806,1189 39.575,1190 6.656,1191 3.209,1194 -1.425,1199 35.551,1200 87.327,1201 193.743,1202 263.185,1203 317.549,1204 338.569,1205 342.569,1206 105.369,1207 6.757,1208 110.02,1209 110.02,1210 11,1211 12.087,1212 3,1213 2.322,1214 62.154,1215 128,1216 141,1217 0.223,1218 222.081,1219 397.93,1220 533.638,1221 8023,1223 20.355,1224 0.727,1225 0.591,1226 20.355,1227 16.542,1228 13.469,1229 0.464,1230 0.363,1231 10.418,1232 13.047,1233 10.259,1234 8.475,1235 13.469,1236 10.52,1237 11.667,1238 0.315,1239 0.217,1240 11.667,1241 8.023,1242 8.61,1243 0.2,1244 0.136,1245 8.61,1246 5.848,1247 6.681,1248 0.131,1249 0.084,1250 6.681,1251 4.269,1252 4.898,1253 0.089,1254 0.052,1255 4.898,1256 2.876,1257 0.363,1258 84.156,1259 0.231,1260 27.724,1261 0.577,1262 132,1263 360.667,1264 144.46,1265 340.187,1266 433.59,1267 314,1268 146,1269 283.175,1270 156.193,1271 283.45,1272 405.06,1273 268,1274 7.046}
{0 CHEMBL440164,1 1.437,2 13.724,3 1.114,4 1.241,5 116.279,6 6.847,7 0.2,8 4.178,9 4.291,10 3.775,11 3.738,12 5.203,13 3.639,14 4.747,15 4.907,16 3.99,17 4.115,18 5.878,19 3.996,20 5.119,21 5.341,22 3.959,23 4.212,24 6.165,25 4.074,26 5.112,27 5.373,28 3.845,29 4.166,30 6.088,31 3.993,32 5.036,33 5.296,34 3.814,35 4.108,36 5.997,37 3.95,38 5.011,39 5.258,40 3.862,41 4.085,42 6.047,43 3.941,44 5.031,45 5.275,46 3.79,47 4.051,48 6.088,49 3.892,50 4.973,51 5.238,52 3.714,53 4.003,54 5.911,55 3.823,56 0.132,57 0.806,58 17.848,59 7.563,60 33.582,61 8.615,62 0.265,63 1.301,64 31.232,65 12.649,66 69.152,67 14.677,68 0.669,69 1.604,70 42.36,71 14.654,72 122.997,73 18.778,74 0.596,75 1.575,76 42.158,77 14.725,78 112.163,79 19.336,80 0.436,81 1.472,82 38.226,83 13.554,84 93.261,85 17.989,86 0.471,87 1.437,88 37.218,89 13.177,90 102.115,91 17.397,92 0.727,93 1.411,94 39.495,95 13.159,96 124.29,97 16.961,98 0.655,99 1.328,100 37.521,101 12.606,102 101.944,103 16.171,104 44,105 40,106 0.235,107 0.57,108 0.811,109 0.892,110 0.909,111 0.909,112 3.407,113 1.24,114 -3.12,115 -3.11,116 -2.99,118 35.5,120 4,121 2,123 1,124 2,125 3,129 4,133 5,135 1,150 1,153 1,154 12,158 2,160 1,162 5,164 13,165 1,167 4,168 1,170 6,171 10,172 1,175 3,178 1,179 6,180 7,181 1,184 2,189 7,192 7,193 1,196 2,199 1,200 7,202 8,203 1,206 3,208 1,209 1,210 5,211 8,212 1,215 2,217 1,219 3,222 6,223 1,226 2,230 4,231 1,233 7,234 2,236 1729,237 18.828,238 18.828,239 18.828,240 18.828,241 18.828,242 17.455,243 16.644,244 11.441,245 19.056,246 14.816,247 14.816,248 14.816,249 14.816,250 14.816,251 12.765,252 17.316,253 5.48,254 15.238,255 4.517,256 2.473,257 0.998,258 0.508,259 0.399,260 0.399,261 4.07,265 1,266 1,267 807,268 4.637,270 100.408,271 115.281,277 2.542,278 44.509,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 63.667,289 398,290 4.377,291 3.337,292 6.682,293 4.13,294 3.148,295 3.716,296 0.86,297 10.723,298 3.098,299 4.172,300 3.099,301 6.394,302 4.098,303 3.098,304 3.446,305 0.765,306 9.951,307 3.088,308 3.902,309 2.983,310 5.371,311 3.497,312 2.558,313 3.21,315 7.027,316 2.4,317 3.485,318 2.686,319 5.345,320 3.257,321 2.299,322 2.566,324 6.281,325 2.193,326 3.214,327 2.378,328 4.989,329 2.997,330 2.038,331 2.276,333 5.885,334 1.95,335 2.995,336 2.141,337 4.66,338 2.777,339 1.796,340 2.097,342 4.751,343 1.755,344 2.904,345 1.905,346 3.84,347 2.595,348 1.617,349 1.962,351 3.541,352 1.574,353 2.686,354 1.694,355 3.644,356 2.456,357 1.49,358 1.673,360 3.143,361 1.432,362 2.5,363 1.49,364 3.536,365 2.148,366 1.165,367 1.5,369 2.569,370 1.142,371 2.354,372 1.11,373 3.295,374 2,375 1,376 1.289,378 2.136,379 1,380 2.185,381 1,382 3.247,383 1.799,384 0.832,385 1.022,387 1.914,388 0.8,389 1.631,390 0.897,391 3.02,392 1.442,393 0.517,394 0.556,395 1.181,396 0.471,397 1.407,398 0.58,399 2.784,400 1.201,401 0.243,402 0.268,403 0.544,404 0.232,405 1.004,406 0.16,407 2.411,408 0.747,409 -0.218,410 -0.247,411 -0.518,412 -0.209,413 0.712,414 -0.072,415 2.352,416 0.37,417 -0.553,418 -0.561,419 -1.291,420 -0.488,421 14,422 0.483,423 0.826,424 0.028,425 26.75,426 0.922,427 10,428 0.345,429 16.75,430 0.578,431 32.307,432 1.114,433 34.6,434 0.558,435 20.098,436 0.693,437 4.724,438 0.163,439 9.036,440 0.312,441 0.155,442 0.071,443 0.214,447 1.004,448 1.221,449 0.979,450 1.331,451 1.004,452 1.104,453 0.824,454 1.382,455 1.302,456 1.565,457 0.736,458 1.267,459 1.208,460 1.05,461 1.055,462 0.941,463 1.24,464 1.088,465 0.882,466 0.958,467 0.9,468 0.87,469 0.813,470 0.979,471 0.896,472 0.944,473 0.825,474 0.807,475 0.89,476 0.941,477 0.866,478 1.03,479 0.823,480 0.872,481 0.858,482 0.989,483 1.088,484 0.979,485 0.992,486 0.899,487 1.047,488 1.013,489 1.084,490 0.791,491 0.902,492 0.734,493 0.985,494 0.858,495 6.5,496 0.241,497 2.889,498 1.951,499 1.041,500 0.837,501 0.535,502 0.309,503 0.311,504 0.349,505 11517,506 32177,507 1.93,508 53.2,509 4,510 19,513 4,515 4,516 2,517 1.716,518 1.785,519 3.676,520 1.629,522 1,525 89.078,526 1.437,527 3.481,528 4.956,529 5.446,530 5.555,531 5.555,532 3.224,533 4.349,534 4.823,535 3.946,536 1602.24,537 8.387,538 23912.7,540 1,542 369.16,543 1.581,544 4.765,545 0.217,546 0.007,547 0.072,548 0.054,549 0.033,550 0.026,551 0.016,552 0.011,553 0.012,554 0.011,555 0.459,556 0.17,557 0.88,558 1.81,559 152.458,560 -0.168,561 0.08,562 0.14,563 0.067,564 -0.194,565 0.07,566 0.052,567 -0.19,568 -0.179,569 -0.244,570 0.088,571 -0.157,572 -0.101,573 -0.059,574 -0.145,575 -0.061,576 -0.137,577 -0.115,578 -0.006,579 -0.004,580 -0.015,581 -0.005,582 0.009,583 -0.005,584 -0.051,585 0.013,586 0.026,587 0.024,588 -0.032,589 0.036,590 0.028,591 -0.061,592 0.035,593 -0.033,594 0.036,595 -0.01,596 0.003,597 -0.032,598 -0.066,599 -0.031,600 -0.024,601 -0.061,602 -0.058,603 0.135,604 0.025,605 0.132,606 -0.074,607 0.088,608 3.763,609 4.274,610 0.379,611 37.9,612 0.999,613 1.13,614 1.886,615 3.558,616 0.635,617 3.434,618 3.714,619 3.807,620 3.97,621 4.043,622 3.951,623 3.951,624 3.97,625 4.043,626 4.094,627 8.222,628 0.583,629 424.52,630 3.434,631 4.949,632 5.733,633 6.581,634 7.387,635 8.239,636 9.058,637 9.913,638 10.742,639 11.6,651 5,656 1,658 6,668 1,670 62,671 9,672 1,673 30,675 63,676 22,677 6,678 1,679 5,681 2,682 2,688 3,689 2,691 7,693 10,694 12,695 2,696 3,698 1,699 4,702 1,704 1,707 33,708 6,709 4,710 7,711 1,717 1,718 6,719 3,724 1,730 1,731 1,741 4,746 4,748 2,752 1,756 29,759 4,760 6,762 1,764 5,773 9.7,774 4,776 1,778 1,779 16.25,780 10.25,781 6.458,782 3.587,783 1,785 1.828,786 1.268,787 0.845,788 9.775,789 8.649,790 3.611,791 4.034,792 4.273,793 4.611,794 4.927,795 4.821,796 4.919,797 5.056,798 5.274,799 5.449,800 1,801 36,802 10.992,803 4.809,804 8.005,805 20.734,806 17.371,807 2.505,808 72.639,812 347.425,813 111.256,816 196.445,818 6.063,819 111.256,820 537.807,822 5.996,823 20.793,824 250.468,825 20.263,826 16.243,828 341.362,830 341.362,831 111.256,832 196.445,833 6.063,835 270.735,836 101.89,837 165.182,839 14.731,840 58.621,841 43.968,843 341.362,844 196.445,845 111.256,846 6.063,847 6.063,848 341.362,849 19.974,850 91.282,852 196.445,853 341.362,854 196.445,855 117.319,857 0.574,858 0.295,859 0.148,860 0.078,861 15,862 8,863 0.175,864 11,866 1,867 4.156,868 219.922,870 11,871 136.881,874 24.014,875 11.805,876 8.96,878 196.445,879 9.234,884 0.68,886 165.182,887 655.126,888 36,890 11.266,891 7.305,894 -2.957,895 61.96,896 70.039,897 0.241,898 0.585,899 0.832,900 0.915,901 0.933,902 0.933,903 4.848,904 1.49,905 5.733,906 3.541,907 4.394,908 4.718,909 1.294,910 6.494,911 4.34,912 6.012,913 1.165,914 7.27,915 3.143,916 4.111,917 4.46,919 7.573,920 4.029,921 7.292,922 1,923 8.92,924 2.569,925 5.994,926 6.656,927 1.022,928 10.49,929 5.902,930 8.605,931 0.832,932 10.637,933 2.136,934 6.509,935 7.157,937 12.38,938 6.403,939 9.951,940 0.517,941 12.397,942 1.914,943 7.918,944 8.898,945 0.793,946 14.899,947 7.805,948 11.321,949 0.243,950 14.187,951 1.181,952 8.781,953 9.742,955 17.079,956 8.662,957 12.709,958 -0.218,959 15.998,960 0.544,961 10.015,962 11.291,963 0.606,964 19.483,965 9.891,966 3.148,967 -0.553,968 17.825,969 -0.518,970 11.033,971 12.309,973 21.769,974 10.903,975 3.098,976 10.723,977 19.664,978 -1.291,979 12.201,980 13.76,981 0.457,982 24.137,983 12.067,984 2.558,985 9.951,986 21.512,987 3.716,988 13.285,989 14.876,991 26.463,992 13.145,993 2.299,994 7.027,995 23.367,996 3.446,997 14.431,998 16.271,999 0.342,1000 28.821,1001 14.285,1002 2.038,1003 6.281,1004 25.228,1005 3.21,1006 15.544,1007 17.447,1009 31.163,1010 15.392,1011 1.796,1012 5.885,1013 27.095,1014 2.566,1015 16.683,1016 18.807,1017 0.254,1018 33.518,1019 16.523,1020 1.617,1021 4.751,1022 28.964,1023 2.276,1024 17.81,1025 20.023,1027 35.868,1028 17.642,1029 11631,1030 19497,1031 19.068,1032 39.353,1033 44.425,1034 44.515,1035 44.278,1036 43.66,1037 43.602,1038 51.163,1039 3.249,1040 119.288,1041 42.267,1042 5.292,1043 5.337,1044 6.488,1045 5.171,1046 5.148,1047 6.716,1048 1.72,1049 17.488,1050 5.098,1051 17.841,1052 1.481,1053 1.484,1054 1.476,1055 1.455,1056 1.453,1057 1.705,1058 0.108,1059 3.976,1060 1.409,1061 3.981,1062 4.015,1063 4.454,1064 4.051,1065 7.424,1066 3.877,1067 3.883,1068 3.909,1069 3.879,1070 3.87,1071 6.465,1072 3.801,1073 3.825,1074 3.86,1075 3.809,1076 3.805,1077 6.449,1078 3.727,1079 3.628,1080 3.667,1081 3.536,1082 3.546,1083 6.434,1084 3.505,1085 3.566,1086 3.608,1087 3.465,1088 3.435,1089 6.343,1090 3.421,1091 3.246,1092 3.319,1093 3.082,1094 3.103,1095 4.857,1096 3.061,1097 3.166,1098 3.215,1099 3.024,1100 2.965,1101 4.428,1102 2.97,1103 2.968,1104 3.024,1105 2.812,1106 2.735,1107 4.344,1108 2.715,1109 0.146,1110 0.111,1111 0.223,1112 0.138,1113 0.105,1114 4.377,1115 0.124,1116 3.337,1117 0.029,1118 6.682,1119 0.357,1120 4.13,1121 0.103,1122 3.148,1123 3.716,1124 0.86,1125 10.723,1126 3.098,1127 1.876,1128 1.851,1129 2.015,1130 1.986,1131 1.369,1132 1.998,1133 1.846,1134 1.806,1135 1.998,1136 1.945,1137 1.312,1138 1.984,1139 1.773,1140 1.738,1141 1.907,1142 1.863,1143 1.158,1144 1.916,1145 1.65,1146 1.611,1147 1.817,1148 1.788,1149 1.057,1150 1.827,1151 1.516,1152 1.47,1153 1.712,1154 1.698,1155 0.984,1156 1.725,1157 1.437,1158 1.391,1159 1.61,1160 1.594,1161 0.939,1162 1.654,1163 1.179,1164 1.108,1165 1.488,1166 1.391,1167 0.686,1168 1.435,1169 0.982,1170 0.927,1171 1.297,1172 1.237,1173 0.47,1174 1.251,1175 4.111,1177 5.398,1178 2.398,1179 6.843,1180 4.844,1181 8.359,1182 6.986,1183 9.917,1185 1.364,1189 39.966,1190 2.687,1192 5.522,1194 -2.429,1199 36.168,1200 89.078,1201 215.828,1202 307.286,1203 337.65,1204 344.405,1205 344.405,1206 114.266,1207 6.821,1208 107.22,1209 117.03,1210 11,1211 12.159,1212 3.322,1213 2.807,1214 65.795,1215 137,1216 135,1217 0.22,1218 230.285,1219 412.91,1220 553.654,1221 8780,1223 21.278,1224 0.734,1225 0.613,1226 21.528,1227 17.773,1228 13.76,1229 0.459,1230 0.413,1231 10.203,1232 12.555,1233 9.76,1234 8.063,1235 14.687,1236 12.399,1237 12.795,1238 0.32,1239 0.259,1240 14.201,1241 10.361,1242 8.755,1243 0.199,1244 0.143,1245 9.218,1246 6.3,1247 6.783,1248 0.13,1249 0.084,1250 7.111,1251 4.36,1252 4.97,1253 0.089,1254 0.048,1255 5.202,1256 2.676,1257 0.36,1258 94.54,1259 0.229,1260 28.55,1261 0.568,1262 140,1263 407.682,1264 181.367,1265 395.535,1266 506.14,1267 364,1268 154,1269 315.911,1270 199.347,1271 339.692,1272 483.66,1273 318,1274 7.377}
{0 CHEMBL459885,1 1.985,2 13.829,3 6.457,4 41.689,5 130.54,6 10.537,7 0.579,8 4.068,9 4.13,10 4.025,11 3.716,12 5.331,13 3.703,14 4.567,15 4.657,16 4.387,17 4.089,18 6.07,19 4.079,20 4.818,21 4.928,22 4.515,23 4.203,24 6.323,25 4.18,26 4.844,27 4.973,28 4.476,29 4.147,30 6.361,31 4.12,32 4.761,33 4.903,34 4.3,35 4.072,36 6.282,37 4.045,38 4.774,39 4.925,40 4.296,41 4.105,42 6.269,43 4.058,44 4.744,45 4.899,46 4.369,47 4.108,48 6.186,49 4.048,50 4.739,51 4.893,52 4.277,53 4.039,54 6.175,55 3.967,56 0.258,57 0.815,58 5.395,59 4.629,60 35.841,61 4.005,62 0.648,63 1.287,64 10.191,65 7.533,66 74.342,67 6.965,68 1.139,69 1.71,70 23.528,71 11.048,72 151.198,73 9.303,74 1.243,75 1.567,76 28.883,77 11.263,78 182.364,79 9.613,80 1.144,81 1.467,82 21.542,83 10.105,84 161.751,85 9.559,86 1.166,87 1.448,88 20.359,89 10.12,90 165.661,91 10.174,92 0.955,93 1.386,94 22.198,95 10.279,96 121.888,97 10.981,98 1.097,99 1.331,100 24.855,101 10.113,102 147.396,103 9.377,104 65,105 56,106 0.325,107 0.639,108 0.783,109 0.894,110 0.907,111 0.907,112 3.588,113 0.963,114 -5.17,115 -5.06,116 -4.74,118 47.1,123 1,129 2,133 9,134 2,135 7,141 1,142 1,145 1,154 7,157 1,158 7,160 3,162 1,164 10,167 12,170 3,171 8,174 3,175 9,179 2,180 7,184 7,189 1,192 13,195 1,196 4,198 1,202 12,205 1,206 7,208 1,210 2,211 12,214 2,215 1,219 1,222 8,225 2,226 8,230 1,233 3,236 2356,237 22.695,238 22.695,239 22.695,240 22.695,241 22.695,242 19.32,243 19.501,244 12.92,245 23.398,246 18.699,247 18.699,248 18.699,249 18.699,250 18.699,251 13.524,252 16.926,253 6.109,254 20.028,255 3.687,256 1.771,257 0.888,258 0.211,259 0.132,260 0.132,261 4.274,262 2,266 1,267 1033,268 4.301,270 84.18,271 342.123,274 157.58,277 1.958,278 65.986,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 78.667,289 484,290 4.861,291 4.69,292 7.311,293 4.318,294 3.398,295 4.713,296 0.98,297 12.521,298 3.173,299 4.711,300 3.436,301 6.923,302 4.237,303 3.268,304 4.694,305 0.86,306 11.663,307 3.097,308 4.234,309 3.403,310 6.087,311 3.763,312 2.857,313 3.884,315 8.828,316 2.543,317 4.107,318 3.249,319 5.898,320 3.643,321 2.71,322 3.718,324 8.064,325 2.516,326 3.724,327 3.22,328 5.648,329 3.298,330 2.334,331 3.136,333 7.258,334 2.278,335 3.7,336 2.796,337 5.267,338 3.246,339 2.294,340 3.05,342 6.457,343 2.123,344 3.43,345 2.538,346 5.115,347 2.999,348 2.065,349 2.741,351 5.939,352 1.977,353 3.387,354 2.125,355 4.944,356 2.915,357 1.986,358 2.682,360 5.691,361 1.699,362 3.081,363 2.117,364 4.603,365 2.548,366 1.566,367 2.294,369 4.591,370 1.524,371 2.855,372 1.921,373 4.461,374 2.377,375 1.481,376 1.985,378 4.037,379 1.31,380 2.819,381 1.74,382 4.11,383 2.352,384 1.414,385 1.947,387 3.514,388 1.278,389 2.726,390 1.459,391 4.04,392 2.238,393 1.288,394 1.809,395 3.512,396 1.219,397 2.701,398 1.259,399 3.724,400 2.221,401 1.224,402 1.752,403 2.856,404 1.196,405 2.245,406 0.895,407 3.303,408 1.546,409 0.566,410 0.864,411 1.375,412 0.546,413 1.621,414 0.819,415 3.088,416 1.203,417 0.336,418 0.419,419 0.812,420 0.266,421 16.967,422 0.485,423 1.211,424 0.035,425 48.75,426 1.393,427 26.5,428 0.757,429 22.25,430 0.636,431 28.55,432 0.816,433 37.033,434 0.726,435 43.869,436 1.253,437 9.855,438 0.282,439 6.691,440 0.191,441 0.206,442 0.049,443 0.348,445 2,447 0.564,448 0.997,449 0.595,450 1.022,451 0.597,452 0.793,453 0.677,454 0.942,455 0.674,456 0.858,457 0.575,458 0.813,459 1.031,460 0.997,461 1.046,462 1.11,463 0.92,464 1.036,465 1.045,466 0.911,467 0.931,468 0.992,469 0.965,470 1.016,471 0.766,472 0.81,473 0.74,474 0.935,475 0.751,476 1.012,477 0.769,478 0.723,479 0.741,480 0.77,481 0.774,482 0.955,483 0.599,484 0.87,485 0.81,486 0.958,487 0.608,488 0.996,489 0.95,490 0.786,491 1.131,492 0.948,493 0.98,494 1.084,495 9.5,496 0.23,497 5.333,498 3.479,499 2.365,500 1.184,501 1.082,502 0.714,503 0.592,504 0.441,505 18105,506 75929,507 2.001,508 31.4,510 14,511 1,513 1,517 1.768,518 1.818,519 3.71,520 -0.288,525 101.255,526 1.985,527 3.902,528 4.784,529 5.462,530 5.54,531 5.54,532 3.188,533 4.765,534 5.102,535 3.893,536 2316.55,537 8.959,538 36578.1,542 289.294,543 1.691,544 5.023,545 0.25,546 0.006,547 0.095,548 0.06,549 0.045,550 0.024,551 0.022,552 0.015,553 0.014,554 0.011,555 0.542,556 0.17,557 0.88,558 0.633,559 190.177,560 0.006,561 -0.087,562 0.079,563 -0.09,564 -0.093,565 0.01,566 0.055,567 -0.029,568 0.02,569 0.02,570 0.109,571 0.015,572 -0.071,573 -0.026,574 -0.115,575 -0.119,576 -0.019,577 -0.118,578 -0.077,579 -0.037,580 -0.026,581 -0.03,582 -0.016,583 -0.068,584 0.092,585 0.033,586 0.017,587 -0.037,588 0.101,589 -0.043,590 0.076,591 0.106,592 0.034,593 0.112,594 0.069,595 0.031,596 0.139,597 -0.068,598 0.115,599 -0.005,600 0.126,601 0.036,602 -0.077,603 0.021,604 -0.101,605 0.022,606 -0.071,607 -0.074,608 5.327,609 5.411,610 0.6,611 37.638,612 1.043,613 1.119,614 3.938,615 15.508,616 0.744,617 3.664,618 4.043,619 4.29,620 4.543,621 4.754,622 4.796,623 4.89,624 4.97,625 5.056,626 5.118,627 7.951,628 0.73,629 537.39,630 3.664,631 5.242,632 6.098,633 6.999,634 7.874,635 8.776,636 9.66,637 10.562,638 11.451,639 12.353,640 3.9,644 1,645 1,650 2,651 10,656 8,657 1,658 22,668 1,669 4,670 51,671 26,672 3,673 38,675 54,676 24,677 20,678 9,679 9,680 3,681 4,682 5,683 2,693 23,694 1,696 4,697 1,698 3,699 2,701 1,705 2,707 16,708 7,709 1,710 11,711 3,714 2,717 0.75,718 4,727 1,730 1,731 3,734 1,741 2,748 3,750 1,752 1,753 2,754 2,756 35,758 1,761 1,762 1,772 4,773 7.8,776 3,778 1,779 19.25,780 9.605,781 7.458,782 2.737,785 4.678,786 1.58,787 1.012,788 7.198,789 12.741,790 3.989,791 4.684,792 5.258,793 5.852,794 6.388,795 6.675,796 7.044,797 7.411,798 7.712,799 8.072,800 1,801 58,802 13.463,803 6.446,804 8.313,805 23.459,806 19.35,807 2.813,808 98.472,812 176.567,813 177.378,814 18.304,815 78.297,816 80.458,817 29.92,818 5.807,819 171.571,820 335.322,821 48.224,822 8.396,823 16.405,824 119.094,825 74.163,826 55.938,827 43.835,828 164.795,829 78.297,830 176.567,831 189.875,832 110.378,833 84.105,835 206.487,836 80.458,839 18.304,840 152.618,841 103.057,843 206.487,844 98.762,845 255.675,847 5.807,848 176.567,849 49.888,850 123.582,851 16.405,852 188.675,853 176.567,854 128.682,855 255.675,857 0.601,858 0.348,859 0.179,860 0.099,861 27,862 14,863 0.111,864 6,865 1,866 1.095,867 4.411,868 331.75,869 0.095,870 21,871 177.525,873 1,874 25.204,875 9.996,876 5.517,877 1.426,878 126.783,879 13.889,884 -0.997,885 1.807,886 16.405,887 560.924,888 53,889 -4.41,890 37.032,891 2.424,893 -0.981,895 53.214,896 57.058,897 0.35,898 0.688,899 0.843,900 0.963,901 0.977,902 0.977,903 5.25,904 1.986,905 6.142,906 5.939,907 4.727,908 5.373,909 1.481,910 7.013,911 4.594,912 6.527,913 1.566,914 7.752,915 5.691,916 4.575,917 5.509,919 8.186,920 4.316,921 7.893,922 1.481,923 9.469,924 4.591,925 6.425,926 7.743,927 1.37,928 11.244,929 6.167,930 9.298,931 1.414,932 11.249,933 4.037,934 7.04,935 8.665,937 13.244,938 6.658,939 10.735,940 1.288,941 13.072,942 3.514,943 8.446,944 10.448,945 1.275,946 15.902,947 8.055,948 12.196,949 1.224,950 14.925,951 3.512,952 9.393,953 11.716,955 18.221,956 8.896,957 13.677,958 0.566,959 16.802,960 2.856,961 10.648,962 13.341,963 1.193,964 20.765,965 10.124,966 3.398,967 0.336,968 18.698,969 1.375,970 11.738,971 14.761,973 23.202,974 11.127,975 3.268,976 12.521,977 20.608,978 0.812,979 12.946,980 16.329,981 1.123,982 25.715,983 12.292,984 2.857,985 11.663,986 22.53,987 4.713,988 14.097,989 17.817,991 28.196,992 13.369,993 2.71,994 8.828,995 24.462,996 4.694,997 15.294,998 19.366,999 1.062,1000 30.702,1001 14.514,1002 2.334,1003 8.064,1004 26.402,1005 3.884,1006 16.472,1007 20.884,1009 33.2,1010 15.625,1011 2.294,1012 7.258,1013 28.348,1014 3.718,1015 17.669,1016 22.428,1017 1.01,1018 35.707,1019 16.764,1020 2.065,1021 6.457,1022 30.3,1023 3.136,1024 18.86,1025 23.961,1027 38.212,1028 17.891,1029 17438,1030 35953,1031 24.274,1032 37.92,1033 58.564,1034 61.085,1035 60.624,1036 58,1037 57.769,1038 79.62,1039 3.68,1040 174.676,1041 53.659,1042 5.705,1043 6.69,1044 6.83,1045 5.403,1046 5.398,1047 7.713,1048 1.96,1049 19.91,1050 5.173,1051 22.692,1052 1.541,1053 1.608,1054 1.595,1055 1.526,1056 1.52,1057 2.095,1058 0.097,1059 4.597,1060 1.412,1061 4.158,1062 4.182,1063 4.737,1064 4.085,1065 8.24,1066 4.079,1067 4.065,1068 4.044,1069 4.14,1070 4.033,1071 8.161,1072 3.963,1073 3.885,1074 3.895,1075 4.052,1076 3.835,1077 7.718,1078 3.827,1079 3.702,1080 3.711,1081 3.767,1082 3.574,1083 7.428,1084 3.554,1085 3.518,1086 3.536,1087 3.592,1088 3.432,1089 6.999,1090 3.401,1091 3.408,1092 3.444,1093 3.503,1094 3.226,1095 5.082,1096 3.231,1097 3.082,1098 3.111,1099 3.337,1100 2.925,1101 4.924,1102 2.933,1103 2.966,1104 2.989,1105 3.111,1106 2.827,1107 4.648,1108 2.808,1109 0.128,1110 0.123,1111 0.192,1112 0.114,1113 0.089,1114 4.861,1115 0.124,1116 4.69,1117 0.026,1118 7.311,1119 0.329,1120 4.318,1121 0.084,1122 3.398,1123 4.713,1124 0.98,1125 12.521,1126 3.173,1127 1.955,1128 1.96,1129 2.02,1130 2.043,1131 1.177,1132 2.055,1133 1.939,1134 1.934,1135 1.932,1136 2.024,1137 1.139,1138 2.032,1139 1.837,1140 1.823,1141 1.895,1142 1.909,1143 1.026,1144 1.918,1145 1.691,1146 1.654,1147 1.825,1148 1.849,1149 0.912,1150 1.845,1151 1.487,1152 1.486,1153 1.626,1154 1.7,1155 0.67,1156 1.698,1157 1.317,1158 1.291,1159 1.312,1160 1.491,1161 0.524,1162 1.521,1163 1.036,1164 1.006,1165 1.132,1166 1.224,1167 0.296,1168 1.23,1169 0.885,1170 0.877,1171 1.104,1172 1.08,1173 0.175,1174 1.078,1175 4.344,1177 5.707,1178 2.398,1179 7.251,1180 4.844,1181 8.878,1182 7.034,1183 10.55,1185 1.798,1186 12.172,1187 26.514,1191 1.801,1192 5.997,1199 37.252,1200 101.255,1201 198.99,1202 244.009,1203 278.539,1204 282.539,1205 282.539,1206 105.301,1207 8.063,1208 77.4,1209 85.78,1210 23,1211 12.876,1212 4.755,1213 4,1214 59.546,1215 166,1216 168,1217 0.171,1218 236.051,1219 417.27,1220 567.724,1221 40527,1222 7.8,1223 25.328,1224 0.724,1225 0.579,1226 24.837,1227 20.257,1228 16.547,1229 0.435,1230 0.321,1231 9.982,1232 14.505,1233 9.59,1234 7.894,1235 17.14,1236 12.197,1237 16.136,1238 0.288,1239 0.177,1240 17.086,1241 9.927,1242 12.924,1243 0.179,1244 0.095,1245 13.681,1246 6.845,1247 10.533,1248 0.113,1249 0.051,1250 11.917,1251 4.773,1252 8.354,1253 0.073,1254 0.027,1255 8.97,1256 3.082,1257 0.272,1258 119.008,1259 0.203,1260 32.297,1261 0.459,1262 188,1263 770.41,1264 278.112,1265 766.755,1266 990.78,1267 702,1268 222,1269 636.221,1270 312.034,1271 685.392,1272 1002.21,1273 641,1274 5.706}
{0 CHEMBL461390,1 1.971,2 13.857,3 5.998,4 35.974,5 125.951,6 10.215,7 0.579,8 4.072,9 4.137,10 4,11 3.693,12 5.362,13 3.692,14 4.571,15 4.665,16 4.352,17 4.058,18 6.102,19 4.064,20 4.824,21 4.94,22 4.49,23 4.162,24 6.389,25 4.161,26 4.845,27 4.982,28 4.366,29 4.095,30 6.375,31 4.09,32 4.76,33 4.907,34 4.235,35 4.05,36 6.297,37 4.025,38 4.771,39 4.929,40 4.233,41 4.069,42 6.267,43 4.032,44 4.744,45 4.905,46 4.289,47 4.068,48 6.197,49 4.021,50 4.746,51 4.905,52 4.297,53 3.996,54 6.237,55 3.959,56 0.287,57 0.907,58 6.122,59 4.843,60 43.737,61 4.075,62 0.7,63 1.429,64 11.053,65 7.796,66 86.786,67 7.001,68 1.264,69 1.869,70 22.761,71 11.124,72 179.683,73 8.994,74 1.343,75 1.677,76 25.49,77 11.116,78 207.898,79 9.412,80 1.234,81 1.5,82 21.733,83 10.067,84 176.925,85 9.663,86 1.205,87 1.5,88 19.968,89 10.059,90 179.028,91 10.236,92 1.008,93 1.492,94 22.366,95 10.283,96 138.872,97 10.905,98 1.184,99 1.486,100 22.906,101 9.965,102 170.548,103 9.147,104 65,105 56,106 0.323,107 0.634,108 0.774,109 0.888,110 0.907,111 0.907,112 3.588,113 0.933,114 -5.07,115 -4.97,116 -4.65,118 47.1,123 1,129 2,133 9,134 2,135 7,141 1,142 1,145 1,154 7,157 1,158 8,160 3,162 1,164 8,167 10,170 3,171 7,174 3,175 10,179 2,180 8,184 6,189 1,192 11,195 1,196 5,198 1,202 12,205 1,206 5,208 1,210 2,211 9,214 2,215 2,219 1,222 6,225 2,226 8,230 2,233 2,236 2373,237 22.695,238 22.695,239 22.695,240 22.695,241 22.695,242 19.32,243 19.72,244 12.897,245 23.322,246 18.689,247 18.689,248 18.689,249 18.689,250 18.689,251 13.52,252 17.853,253 6.094,254 19.877,255 3.702,256 1.8,257 0.942,258 0.25,259 0.132,260 0.132,261 4.274,262 1,266 1,267 1035,268 4.301,270 84.689,271 343.249,274 158.607,277 1.984,278 72.076,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 79.833,289 485,290 4.861,291 4.69,292 7.311,293 4.318,294 3.398,295 4.713,296 0.98,297 12.521,298 3.173,299 4.71,300 3.431,301 6.922,302 4.236,303 3.266,304 4.693,305 0.86,306 11.659,307 3.097,308 4.218,309 3.379,310 5.96,311 3.746,312 2.832,313 3.872,315 8.388,316 2.56,317 4.107,318 3.284,319 5.898,320 3.643,321 2.71,322 3.718,324 8.064,325 2.516,326 3.747,327 3.249,328 5.695,329 3.322,330 2.411,331 3.167,333 7.482,334 2.28,335 3.724,336 2.829,337 5.346,338 3.29,339 2.294,340 3.052,342 6.607,343 2.167,344 3.431,345 2.272,346 5.153,347 3.013,348 2.054,349 2.741,351 6.102,352 1.981,353 3.375,354 2.123,355 5.039,356 2.937,357 1.967,358 2.679,360 5.77,361 1.853,362 3.081,363 2.117,364 4.601,365 2.548,366 1.566,367 2.294,369 4.59,370 1.524,371 2.82,372 2.075,373 4.408,374 2.352,375 1.414,376 1.949,378 3.833,379 1.31,380 2.819,381 1.74,382 4.041,383 2.319,384 1.414,385 1.947,387 3.52,388 1.247,389 2.727,390 1.494,391 4.04,392 2.27,393 1.323,394 1.812,395 3.513,396 1.219,397 2.714,398 1.259,399 3.724,400 2.222,401 1.225,402 1.764,403 2.858,404 1.217,405 2.243,406 0.893,407 3.302,408 1.542,409 0.555,410 0.857,411 1.349,412 0.543,413 1.566,414 0.822,415 3.069,416 1.168,417 0.292,418 0.358,419 0.686,420 0.242,421 16.538,422 0.473,423 1.211,424 0.035,425 48.75,426 1.393,427 26.5,428 0.757,429 22.25,430 0.636,431 27.526,432 0.786,433 37.462,434 0.735,435 44.702,436 1.277,437 9.986,438 0.285,439 6.56,440 0.187,441 0.186,442 0.05,443 0.357,445 3,447 0.56,448 0.952,449 0.628,450 1.071,451 0.588,452 0.82,453 0.674,454 0.932,455 0.704,456 0.912,457 0.584,458 0.843,459 1.023,460 1,461 1.021,462 1.109,463 0.912,464 1.03,465 1.001,466 0.868,467 1.009,468 1.03,469 0.944,470 1.047,471 0.673,472 0.709,473 0.817,474 0.938,475 0.662,476 1.051,477 0.68,478 0.668,479 0.718,480 0.781,481 0.683,482 0.976,483 0.599,484 0.843,485 0.861,486 0.992,487 0.598,488 1.034,489 0.932,490 0.856,491 1.019,492 0.92,493 0.988,494 1.013,495 9.5,496 0.263,497 5.333,498 3.479,499 2.285,500 1.184,501 1.034,502 0.658,503 0.693,504 0.401,505 18221,506 76777,507 2.001,508 31.4,510 14,511 1,513 1,517 1.767,518 1.818,519 3.725,520 -0.288,525 100.5,526 1.971,527 3.872,528 4.73,529 5.422,530 5.54,531 5.54,532 3.198,533 4.822,534 5.102,535 3.905,536 2323.62,537 8.957,538 36805.5,542 289.294,543 1.691,544 5.023,545 0.25,546 0.008,547 0.095,548 0.06,549 0.044,550 0.025,551 0.022,552 0.014,553 0.016,554 0.01,555 0.542,556 0.17,557 0.88,558 0.633,559 190.391,560 0.003,561 -0.076,562 0.102,563 -0.087,564 -0.082,565 0.011,566 0.042,567 -0.052,568 0.023,569 -0.004,570 0.088,571 0.004,572 -0.071,573 -0.033,574 -0.074,575 -0.106,576 -0.012,577 -0.105,578 -0.075,579 -0.026,580 -0.098,581 -0.07,582 -0.04,583 -0.089,584 0.115,585 0.045,586 -0.012,587 -0.037,588 0.103,589 -0.064,590 0.089,591 0.074,592 0.068,593 0.095,594 0.074,595 0.033,596 0.108,597 -0.086,598 0.1,599 -0.037,600 0.105,601 0.013,602 -0.049,603 -0.029,604 0.025,605 0.046,606 -0.071,607 -0.004,608 5.344,609 5.481,610 0.6,611 38.137,612 1.047,613 1.127,614 3.838,615 14.728,616 0.725,617 3.664,618 4.043,619 4.29,620 4.533,621 4.745,622 4.787,623 4.883,624 4.97,625 5.056,626 5.13,627 8.007,628 0.722,629 520.94,630 3.664,631 5.242,632 6.098,633 6.997,634 7.872,635 8.772,636 9.655,637 10.555,638 11.443,639 12.344,640 3.9,644 1,645 1,650 2,651 10,656 8,657 1,658 22,668 1,669 4,670 51,671 26,672 3,673 38,675 54,676 24,677 20,678 9,679 9,680 3,681 4,682 5,683 1,693 23,694 1,696 4,697 1,698 3,699 2,701 1,705 3,707 16,708 8,709 1,710 11,711 2,714 2,717 0.75,718 4,727 1,730 1,731 3,734 1,741 2,748 3,750 1,752 1,753 1,754 3,756 35,758 1,761 1,762 1,772 4,773 7.8,776 3,778 1,779 19.25,780 9.605,781 7.458,782 2.737,785 4.65,786 1.577,787 1.015,788 6.95,789 12.713,790 3.989,791 4.684,792 5.258,793 5.847,794 6.384,795 6.671,796 7.041,797 7.412,798 7.713,799 8.084,800 1,801 58,802 13.515,803 6.535,804 8.425,805 23.319,806 19.242,807 2.925,808 102.361,812 176.567,813 182.999,814 18.304,815 39.149,816 80.458,817 44.88,818 5.807,819 177.191,820 296.173,821 63.184,822 8.396,823 16.405,824 119.094,825 74.163,826 61.559,827 58.796,828 164.795,829 39.149,830 176.567,831 195.495,832 125.338,833 44.956,835 221.447,836 80.458,839 18.304,840 158.239,841 63.909,843 221.447,844 98.762,845 222.147,847 5.807,848 176.567,849 55.509,850 123.582,851 16.405,852 164.487,853 176.567,854 143.642,855 222.147,857 0.602,858 0.35,859 0.176,860 0.097,861 27,862 14,863 0.111,864 6,865 1,866 1.095,867 4.421,868 330.823,869 0.095,870 21,871 177.525,873 1,874 24.864,875 9.783,876 5.379,877 1.341,878 141.743,879 12.797,884 -2.678,885 1.773,886 16.405,887 542.356,888 53,889 -4.427,890 36.965,891 2.362,893 -1.004,895 53.403,896 57.454,897 0.347,898 0.683,899 0.834,900 0.956,901 0.977,902 0.977,903 5.25,904 1.967,905 6.142,906 6.102,907 4.727,908 5.373,909 1.481,910 7.011,911 4.606,912 6.527,913 1.566,914 7.752,915 5.77,916 4.575,917 5.509,919 8.181,920 4.339,921 7.893,922 1.414,923 9.469,924 4.59,925 6.425,926 7.743,927 1.37,928 11.236,929 6.182,930 9.298,931 1.414,932 11.248,933 3.833,934 7.04,935 8.665,937 13.234,938 6.677,939 10.734,940 1.323,941 13.07,942 3.52,943 8.444,944 10.448,945 1.275,946 15.891,947 8.069,948 12.195,949 1.225,950 14.922,951 3.513,952 9.39,953 11.715,955 18.211,956 8.909,957 13.676,958 0.555,959 16.798,960 2.858,961 10.645,962 13.34,963 1.193,964 20.755,965 10.134,966 3.398,967 0.292,968 18.692,969 1.349,970 11.734,971 14.76,973 23.193,974 11.135,975 3.266,976 12.521,977 20.601,978 0.686,979 12.941,980 16.328,981 1.123,982 25.708,983 12.299,984 2.832,985 11.659,986 22.523,987 4.713,988 14.091,989 17.816,991 28.189,992 13.374,993 2.71,994 8.388,995 24.454,996 4.693,997 15.287,998 19.364,999 1.062,1000 30.697,1001 14.518,1002 2.411,1003 8.064,1004 26.394,1005 3.872,1006 16.465,1007 20.883,1009 33.195,1010 15.628,1011 2.294,1012 7.482,1013 28.34,1014 3.718,1015 17.662,1016 22.427,1017 1.01,1018 35.703,1019 16.767,1020 2.054,1021 6.607,1022 30.292,1023 3.167,1024 18.853,1025 23.959,1027 38.209,1028 17.894,1029 17548,1030 36267,1031 24.274,1032 37,1033 58.444,1034 61.185,1035 60.598,1036 57.791,1037 57.644,1038 79.476,1039 3.68,1040 174.322,1041 54.025,1042 5.705,1043 6.69,1044 6.83,1045 5.4,1046 5.398,1047 7.713,1048 1.96,1049 19.91,1050 5.173,1051 22.761,1052 1.538,1053 1.61,1054 1.595,1055 1.521,1056 1.517,1057 2.091,1058 0.097,1059 4.587,1060 1.422,1061 4.158,1062 4.182,1063 4.737,1064 4.085,1065 8.24,1066 4.079,1067 4.065,1068 4.044,1069 4.124,1070 4.033,1071 8.201,1072 3.963,1073 3.89,1074 3.906,1075 3.998,1076 3.817,1077 8.161,1078 3.818,1079 3.702,1080 3.711,1081 3.767,1082 3.574,1083 7.718,1084 3.554,1085 3.518,1086 3.537,1087 3.508,1088 3.432,1089 7.428,1090 3.401,1091 3.408,1092 3.444,1093 3.378,1094 3.226,1095 6.999,1096 3.231,1097 3.086,1098 3.113,1099 3.274,1100 2.913,1101 5.012,1102 2.927,1103 2.977,1104 3.012,1105 3.002,1106 2.805,1107 4.848,1108 2.79,1109 0.128,1110 0.123,1111 0.192,1112 0.114,1113 0.089,1114 4.861,1115 0.124,1116 4.69,1117 0.026,1118 7.311,1119 0.329,1120 4.318,1121 0.084,1122 3.398,1123 4.713,1124 0.98,1125 12.521,1126 3.173,1127 1.955,1128 1.96,1129 2.021,1130 2.046,1131 1.177,1132 2.055,1133 1.939,1134 1.933,1135 1.932,1136 2.025,1137 1.139,1138 2.034,1139 1.834,1140 1.817,1141 1.906,1142 1.925,1143 1.013,1144 1.925,1145 1.691,1146 1.654,1147 1.825,1148 1.85,1149 0.912,1150 1.845,1151 1.487,1152 1.486,1153 1.626,1154 1.701,1155 0.67,1156 1.698,1157 1.317,1158 1.291,1159 1.312,1160 1.491,1161 0.524,1162 1.521,1163 1.036,1164 1.006,1165 1.134,1166 1.225,1167 0.296,1168 1.23,1169 0.88,1170 0.861,1171 1.112,1172 1.114,1173 0.176,1174 1.087,1175 4.344,1177 5.707,1178 2.398,1179 7.251,1180 4.844,1181 8.877,1182 7.034,1183 10.547,1185 1.77,1186 5.828,1187 39.97,1191 1.779,1192 5.887,1199 36.808,1200 100.5,1201 197.48,1202 241.255,1203 276.539,1204 282.539,1205 282.539,1206 112.641,1207 8.063,1208 77.4,1209 85.78,1210 23,1211 12.868,1212 4.755,1213 4,1214 59.555,1215 167,1216 168,1217 0.17,1218 228.916,1219 408.13,1220 550.316,1221 40527,1222 7.8,1223 25.328,1224 0.724,1225 0.557,1226 23.467,1227 19.501,1228 16.547,1229 0.435,1230 0.311,1231 9.927,1232 14.701,1233 9.59,1234 7.895,1235 16.441,1236 11.819,1237 16.114,1238 0.288,1239 0.17,1240 16.198,1241 9.492,1242 13.052,1243 0.181,1244 0.092,1245 12.793,1246 6.609,1247 10.367,1248 0.113,1249 0.049,1250 11.24,1251 4.487,1252 8.317,1253 0.073,1254 0.026,1255 8.445,1256 2.949,1257 0.27,1258 116.698,1259 0.203,1260 32.335,1261 0.455,1262 188,1263 830.317,1264 266.424,1265 766.78,1266 990.8,1267 702,1268 222,1269 652.692,1270 305.923,1271 685.467,1272 1002.43,1273 641,1274 5.74}
{0 CHEMBL461571,1 1.772,2 12.27,3 8.278,4 68.517,5 131.566,6 9.171,7 0.55,8 4.182,9 4.259,10 3.898,11 3.739,12 5.44,13 3.756,14 4.721,15 4.834,16 4.379,17 4.116,18 6.428,19 4.128,20 4.908,21 5.041,22 4.357,23 4.272,24 6.19,25 4.252,26 5.017,27 5.171,28 4.361,29 4.321,30 6.308,31 4.29,32 5.082,33 5.257,34 4.394,35 4.357,36 6.376,37 4.332,38 5.127,39 5.302,40 4.428,41 4.402,42 6.394,43 4.356,44 5.133,45 5.325,46 4.412,47 4.352,48 6.349,49 4.308,50 5.12,51 5.323,52 4.381,53 4.238,54 6.405,55 4.209,56 0.285,57 0.943,58 7.375,59 5.559,60 42.612,61 5.484,62 1.403,63 1.838,64 18.004,65 9.201,66 192.454,67 9.569,68 1.02,69 1.625,70 24.737,71 11.304,72 101.323,73 11.902,74 1.047,75 1.903,76 28.046,77 12.873,78 123.984,79 13.943,80 1.223,81 2.147,82 30.809,83 13.983,84 165.004,85 15.128,86 1.299,87 2.186,88 32.133,89 14.509,90 160.686,91 16.303,92 1.134,93 2.156,94 33.825,95 15.143,96 137.764,97 17.909,98 1.555,99 2.118,100 39.649,101 14.58,102 199.385,103 15.914,104 91,105 59,106 0.285,107 0.617,108 0.77,109 0.87,110 0.876,111 0.876,112 3.642,113 0.861,114 -5.39,115 -5.27,116 -4.93,118 46.6,119 2,124 1,125 1,128 1,133 11,134 4,135 3,142 2,144 1,145 1,150 1,153 1,154 11,158 12,159 1,160 1,164 16,165 1,166 1,167 10,168 1,170 1,171 13,174 2,175 9,180 15,181 2,183 1,184 8,189 2,192 20,193 2,196 8,200 2,202 18,203 1,205 1,206 11,207 1,210 1,211 16,214 1,215 6,217 1,222 11,225 2,226 6,233 14,234 4,236 2926,237 23.825,238 23.825,239 23.825,240 23.825,241 23.825,242 20.912,243 23.771,244 13.612,245 24.611,246 19.718,247 19.718,248 19.718,249 19.718,250 19.718,251 15.238,252 28.463,253 6.5,254 21.184,255 4.086,256 2.024,257 1.074,258 0.453,259 0.418,260 0.418,261 4.328,262 1,267 953,268 4.796,270 85.773,271 341.289,274 159.194,277 1.806,278 65.71,280 0.5,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.74,288 84.333,289 454,290 4.806,291 4.437,292 7.138,293 4.375,294 3.397,295 4.763,296 4.032,297 12.413,298 3.335,299 4.215,300 3.774,301 6.457,302 3.897,303 3.132,304 3.783,305 2.423,306 10.201,307 2.793,308 4.146,309 3.687,310 6.274,311 3.797,312 2.821,313 3.681,314 0.922,315 9.274,316 2.649,317 4.086,318 3.241,319 5.84,320 3.72,321 2.762,322 3.406,323 0.522,324 8.133,325 2.488,326 3.815,327 2.946,328 5.693,329 3.526,330 2.544,331 3.121,332 0.394,333 7.497,334 2.414,335 3.773,336 2.901,337 5.56,338 3.327,339 2.391,340 3.022,342 7.126,343 2.162,344 3.648,345 2.68,346 5.443,347 3.212,348 2.281,349 2.961,351 6.79,352 2.101,353 3.408,354 2.518,355 5.105,356 2.994,357 2.048,358 2.714,360 6.046,361 1.886,362 3.242,363 2.102,364 4.988,365 2.821,366 1.857,367 2.497,369 5.712,370 1.771,371 3.184,372 2.01,373 4.909,374 2.747,375 1.794,376 2.434,378 5.53,379 1.673,380 2.692,381 1.931,382 4.13,383 2.225,384 1.238,385 1.77,387 3.108,388 1.217,389 2.678,390 1.799,391 3.706,392 2.174,393 1.166,394 1.68,395 2.743,396 1.148,397 2.5,398 1.252,399 3.545,400 2,401 1,402 1.5,403 2.275,404 1,405 2.33,406 1,407 3.428,408 1.97,409 1,410 1.213,411 2.272,412 0.947,413 2.247,414 0.992,415 3.414,416 1.775,417 0.779,418 1.082,419 2.05,420 0.765,421 17.138,422 0.463,423 1.333,424 0.036,425 47.5,426 1.284,427 24,428 0.649,429 23.5,430 0.635,431 34.401,432 0.93,433 40.462,434 0.698,435 45.721,436 1.236,437 9.802,438 0.265,439 7.623,440 0.206,441 0.208,442 0.029,443 0.373,446 3,447 0.654,448 0.942,449 0.567,450 0.97,451 0.639,452 0.864,453 0.393,454 0.645,455 0.574,456 0.83,457 0.31,458 0.837,459 0.723,460 0.713,461 0.938,462 0.939,463 0.552,464 0.995,465 0.759,466 0.866,467 0.919,468 1.054,469 0.747,470 1.105,471 0.874,472 0.91,473 0.775,474 0.918,475 0.917,476 0.972,477 0.693,478 0.772,479 0.809,480 0.999,481 0.765,482 1.092,483 0.643,484 0.967,485 0.7,486 1.07,487 0.585,488 1.067,489 1.051,490 0.939,491 0.898,492 0.857,493 1.013,494 0.898,495 10,496 0.453,497 4.222,498 3.674,499 2.668,500 1.806,501 1.265,502 0.972,503 0.7,504 0.476,505 18697,506 76063,507 1.985,508 36.2,510 14,513 1,514 3,515 3,517 1.789,518 1.798,519 3.546,520 -0.338,525 102.778,526 1.772,527 3.834,528 4.784,529 5.405,530 5.44,531 5.44,532 3.044,533 4.811,534 5.174,535 3.76,536 2504.42,537 9.155,538 40152.3,542 339.763,543 1.698,544 5.099,545 0.25,546 0.01,547 0.072,548 0.061,549 0.044,550 0.029,551 0.02,552 0.016,553 0.013,554 0.009,555 0.524,556 0.17,557 0.88,558 1.233,559 201.414,560 -0.049,561 -0.051,562 0.009,563 -0.019,564 -0.103,565 0.012,566 0.459,567 0.363,568 0.159,569 0.123,570 0.444,571 0.058,572 -0.042,573 0.001,574 -0.114,575 0.002,576 -0.002,577 -0.05,578 -0.061,579 -0.091,580 -0.124,581 -0.112,582 -0.039,583 -0.133,584 -0.089,585 0.001,586 -0.024,587 0.032,588 -0.088,589 0.02,590 0.014,591 0.051,592 -0.032,593 -0.053,594 -0.048,595 -0.092,596 0.043,597 -0.176,598 0.122,599 -0.114,600 0.034,601 -0.02,602 -0.099,603 -0.016,604 0.095,605 0.117,606 -0.103,607 0.138,608 6.13,609 6.468,610 0.568,611 45.061,612 1.038,613 1.129,614 4.161,615 17.317,616 0.691,617 3.714,618 4.094,619 4.317,620 4.615,621 4.883,622 5.03,623 5.252,624 5.451,625 5.565,626 5.638,627 7.488,628 0.688,629 531.94,630 3.714,631 5.293,632 6.142,633 7.048,634 7.923,635 8.836,636 9.727,637 10.645,638 11.547,639 12.47,640 1.7,645 1,650 2,651 11,656 7,657 1,658 22,660 1,668 2,669 1,670 58,671 24,672 3,673 40,675 61,676 27,677 20,678 7,679 11,680 1,681 4,682 5,683 1,685 2,691 1,693 22,694 5,696 2,698 2,701 2,705 3,707 21,708 8,709 1,710 10,711 1,714 1,717 0.75,718 5,727 1,730 1,731 3,734 1,739 1,746 1,748 3,752 2,753 1,754 3,756 37,759 1,760 1,762 2,764 1,766 1,772 4,773 8.6,775 1,776 2,778 2,779 20.583,780 11.138,781 7.847,782 3.316,785 3.864,786 1.471,787 0.966,788 7.65,789 12.071,790 3.989,791 4.637,792 5.212,793 5.847,794 6.436,795 6.807,796 7.296,797 7.771,798 8.108,799 8.474,800 1,801 60,802 14.439,803 6.828,804 8.352,805 24.784,806 20.21,807 2.852,808 105.528,812 235.422,813 170.874,814 1.899,815 39.149,816 114.973,817 44.88,819 170.874,820 389.544,821 46.779,822 17.65,823 2.106,824 104.239,825 99.017,826 94.896,827 4.901,828 235.422,829 48.966,830 235.422,831 172.773,832 159.853,833 39.149,835 200.109,836 150.286,837 44.88,838 9.817,839 21.655,840 141.3,841 39.149,843 280.302,844 116.872,845 210.022,848 245.239,849 39.167,850 123.788,852 199.002,853 235.422,854 161.752,855 210.022,857 0.6,858 0.327,859 0.169,860 0.098,861 28,862 15,863 0.131,864 8,865 1,866 1.095,867 4.444,868 367.768,869 0.095,870 21,871 183.995,874 26.743,875 10.584,876 6.161,877 0.82,878 159.853,879 16.856,884 2.288,885 1.71,886 42.683,887 607.197,888 53,890 24.611,893 -1.435,895 60.203,896 65.491,897 0.302,898 0.654,899 0.817,900 0.923,901 0.929,902 0.929,903 5.26,904 2.048,905 6.188,906 6.79,907 4.779,908 5.325,909 3.575,910 7.05,911 4.66,912 6.514,913 1.857,914 7.788,915 6.046,916 4.635,917 5.316,918 4.18,919 8.159,920 4.37,921 7.853,922 1.794,923 9.487,924 5.712,925 6.466,926 7.579,927 5.784,928 11.203,929 6.232,930 9.224,931 1.238,932 11.243,933 5.53,934 7.057,935 8.333,936 7.016,937 13.095,938 6.704,939 10.623,940 1.166,941 13.035,942 3.108,943 8.451,944 10.152,945 8.425,946 15.745,947 8.114,948 12.043,949 1,950 14.852,951 2.743,952 9.362,953 11.293,954 9.783,955 17.98,956 8.95,957 13.481,958 1,959 16.689,960 2.275,961 10.604,962 12.938,963 11.173,964 20.513,965 10.193,966 3.397,967 0.779,968 18.541,969 2.272,970 11.663,971 14.287,972 12.558,973 22.9,974 11.209,975 3.132,976 12.413,977 20.408,978 2.05,979 12.857,980 15.864,981 13.95,982 25.403,983 12.398,984 2.821,985 10.201,986 22.286,987 4.763,988 13.984,989 17.32,990 15.341,991 27.858,992 13.503,993 2.762,994 9.274,995 24.174,996 3.783,997 15.167,998 18.876,999 16.734,1000 30.358,1001 14.68,1002 2.544,1003 8.133,1004 26.072,1005 3.681,1006 16.329,1007 20.384,1008 18.127,1009 32.843,1010 15.83,1011 2.391,1012 7.497,1013 27.978,1014 3.406,1015 17.514,1016 21.935,1017 19.521,1018 35.347,1019 17.009,1020 2.281,1021 7.126,1022 29.89,1023 3.121,1024 18.695,1025 23.47,1026 20.915,1027 37.846,1028 18.182,1029 18381,1030 37295,1031 25.372,1032 40.085,1033 62.122,1034 62.327,1035 63.505,1036 61.436,1037 60.902,1038 79.828,1039 16.585,1040 183.631,1041 57.145,1042 5.637,1043 6.437,1044 6.689,1045 5.442,1046 5.397,1047 7.763,1048 5.712,1049 20.087,1050 5.335,1051 25.025,1052 1.553,1053 1.558,1054 1.588,1055 1.536,1056 1.523,1057 1.996,1058 0.415,1059 4.591,1060 1.429,1061 4.18,1062 4.205,1063 4.157,1064 4.094,1065 8.516,1066 4.105,1067 3.909,1068 3.927,1069 3.978,1070 3.845,1071 7.999,1072 3.841,1073 3.885,1074 3.904,1075 3.846,1076 3.825,1077 7.999,1078 3.821,1079 3.629,1080 3.652,1081 3.593,1082 3.426,1083 7.474,1084 3.446,1085 3.571,1086 3.594,1087 3.534,1088 3.394,1089 7.427,1090 3.41,1091 3.333,1092 3.379,1093 3.425,1094 3.099,1095 6.351,1096 3.11,1097 3.247,1098 3.27,1099 3.288,1100 2.923,1101 4.953,1102 3.018,1103 3.078,1104 3.145,1105 3.033,1106 2.918,1107 4.906,1108 2.907,1109 0.12,1110 0.111,1111 0.178,1112 0.109,1113 0.085,1114 4.806,1115 0.119,1116 4.437,1117 0.101,1118 7.138,1119 0.31,1120 4.375,1121 0.083,1122 3.397,1123 4.763,1124 4.032,1125 12.413,1126 3.335,1127 1.964,1128 1.948,1129 2.048,1130 2.064,1131 1.224,1132 2.059,1133 1.924,1134 1.902,1135 2.013,1136 2.008,1137 1.155,1138 2.012,1139 1.857,1140 1.838,1141 1.947,1142 1.946,1143 1.057,1144 1.948,1145 1.63,1146 1.592,1147 1.799,1148 1.808,1149 0.952,1150 1.803,1151 1.535,1152 1.501,1153 1.764,1154 1.74,1155 0.902,1156 1.745,1157 1.223,1158 1.198,1159 1.447,1160 1.56,1161 0.607,1162 1.444,1163 1.079,1164 1.011,1165 1.279,1166 1.348,1167 0.376,1168 1.358,1169 0.997,1170 0.986,1171 1.181,1172 1.285,1173 0.218,1174 1.255,1175 4.394,1177 5.759,1178 2.398,1179 7.295,1180 4.949,1181 8.91,1182 7.222,1183 10.571,1185 3.107,1186 5.951,1187 38.734,1189 9.113,1190 0.171,1192 9.557,1194 -1.074,1196 -4.88,1199 39.894,1200 102.778,1201 222.371,1202 277.444,1203 313.498,1204 315.498,1205 315.498,1206 107.024,1207 8.207,1208 77.76,1209 77.76,1210 23,1211 12.981,1212 4.644,1213 3.807,1214 64.332,1215 158,1216 180,1217 0.192,1218 243.764,1219 439.31,1220 586.545,1221 41019,1222 6.9,1223 26.905,1224 0.727,1225 0.552,1226 24.905,1227 20.431,1228 17.425,1229 0.436,1230 0.287,1231 10.927,1232 16.275,1233 10.652,1234 8.754,1235 16.567,1236 11.478,1237 17.342,1238 0.294,1239 0.149,1240 15.394,1241 8.791,1242 13.043,1243 0.176,1244 0.081,1245 13.008,1246 6.015,1247 10.804,1248 0.108,1249 0.042,1250 10.29,1251 4.17,1252 8.934,1253 0.068,1254 0.023,1255 8.747,1256 2.975,1257 0.296,1258 113.82,1259 0.199,1260 33.276,1261 0.541,1262 198,1263 847.274,1264 250.055,1265 754.422,1266 975.99,1267 696,1268 232,1269 664.323,1270 267.496,1271 657.639,1272 987.14,1273 616,1274 5.564}
{0 CHEMBL467114,1 1.784,2 10.852,3 5.795,4 33.587,5 100.503,6 9.909,7 0.621,8 3.831,9 3.901,10 3.62,11 3.465,12 5.112,13 3.46,14 4.302,15 4.399,16 4.015,17 3.823,18 5.693,19 3.804,20 4.551,21 4.688,22 4.075,23 3.919,24 5.88,25 3.879,26 4.579,27 4.742,28 3.987,29 3.814,30 5.923,31 3.771,32 4.479,33 4.653,34 3.873,35 3.782,36 5.672,37 3.725,38 4.482,39 4.653,40 3.945,41 3.817,42 5.721,43 3.764,44 4.437,45 4.587,46 3.944,47 3.836,48 5.722,49 3.779,50 4.477,51 4.647,52 3.951,53 3.757,54 5.854,55 3.688,56 0.159,57 0.55,58 4.025,59 3.464,60 19.603,61 3.522,62 0.374,63 0.874,64 8.519,65 5.812,66 45.309,67 6.048,68 0.593,69 1.127,70 18.748,71 7.872,72 64.247,73 8.11,74 0.896,75 1.136,76 21.813,77 8.556,78 96.655,79 8.399,80 0.611,81 0.978,82 19.887,83 7.848,84 68.968,85 8.779,86 0.637,87 0.976,88 20.954,89 7.852,90 77.464,91 8.589,92 0.454,93 1.017,94 16.857,95 7.383,96 47.288,97 7.985,98 0.743,99 1.052,100 19.08,101 8.041,102 87.338,103 8.571,104 27,105 40,106 0.312,107 0.633,108 0.771,109 0.901,110 0.918,111 0.918,112 3.34,113 0.902,114 -5.28,115 -5.17,116 -4.83,118 48.8,120 1,124 1,133 9,134 2,135 4,137 2,145 1,150 1,153 1,154 7,158 6,159 1,160 1,164 12,165 1,166 1,167 7,168 1,170 1,171 9,172 1,175 4,179 1,180 8,181 2,183 1,184 5,189 2,192 8,193 1,196 5,200 1,202 11,203 1,206 3,207 1,210 1,211 11,212 1,214 1,215 2,217 1,219 1,222 7,223 2,226 4,230 2,233 9,234 1,236 1223,237 17.809,238 17.809,239 17.809,240 17.809,241 17.809,242 15.336,243 19.092,244 10.468,245 18.305,246 14.299,247 14.299,248 14.299,249 14.299,250 14.299,251 10.63,252 21.907,253 4.986,254 15.235,255 3.573,256 1.733,257 0.94,258 0.195,259 0.098,260 0.098,261 4.019,262 2,266 1,267 615,268 3.162,271 272.699,277 1.657,278 40.17,280 1,281 1,282 1,283 0.4,285 1,286 1,287 0.77,288 59.667,289 293,290 4.306,291 3.58,292 6.208,293 3.919,294 2.956,295 3.941,296 1.437,297 9.325,298 2.845,299 4.224,300 3.314,301 6.053,302 3.803,303 2.846,304 3.873,305 1.151,306 8.692,307 2.711,308 4.156,309 3.207,310 5.965,311 3.737,312 2.768,313 3.759,314 0.68,315 8.411,316 2.67,317 3.616,318 2.808,319 5.233,320 3.232,321 2.262,322 2.937,324 6.512,325 2.184,326 3.491,327 2.771,328 4.977,329 3.035,330 2.163,331 2.802,333 5.888,334 1.804,335 3.421,336 2.633,337 4.942,338 2.942,339 2.064,340 2.731,342 5.744,343 1.719,344 2.94,345 2.16,346 4.351,347 2.534,348 1.574,349 2.078,351 4.161,352 1.502,353 2.844,354 1.916,355 4.154,356 2.402,357 1.445,358 1.973,360 3.717,361 1.36,362 2.748,363 1.611,364 3.755,365 2.268,366 1.276,367 1.835,369 2.972,370 1.259,371 2.53,372 1.198,373 3.436,374 1.975,375 1,376 1.475,378 2.323,379 0.962,380 2.064,381 1.164,382 3.305,383 1.736,384 0.841,385 0.997,387 1.93,388 0.725,389 1.515,390 0.731,391 2.961,392 1.183,393 0.259,394 0.312,395 0.628,396 0.222,397 1.189,398 0.436,399 2.589,400 0.841,401 -0.081,402 -0.099,403 -0.21,404 -0.071,405 0.957,406 0.336,407 2.359,408 0.514,409 -0.326,410 -0.395,411 -0.757,412 -0.222,413 0.794,414 0.267,415 2.343,416 0.32,417 -0.515,418 -0.621,419 -1.242,420 -0.359,421 13.114,422 0.486,423 0.753,424 0.028,425 36.75,426 1.361,427 20,428 0.741,429 16.75,430 0.62,431 20.542,432 0.761,433 28.286,434 0.69,435 27.957,436 1.035,437 7.583,438 0.281,439 5.336,440 0.198,441 0.182,443 0.343,445 1,447 0.678,448 0.921,449 0.517,450 0.801,451 0.653,452 0.765,453 0.71,454 1.067,455 0.627,456 0.907,457 0.52,458 0.905,459 0.987,460 1.1,461 1.061,462 1.105,463 0.852,464 1.109,465 1.15,466 1.037,467 0.931,468 1.003,469 1.028,470 1.06,471 0.779,472 0.833,473 0.792,474 0.952,475 0.727,476 0.986,477 0.827,478 0.793,479 0.812,480 0.853,481 0.853,482 0.877,483 0.909,484 1.116,485 0.996,486 1.09,487 0.847,488 1.096,489 1.055,490 1.129,491 0.944,492 0.941,493 1.214,494 1.022,495 6.5,496 0.173,497 3.111,498 1.625,499 1.449,500 0.819,501 0.507,502 0.467,503 0.464,504 0.151,505 8619,506 35159,507 2.014,508 34.1,510 11,513 1,514 2,517 1.703,518 1.862,519 3.408,520 -0.309,525 73.163,526 1.784,527 3.624,528 4.418,529 5.162,530 5.26,531 5.26,532 2.894,533 4.607,534 4.727,535 3.577,536 1255.59,537 8.217,538 16449.9,542 219.66,543 1.487,544 4.672,545 0.224,546 0.01,547 0.078,548 0.041,549 0.043,550 0.025,551 0.014,552 0.013,553 0.015,554 0.006,555 0.469,556 0.33,557 1,558 0.803,559 134.455,560 -0.059,561 -0.017,562 -0.005,563 0.021,564 -0.085,565 0.028,566 0.022,567 -0.152,568 0.017,569 -0.044,570 0.11,571 -0.056,572 -0.094,573 -0.104,574 -0.175,575 -0.179,576 -0.051,577 -0.195,578 -0.049,579 0.038,580 -0.065,581 -0.034,582 -0.04,583 -0.088,584 0.019,585 0.008,586 0.03,587 -0.002,588 -0.017,589 0.032,590 -0.014,591 0.046,592 0.062,593 0.107,594 -0.061,595 0.14,596 -0.098,597 -0.119,598 -0.11,599 -0.141,600 -0.068,601 -0.132,603 -0.038,604 0.024,605 0.064,606 -0.083,607 -0.007,608 2.766,609 5.934,610 0.667,611 24.307,612 1.032,613 1.114,614 4.051,615 16.41,616 0.734,617 3.401,618 3.714,619 3.912,620 4.111,621 4.331,622 4.317,623 4.344,624 4.466,625 4.585,626 4.575,627 6.539,628 0.718,629 406.25,630 3.401,631 4.934,632 5.759,633 6.619,634 7.46,635 8.32,636 9.167,637 10.027,638 10.877,639 11.738,640 2.4,647 1,651 9,652 1,656 8,658 18,663 1,668 1,669 3,670 41,671 19,672 2,673 29,675 43,676 20,677 17,678 6,679 6,680 1,681 3,682 3,683 2,691 1,693 18,694 2,696 1,698 1,701 1,705 1,707 14,708 5,709 1,710 7,711 2,714 1,717 1,718 3,726 1,731 3,746 1,748 3,753 2,754 1,756 27,759 1,760 2,762 1,772 3,773 7.3,775 1,776 1,778 1,779 14.5,780 7.412,781 5.917,782 2.264,785 3.533,786 1.493,787 0.961,788 6.194,789 10.706,790 3.689,791 4.297,792 4.81,793 5.318,794 5.843,795 5.901,796 6.108,797 6.467,798 6.891,799 7.2,800 1,801 40,802 9.971,803 4.291,804 8.156,805 18.206,806 14.566,807 2.656,808 71.722,812 153.024,813 126.573,814 16.786,815 78.297,816 78.828,817 14.96,819 126.573,820 310.15,821 31.746,823 7.127,824 85.286,825 85.524,826 44.25,827 14.96,828 153.024,829 78.297,830 153.024,831 143.359,832 93.788,833 78.297,835 167.984,836 78.828,839 12.64,840 113.933,841 95.083,843 167.984,844 95.614,845 204.871,848 153.024,849 41.287,850 85.286,852 188.871,853 153.024,854 110.574,855 204.871,857 0.585,858 0.328,859 0.166,860 0.094,861 18,862 9,863 0.14,864 6,866 1,867 3.85,868 221.159,870 18,871 128.382,874 19.463,875 8.593,876 5.118,878 110.574,879 14.208,880 4.108,884 2.473,886 42.683,887 468.469,888 39,890 11.089,893 -1.099,895 42.313,896 45.676,897 0.333,898 0.677,899 0.825,900 0.964,901 0.982,902 0.982,903 4.909,904 1.445,905 5.746,906 4.161,907 4.394,908 4.984,909 2.164,910 6.509,911 4.274,912 6.126,913 1.276,914 7.283,915 3.717,916 4.007,917 4.796,919 7.302,920 3.77,921 7.429,922 1,923 8.912,924 2.972,925 5.953,926 7.159,927 2.599,928 10.332,929 5.749,930 8.762,931 0.841,932 10.593,933 2.323,934 6.312,935 7.7,937 11.893,938 6.013,939 10.119,940 0.259,941 12.306,942 1.93,943 7.762,944 9.578,945 3.154,946 14.434,947 7.485,948 11.494,949 -0.081,950 14.04,951 0.628,952 8.471,953 10.473,955 16.332,956 8.121,957 12.883,958 -0.326,959 15.79,960 -0.21,961 9.708,962 12.124,963 3.774,964 18.679,965 9.36,966 2.956,967 -0.515,968 17.552,969 -0.757,970 10.592,971 13.212,973 20.736,974 10.184,975 2.846,976 9.325,977 19.322,978 -1.242,979 11.731,980 14.74,981 4.432,982 23,983 11.31,984 2.768,985 8.692,986 21.1,987 3.941,988 12.703,989 15.938,991 25.133,992 12.23,993 2.262,994 8.411,995 22.883,996 3.873,997 13.798,998 17.396,999 5.115,1000 27.362,1001 13.302,1002 2.163,1003 6.512,1004 24.671,1005 3.759,1006 14.814,1007 18.658,1009 29.532,1010 14.271,1011 2.064,1012 5.888,1013 26.462,1014 2.937,1015 15.89,1016 20.075,1017 5.813,1018 31.747,1019 15.316,1020 1.574,1021 5.744,1022 28.257,1023 2.802,1024 16.929,1025 21.375,1027 33.936,1028 16.311,1029 8477,1030 17241,1031 18.898,1032 30.114,1033 43.433,1034 44.615,1035 44.474,1036 43.268,1037 42.906,1038 57.427,1039 6.535,1040 120.61,1041 39.926,1042 5.16,1043 5.58,1044 5.755,1045 4.981,1046 4.956,1047 6.941,1048 2.873,1049 15.719,1050 4.845,1051 15.333,1052 1.498,1053 1.538,1054 1.534,1055 1.492,1056 1.48,1057 1.98,1058 0.225,1059 4.159,1060 1.377,1061 4.002,1062 4.023,1063 4.047,1064 3.926,1065 8.201,1066 3.927,1067 3.906,1068 3.929,1069 3.989,1070 3.842,1071 7.475,1072 3.839,1073 3.822,1074 3.842,1075 3.839,1076 3.735,1077 6.351,1078 3.74,1079 3.324,1080 3.326,1081 3.485,1082 3.144,1083 4.979,1084 3.156,1085 3.241,1086 3.268,1087 3.363,1088 3.079,1089 4.89,1090 3.079,1091 3.107,1092 3.149,1093 3.228,1094 2.921,1095 4.805,1096 2.94,1097 2.901,1098 2.957,1099 2.946,1100 2.762,1101 4.586,1102 2.749,1103 2.847,1104 2.877,1105 2.821,1106 2.733,1107 4.208,1108 2.732,1109 0.148,1110 0.123,1111 0.214,1112 0.135,1113 0.102,1114 4.306,1115 0.136,1116 3.58,1117 0.05,1118 6.208,1119 0.322,1120 3.919,1121 0.098,1122 2.956,1123 3.941,1124 1.437,1125 9.325,1126 2.845,1127 1.946,1128 1.927,1129 2.033,1130 2.045,1131 1.209,1132 2.044,1133 1.883,1134 1.863,1135 1.964,1136 1.974,1137 1.116,1138 1.975,1139 1.791,1140 1.767,1141 1.879,1142 1.891,1143 0.946,1144 1.892,1145 1.238,1146 1.213,1147 1.447,1148 1.463,1149 0.622,1150 1.432,1151 1.177,1152 1.143,1153 1.4,1154 1.392,1155 0.584,1156 1.401,1157 1.039,1158 1.015,1159 1.198,1160 1.289,1161 0.156,1162 1.287,1163 0.86,1164 0.805,1165 1.113,1166 1.068,1167 0.154,1168 1.079,1169 0.816,1170 0.783,1171 1.045,1172 0.966,1173 0.105,1174 1.004,1175 4.078,1177 5.389,1179 6.884,1181 8.464,1183 10.084,1186 11.838,1187 13.934,1189 9.077,1190 0.334,1192 5.763,1199 29.419,1200 73.163,1201 148.601,1202 181.13,1203 211.66,1204 215.66,1205 215.66,1206 62.839,1207 7.173,1208 59.42,1209 59.42,1210 18,1211 12.29,1212 4.322,1213 3.459,1214 46.865,1215 103,1216 108,1217 0.215,1218 187.81,1219 332.24,1220 450.017,1221 12908,1222 7.3,1223 19.389,1224 0.718,1225 0.573,1226 19.518,1227 15.467,1228 12.919,1229 0.445,1230 0.301,1231 7.922,1232 11.859,1233 7.702,1234 6.326,1235 13.085,1236 8.721,1237 11.944,1238 0.299,1239 0.166,1240 12.231,1241 6.645,1242 9.322,1243 0.19,1244 0.088,1245 9.436,1246 4.288,1247 7.396,1248 0.123,1249 0.048,1250 7.279,1251 2.867,1252 5.956,1253 0.079,1254 0.026,1255 6.363,1256 1.976,1257 0.338,1258 87.2,1259 0.23,1260 25.985,1261 0.59,1262 138,1263 531.784,1264 182.895,1265 543.961,1266 696.16,1267 502,1268 158,1269 441.997,1270 190.594,1271 460.952,1272 668.83,1273 432,1274 5}
{0 CHEMBL467510,1 1.527,2 9.333,3 6.017,4 36.209,5 105.2,6 8.125,7 0.621,8 3.933,9 4.025,10 3.565,11 3.547,12 5.105,13 3.516,14 4.424,15 4.562,16 3.931,17 3.912,18 5.643,19 3.863,20 4.679,21 4.853,22 4.016,23 4.044,24 5.828,25 3.972,26 4.734,27 4.934,28 3.991,29 4.034,30 5.797,31 3.968,32 4.65,33 4.795,34 4.11,35 4.109,36 5.812,37 4.048,38 4.801,39 4.975,40 4.118,41 4.194,42 5.903,43 4.094,44 4.854,45 5.056,46 4.027,47 4.132,48 5.947,49 4.005,50 4.755,51 4.982,52 3.84,53 3.944,54 5.839,55 3.806,56 0.037,57 0.573,58 8.233,59 4.396,60 10.02,61 5.314,62 0.198,63 0.926,64 15.892,65 7.312,66 40.308,67 9.109,68 0.301,69 1.178,70 24.408,71 9.548,72 44.386,73 12.03,74 0.378,75 1.221,76 27.197,77 10.052,78 47.994,79 12.412,80 0.225,81 1.157,82 21.011,83 9.237,84 31.659,85 11.4,86 0.252,87 1.323,88 26.715,89 11.172,90 38.988,91 14.143,92 0.318,93 1.343,94 33.688,95 12.137,96 51.859,97 15.477,98 0.322,99 1.201,100 31.845,101 11.012,102 56.464,103 14.041,104 32,105 40,106 0.26,107 0.569,108 0.722,109 0.835,110 0.866,111 0.874,112 3.341,113 0.937,114 -5.39,115 -5.27,116 -4.92,118 46.8,119 2,121 1,124 1,133 10,134 3,135 2,137 2,145 1,150 1,153 1,154 13,158 6,159 1,160 1,164 16,165 1,166 1,167 9,168 1,170 1,171 15,172 1,175 6,179 1,180 15,181 2,184 7,189 2,192 21,193 2,195 1,196 5,200 2,202 19,203 3,206 6,210 3,211 14,212 2,215 4,216 1,219 2,222 11,223 1,225 1,226 3,228 1,230 1,233 7,234 2,236 1174,237 17.913,238 17.913,239 17.913,240 17.913,241 17.913,242 15.644,243 9.271,244 10.669,245 18.219,246 14.32,247 14.32,248 14.32,249 14.32,250 14.32,251 10.915,252 8.106,253 5.068,254 14.883,255 4.028,256 2.207,257 1.308,258 0.644,259 0.458,260 0.415,261 4.02,262 1,266 1,267 523,268 3.391,271 245.987,277 1.407,278 27.225,280 0.75,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.86,288 57.833,289 252,290 4.544,291 3.579,292 6.8,293 4.176,294 3.19,295 4.252,296 1.437,297 11.24,298 3.146,299 4.221,300 3.277,301 6.168,302 3.811,303 2.844,304 3.848,305 0.86,306 9.09,307 2.745,308 3.972,309 2.918,310 5.882,311 3.575,312 2.599,313 3.493,315 8.047,316 2.523,317 3.524,318 2.758,319 5.187,320 3.197,321 2.242,322 2.863,324 6.06,325 2.159,326 3.416,327 2.372,328 4.968,329 3.065,330 2.133,331 2.711,333 5.851,334 1.986,335 3.174,336 2.153,337 4.633,338 2.895,339 1.954,340 2.247,342 5.032,343 1.721,344 2.969,345 1.806,346 4.334,347 2.551,348 1.564,349 2.109,351 3.947,352 1.537,353 2.911,354 1.581,355 3.861,356 2.425,357 1.424,358 2.057,360 3.142,361 1.419,362 2.534,363 1.226,364 3.654,365 2,366 1,367 1.5,369 2.544,370 1,371 2.5,372 1.132,373 3.557,374 1.996,375 1,376 1.5,378 2.489,379 0.989,380 2.5,381 1,382 3.434,383 1.966,384 1,385 1.473,387 2.32,388 0.958,389 1.821,390 1,391 3.077,392 1.559,393 0.683,394 0.753,395 1.517,396 0.58,397 1.15,398 0.443,399 2.645,400 0.818,401 -0.1,402 -0.118,403 -0.233,404 -0.08,405 0.993,406 0.435,407 2.386,408 0.572,409 -0.35,410 -0.45,411 -0.877,412 -0.3,413 0.778,414 -0.187,415 2.335,416 0.307,417 -0.665,418 -0.888,419 -1.66,420 -0.607,421 13.114,422 0.486,423 0.72,424 0.027,425 36.25,426 1.343,427 20,428 0.741,429 16.25,430 0.602,431 22.067,432 0.817,433 28.286,434 0.602,435 27.932,436 1.035,437 7.117,438 0.264,439 5.836,440 0.216,441 0.182,443 0.343,447 0.74,448 1.069,449 0.639,450 0.921,451 0.742,452 0.873,453 0.695,454 1.081,455 0.677,456 0.913,457 0.446,458 0.888,459 0.867,460 1.031,461 0.919,462 0.994,463 0.637,464 0.967,465 1.2,466 0.765,467 0.788,468 0.696,469 0.815,470 0.721,471 0.774,472 1.091,473 0.774,474 1.015,475 0.721,476 0.99,477 0.789,478 1.106,479 0.964,480 1.069,481 0.712,482 1.092,483 0.898,484 1.133,485 1.209,486 1.194,487 0.857,488 1.162,489 1.046,490 1.025,491 1.163,492 1.066,493 1.067,494 1.057,495 5.5,496 0.095,497 3.111,498 1.688,499 1.378,500 1.132,501 0.711,502 0.545,503 0.349,504 0.217,505 7523,506 22915,507 2.014,508 42.6,509 6,510 12,513 1,515 1,517 1.709,518 1.862,519 3.217,520 -0.382,525 71.765,526 1.527,527 3.348,528 4.246,529 4.911,530 5.097,531 5.139,532 2.672,533 4.31,534 4.724,535 3.362,536 1180.21,537 8.249,538 14864.4,542 261.066,543 1.487,544 4.672,545 0.19,546 0.008,547 0.078,548 0.04,549 0.033,550 0.025,551 0.016,552 0.015,553 0.012,554 0.011,555 0.427,556 0.33,557 1,558 1.257,559 131.559,560 -0.046,561 -0.02,562 0.01,563 0.017,564 -0.105,565 0.026,566 0.106,567 -0.052,568 0.075,569 0.034,570 0.209,571 0.041,572 0.037,573 -0.011,574 -0.016,575 -0.035,576 0.076,577 -0.017,578 -0.136,579 0.233,580 0.092,581 0.263,582 -0.043,583 0.243,584 0.028,585 -0.068,586 0.019,587 -0.064,588 -0.002,589 -0.055,590 -0.014,591 -0.11,592 -0.051,593 -0.093,594 -0.026,595 -0.123,596 -0.027,597 -0.175,598 -0.096,599 -0.187,600 -0.023,601 -0.159,602 -0.067,603 -0.078,604 -0.017,605 -0.057,606 -0.037,607 -0.041,608 2.724,609 4.287,610 0.667,611 22.535,612 1.005,613 1.111,614 4.158,615 17.288,616 0.699,617 3.401,618 3.714,619 3.951,620 4.22,621 4.511,622 4.564,623 4.682,624 4.745,625 4.754,626 4.71,627 5.789,628 0.665,629 381.88,630 3.401,631 4.934,632 5.771,633 6.648,634 7.515,635 8.399,636 9.279,637 10.167,638 11.053,639 11.943,640 2.1,647 1,651 10,652 1,656 7,658 18,663 1,668 1,669 1,670 47,671 19,672 2,673 29,675 49,676 22,677 17,678 5,679 7,680 1,681 3,682 3,683 1,685 2,693 18,694 4,695 1,696 1,698 1,701 1,707 20,708 4,709 1,710 5,711 1,714 1,717 1,718 3,726 1,731 3,746 1,748 3,752 2,753 1,756 27,759 1,760 1,762 1,764 1,772 1,773 6.4,775 1,776 1,778 1,779 14.5,780 9.043,781 5.972,782 2.832,785 3.821,786 1.524,787 0.947,788 6.022,789 11.108,790 3.689,791 4.284,792 4.862,793 5.463,794 6.079,795 6.336,796 6.781,797 7.14,798 7.491,799 7.768,800 1,801 42,802 9.954,803 4.18,804 7.862,805 18.756,806 15.05,807 2.362,808 63.778,812 223.651,813 141.729,814 16.786,815 39.149,816 78.828,819 141.729,820 341.628,821 16.786,822 17.65,823 4.592,824 94.762,825 85.524,826 34.814,828 223.651,829 39.149,830 223.651,831 158.515,832 78.828,833 39.149,835 211.88,836 90.599,839 27.756,840 113.973,841 55.934,843 223.651,844 95.614,845 180.878,848 223.651,849 29.317,850 112.413,852 134.762,853 223.651,854 95.614,855 180.878,857 0.578,858 0.322,859 0.175,860 0.109,861 18,862 9,863 0.122,864 6,866 1,867 3.701,868 231.605,870 18,871 126.382,874 19.248,875 8.447,876 4.61,878 95.614,879 18.169,880 4.282,884 4.469,886 42.683,887 500.143,888 39,890 11.287,893 -1.057,895 47.243,896 52.223,897 0.275,898 0.603,899 0.764,900 0.884,901 0.918,902 0.925,903 4.909,904 1.424,905 5.759,906 3.947,907 4.394,908 4.97,909 1.888,910 6.564,911 4.323,912 6.12,913 1,914 7.315,915 3.142,916 4.007,917 4.732,919 7.489,920 3.887,921 7.421,922 1,923 8.975,924 2.544,925 5.974,926 7.15,927 2.362,928 10.596,929 5.852,930 8.758,931 1,932 10.696,933 2.489,934 6.382,935 7.71,937 12.377,938 6.228,939 10.127,940 0.683,941 12.459,942 2.32,943 7.847,944 9.62,945 2.965,946 15.018,947 7.69,948 11.52,949 -0.1,950 14.251,951 1.517,952 8.631,953 10.578,955 17.156,956 8.454,957 12.932,958 -0.35,959 16.064,960 -0.233,961 9.891,962 12.249,963 3.635,964 19.64,965 9.708,966 3.19,967 -0.665,968 17.894,969 -0.877,970 10.859,971 13.42,973 21.93,974 10.661,975 2.844,976 11.24,977 19.736,978 -1.66,979 12.037,980 14.969,981 4.335,982 24.362,983 11.831,984 2.599,985 9.09,986 21.589,987 4.252,988 13.094,989 16.257,991 26.719,992 12.876,993 2.242,994 8.047,995 23.451,996 3.848,997 14.242,998 17.745,999 5.05,1000 29.135,1001 14.015,1002 2.133,1003 6.06,1004 25.319,1005 3.493,1006 15.343,1007 19.097,1009 31.522,1010 15.104,1011 1.954,1012 5.851,1013 27.194,1014 2.863,1015 16.483,1016 20.555,1017 5.77,1018 33.935,1019 16.234,1020 1.564,1021 5.032,1022 29.073,1023 2.711,1024 17.606,1025 21.943,1027 36.337,1028 17.346,1029 7543,1030 13327,1031 18.898,1032 32.841,1033 43.896,1034 45.047,1035 44.907,1036 43.427,1037 43.266,1038 57.61,1039 4.593,1040 122.56,1041 41.522,1042 5.383,1043 5.579,1044 6.479,1045 5.219,1046 5.19,1047 7.252,1048 2.873,1049 18.65,1050 5.146,1051 15.193,1052 1.514,1053 1.553,1054 1.549,1055 1.497,1056 1.492,1057 1.987,1058 0.158,1059 4.226,1060 1.432,1061 4.053,1062 4.072,1063 4.065,1064 4.001,1065 7.475,1066 4.001,1067 3.864,1068 3.886,1069 3.893,1070 3.778,1071 6.351,1072 3.782,1073 3.722,1074 3.761,1075 3.69,1076 3.633,1077 4.992,1078 3.631,1079 3.657,1080 3.708,1081 3.543,1082 3.534,1083 4.855,1084 3.516,1085 3.274,1086 3.262,1087 3.294,1088 3.037,1089 4.632,1090 3.076,1091 3.05,1092 3.087,1093 3.223,1094 2.905,1095 4.569,1096 2.899,1097 2.95,1098 3.009,1099 2.839,1100 2.819,1101 4.177,1102 2.816,1103 2.903,1104 2.998,1105 2.784,1106 2.784,1107 3.88,1108 2.781,1109 0.157,1110 0.123,1111 0.234,1112 0.144,1113 0.11,1114 4.544,1115 0.147,1116 3.579,1117 0.05,1118 6.8,1119 0.388,1120 4.176,1121 0.108,1122 3.19,1123 4.252,1124 1.437,1125 11.24,1126 3.146,1127 2.015,1128 1.999,1129 2.086,1130 2.083,1131 1.239,1132 2.085,1133 1.832,1134 1.81,1135 1.969,1136 1.948,1137 1.198,1138 1.949,1139 1.709,1140 1.675,1141 1.901,1142 1.862,1143 0.991,1144 1.886,1145 1.67,1146 1.615,1147 1.816,1148 1.784,1149 0.868,1150 1.801,1151 1.123,1152 1.124,1153 1.417,1154 1.418,1155 0.469,1156 1.35,1157 0.984,1158 0.949,1159 1.31,1160 1.263,1161 0.458,1162 1.308,1163 0.953,1164 0.901,1165 1.241,1166 1.239,1167 0.304,1168 1.278,1169 0.934,1170 0.857,1171 1.188,1172 1.096,1173 0.268,1174 1.129,1175 4.078,1177 5.389,1179 6.897,1181 8.498,1183 10.153,1185 4.176,1186 6.246,1189 9.245,1190 0.587,1192 5.988,1194 0.387,1199 31.261,1200 71.765,1201 157.343,1202 199.582,1203 230.801,1204 239.556,1205 241.556,1206 51.963,1207 7.288,1208 59.42,1209 59.42,1210 18,1211 12.473,1212 4.322,1213 3.459,1214 46.516,1215 90,1216 96,1217 0.25,1218 197.464,1219 345.56,1220 473.571,1221 14026,1222 2.1,1223 19.389,1224 0.718,1225 0.589,1226 19.889,1227 15.903,1228 12.952,1229 0.447,1230 0.312,1231 8.631,1232 12.315,1233 8.314,1234 6.971,1235 13.241,1236 9.057,1237 11.856,1238 0.296,1239 0.176,1240 12.265,1241 7.041,1242 9.154,1243 0.179,1244 0.083,1245 9.416,1246 4.21,1247 7.484,1248 0.112,1249 0.043,1250 7.703,1251 2.912,1252 6.62,1253 0.074,1254 0.024,1255 6.911,1256 2.15,1257 0.379,1258 83.361,1259 0.23,1260 25.385,1261 0.726,1262 138,1263 417.469,1264 163.544,1265 434.842,1266 579.43,1267 404,1268 160,1269 397.801,1270 179.509,1271 414.813,1272 606.32,1273 390,1274 5}
{0 CHEMBL472754,1 2.013,2 13.917,3 6.203,4 38.481,5 126.168,6 10.567,7 0.564,8 4.08,9 4.142,10 4.027,11 3.692,12 5.408,13 3.702,14 4.581,15 4.671,16 4.39,17 4.056,18 6.154,19 4.077,20 4.841,21 4.95,22 4.567,23 4.158,24 6.438,25 4.182,26 4.874,27 5,28 4.483,29 4.092,30 6.651,31 4.116,32 4.775,33 4.916,34 4.291,35 4.048,36 6.421,37 4.038,38 4.781,39 4.934,40 4.282,41 4.068,42 6.378,43 4.044,44 4.752,45 4.911,46 4.311,47 4.067,48 6.237,49 4.03,50 4.755,51 4.911,52 4.319,53 3.995,54 6.27,55 3.968,56 0.366,57 0.991,58 5.133,59 4.876,60 58.342,61 3.846,62 0.832,63 1.561,64 9.722,65 7.851,66 110.221,67 6.633,68 1.484,69 2.067,70 20.943,71 11.247,72 228.568,73 8.341,74 1.828,75 1.984,76 23.937,77 11.219,78 305.697,79 9.018,80 1.516,81 1.703,82 20.52,83 10.132,84 230.999,85 9.28,86 1.436,87 1.567,88 18.876,89 10.096,90 222.48,91 10.076,92 1.202,93 1.563,94 21.326,95 10.325,96 173.526,97 10.562,98 1.366,99 1.544,100 21.567,101 10.002,102 205.967,103 8.817,104 82,105 58,106 0.33,107 0.644,108 0.785,109 0.894,110 0.907,111 0.907,112 3.616,113 0.917,114 -5.17,115 -5.06,116 -4.74,118 47.1,123 1,129 2,133 8,134 2,135 8,141 1,142 1,145 1,154 6,157 1,158 8,160 3,162 1,164 7,167 8,170 2,171 7,174 3,175 10,179 2,180 8,184 5,189 1,192 10,195 1,196 5,198 1,202 11,205 1,206 5,208 1,210 2,211 8,214 2,215 2,219 1,222 5,225 2,226 7,230 2,233 2,236 2492,237 23.195,238 23.195,239 23.195,240 23.195,241 23.195,242 19.767,243 20.425,244 13.121,245 23.864,246 19.177,247 19.177,248 19.177,249 19.177,250 19.177,251 13.918,252 18.837,253 6.198,254 20.461,255 3.66,256 1.741,257 0.878,258 0.211,259 0.132,260 0.132,261 4.3,262 1,266 1,267 1066,268 4.359,270 87.338,271 353.757,274 163.575,277 1.981,278 83.712,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 83.333,289 501,290 4.897,291 4.719,292 7.405,293 4.364,294 3.446,295 4.756,296 0.98,297 12.904,298 3.174,299 4.71,300 3.438,301 6.922,302 4.237,303 3.266,304 4.694,305 0.86,306 11.659,307 3.131,308 4.218,309 3.38,310 5.982,311 3.746,312 2.832,313 3.872,315 8.388,316 2.573,317 4.166,318 3.285,319 5.96,320 3.694,321 2.755,322 3.802,324 8.382,325 2.559,326 3.747,327 3.273,328 5.695,329 3.324,330 2.411,331 3.167,333 7.482,334 2.28,335 3.727,336 2.829,337 5.465,338 3.297,339 2.311,340 3.056,342 6.688,343 2.167,344 3.481,345 2.697,346 5.336,347 3.043,348 2.097,349 2.811,351 6.482,352 1.992,353 3.418,354 2.272,355 5.073,356 2.959,357 2.023,358 2.735,360 5.936,361 1.858,362 3.362,363 2.123,364 4.899,365 2.912,366 1.935,367 2.647,369 5.483,370 1.844,371 2.907,372 2.103,373 4.41,374 2.422,375 1.474,376 2.057,378 4.155,379 1.38,380 2.82,381 2.075,382 4.396,383 2.319,384 1.414,385 1.949,387 3.833,388 1.247,389 2.727,390 1.494,391 4.041,392 2.27,393 1.324,394 1.812,395 3.52,396 1.22,397 2.714,398 1.355,399 3.73,400 2.222,401 1.226,402 1.765,403 2.86,404 1.217,405 2.244,406 1.259,407 3.487,408 1.547,409 0.569,410 0.861,411 1.391,412 0.549,413 1.643,414 0.881,415 3.149,416 1.24,417 0.403,418 0.476,419 0.979,420 0.327,421 16.824,422 0.467,423 1.301,424 0.036,425 49.5,426 1.375,427 26.5,428 0.736,429 23,430 0.639,431 29.15,432 0.81,433 38.976,434 0.764,435 47.07,436 1.307,437 10.206,438 0.283,439 6.752,440 0.188,441 0.2,442 0.05,443 0.38,445 4,447 0.568,448 0.921,449 0.619,450 1.068,451 0.59,452 0.816,453 0.686,454 0.923,455 0.693,456 0.912,457 0.599,458 0.831,459 1.042,460 1.031,461 0.979,462 1.113,463 0.971,464 1.018,465 0.879,466 0.847,467 0.966,468 1.027,469 0.824,470 1.045,471 0.631,472 0.664,473 0.815,474 0.933,475 0.62,476 1.073,477 0.612,478 0.646,479 0.699,480 0.779,481 0.594,482 0.987,483 0.614,484 0.801,485 0.885,486 0.987,487 0.603,488 1.062,489 0.909,490 0.813,491 1.044,492 0.916,493 0.951,494 1.04,495 10,496 0.349,497 5.556,498 4.042,499 2.476,500 1.295,501 1.074,502 0.658,503 0.718,504 0.401,505 19380,506 86228,507 1.985,508 29.4,510 13,511 1,513 1,517 1.774,518 1.793,519 3.726,520 -0.272,525 102.651,526 2.013,527 3.931,528 4.795,529 5.462,530 5.54,531 5.54,532 3.192,533 4.892,534 5.144,535 3.914,536 2466,537 9.041,538 39743.8,542 289.294,543 1.705,544 5.057,545 0.256,546 0.009,547 0.096,548 0.066,549 0.043,550 0.026,551 0.021,552 0.013,553 0.016,554 0.009,555 0.557,556 0.17,557 0.88,558 0.644,559 197.282,560 -0.004,561 -0.068,562 0.093,563 -0.086,564 -0.072,565 0.01,566 0.018,567 -0.067,568 0.024,569 -0.006,570 0.07,571 0.015,572 -0.1,573 -0.068,574 -0.039,575 -0.11,576 -0.072,577 -0.097,578 0.093,579 0.057,580 -0.056,581 -0.065,582 0.134,583 -0.101,584 0.159,585 0.091,586 -0.001,587 -0.034,588 0.147,589 -0.074,590 0.136,591 0.064,592 0.102,593 0.094,594 0.137,595 0.045,596 0.083,597 -0.075,598 0.088,599 -0.037,600 0.085,601 0.009,602 -0.069,603 -0.033,604 0.007,605 0.045,606 -0.087,607 -0.007,608 5.75,609 5.874,610 0.583,611 38.623,612 1.057,613 1.133,614 3.938,615 15.508,616 0.724,617 3.689,618 4.078,619 4.331,620 4.595,621 4.787,622 4.828,623 4.898,624 4.997,625 5.075,626 5.159,627 8.084,628 0.729,629 538.93,630 3.689,631 5.273,632 6.133,633 7.04,634 7.918,635 8.825,636 9.711,637 10.619,638 11.509,639 12.417,640 3.9,644 1,645 1,650 2,651 9,656 9,657 1,658 22,668 1,669 5,670 51,671 26,672 3,673 39,675 54,676 24,677 20,678 10,679 8,680 3,681 4,682 5,683 1,693 23,694 1,696 4,697 1,698 3,699 2,701 1,705 4,707 15,708 9,709 1,710 12,711 2,714 2,717 0.75,718 4,727 1,730 1,731 3,734 1,741 2,748 3,750 1,752 1,753 1,754 4,756 36,758 1,761 1,762 1,772 5,773 7.8,776 3,778 1,779 20.083,780 9.664,781 7.653,782 2.724,785 4.706,786 1.579,787 1.015,788 7.143,789 12.837,790 4.007,791 4.712,792 5.289,793 5.894,794 6.415,795 6.702,796 7.051,797 7.436,798 7.72,799 8.098,800 1,801 61,802 14.249,803 7.26,804 8.556,805 23.74,806 19.615,807 3.056,808 110.028,812 164.795,813 182.643,814 18.304,815 39.149,816 80.458,817 59.84,818 5.807,819 176.836,820 284.402,821 78.145,822 8.396,823 16.405,824 109.617,825 74.163,826 70.68,827 73.756,828 153.024,829 39.149,830 164.795,831 195.14,832 140.298,833 44.956,835 224.636,836 80.458,839 18.304,840 157.883,841 63.909,843 224.636,844 98.762,845 221.792,847 5.807,848 164.795,849 64.63,850 114.105,851 16.405,852 179.447,853 164.795,854 158.602,855 221.792,857 0.604,858 0.353,859 0.183,860 0.099,861 28,862 15,863 0.111,864 6,865 1,866 1.095,867 4.449,868 346.152,869 0.095,870 21,871 184.117,873 1,874 25.771,875 9.978,876 5.44,877 1.233,878 156.703,879 10.786,884 -5.657,885 1.727,886 16.405,887 545.19,888 54,889 -4.833,890 36.915,891 2.162,893 -1.167,895 53.916,896 57.794,897 0.355,898 0.693,899 0.845,900 0.963,901 0.977,902 0.977,903 5.276,904 2.023,905 6.184,906 6.482,907 4.762,908 5.4,909 1.481,910 7.066,911 4.634,912 6.559,913 1.935,914 7.802,915 5.936,916 4.635,917 5.563,919 8.244,920 4.393,921 7.929,922 1.474,923 9.525,924 5.483,925 6.469,926 7.778,927 1.37,928 11.319,929 6.217,930 9.338,931 1.414,932 11.31,933 4.155,934 7.099,935 8.713,937 13.326,938 6.726,939 10.777,940 1.324,941 13.136,942 3.833,943 8.498,944 10.487,945 1.275,946 16.008,947 8.109,948 12.241,949 1.226,950 14.994,951 3.52,952 9.456,953 11.763,955 18.345,956 8.959,957 13.724,958 0.569,959 16.875,960 2.86,961 10.712,962 13.385,963 1.193,964 20.916,965 10.182,966 3.446,967 0.403,968 18.775,969 1.391,970 11.812,971 14.812,973 23.377,974 11.19,975 3.266,976 12.904,977 20.691,978 0.979,979 13.026,980 16.381,981 1.123,982 25.919,983 12.354,984 2.832,985 11.659,986 22.621,987 4.756,988 14.187,989 17.874,991 28.427,992 13.435,993 2.755,994 8.388,995 24.561,996 4.694,997 15.392,998 19.426,999 1.062,1000 30.963,1001 14.581,1002 2.411,1003 8.382,1004 26.51,1005 3.872,1006 16.582,1007 20.949,1009 33.49,1010 15.696,1011 2.311,1012 7.482,1013 28.466,1014 3.802,1015 17.789,1016 22.497,1017 1.01,1018 36.027,1019 16.838,1020 2.097,1021 6.688,1022 30.429,1023 3.167,1024 18.992,1025 24.035,1027 38.563,1028 17.969,1029 18713,1030 39763,1031 24.679,1032 36.938,1033 60.385,1034 63.289,1035 62.675,1036 59.743,1037 59.553,1038 81.634,1039 3.68,1040 181.642,1041 55.516,1042 5.746,1043 6.719,1044 6.924,1045 5.445,1046 5.446,1047 7.756,1048 1.96,1049 20.658,1050 5.174,1051 24.503,1052 1.548,1053 1.623,1054 1.607,1055 1.532,1056 1.527,1057 2.093,1058 0.094,1059 4.657,1060 1.423,1061 4.159,1062 4.182,1063 4.739,1064 4.084,1065 8.242,1066 4.079,1067 4.071,1068 4.049,1069 4.124,1070 4.033,1071 8.201,1072 3.967,1073 3.89,1074 3.906,1075 3.998,1076 3.817,1077 8.198,1078 3.818,1079 3.706,1080 3.713,1081 3.79,1082 3.573,1083 8.161,1084 3.555,1085 3.519,1086 3.537,1087 3.509,1088 3.431,1089 7.717,1090 3.401,1091 3.408,1092 3.444,1093 3.378,1094 3.226,1095 7.428,1096 3.231,1097 3.086,1098 3.113,1099 3.274,1100 2.913,1101 6.999,1102 2.928,1103 2.978,1104 3.012,1105 3.003,1106 2.805,1107 5.012,1108 2.791,1109 0.126,1110 0.121,1111 0.19,1112 0.112,1113 0.088,1114 4.897,1115 0.122,1116 4.719,1117 0.025,1118 7.405,1119 0.331,1120 4.364,1121 0.081,1122 3.446,1123 4.756,1124 0.98,1125 12.904,1126 3.174,1127 1.953,1128 1.957,1129 2.021,1130 2.046,1131 1.177,1132 2.05,1133 1.933,1134 1.933,1135 1.906,1136 2.026,1137 1.127,1138 2.032,1139 1.834,1140 1.817,1141 1.895,1142 1.925,1143 1.013,1144 1.925,1145 1.69,1146 1.653,1147 1.824,1148 1.851,1149 0.912,1150 1.844,1151 1.486,1152 1.485,1153 1.626,1154 1.701,1155 0.668,1156 1.696,1157 1.317,1158 1.291,1159 1.312,1160 1.491,1161 0.52,1162 1.521,1163 1.036,1164 1.006,1165 1.124,1166 1.225,1167 0.295,1168 1.23,1169 0.88,1170 0.861,1171 1.105,1172 1.114,1173 0.175,1174 1.087,1175 4.369,1177 5.74,1178 2.398,1179 7.29,1180 4.844,1181 8.925,1182 7.034,1183 10.607,1185 1.731,1186 5.815,1187 53.879,1191 1.58,1192 5.858,1199 37.191,1200 102.651,1201 200.485,1202 244.539,1203 278.539,1204 282.539,1205 282.539,1206 127.34,1207 8.132,1208 77.4,1209 85.78,1210 23,1211 12.937,1212 4.755,1213 4,1214 62.204,1215 175,1216 168,1217 0.17,1218 230.114,1219 414.2,1220 553.239,1221 44162,1222 9.8,1223 26.198,1224 0.728,1225 0.55,1226 23.467,1227 19.802,1228 16.957,1229 0.435,1230 0.306,1231 10.007,1232 15.02,1233 9.691,1234 7.956,1235 16.441,1236 11.925,1237 16.66,1238 0.287,1239 0.165,1240 16.198,1241 9.581,1242 13.38,1243 0.178,1244 0.089,1245 12.793,1246 6.689,1247 11.032,1248 0.113,1249 0.047,1250 11.24,1251 4.61,1252 8.577,1253 0.072,1254 0.025,1255 8.445,1256 2.951,1257 0.271,1258 120.028,1259 0.201,1260 33.013,1261 0.457,1262 194,1263 924.428,1264 276.254,1265 828.882,1266 1062.83,1267 758,1268 230,1269 697.025,1270 320.057,1271 723.17,1272 1060.32,1273 676,1274 5.5}
{0 CHEMBL475152,1 1.971,2 13.829,3 5.998,4 35.974,5 125.951,6 10.215,7 0.579,8 4.072,9 4.137,10 4,11 3.693,12 5.362,13 3.692,14 4.571,15 4.665,16 4.352,17 4.058,18 6.102,19 4.064,20 4.824,21 4.94,22 4.462,23 4.163,24 6.378,25 4.159,26 4.85,27 4.984,28 4.394,29 4.092,30 6.418,31 4.095,32 4.766,33 4.912,34 4.261,35 4.034,36 6.315,37 4.028,38 4.781,39 4.937,40 4.236,41 4.052,42 6.315,43 4.033,44 4.752,45 4.915,46 4.292,47 4.046,48 6.256,49 4.016,50 4.747,51 4.909,52 4.233,53 3.987,54 6.231,55 3.943,56 0.287,57 0.907,58 6.122,59 4.843,60 43.737,61 4.075,62 0.7,63 1.429,64 11.053,65 7.796,66 86.583,67 7.001,68 1.282,69 1.888,70 22.817,71 11.109,72 178.738,73 9.133,74 1.372,75 1.701,76 25.818,77 11.157,78 211.672,79 9.299,80 1.224,81 1.592,82 21.133,83 10.047,84 182.076,85 9.342,86 1.26,87 1.621,88 19.732,89 10.069,90 188.768,91 9.872,92 1.071,93 1.63,94 21.1,95 10.224,96 145.712,97 10.675,98 1.22,99 1.507,100 22.436,101 9.974,102 178.365,103 8.906,104 65,105 56,106 0.323,107 0.634,108 0.781,109 0.894,110 0.907,111 0.907,112 3.588,113 0.933,114 -5.07,115 -4.97,116 -4.65,118 47.1,123 1,129 2,133 9,134 2,135 7,141 1,142 1,145 1,154 7,157 1,158 7,160 3,162 1,164 9,167 11,170 3,171 7,174 3,175 9,179 2,180 5,184 7,189 1,192 11,195 1,196 4,198 1,202 10,205 1,206 6,208 1,210 2,211 10,214 2,215 1,219 1,222 7,225 2,226 8,230 1,233 3,236 2356,237 22.695,238 22.695,239 22.695,240 22.695,241 22.695,242 19.32,243 19.521,244 12.92,245 23.336,246 18.699,247 18.699,248 18.699,249 18.699,250 18.699,251 13.524,252 16.965,253 6.109,254 19.896,255 3.702,256 1.8,257 0.903,258 0.211,259 0.132,260 0.132,261 4.274,262 1,266 1,267 1033,268 4.301,270 84.18,271 342.123,274 157.58,277 1.958,278 73.26,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 79.833,289 484,290 4.861,291 4.69,292 7.311,293 4.318,294 3.398,295 4.713,296 0.98,297 12.521,298 3.174,299 4.711,300 3.435,301 6.923,302 4.238,303 3.268,304 4.694,305 0.86,306 11.663,307 3.097,308 4.234,309 3.401,310 6.087,311 3.785,312 2.857,313 3.884,315 8.828,316 2.628,317 4.107,318 3.249,319 5.898,320 3.643,321 2.71,322 3.718,324 8.064,325 2.516,326 3.724,327 3.213,328 5.648,329 3.298,330 2.334,331 3.136,333 7.258,334 2.279,335 3.7,336 2.795,337 5.267,338 3.248,339 2.294,340 3.05,342 6.457,343 2.13,344 3.43,345 2.529,346 5.115,347 2.999,348 2.065,349 2.741,351 5.939,352 1.977,353 3.387,354 2.124,355 4.944,356 2.922,357 1.986,358 2.682,360 5.691,361 1.708,362 3.081,363 2.117,364 4.603,365 2.548,366 1.566,367 2.294,369 4.591,370 1.524,371 2.855,372 1.911,373 4.461,374 2.409,375 1.481,376 1.985,378 4.037,379 1.36,380 2.819,381 1.74,382 4.11,383 2.352,384 1.414,385 1.947,387 3.514,388 1.31,389 2.726,390 1.458,391 4.04,392 2.243,393 1.288,394 1.809,395 3.512,396 1.222,397 2.701,398 1.259,399 3.724,400 2.222,401 1.224,402 1.752,403 2.856,404 1.219,405 2.245,406 0.895,407 3.303,408 1.547,409 0.566,410 0.864,411 1.375,412 0.547,413 1.621,414 0.819,415 3.088,416 1.222,417 0.336,418 0.419,419 0.812,420 0.282,421 16.538,422 0.473,423 1.211,424 0.035,425 48.75,426 1.393,427 26.5,428 0.757,429 22.25,430 0.636,431 27.539,432 0.787,433 37.462,434 0.735,435 44.88,436 1.282,437 9.986,438 0.285,439 6.56,440 0.187,441 0.186,442 0.05,443 0.357,445 3,447 0.56,448 0.952,449 0.628,450 1.071,451 0.588,452 0.82,453 0.674,454 0.932,455 0.704,456 0.912,457 0.584,458 0.843,459 1.01,460 0.992,461 1.074,462 1.105,463 0.924,464 1.042,465 1.025,466 0.924,467 0.988,468 1.042,469 0.954,470 1.035,471 0.774,472 0.817,473 0.733,474 0.952,475 0.762,476 1.022,477 0.803,478 0.796,479 0.698,480 0.801,481 0.818,482 0.969,483 0.668,484 0.934,485 0.742,486 0.98,487 0.709,488 1.007,489 1.008,490 0.848,491 1.053,492 0.904,493 1.05,494 1.049,495 9.5,496 0.23,497 5.333,498 3.479,499 2.365,500 1.184,501 1.082,502 0.714,503 0.592,504 0.441,505 18105,506 75929,507 2.001,508 31.4,510 14,511 1,513 1,517 1.768,518 1.818,519 3.71,520 -0.288,525 100.5,526 1.971,527 3.872,528 4.77,529 5.462,530 5.54,531 5.54,532 3.188,533 4.765,534 5.102,535 3.893,536 2316.55,537 8.959,538 36578.1,542 289.294,543 1.691,544 5.023,545 0.25,546 0.006,547 0.095,548 0.06,549 0.045,550 0.024,551 0.022,552 0.015,553 0.014,554 0.011,555 0.542,556 0.17,557 0.88,558 0.633,559 190.177,560 0.003,561 -0.076,562 0.102,563 -0.087,564 -0.082,565 0.011,566 0.042,567 -0.052,568 0.023,569 -0.004,570 0.088,571 0.004,572 -0.058,573 -0.025,574 -0.129,575 -0.102,576 -0.024,577 -0.117,578 -0.068,579 -0.05,580 -0.078,581 -0.081,582 -0.017,583 -0.085,584 0.07,585 0.007,586 0.028,587 -0.054,588 0.07,589 -0.048,590 0.052,591 0.047,592 0.043,593 0.075,594 0.039,595 0.017,596 0.12,597 -0.071,598 0.131,599 -0.031,600 0.094,601 0.021,602 -0.101,603 0.016,604 -0.056,605 0.058,606 -0.101,607 -0.047,608 5.354,609 6.258,610 0.6,611 37.638,612 1.047,613 1.127,614 3.838,615 14.728,616 0.725,617 3.664,618 4.043,619 4.29,620 4.543,621 4.754,622 4.796,623 4.89,624 4.97,625 5.056,626 5.118,627 7.951,628 0.722,629 520.94,630 3.664,631 5.242,632 6.098,633 6.999,634 7.874,635 8.776,636 9.66,637 10.562,638 11.451,639 12.353,640 3.9,644 1,645 1,650 2,651 10,656 8,657 1,658 22,668 1,669 4,670 51,671 26,672 3,673 38,675 54,676 24,677 20,678 9,679 9,680 3,681 4,682 5,683 1,693 23,694 1,696 4,697 1,698 3,699 2,701 1,705 3,707 16,708 8,709 1,710 11,711 2,714 2,717 0.75,718 4,727 1,730 1,731 3,734 1,741 2,748 3,750 1,752 1,753 1,754 3,756 35,758 1,761 1,762 1,772 4,773 7.8,776 3,778 1,779 19.25,780 9.605,781 7.458,782 2.737,785 4.678,786 1.58,787 1.015,788 6.95,789 12.741,790 3.989,791 4.684,792 5.258,793 5.852,794 6.388,795 6.675,796 7.044,797 7.411,798 7.712,799 8.072,800 1,801 58,802 13.537,803 6.561,804 8.425,805 23.319,806 19.242,807 2.925,808 102.361,812 176.567,813 182.999,814 18.304,815 39.149,816 80.458,817 44.88,818 5.807,819 177.191,820 296.173,821 63.184,822 8.396,823 16.405,824 119.094,825 74.163,826 61.559,827 58.796,828 164.795,829 39.149,830 176.567,831 195.495,832 125.338,833 44.956,835 221.447,836 80.458,839 18.304,840 158.239,841 63.909,843 221.447,844 98.762,845 222.147,847 5.807,848 176.567,849 55.509,850 123.582,851 16.405,852 164.487,853 176.567,854 143.642,855 222.147,857 0.601,858 0.348,859 0.179,860 0.099,861 27,862 14,863 0.111,864 6,865 1,866 1.095,867 4.411,868 331.75,869 0.095,870 21,871 177.525,873 1,874 24.864,875 9.783,876 5.379,877 1.239,878 141.743,879 12.693,884 -2.935,885 1.746,886 16.405,887 542.356,888 53,889 -4.437,890 36.954,891 2.315,893 -1.02,895 53.403,896 57.454,897 0.347,898 0.683,899 0.841,900 0.963,901 0.977,902 0.977,903 5.25,904 1.986,905 6.142,906 5.939,907 4.727,908 5.373,909 1.481,910 7.013,911 4.606,912 6.527,913 1.566,914 7.752,915 5.691,916 4.575,917 5.509,919 8.186,920 4.339,921 7.893,922 1.481,923 9.469,924 4.591,925 6.425,926 7.743,927 1.37,928 11.244,929 6.185,930 9.298,931 1.414,932 11.249,933 4.037,934 7.04,935 8.665,937 13.244,938 6.684,939 10.735,940 1.288,941 13.072,942 3.514,943 8.446,944 10.448,945 1.275,946 15.902,947 8.077,948 12.196,949 1.224,950 14.925,951 3.512,952 9.393,953 11.716,955 18.221,956 8.922,957 13.677,958 0.566,959 16.802,960 2.856,961 10.648,962 13.341,963 1.193,964 20.765,965 10.147,966 3.398,967 0.336,968 18.698,969 1.375,970 11.738,971 14.761,973 23.202,974 11.15,975 3.268,976 12.521,977 20.608,978 0.812,979 12.946,980 16.329,981 1.123,982 25.715,983 12.313,984 2.857,985 11.663,986 22.53,987 4.713,988 14.097,989 17.817,991 28.196,992 13.389,993 2.71,994 8.828,995 24.462,996 4.694,997 15.294,998 19.366,999 1.062,1000 30.702,1001 14.532,1002 2.334,1003 8.064,1004 26.402,1005 3.884,1006 16.472,1007 20.884,1009 33.2,1010 15.642,1011 2.294,1012 7.258,1013 28.348,1014 3.718,1015 17.669,1016 22.428,1017 1.01,1018 35.707,1019 16.779,1020 2.065,1021 6.457,1022 30.3,1023 3.136,1024 18.86,1025 23.961,1027 38.212,1028 17.905,1029 17438,1030 35953,1031 24.274,1032 37,1033 58.564,1034 61.067,1035 60.624,1036 57.922,1037 57.769,1038 79.62,1039 3.68,1040 174.676,1041 54.114,1042 5.705,1043 6.69,1044 6.83,1045 5.401,1046 5.398,1047 7.713,1048 1.96,1049 19.91,1050 5.174,1051 22.692,1052 1.541,1053 1.607,1054 1.595,1055 1.524,1056 1.52,1057 2.095,1058 0.097,1059 4.597,1060 1.424,1061 4.159,1062 4.182,1063 4.737,1064 4.084,1065 8.24,1066 4.079,1067 4.065,1068 4.044,1069 4.123,1070 4.033,1071 8.201,1072 3.963,1073 3.89,1074 3.906,1075 3.99,1076 3.817,1077 8.161,1078 3.817,1079 3.702,1080 3.711,1081 3.767,1082 3.574,1083 7.718,1084 3.554,1085 3.518,1086 3.536,1087 3.511,1088 3.432,1089 7.428,1090 3.401,1091 3.408,1092 3.444,1093 3.411,1094 3.226,1095 6.999,1096 3.231,1097 3.082,1098 3.111,1099 3.284,1100 2.92,1101 5.004,1102 2.931,1103 2.97,1104 2.996,1105 2.969,1106 2.795,1107 4.878,1108 2.794,1109 0.128,1110 0.123,1111 0.192,1112 0.114,1113 0.089,1114 4.861,1115 0.124,1116 4.69,1117 0.026,1118 7.311,1119 0.329,1120 4.318,1121 0.084,1122 3.398,1123 4.713,1124 0.98,1125 12.521,1126 3.174,1127 1.954,1128 1.96,1129 2.021,1130 2.046,1131 1.177,1132 2.055,1133 1.939,1134 1.933,1135 1.932,1136 2.025,1137 1.139,1138 2.034,1139 1.834,1140 1.817,1141 1.905,1142 1.925,1143 1.013,1144 1.925,1145 1.691,1146 1.654,1147 1.825,1148 1.85,1149 0.912,1150 1.845,1151 1.487,1152 1.486,1153 1.626,1154 1.701,1155 0.67,1156 1.698,1157 1.317,1158 1.291,1159 1.312,1160 1.491,1161 0.524,1162 1.521,1163 1.036,1164 1.006,1165 1.132,1166 1.224,1167 0.296,1168 1.23,1169 0.885,1170 0.874,1171 1.116,1172 1.082,1173 0.173,1174 1.083,1175 4.344,1177 5.707,1178 2.398,1179 7.251,1180 4.844,1181 8.878,1182 7.034,1183 10.55,1185 1.75,1186 5.79,1187 40.743,1191 1.769,1192 5.754,1199 36.808,1200 100.5,1201 197.48,1202 243.255,1203 278.539,1204 282.539,1205 282.539,1206 114.313,1207 8.063,1208 77.4,1209 85.78,1210 23,1211 12.876,1212 4.755,1213 4,1214 59.546,1215 166,1216 168,1217 0.171,1218 228.916,1219 408.13,1220 550.316,1221 40527,1222 7.8,1223 25.328,1224 0.724,1225 0.557,1226 23.467,1227 19.501,1228 16.547,1229 0.435,1230 0.311,1231 9.927,1232 14.683,1233 9.59,1234 7.894,1235 16.441,1236 11.819,1237 16.136,1238 0.288,1239 0.17,1240 16.186,1241 9.52,1242 12.924,1243 0.179,1244 0.091,1245 12.91,1246 6.55,1247 10.533,1248 0.113,1249 0.048,1250 10.929,1251 4.484,1252 8.354,1253 0.073,1254 0.026,1255 8.667,1256 2.973,1257 0.272,1258 116.698,1259 0.203,1260 32.297,1261 0.459,1262 188,1263 830.317,1264 266.424,1265 766.755,1266 990.78,1267 702,1268 222,1269 652.692,1270 303.361,1271 685.392,1272 1002.21,1273 641,1274 5.496}
{0 CHEMBL475348,1 2.037,2 13.917,3 6.662,4 44.385,5 130.756,6 10.89,7 0.564,8 4.077,9 4.136,10 4.052,11 3.715,12 5.378,13 3.713,14 4.577,15 4.663,16 4.424,17 4.087,18 6.123,19 4.092,20 4.834,21 4.938,22 4.636,23 4.209,24 6.38,25 4.204,26 4.87,27 4.99,28 4.501,29 4.119,30 6.632,31 4.127,32 4.773,33 4.913,34 4.316,35 4.055,36 6.399,37 4.044,38 4.779,39 4.932,40 4.301,41 4.083,42 6.367,43 4.052,44 4.749,45 4.905,46 4.347,47 4.098,48 6.209,49 4.045,50 4.748,51 4.899,52 4.374,53 4.05,54 6.223,55 3.995,56 0.331,57 0.894,58 4.398,59 4.662,60 49.06,61 3.773,62 0.773,63 1.409,64 8.822,65 7.587,66 95.326,67 6.591,68 1.346,69 1.908,70 23.583,71 11.2,72 197.65,73 8.595,74 1.733,75 1.891,76 25.011,77 11.312,78 280.204,79 9.261,80 1.422,81 1.682,82 20.062,83 10.138,84 215.281,85 9.203,86 1.376,87 1.523,88 18.049,89 10.075,90 207.168,91 10.088,92 1.126,93 1.463,94 20.687,95 10.308,96 153.397,97 10.628,98 1.264,99 1.377,100 21.889,101 10.107,102 178.077,103 9.092,104 82,105 58,106 0.333,107 0.652,108 0.783,109 0.888,110 0.907,111 0.907,112 3.616,113 0.946,114 -5.27,115 -5.16,116 -4.82,118 47.1,123 1,129 2,133 8,134 2,135 8,141 1,142 1,145 1,154 6,157 1,158 8,160 3,162 1,164 8,167 8,170 2,171 10,174 3,175 10,179 2,180 8,184 6,189 1,192 10,195 1,196 5,198 1,202 11,205 1,206 5,208 1,210 2,211 10,214 2,215 2,219 1,222 7,225 2,226 8,230 2,233 4,236 2492,237 23.195,238 23.195,239 23.195,240 23.195,241 23.195,242 19.767,243 20.407,244 13.121,245 23.931,246 19.177,247 19.177,248 19.177,249 19.177,250 19.177,251 13.918,252 18.822,253 6.198,254 20.614,255 3.635,256 1.693,257 0.892,258 0.25,259 0.132,260 0.132,261 4.3,262 2,266 1,267 1066,268 4.359,270 87.338,271 353.757,274 163.575,277 1.981,278 77.313,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 82.167,289 501,290 4.897,291 4.719,292 7.405,293 4.364,294 3.446,295 4.756,296 0.98,297 12.904,298 3.174,299 4.71,300 3.438,301 6.922,302 4.237,303 3.266,304 4.694,305 0.86,306 11.659,307 3.131,308 4.218,309 3.382,310 5.982,311 3.728,312 2.832,313 3.872,315 8.388,316 2.573,317 4.166,318 3.292,319 5.96,320 3.693,321 2.755,322 3.802,324 8.382,325 2.505,326 3.747,327 3.273,328 5.695,329 3.317,330 2.411,331 3.167,333 7.482,334 2.279,335 3.727,336 2.832,337 5.465,338 3.294,339 2.311,340 3.056,342 6.688,343 2.139,344 3.481,345 2.697,346 5.336,347 3.042,348 2.097,349 2.811,351 6.482,352 1.99,353 3.418,354 2.276,355 5.073,356 2.95,357 2.023,358 2.735,360 5.936,361 1.849,362 3.362,363 2.135,364 4.899,365 2.909,366 1.935,367 2.647,369 5.483,370 1.768,371 2.907,372 2.103,373 4.41,374 2.422,375 1.474,376 2.057,378 4.155,379 1.38,380 2.82,381 2.076,382 4.396,383 2.307,384 1.414,385 1.949,387 3.833,388 1.245,389 2.727,390 1.494,391 4.041,392 2.268,393 1.324,394 1.812,395 3.52,396 1.22,397 2.714,398 1.355,399 3.73,400 2.222,401 1.226,402 1.765,403 2.86,404 1.196,405 2.244,406 1.259,407 3.487,408 1.546,409 0.569,410 0.861,411 1.391,412 0.547,413 1.643,414 0.884,415 3.149,416 1.24,417 0.403,418 0.476,419 0.979,420 0.326,421 17.252,422 0.479,423 1.301,424 0.036,425 49.5,426 1.375,427 26.5,428 0.736,429 23,430 0.639,431 30.085,432 0.836,433 38.548,434 0.756,435 46.135,436 1.282,437 10.075,438 0.28,439 6.883,440 0.191,441 0.219,442 0.048,443 0.371,445 3,447 0.57,448 0.949,449 0.589,450 1.02,451 0.595,452 0.788,453 0.687,454 0.927,455 0.667,456 0.859,457 0.591,458 0.801,459 1.056,460 1.028,461 0.928,462 1.061,463 0.978,464 1,465 0.881,466 0.881,467 0.954,468 1.052,469 0.818,470 1.06,471 0.691,472 0.743,473 0.712,474 0.944,475 0.683,476 1.056,477 0.647,478 0.69,479 0.622,480 0.751,481 0.639,482 0.961,483 0.62,484 0.811,485 0.813,486 0.94,487 0.613,488 1.029,489 0.883,490 0.741,491 1.043,492 0.883,493 0.921,494 1.026,495 10,496 0.349,497 5.556,498 4.042,499 2.476,500 1.295,501 1.074,502 0.658,503 0.718,504 0.401,505 19380,506 86228,507 1.985,508 29.4,510 13,511 1,513 1,517 1.774,518 1.793,519 3.726,520 -0.272,525 103.896,526 2.037,527 3.98,528 4.78,529 5.422,530 5.54,531 5.54,532 3.192,533 4.892,534 5.144,535 3.914,536 2466,537 9.041,538 39743.8,542 289.294,543 1.705,544 5.057,545 0.256,546 0.009,547 0.096,548 0.066,549 0.043,550 0.026,551 0.021,552 0.013,553 0.016,554 0.009,555 0.557,556 0.17,557 0.88,558 0.644,559 197.282,560 -0.002,561 -0.076,562 0.072,563 -0.089,564 -0.08,565 0.009,566 0.028,567 -0.048,568 0.02,569 0.018,570 0.086,571 0.026,572 -0.108,573 -0.062,574 -0.001,575 -0.069,576 -0.078,577 -0.086,578 0.125,579 0.062,580 -0.086,581 -0.092,582 0.184,583 -0.123,584 0.149,585 0.084,586 0.019,587 -0.053,588 0.151,589 -0.072,590 0.147,591 0.088,592 0.101,593 0.118,594 0.154,595 0.057,596 0.092,597 -0.053,598 0.089,599 0.003,600 0.095,601 0.031,602 -0.057,603 0.015,604 -0.003,605 0.084,606 -0.073,607 0.01,608 5.73,609 5.888,610 0.583,611 38.623,612 1.053,613 1.125,614 4.037,615 16.301,616 0.742,617 3.689,618 4.078,619 4.331,620 4.595,621 4.787,622 4.828,623 4.898,624 4.997,625 5.075,626 5.159,627 8.084,628 0.738,629 555.38,630 3.689,631 5.273,632 6.133,633 7.04,634 7.918,635 8.825,636 9.711,637 10.619,638 11.509,639 12.417,640 3.9,644 1,645 1,650 2,651 9,656 9,657 1,658 22,668 1,669 5,670 51,671 26,672 3,673 39,675 54,676 24,677 20,678 10,679 8,680 3,681 4,682 5,683 2,693 23,694 1,696 4,697 1,698 3,699 2,701 1,705 3,707 15,708 8,709 1,710 12,711 3,714 2,717 0.75,718 4,727 1,730 1,731 3,734 1,741 2,748 3,750 1,752 1,753 2,754 3,756 36,758 1,761 1,762 1,772 5,773 7.8,776 3,778 1,779 20.083,780 9.664,781 7.653,782 2.724,785 4.706,786 1.579,787 1.012,788 7.391,789 12.837,790 4.007,791 4.712,792 5.289,793 5.894,794 6.415,795 6.702,796 7.051,797 7.436,798 7.72,799 8.098,800 1,801 61,802 14.182,803 7.15,804 8.448,805 23.88,806 19.724,807 2.948,808 106.139,812 164.795,813 177.023,814 18.304,815 78.297,816 80.458,817 44.88,818 5.807,819 171.215,820 323.55,821 63.184,822 8.396,823 16.405,824 109.617,825 74.163,826 65.059,827 58.796,828 153.024,829 78.297,830 164.795,831 189.52,832 125.338,833 84.105,835 209.676,836 80.458,839 18.304,840 152.263,841 103.057,843 209.676,844 98.762,845 255.32,847 5.807,848 164.795,849 59.009,850 114.105,851 16.405,852 203.635,853 164.795,854 143.642,855 255.32,857 0.604,858 0.353,859 0.183,860 0.099,861 28,862 15,863 0.111,864 6,865 1,866 1.095,867 4.449,868 346.152,869 0.095,870 21,871 181.362,873 1,874 26.112,875 10.189,876 5.577,877 1.341,878 141.743,879 11.919,884 -3.912,885 1.766,886 16.405,887 563.758,888 54,889 -4.813,890 36.973,891 2.233,893 -1.14,895 53.727,896 57.398,897 0.359,898 0.702,899 0.843,900 0.956,901 0.977,902 0.977,903 5.276,904 2.023,905 6.184,906 6.482,907 4.762,908 5.4,909 1.481,910 7.066,911 4.622,912 6.559,913 1.935,914 7.802,915 5.936,916 4.635,917 5.563,919 8.244,920 4.37,921 7.929,922 1.474,923 9.525,924 5.483,925 6.469,926 7.778,927 1.37,928 11.319,929 6.201,930 9.338,931 1.414,932 11.31,933 4.155,934 7.099,935 8.713,937 13.326,938 6.705,939 10.777,940 1.324,941 13.136,942 3.833,943 8.498,944 10.487,945 1.275,946 16.008,947 8.093,948 12.241,949 1.226,950 14.994,951 3.52,952 9.456,953 11.763,955 18.345,956 8.941,957 13.724,958 0.569,959 16.875,960 2.86,961 10.712,962 13.385,963 1.193,964 20.916,965 10.166,966 3.446,967 0.403,968 18.775,969 1.391,970 11.812,971 14.812,973 23.377,974 11.176,975 3.266,976 12.904,977 20.691,978 0.979,979 13.026,980 16.381,981 1.123,982 25.919,983 12.342,984 2.832,985 11.659,986 22.621,987 4.756,988 14.187,989 17.874,991 28.427,992 13.424,993 2.755,994 8.388,995 24.561,996 4.694,997 15.392,998 19.426,999 1.062,1000 30.963,1001 14.572,1002 2.411,1003 8.382,1004 26.51,1005 3.872,1006 16.582,1007 20.949,1009 33.49,1010 15.688,1011 2.311,1012 7.482,1013 28.466,1014 3.802,1015 17.789,1016 22.497,1017 1.01,1018 36.027,1019 16.831,1020 2.097,1021 6.688,1022 30.429,1023 3.167,1024 18.992,1025 24.035,1027 38.563,1028 17.962,1029 18713,1030 39763,1031 24.679,1032 37.858,1033 60.385,1034 63.32,1035 62.675,1036 59.794,1037 59.553,1038 81.634,1039 3.68,1040 181.642,1041 55.065,1042 5.746,1043 6.719,1044 6.924,1045 5.447,1046 5.446,1047 7.756,1048 1.96,1049 20.658,1050 5.174,1051 24.503,1052 1.548,1053 1.624,1054 1.607,1055 1.533,1056 1.527,1057 2.093,1058 0.094,1059 4.657,1060 1.412,1061 4.159,1062 4.182,1063 4.739,1064 4.085,1065 8.242,1066 4.079,1067 4.071,1068 4.049,1069 4.144,1070 4.033,1071 8.199,1072 3.967,1073 3.885,1074 3.895,1075 4.074,1076 3.836,1077 8.161,1078 3.827,1079 3.706,1080 3.713,1081 3.79,1082 3.573,1083 7.717,1084 3.555,1085 3.518,1086 3.537,1087 3.511,1088 3.432,1089 7.428,1090 3.402,1091 3.408,1092 3.444,1093 3.408,1094 3.226,1095 6.999,1096 3.232,1097 3.083,1098 3.111,1099 3.378,1100 2.926,1101 5.085,1102 2.935,1103 2.968,1104 2.991,1105 3.243,1106 2.817,1107 4.941,1108 2.803,1109 0.126,1110 0.121,1111 0.19,1112 0.112,1113 0.088,1114 4.897,1115 0.122,1116 4.719,1117 0.025,1118 7.405,1119 0.331,1120 4.364,1121 0.081,1122 3.446,1123 4.756,1124 0.98,1125 12.904,1126 3.174,1127 1.953,1128 1.957,1129 2.021,1130 2.044,1131 1.177,1132 2.049,1133 1.933,1134 1.934,1135 1.896,1136 2.025,1137 1.127,1138 2.032,1139 1.837,1140 1.823,1141 1.895,1142 1.909,1143 1.026,1144 1.917,1145 1.69,1146 1.653,1147 1.824,1148 1.849,1149 0.912,1150 1.844,1151 1.486,1152 1.485,1153 1.626,1154 1.7,1155 0.668,1156 1.696,1157 1.317,1158 1.291,1159 1.312,1160 1.491,1161 0.52,1162 1.521,1163 1.036,1164 1.006,1165 1.123,1166 1.223,1167 0.295,1168 1.229,1169 0.885,1170 0.877,1171 1.104,1172 1.078,1173 0.176,1174 1.08,1175 4.369,1177 5.74,1178 2.398,1179 7.29,1180 4.844,1181 8.925,1182 7.034,1183 10.607,1185 1.763,1186 12.007,1187 40.433,1191 1.603,1192 5.966,1199 37.635,1200 103.896,1201 202.975,1202 243.784,1203 276.539,1204 282.539,1205 282.539,1206 119.478,1207 8.132,1208 77.4,1209 85.78,1210 23,1211 12.937,1212 4.755,1213 4,1214 62.204,1215 175,1216 168,1217 0.17,1218 237.249,1219 423.34,1220 570.648,1221 44162,1222 9.8,1223 26.198,1224 0.728,1225 0.571,1226 24.837,1227 20.557,1228 16.957,1229 0.435,1230 0.315,1231 10.062,1232 14.85,1233 9.691,1234 7.956,1235 17.14,1236 12.303,1237 16.66,1238 0.287,1239 0.172,1240 17.027,1241 9.989,1242 13.38,1243 0.178,1244 0.095,1245 14.108,1246 7.139,1247 11.032,1248 0.113,1249 0.048,1250 11.472,1251 4.727,1252 8.577,1253 0.072,1254 0.026,1255 8.905,1256 3.067,1257 0.271,1258 122.338,1259 0.201,1260 33.013,1261 0.457,1262 194,1263 864.521,1264 287.943,1265 828.882,1266 1062.83,1267 758,1268 230,1269 680.555,1270 330.949,1271 723.17,1272 1060.32,1273 676,1274 5.333}
{0 CHEMBL475349,1 2.037,2 13.889,3 6.662,4 44.385,5 130.756,6 10.89,7 0.564,8 4.077,9 4.136,10 4.052,11 3.715,12 5.378,13 3.713,14 4.577,15 4.663,16 4.424,17 4.087,18 6.123,19 4.092,20 4.834,21 4.938,22 4.59,23 4.199,24 6.375,25 4.2,26 4.872,27 4.99,28 4.581,29 4.143,30 6.64,31 4.145,32 4.776,33 4.912,34 4.353,35 4.07,36 6.407,37 4.058,38 4.784,39 4.931,40 4.342,41 4.103,42 6.38,43 4.07,44 4.752,45 4.904,46 4.389,47 4.107,48 6.227,49 4.056,50 4.747,51 4.899,52 4.299,53 4.037,54 6.211,55 3.976,56 0.331,57 0.894,58 4.398,59 4.662,60 49.06,61 3.773,62 0.773,63 1.409,64 8.822,65 7.587,66 95.123,67 6.591,68 1.352,69 1.905,70 21.603,71 11.172,72 197.87,73 8.635,74 1.732,75 1.887,76 27.104,77 11.375,78 280.805,79 9.189,80 1.427,81 1.675,82 20.176,83 10.173,84 216.111,85 9.171,86 1.393,87 1.511,88 19.169,89 10.158,90 207.822,91 9.999,92 1.137,93 1.454,94 21.004,95 10.323,96 153.958,97 10.626,98 1.27,99 1.384,100 23.468,101 10.154,102 179.243,103 9.011,104 82,105 58,106 0.333,107 0.652,108 0.789,109 0.894,110 0.907,111 0.907,112 3.616,113 0.946,114 -5.27,115 -5.16,116 -4.82,118 47.1,123 1,129 2,133 8,134 2,135 8,141 1,142 1,145 1,154 6,157 1,158 7,160 3,162 1,164 9,167 10,170 2,171 8,174 3,175 9,179 2,180 7,184 6,189 1,192 12,195 1,196 4,198 1,202 11,205 1,206 7,208 1,210 2,211 11,214 2,215 1,219 1,222 7,225 2,226 7,230 1,233 3,236 2474,237 23.195,238 23.195,239 23.195,240 23.195,241 23.195,242 19.767,243 20.206,244 13.144,245 23.94,246 19.187,247 19.187,248 19.187,249 19.187,250 19.187,251 13.922,252 17.91,253 6.213,254 20.611,255 3.635,256 1.693,257 0.853,258 0.211,259 0.132,260 0.132,261 4.3,262 2,266 1,267 1064,268 4.359,270 86.828,271 352.631,274 162.548,277 1.957,278 77.622,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 82.167,289 500,290 4.897,291 4.719,292 7.405,293 4.364,294 3.446,295 4.756,296 0.98,297 12.904,298 3.174,299 4.711,300 3.441,301 6.923,302 4.238,303 3.268,304 4.694,305 0.86,306 11.663,307 3.131,308 4.234,309 3.406,310 6.087,311 3.763,312 2.857,313 3.884,315 8.828,316 2.573,317 4.166,318 3.274,319 5.982,320 3.694,321 2.755,322 3.802,324 8.383,325 2.542,326 3.728,327 3.22,328 5.648,329 3.306,330 2.334,331 3.136,333 7.258,334 2.279,335 3.7,336 2.796,337 5.464,338 3.247,339 2.311,340 3.054,342 6.648,343 2.123,344 3.479,345 2.697,346 5.245,347 3.037,348 2.094,349 2.81,351 6.322,352 1.989,353 3.423,354 2.538,355 4.952,356 2.935,357 2.047,358 2.738,360 5.737,361 1.849,362 3.368,363 2.125,364 4.9,365 2.907,366 1.943,367 2.649,369 5.49,370 1.699,371 2.907,372 2.102,373 4.463,374 2.422,375 1.482,376 2.057,378 4.155,379 1.38,380 2.855,381 1.92,382 4.398,383 2.377,384 1.473,385 1.985,387 4.037,388 1.278,389 2.726,390 1.459,391 4.11,392 2.238,393 1.288,394 1.81,395 3.513,396 1.22,397 2.701,398 1.355,399 3.73,400 2.222,401 1.225,402 1.752,403 2.858,404 1.196,405 2.246,406 1.259,407 3.487,408 1.551,409 0.578,410 0.868,411 1.411,412 0.552,413 1.643,414 0.884,415 3.158,416 1.242,417 0.407,418 0.478,419 0.994,420 0.328,421 17.252,422 0.479,423 1.301,424 0.036,425 49.5,426 1.375,427 26.5,428 0.736,429 23,430 0.639,431 30.189,432 0.839,433 38.548,434 0.756,435 46.225,436 1.284,437 10.075,438 0.28,439 6.883,440 0.191,441 0.219,442 0.048,443 0.371,445 3,447 0.57,448 0.949,449 0.589,450 1.02,451 0.595,452 0.788,453 0.687,454 0.927,455 0.667,456 0.859,457 0.59,458 0.801,459 1.048,460 1.029,461 1.014,462 1.113,463 0.982,464 1.026,465 0.902,466 0.876,467 0.897,468 0.989,469 0.82,470 1.014,471 0.705,472 0.738,473 0.741,474 0.93,475 0.686,476 1.033,477 0.681,478 0.686,479 0.728,480 0.767,481 0.656,482 0.967,483 0.613,484 0.813,485 0.833,486 0.953,487 0.61,488 1.023,489 0.92,490 0.744,491 1.156,492 0.944,493 0.934,494 1.114,495 10,496 0.316,497 5.556,498 4.042,499 2.556,500 1.295,501 1.123,502 0.714,503 0.617,504 0.441,505 19260,506 85316,507 1.985,508 29.4,510 13,511 1,513 1,517 1.775,518 1.793,519 3.711,520 -0.272,525 103.896,526 2.037,527 3.98,528 4.819,529 5.462,530 5.54,531 5.54,532 3.174,533 4.892,534 5.144,535 3.902,536 2458.43,537 9.042,538 39505.7,542 289.294,543 1.705,544 5.057,545 0.256,546 0.008,547 0.096,548 0.066,549 0.044,550 0.025,551 0.022,552 0.014,553 0.014,554 0.01,555 0.557,556 0.17,557 0.88,558 0.644,559 197.069,560 -0.002,561 -0.076,562 0.072,563 -0.089,564 -0.08,565 0.009,566 0.028,567 -0.048,568 0.02,569 0.018,570 0.086,571 0.026,572 -0.1,573 -0.064,574 -0.089,575 -0.123,576 -0.082,577 -0.111,578 0.11,579 0.066,580 0.005,581 -0.024,582 0.183,583 -0.08,584 0.142,585 0.087,586 0.024,587 -0.035,588 0.15,589 -0.053,590 0.125,591 0.089,592 0.061,593 0.11,594 0.139,595 0.043,596 0.106,597 -0.057,598 0.104,599 -0.005,600 0.099,601 0.033,602 -0.095,603 0.012,604 -0.118,605 0.022,606 -0.087,607 -0.08,608 5.733,609 5.89,610 0.583,611 38.096,612 1.053,613 1.125,614 4.037,615 16.301,616 0.742,617 3.689,618 4.078,619 4.331,620 4.605,621 4.796,622 4.836,623 4.905,624 4.997,625 5.075,626 5.147,627 8.029,628 0.738,629 555.38,630 3.689,631 5.273,632 6.133,633 7.041,634 7.92,635 8.829,636 9.716,637 10.625,638 11.516,639 12.425,640 3.9,644 1,645 1,650 2,651 9,656 9,657 1,658 22,668 1,669 5,670 51,671 26,672 3,673 39,675 54,676 24,677 20,678 10,679 8,680 3,681 4,682 5,683 2,693 23,694 1,696 4,697 1,698 3,699 2,701 1,705 3,707 15,708 8,709 1,710 12,711 3,714 2,717 0.75,718 4,727 1,730 1,731 3,734 1,741 2,748 3,750 1,752 1,753 2,754 3,756 36,758 1,761 1,762 1,772 5,773 7.8,776 3,778 1,779 20.083,780 9.664,781 7.653,782 2.724,785 4.734,786 1.582,787 1.012,788 7.391,789 12.865,790 4.007,791 4.712,792 5.289,793 5.898,794 6.418,795 6.706,796 7.054,797 7.436,798 7.719,799 8.085,800 1,801 61,802 14.188,803 7.158,804 8.448,805 23.88,806 19.724,807 2.948,808 106.139,812 164.795,813 177.023,814 18.304,815 78.297,816 80.458,817 44.88,818 5.807,819 171.215,820 323.55,821 63.184,822 8.396,823 16.405,824 109.617,825 74.163,826 65.059,827 58.796,828 153.024,829 78.297,830 164.795,831 189.52,832 125.338,833 84.105,835 209.676,836 80.458,839 18.304,840 152.263,841 103.057,843 209.676,844 98.762,845 255.32,847 5.807,848 164.795,849 59.009,850 114.105,851 16.405,852 203.635,853 164.795,854 143.642,855 255.32,857 0.603,858 0.351,859 0.186,860 0.1,861 28,862 15,863 0.111,864 6,865 1,866 1.095,867 4.438,868 347.089,869 0.095,870 21,871 184.117,873 1,874 26.112,875 10.189,876 5.577,877 1.318,878 141.743,879 11.867,884 -3.966,885 1.761,886 16.405,887 563.758,888 54,889 -4.816,890 36.982,891 2.223,893 -1.143,895 53.727,896 57.398,897 0.359,898 0.702,899 0.85,900 0.963,901 0.977,902 0.977,903 5.276,904 2.047,905 6.184,906 6.322,907 4.762,908 5.4,909 1.481,910 7.067,911 4.622,912 6.559,913 1.943,914 7.802,915 5.737,916 4.635,917 5.563,919 8.249,920 4.37,921 7.929,922 1.482,923 9.525,924 5.49,925 6.469,926 7.778,927 1.37,928 11.326,929 6.202,930 9.338,931 1.473,932 11.311,933 4.155,934 7.099,935 8.713,937 13.335,938 6.709,939 10.777,940 1.288,941 13.138,942 4.037,943 8.499,944 10.488,945 1.275,946 16.018,947 8.096,948 12.241,949 1.225,950 14.997,951 3.513,952 9.458,953 11.764,955 18.354,956 8.947,957 13.724,958 0.578,959 16.879,960 2.858,961 10.715,962 13.386,963 1.193,964 20.924,965 10.172,966 3.446,967 0.407,968 18.781,969 1.411,970 11.816,971 14.813,973 23.384,974 11.182,975 3.268,976 12.904,977 20.698,978 0.994,979 13.031,980 16.382,981 1.123,982 25.925,983 12.348,984 2.857,985 11.663,986 22.628,987 4.756,988 14.193,989 17.876,991 28.432,992 13.43,993 2.755,994 8.828,995 24.568,996 4.694,997 15.398,998 19.427,999 1.062,1000 30.967,1001 14.577,1002 2.334,1003 8.383,1004 26.517,1005 3.884,1006 16.588,1007 20.951,1009 33.493,1010 15.693,1011 2.311,1012 7.258,1013 28.473,1014 3.802,1015 17.795,1016 22.499,1017 1.01,1018 36.03,1019 16.835,1020 2.094,1021 6.648,1022 30.436,1023 3.136,1024 18.999,1025 24.036,1027 38.565,1028 17.966,1029 18599,1030 39433,1031 24.679,1032 37.858,1033 60.505,1034 63.193,1035 62.713,1036 59.944,1037 59.678,1038 81.778,1039 3.68,1040 181.995,1041 55.15,1042 5.746,1043 6.719,1044 6.924,1045 5.449,1046 5.446,1047 7.756,1048 1.96,1049 20.658,1050 5.174,1051 24.436,1052 1.551,1053 1.62,1054 1.608,1055 1.537,1056 1.53,1057 2.097,1058 0.094,1059 4.667,1060 1.414,1061 4.159,1062 4.182,1063 4.739,1064 4.085,1065 8.242,1066 4.079,1067 4.071,1068 4.049,1069 4.14,1070 4.033,1071 8.199,1072 3.967,1073 3.885,1074 3.895,1075 4.052,1076 3.835,1077 8.161,1078 3.827,1079 3.706,1080 3.713,1081 3.79,1082 3.573,1083 7.717,1084 3.555,1085 3.518,1086 3.537,1087 3.592,1088 3.432,1089 7.428,1090 3.401,1091 3.408,1092 3.444,1093 3.503,1094 3.226,1095 6.999,1096 3.231,1097 3.082,1098 3.111,1099 3.337,1100 2.925,1101 5.081,1102 2.933,1103 2.967,1104 2.991,1105 3.111,1106 2.827,1107 4.923,1108 2.809,1109 0.126,1110 0.121,1111 0.19,1112 0.112,1113 0.088,1114 4.897,1115 0.122,1116 4.719,1117 0.025,1118 7.405,1119 0.331,1120 4.364,1121 0.081,1122 3.446,1123 4.756,1124 0.98,1125 12.904,1126 3.174,1127 1.953,1128 1.957,1129 2.02,1130 2.043,1131 1.177,1132 2.049,1133 1.933,1134 1.934,1135 1.896,1136 2.025,1137 1.127,1138 2.031,1139 1.837,1140 1.823,1141 1.894,1142 1.909,1143 1.026,1144 1.918,1145 1.69,1146 1.653,1147 1.824,1148 1.849,1149 0.912,1150 1.844,1151 1.486,1152 1.485,1153 1.626,1154 1.7,1155 0.668,1156 1.696,1157 1.317,1158 1.291,1159 1.312,1160 1.491,1161 0.52,1162 1.521,1163 1.036,1164 1.006,1165 1.12,1166 1.224,1167 0.296,1168 1.229,1169 0.885,1170 0.877,1171 1.102,1172 1.08,1173 0.175,1174 1.075,1175 4.369,1177 5.74,1178 2.398,1179 7.29,1180 4.844,1181 8.926,1182 7.034,1183 10.61,1185 1.759,1186 12.144,1187 40.438,1191 1.602,1192 5.969,1199 37.635,1200 103.896,1201 202.975,1202 245.784,1203 278.539,1204 282.539,1205 282.539,1206 119.844,1207 8.132,1208 77.4,1209 85.78,1210 23,1211 12.945,1212 4.755,1213 4,1214 62.195,1215 174,1216 170,1217 0.171,1218 237.249,1219 423.34,1220 570.648,1221 44162,1222 9.8,1223 26.198,1224 0.728,1225 0.571,1226 24.837,1227 20.557,1228 16.957,1229 0.435,1230 0.315,1231 10.062,1232 14.824,1233 9.691,1234 7.955,1235 17.14,1236 12.303,1237 16.682,1238 0.288,1239 0.173,1240 17.086,1241 10.017,1242 13.252,1243 0.177,1244 0.092,1245 13.681,1246 6.925,1247 11.198,1248 0.113,1249 0.049,1250 11.917,1251 4.896,1252 8.613,1253 0.072,1254 0.026,1255 8.97,1256 3.084,1257 0.273,1258 122.338,1259 0.201,1260 32.974,1261 0.461,1262 194,1263 864.521,1264 287.943,1265 828.857,1266 1062.81,1267 758,1268 230,1269 680.555,1270 326.168,1271 723.096,1272 1060.1,1273 676,1274 5.447}
{0 CHEMBL479263,1 1.893,2 13.892,3 4.563,4 20.817,5 126.41,6 9.32,7 0.3,8 4.185,9 4.268,10 4.024,11 3.762,12 5.446,13 3.76,14 4.755,15 4.882,16 4.402,17 4.174,18 6.22,19 4.172,20 5.086,21 5.242,22 4.578,23 4.339,24 6.597,25 4.325,26 5.198,27 5.397,28 4.511,29 4.316,30 6.769,31 4.289,32 5.112,33 5.306,34 4.37,35 4.255,36 6.607,37 4.213,38 5.092,39 5.304,40 4.319,41 4.217,42 6.578,43 4.17,44 4.975,45 5.152,46 4.346,47 4.176,48 6.438,49 4.144,50 5.035,51 5.229,52 4.331,53 4.133,54 6.572,55 4.081,56 0.334,57 1.208,58 9.397,59 6.116,60 70.513,61 5.713,62 0.858,63 1.974,64 18.196,65 10.483,66 142.832,67 10.687,68 1.635,69 2.769,70 31.596,71 14.601,72 309.596,73 14.048,74 2.123,75 2.52,76 42.308,77 15.238,78 396.989,79 16.531,80 1.863,81 2.189,82 36.889,83 14.199,84 343.171,85 15.858,86 1.904,87 1.977,88 38.171,89 13.992,90 347.39,91 16.435,92 1.382,93 1.984,94 30.966,95 12.915,96 266.629,97 13.977,98 1.857,99 2.066,100 37.174,101 13.492,102 344.725,103 13.64,104 101,105 61,106 0.306,107 0.633,108 0.785,109 0.877,110 0.9,111 0.9,112 3.642,113 0.95,114 -5.42,115 -5.3,116 -4.95,118 43.1,119 1,120 4,122 1,124 1,129 2,130 1,132 1,133 5,134 1,135 6,145 2,154 11,157 2,158 6,160 3,162 1,164 11,167 10,170 2,171 11,174 2,175 12,179 2,180 10,184 9,189 1,192 14,195 1,196 7,198 1,200 2,202 15,206 5,210 3,211 10,214 3,215 5,217 1,219 1,222 4,226 9,230 2,233 3,236 2674,237 23.565,238 23.565,239 23.565,240 23.565,241 23.565,242 20.955,243 26.572,244 13.166,245 24.022,246 19.647,247 19.647,248 19.647,249 19.647,250 19.647,251 15.509,252 31.097,253 6.191,254 20.533,255 3.965,256 1.941,257 1,258 0.427,259 0.289,260 0.289,261 4.323,267 1091,268 4.637,270 88.539,271 365.606,274 167.885,277 1.955,278 98.866,280 0.5,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.74,288 86.5,289 514,290 4.897,291 4.719,292 7.694,293 4.59,294 3.604,295 4.756,296 1.946,297 14.225,298 3.553,299 4.75,300 4.026,301 7.405,302 4.364,303 3.446,304 4.044,305 0.98,306 12.904,307 3.133,308 4.216,309 3.434,310 6.164,311 3.794,312 2.84,313 3.865,314 0.827,315 8.913,316 2.706,317 4.166,318 3.349,319 5.982,320 3.695,321 2.756,322 3.802,323 0.359,324 8.383,325 2.578,326 3.799,327 3.295,328 5.941,329 3.494,330 2.533,331 3.05,333 8.248,334 2.439,335 3.695,336 3.274,337 5.688,338 3.428,339 2.43,340 2.889,342 7.456,343 2.395,344 3.555,345 2.722,346 5.461,347 3.191,348 2.205,349 2.806,351 6.588,352 2.166,353 3.44,354 2.697,355 5.166,356 3.066,357 2.086,358 2.69,360 6.219,361 2.018,362 3.421,363 2.54,364 4.941,365 2.953,366 2.005,367 2.599,369 5.597,370 1.857,371 2.907,372 2.113,373 4.626,374 2.448,375 1.477,376 2.057,378 4.187,379 1.44,380 2.82,381 2.102,382 4.395,383 2.421,384 1.441,385 1.949,387 4.056,388 1.38,389 2.668,390 1.976,391 4.045,392 2.353,393 1.414,394 1.608,395 3.524,396 1.311,397 2.39,398 1.355,399 3.922,400 2.14,401 1.15,402 1.279,403 2.743,404 1.134,405 2.12,406 1.307,407 3.512,408 1.594,409 0.609,410 0.84,411 1.531,412 0.594,413 1.643,414 0.984,415 3.285,416 1.244,417 0.408,418 0.477,419 0.996,420 0.33,421 16.895,422 0.457,423 1.455,424 0.039,425 44.25,426 1.196,427 21,428 0.568,429 23.25,430 0.628,431 37.384,432 1.01,433 41.905,434 0.722,435 43.703,436 1.181,437 8.724,438 0.236,439 8.58,440 0.232,441 0.193,442 0.079,443 0.349,445 5,447 0.514,448 0.95,449 0.679,450 1.162,451 0.554,452 0.921,453 0.545,454 0.928,455 0.693,456 0.997,457 0.534,458 0.932,459 0.807,460 0.991,461 0.936,462 1.159,463 0.801,464 1.144,465 0.708,466 0.765,467 0.901,468 0.945,469 0.667,470 1.004,471 0.643,472 0.655,473 0.851,474 0.952,475 0.687,476 1.084,477 0.626,478 0.568,479 0.72,480 0.728,481 0.697,482 0.881,483 0.681,484 0.87,485 0.895,486 1.105,487 0.701,488 1.097,489 0.886,490 0.827,491 1.111,492 0.95,493 0.913,494 1.028,495 11.5,496 0.367,497 6.444,498 4.701,499 2.902,500 1.667,501 1.034,502 0.876,503 0.699,504 0.452,505 20265,506 84855,507 1.964,508 36.2,509 9,510 9,513 1,514 2,517 1.782,518 1.762,519 3.707,520 -0.284,525 109.818,526 1.893,527 3.917,528 4.858,529 5.431,530 5.569,531 5.569,532 3.18,533 4.939,534 5.183,535 3.905,536 2600.74,537 9.124,538 42245.2,542 339.763,543 1.795,544 5.084,545 0.287,546 0.009,547 0.106,548 0.072,549 0.048,550 0.031,551 0.02,552 0.017,553 0.015,554 0.01,555 0.614,556 0.17,557 0.88,558 0.651,559 203.659,560 0.012,561 -0.042,562 0.128,563 -0.04,564 -0.032,565 0.03,566 0.088,567 -0.071,568 0.091,569 -0.007,570 0.098,571 0.026,572 0.004,573 -0.069,574 -0.022,575 -0.153,576 0.01,577 -0.165,578 0.09,579 0.019,580 0.058,581 -0.017,582 0.132,583 0.008,584 0.097,585 0.055,586 0.036,587 -0.052,588 0.071,589 -0.058,590 0.121,591 0.096,592 0.184,593 0.152,594 0.072,595 0.176,596 0.042,597 -0.12,598 0.048,599 -0.127,600 0.036,601 -0.066,602 -0.01,603 -0.036,604 -0.022,605 0.054,606 -0.014,607 -0.01,608 5.776,609 5.904,610 0.568,611 39.953,612 1.048,613 1.145,614 4.19,615 17.56,616 0.678,617 3.714,618 4.127,619 4.382,620 4.663,621 4.86,622 4.898,623 4.97,624 5.081,625 5.176,626 5.198,627 8.042,628 0.678,629 540.55,630 3.714,631 5.313,632 6.18,633 7.102,634 7.99,635 8.914,636 9.811,637 10.737,638 11.64,639 12.567,640 3.4,644 2,651 5,656 7,658 12,669 5,670 58,671 18,672 2,673 40,675 61,676 25,677 12,678 7,679 5,680 5,681 4,682 5,685 1,686 1,687 1,688 4,691 4,693 18,694 7,696 6,697 1,698 4,699 2,701 4,705 5,707 21,708 11,709 1,710 12,711 1,714 2,717 0.75,718 4,730 1,731 3,734 1,738 1,741 3,742 1,748 3,750 1,752 1,754 5,756 37,758 1,760 5,761 1,765 1,766 1,772 5,773 6.9,776 4,779 21,780 10.831,781 7.792,782 3.406,785 2.877,786 1.352,787 0.983,788 7.226,789 11.052,790 3.97,791 4.615,792 5.091,793 5.592,794 6.046,795 6.194,796 6.366,797 6.564,798 6.848,799 7.022,800 1,801 65,802 14.86,803 7.758,804 8.649,805 24.818,806 21.27,807 3.149,808 116.5,812 235.422,813 158.903,814 19.529,816 94.603,817 74.801,818 5.807,819 153.096,820 330.025,821 94.33,822 8.825,823 31.773,824 72.141,825 106.769,826 53.527,827 74.801,828 235.422,830 235.422,831 172.625,832 169.403,833 5.807,835 310.223,836 94.603,839 40.598,840 110.318,841 27.517,843 310.223,844 114.132,845 158.903,847 5.807,848 235.422,849 77.937,850 78.283,851 16.405,852 169.403,853 235.422,854 188.933,855 158.903,857 0.61,858 0.356,859 0.185,860 0.1,861 30,862 16,863 0.098,864 6,865 1,866 1.095,867 4.445,868 364.88,869 0.095,870 21,871 190.75,873 1,874 26.882,875 9.946,876 5.427,878 188.933,879 3.49,884 -7.727,886 16.405,887 583.258,888 52,889 -4.859,890 49.919,891 2.206,893 -0.266,895 60.756,896 66.435,897 0.323,898 0.669,899 0.829,900 0.927,901 0.951,902 0.951,903 5.278,904 2.086,905 6.26,906 6.588,907 4.812,908 5.303,909 2.37,910 7.186,911 4.725,912 6.555,913 2.005,914 7.909,915 6.219,916 4.796,917 5.503,918 1.668,919 8.551,920 4.64,921 7.934,922 1.477,923 9.67,924 5.597,925 6.589,926 7.597,927 3.104,928 11.63,929 6.417,930 9.349,931 1.441,932 11.499,933 4.187,934 7.321,935 8.536,936 3.145,937 13.812,938 7.079,939 10.794,940 1.414,941 13.373,942 4.056,943 8.713,944 10.232,945 4.184,946 16.547,947 8.454,948 12.262,949 1.15,950 15.28,951 3.524,952 9.754,953 11.486,954 4.56,955 19.026,956 9.44,957 13.749,958 0.609,959 17.213,960 2.743,961 11.032,962 13.058,963 5.413,964 21.677,965 10.697,966 3.604,967 0.408,968 19.165,969 1.531,970 12.2,971 14.456,972 5.938,973 24.257,974 11.827,975 3.446,976 14.225,977 21.133,978 0.996,979 13.452,980 15.991,981 6.7,982 26.891,983 13.057,984 2.84,985 12.904,986 23.114,987 4.756,988 14.673,989 17.459,990 7.295,991 29.506,992 14.251,993 2.756,994 8.913,995 25.104,996 4.044,997 15.924,998 18.987,999 8.011,1000 32.138,1001 15.483,1002 2.533,1003 8.383,1004 27.102,1005 3.865,1006 17.168,1007 20.491,1008 8.64,1009 34.766,1010 16.706,1011 2.43,1012 8.248,1013 29.107,1014 3.802,1015 18.424,1016 22.022,1017 9.332,1018 37.4,1019 17.945,1020 2.205,1021 7.456,1022 31.116,1023 3.05,1024 19.679,1025 23.546,1026 9.979,1027 40.035,1028 19.184,1029 19638,1030 40537,1031 24.967,1032 39.301,1033 62.337,1034 66.094,1035 65.054,1036 61.371,1037 61.332,1038 78.03,1039 8.222,1040 192.387,1041 58.538,1042 5.862,1043 6.719,1044 7.17,1045 5.649,1046 5.604,1047 7.756,1048 3.356,1049 22.255,1050 5.553,1051 26.114,1052 1.558,1053 1.652,1054 1.626,1055 1.534,1056 1.533,1057 1.951,1058 0.206,1059 4.81,1060 1.463,1061 4.102,1062 4.107,1063 4.739,1064 4.063,1065 8.245,1066 3.997,1067 4.031,1068 4.035,1069 3.993,1070 3.948,1071 8.237,1072 3.935,1073 3.896,1074 3.923,1075 3.853,1076 3.818,1077 8.199,1078 3.82,1079 3.707,1080 3.715,1081 3.79,1082 3.572,1083 8.161,1084 3.552,1085 3.532,1086 3.553,1087 3.512,1088 3.418,1089 8.161,1090 3.391,1091 3.433,1092 3.468,1093 3.333,1094 3.262,1095 7.717,1096 3.261,1097 3.239,1098 3.304,1099 3.119,1100 3.062,1101 7.43,1102 3.061,1103 3.048,1104 3.108,1105 2.957,1106 2.849,1107 7.426,1108 2.858,1109 0.122,1110 0.118,1111 0.192,1112 0.115,1113 0.09,1114 4.897,1115 0.119,1116 4.719,1117 0.049,1118 7.694,1119 0.356,1120 4.59,1121 0.089,1122 3.604,1123 4.756,1124 1.946,1125 14.225,1126 3.553,1127 1.947,1128 1.956,1129 2.084,1130 2.048,1131 1.455,1132 2.063,1133 1.925,1134 1.901,1135 1.987,1136 2.02,1137 1.15,1138 2.035,1139 1.881,1140 1.855,1141 1.895,1142 1.985,1143 1.127,1144 1.988,1145 1.602,1146 1.578,1147 1.757,1148 1.781,1149 0.984,1150 1.772,1151 1.479,1152 1.468,1153 1.631,1154 1.7,1155 0.784,1156 1.684,1157 1.321,1158 1.318,1159 1.532,1160 1.51,1161 0.68,1162 1.532,1163 1.283,1164 1.209,1165 1.349,1166 1.477,1167 0.539,1168 1.509,1169 1.012,1170 0.947,1171 1.264,1172 1.265,1173 0.503,1174 1.29,1175 4.394,1177 5.784,1178 2.398,1179 7.354,1180 4.949,1181 9.013,1182 7.222,1183 10.722,1185 1.87,1187 67.514,1190 1.913,1191 1.577,1195 1.441,1196 -0.578,1199 39.327,1200 109.818,1201 227.177,1202 281.789,1203 315.008,1204 323.008,1205 323.008,1206 163.207,1207 8.175,1208 83.55,1209 91.93,1210 23,1211 13.075,1212 4.248,1213 3.7,1214 64.868,1215 178,1216 174,1217 0.174,1218 238.427,1219 449.44,1220 573.522,1221 45720,1222 8.6,1223 27.121,1224 0.733,1225 0.548,1226 23.019,1227 20.272,1228 17.303,1229 0.433,1230 0.317,1231 11.086,1232 15.612,1233 10.768,1234 8.802,1235 16.105,1236 12.663,1237 17.432,1238 0.286,1239 0.178,1240 15.928,1241 10.844,1242 13.864,1243 0.175,1244 0.099,1245 12.695,1246 7.785,1247 11.577,1248 0.11,1249 0.055,1250 11.165,1251 5.794,1252 8.952,1253 0.07,1254 0.031,1255 8.512,1256 3.917,1257 0.276,1258 119.433,1259 0.2,1260 33.614,1261 0.472,1262 202,1263 968.336,1264 271.239,1265 814.045,1266 1032.63,1267 742,1268 241,1269 678.564,1270 320.549,1271 689.72,1272 1012.64,1273 644,1274 5.42}
{0 CHEMBL479439,1 1.977,2 13.865,3 5.48,4 30.035,5 135.587,6 9.887,7 0.3,8 4.179,9 4.257,10 4.072,11 3.804,12 5.388,13 3.78,14 4.748,15 4.87,16 4.467,17 4.23,18 6.164,19 4.199,20 5.076,21 5.222,22 4.641,23 4.41,24 6.458,25 4.36,26 5.198,27 5.384,28 4.653,29 4.383,30 6.757,31 4.327,32 5.104,33 5.295,34 4.434,35 4.297,36 6.565,37 4.238,38 5.091,39 5.292,40 4.459,41 4.279,42 6.574,43 4.213,44 4.97,45 5.137,46 4.447,47 4.266,48 6.327,49 4.194,50 5.03,51 5.204,52 4.423,53 4.251,54 6.47,55 4.136,56 0.273,57 1.014,58 8.066,59 5.775,60 51.401,61 5.599,62 0.745,63 1.664,64 16.949,65 10.164,66 109.67,67 10.775,68 1.291,69 2.32,70 32.761,71 14.862,72 224.099,73 14.575,74 1.976,75 2.364,76 49.713,77 16.226,78 337.321,79 17.139,80 1.621,81 2.082,82 36.975,83 14.751,84 285.674,85 16.259,86 1.739,87 1.816,88 41.574,89 14.771,90 295.016,91 16.939,92 1.155,93 1.701,94 32.818,95 13.471,96 198.817,97 14.315,98 1.659,99 1.66,100 45.697,101 14.588,102 265.747,103 14.507,104 101,105 61,106 0.319,107 0.66,108 0.815,109 0.894,110 0.9,111 0.9,112 3.642,113 1.006,114 -5.62,115 -5.49,116 -5.12,118 43.1,119 1,120 4,122 1,124 1,129 2,130 1,132 1,133 5,134 1,135 6,145 2,154 10,157 2,158 6,160 3,162 1,164 16,167 9,170 2,171 13,174 2,175 14,179 2,180 13,184 8,189 1,192 11,195 1,196 10,198 1,200 2,202 17,206 5,210 3,211 16,214 3,215 6,217 1,219 1,222 11,226 8,230 1,233 7,236 2655,237 23.565,238 23.565,239 23.565,240 23.565,241 23.565,242 20.955,243 26.226,244 13.188,245 24.164,246 19.657,247 19.657,248 19.657,249 19.657,250 19.657,251 15.513,252 29.469,253 6.206,254 20.816,255 3.881,256 1.774,257 0.812,258 0.323,259 0.289,260 0.289,261 4.323,262 2,267 1089,268 4.637,270 87.94,271 364.588,274 166.865,277 1.93,278 85.599,280 0.5,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.74,288 84.167,289 513,290 4.897,291 4.719,292 7.694,293 4.59,294 3.604,295 4.756,296 1.946,297 14.226,298 3.553,299 4.75,300 4.027,301 7.405,302 4.364,303 3.446,304 4.048,305 0.98,306 12.904,307 3.133,308 4.231,309 3.434,310 6.217,311 3.81,312 2.872,313 3.87,314 0.827,315 9.153,316 2.671,317 4.166,318 3.353,319 5.986,320 3.695,321 2.756,322 3.802,323 0.359,324 8.386,325 2.578,326 3.798,327 3.274,328 5.981,329 3.46,330 2.488,331 3.046,333 8.347,334 2.432,335 3.655,336 3.254,337 5.666,338 3.404,339 2.418,340 2.846,342 7.365,343 2.342,344 3.554,345 2.763,346 5.461,347 3.191,348 2.205,349 2.798,351 6.587,352 2.166,353 3.438,354 2.697,355 4.957,356 2.968,357 2.081,358 2.699,360 5.781,361 1.858,362 3.424,363 2.615,364 4.94,365 2.953,366 2.005,367 2.614,369 5.597,370 1.767,371 2.907,372 2.26,373 4.635,374 2.472,375 1.508,376 2.057,378 4.22,379 1.442,380 2.857,381 2.102,382 4.395,383 2.421,384 1.473,385 1.979,387 4.118,388 1.38,389 2.659,390 1.802,391 4.189,392 2.351,393 1.402,394 1.605,395 3.664,396 1.248,397 2.39,398 1.355,399 3.901,400 2.13,401 1.141,402 1.281,403 2.728,404 1.119,405 2.138,406 1.298,407 3.511,408 1.606,409 0.626,410 0.864,411 1.566,412 0.601,413 1.643,414 0.986,415 3.291,416 1.248,417 0.411,418 0.479,419 1.007,420 0.331,421 17.752,422 0.48,423 1.455,424 0.039,425 44.25,426 1.196,427 21,428 0.568,429 23.25,430 0.628,431 39.641,432 1.071,433 41.048,434 0.708,435 41.657,436 1.126,437 8.462,438 0.229,439 8.841,440 0.239,441 0.232,442 0.075,443 0.332,445 3,447 0.51,448 0.999,449 0.599,450 1.049,451 0.555,452 0.861,453 0.534,454 0.943,455 0.624,456 0.884,457 0.517,458 0.87,459 0.858,460 1.053,461 0.92,462 1.11,463 0.844,464 1.11,465 0.724,466 0.818,467 0.858,468 0.961,469 0.68,470 1.014,471 0.66,472 0.728,473 0.683,474 0.896,475 0.707,476 1.013,477 0.636,478 0.596,479 0.684,480 0.727,481 0.711,482 0.849,483 0.767,484 0.848,485 0.925,486 1.023,487 0.763,488 1.059,489 0.929,490 0.684,491 1.388,492 1.037,493 0.914,494 1.144,495 11.5,496 0.334,497 6.444,498 4.701,499 2.902,500 1.754,501 1.186,502 0.764,503 0.674,504 0.476,505 20141,506 83959,507 1.964,508 36.2,509 9,510 9,513 1,514 2,517 1.782,518 1.762,519 3.692,520 -0.284,525 114.673,526 1.977,527 4.084,528 5.046,529 5.535,530 5.569,531 5.569,532 3.162,533 4.939,534 5.183,535 3.893,536 2592.89,537 9.125,538 41995.5,542 339.763,543 1.795,544 5.084,545 0.287,546 0.008,547 0.106,548 0.072,549 0.047,550 0.032,551 0.022,552 0.014,553 0.015,554 0.011,555 0.614,556 0.17,557 0.75,558 0.651,559 203.444,560 0.017,561 -0.053,562 0.08,563 -0.049,564 -0.041,565 0.026,566 0.111,567 -0.045,568 0.074,569 0.034,570 0.122,571 0.045,572 -0.043,573 -0.112,574 -0.056,575 -0.141,576 -0.031,577 -0.152,578 0.141,579 0.043,580 0.057,581 -0.028,582 0.181,583 -0.022,584 0.118,585 0.042,586 0.071,587 -0.013,588 0.11,589 -0.007,590 0.166,591 0.118,592 0.171,593 0.164,594 0.121,595 0.192,596 -0.025,597 -0.087,598 -0.004,599 -0.057,600 -0.011,601 -0.048,602 -0.058,603 0.047,604 -0.201,606 -0.045,607 -0.123,608 5.736,609 5.987,610 0.568,611 39.426,612 1.041,613 1.132,614 4.387,615 19.248,616 0.709,617 3.714,618 4.127,619 4.382,620 4.673,621 4.868,622 4.913,623 4.977,624 5.081,625 5.159,626 5.193,627 7.989,628 0.693,629 573.45,630 3.714,631 5.313,632 6.18,633 7.104,634 7.992,635 8.918,636 9.815,637 10.743,638 11.647,639 12.575,640 3.4,644 2,651 5,656 7,658 12,669 5,670 58,671 18,672 2,673 40,675 61,676 25,677 12,678 7,679 5,680 5,681 4,682 5,683 2,685 1,686 1,687 1,688 4,691 4,693 18,694 7,696 6,697 1,698 4,699 2,701 4,705 3,707 21,708 9,709 1,710 12,711 3,714 2,717 0.75,718 4,730 1,731 3,734 1,738 1,741 3,742 1,748 3,750 1,752 1,753 2,754 3,756 37,758 1,760 5,761 1,765 1,766 1,772 5,773 6.9,776 4,779 21,780 10.831,781 7.792,782 3.406,785 2.903,786 1.355,787 0.981,788 7.717,789 11.079,790 3.97,791 4.615,792 5.091,793 5.597,794 6.047,795 6.203,796 6.355,797 6.558,798 6.824,799 7.029,800 1,801 65,802 14.704,803 7.51,804 8.438,805 25.097,806 21.487,807 2.938,808 108.722,812 235.422,813 147.662,814 19.529,815 78.297,816 94.603,817 44.88,818 5.807,819 141.855,820 408.322,821 64.41,822 8.825,823 31.773,824 72.141,825 106.769,826 42.286,827 44.88,828 235.422,829 78.297,830 235.422,831 161.384,832 139.483,833 84.105,835 280.302,836 94.603,839 40.598,840 99.077,841 105.814,843 280.302,844 114.132,845 225.96,847 5.807,848 235.422,849 66.696,850 78.283,851 16.405,852 217.78,853 235.422,854 159.012,855 225.96,857 0.609,858 0.355,859 0.188,860 0.101,861 30,862 16,863 0.098,864 6,865 1,866 1.095,867 4.434,868 365.875,869 0.095,870 21,871 190.75,873 1,874 27.564,875 10.359,876 5.692,878 159.012,879 5.208,884 -4.35,886 16.405,887 620.394,888 52,889 -4.819,890 50.178,891 2.355,893 0.142,895 60.378,896 65.644,897 0.338,898 0.697,899 0.861,900 0.945,901 0.951,902 0.951,903 5.278,904 2.081,905 6.26,906 6.587,907 4.812,908 5.303,909 2.37,910 7.188,911 4.704,912 6.555,913 2.005,914 7.909,915 5.781,916 4.796,917 5.503,918 1.668,919 8.555,920 4.605,921 7.934,922 1.508,923 9.67,924 5.597,925 6.589,926 7.597,927 3.104,928 11.635,929 6.392,930 9.349,931 1.473,932 11.5,933 4.22,934 7.321,935 8.536,936 3.145,937 13.818,938 7.05,939 10.794,940 1.402,941 13.375,942 4.118,943 8.714,944 10.232,945 4.184,946 16.552,947 8.433,948 12.262,949 1.141,950 15.283,951 3.664,952 9.756,953 11.487,954 4.56,955 19.031,956 9.42,957 13.749,958 0.626,959 17.216,960 2.728,961 11.034,962 13.059,963 5.413,964 21.681,965 10.682,966 3.604,967 0.411,968 19.169,969 1.566,970 12.203,971 14.458,972 5.938,973 24.26,974 11.814,975 3.446,976 14.226,977 21.137,978 1.007,979 13.456,980 15.993,981 6.7,982 26.893,983 13.047,984 2.872,985 12.904,986 23.118,987 4.756,988 14.677,989 17.461,990 7.295,991 29.507,992 14.242,993 2.756,994 9.153,995 25.108,996 4.048,997 15.928,998 18.989,999 8.011,1000 32.139,1001 15.476,1002 2.488,1003 8.386,1004 27.106,1005 3.87,1006 17.172,1007 20.493,1008 8.64,1009 34.767,1010 16.701,1011 2.418,1012 8.347,1013 29.11,1014 3.802,1015 18.427,1016 22.024,1017 9.332,1018 37.401,1019 17.941,1020 2.205,1021 7.365,1022 31.12,1023 3.046,1024 19.682,1025 23.548,1026 9.979,1027 40.035,1028 19.181,1029 19520,1030 40201,1031 24.967,1032 41.142,1033 62.406,1034 66.007,1035 65.067,1036 61.661,1037 61.445,1038 78.15,1039 8.222,1040 192.714,1041 57.721,1042 5.862,1043 6.719,1044 7.17,1045 5.65,1046 5.604,1047 7.756,1048 3.356,1049 22.258,1050 5.553,1051 26.045,1052 1.56,1053 1.65,1054 1.627,1055 1.542,1056 1.536,1057 1.954,1058 0.206,1059 4.818,1060 1.443,1061 4.101,1062 4.105,1063 4.739,1064 4.063,1065 8.242,1066 3.998,1067 4.03,1068 4.034,1069 4.105,1070 3.954,1071 8.199,1072 3.938,1073 3.888,1074 3.907,1075 3.945,1076 3.846,1077 8.161,1078 3.835,1079 3.707,1080 3.715,1081 3.79,1082 3.572,1083 7.717,1084 3.552,1085 3.531,1086 3.551,1087 3.596,1088 3.419,1089 7.43,1090 3.391,1091 3.431,1092 3.465,1093 3.51,1094 3.266,1095 7.426,1096 3.263,1097 3.233,1098 3.298,1099 3.335,1100 3.082,1101 6.999,1102 3.068,1103 3.037,1104 3.094,1105 3.157,1106 2.88,1107 5.015,1108 2.874,1109 0.122,1110 0.118,1111 0.192,1112 0.115,1113 0.09,1114 4.897,1115 0.119,1116 4.719,1117 0.049,1118 7.694,1119 0.356,1120 4.59,1121 0.089,1122 3.604,1123 4.756,1124 1.946,1125 14.226,1126 3.553,1127 1.947,1128 1.956,1129 2.084,1130 2.045,1131 1.455,1132 2.062,1133 1.926,1134 1.905,1135 1.964,1136 2.017,1137 1.163,1138 2.034,1139 1.885,1140 1.863,1141 1.895,1142 1.959,1143 1.127,1144 1.975,1145 1.602,1146 1.578,1147 1.757,1148 1.779,1149 0.986,1150 1.771,1151 1.48,1152 1.469,1153 1.631,1154 1.694,1155 0.789,1156 1.683,1157 1.322,1158 1.32,1159 1.535,1160 1.505,1161 0.697,1162 1.531,1163 1.286,1164 1.213,1165 1.351,1166 1.477,1167 0.539,1168 1.509,1169 1.017,1170 0.958,1171 1.264,1172 1.251,1173 0.51,1174 1.288,1175 4.394,1177 5.784,1178 2.398,1179 7.354,1180 4.949,1181 9.014,1182 7.222,1183 10.724,1185 1.951,1186 12.29,1187 40.554,1190 2.458,1191 1.626,1195 1.61,1196 -0.481,1199 40.216,1200 114.673,1201 236.886,1202 292.643,1203 321.008,1204 323.008,1205 323.008,1206 145.986,1207 8.175,1208 83.55,1209 91.93,1210 23,1211 13.083,1212 4.248,1213 3.7,1214 64.86,1215 177,1216 175,1217 0.176,1218 252.696,1219 467.72,1220 608.339,1221 45720,1222 8.6,1223 27.121,1224 0.733,1225 0.589,1226 25.76,1227 21.784,1228 17.303,1229 0.433,1230 0.335,1231 11.197,1232 15.232,1233 10.769,1234 8.799,1235 17.486,1236 13.418,1237 17.454,1238 0.286,1239 0.191,1240 17.858,1241 11.675,1242 13.736,1243 0.174,1244 0.106,1245 14.165,1246 8.39,1247 11.747,1248 0.111,1249 0.059,1250 12.466,1251 6.262,1252 8.957,1253 0.069,1254 0.033,1255 9.305,1256 4.193,1257 0.278,1258 124.052,1259 0.2,1260 33.575,1261 0.476,1262 202,1263 848.521,1264 294.616,1265 813.922,1266 1032.53,1267 742,1268 241,1269 645.623,1270 334.695,1271 689.428,1272 1011.39,1273 644,1274 5.119}
{0 CHEMBL479633,1 1.958,2 13.059,3 4.651,4 21.627,5 133.365,6 9.882,7 0.297,8 4.12,9 4.194,10 4.058,11 3.796,12 5.247,13 3.736,14 4.691,15 4.81,16 4.528,17 4.242,18 6.032,19 4.157,20 4.987,21 5.136,22 4.647,23 4.372,24 6.219,25 4.275,26 5.087,27 5.291,28 4.44,29 4.318,30 6.352,31 4.221,32 5.033,33 5.224,34 4.439,35 4.269,36 6.35,37 4.187,38 5.019,39 5.236,40 4.215,41 4.234,42 6.187,43 4.127,44 4.905,45 5.082,46 4.338,47 4.197,48 6.174,49 4.106,50 4.962,51 5.16,52 4.265,53 4.161,54 6.318,55 4.03,56 0.174,57 0.833,58 8.375,59 5.519,60 29.241,61 5.602,62 0.564,63 1.399,64 23.635,65 10.545,66 71.556,67 10.918,68 0.797,69 1.803,70 38.37,71 14.281,72 112.297,73 14.391,74 1.077,75 1.899,76 44.615,77 15.244,78 171.916,79 16.743,80 1.074,81 1.677,82 36.673,83 14.194,84 148.289,85 16.011,86 1.061,87 1.722,88 39.979,89 14.691,90 152.945,91 16.774,92 0.768,93 1.584,94 31.224,95 13.005,96 116.606,97 14.248,98 1.227,99 1.696,100 37.32,101 13.937,102 198.52,103 14.388,104 65,105 56,106 0.32,107 0.673,108 0.819,109 0.871,110 0.871,111 0.871,112 3.561,113 1.096,114 -5.09,115 -4.99,116 -4.67,118 41.8,119 1,120 4,122 1,124 1,129 2,130 1,132 1,133 5,134 1,135 2,143 2,145 2,154 12,157 2,158 6,160 3,162 1,164 16,167 12,170 3,171 14,174 2,175 11,179 1,180 10,184 14,189 3,192 15,195 1,196 7,198 1,200 2,202 18,206 7,210 3,211 16,214 3,215 5,217 1,219 1,222 8,226 10,230 2,233 6,236 2182,237 21.858,238 21.858,239 21.858,240 21.858,241 21.858,242 19.483,243 25.256,244 12.332,245 22.587,246 18.208,247 18.208,248 18.208,249 18.208,250 18.208,251 14.397,252 29.28,253 5.839,254 19.608,255 3.823,256 1.661,257 0.77,258 0.45,259 0.45,260 0.45,261 4.244,262 1,263 1,266 1,267 948,268 4.528,270 185.445,271 209.671,274 152.697,277 1.948,278 61.938,280 0.75,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.78,288 75.167,289 444,290 4.872,291 4.694,292 7.694,293 4.589,294 3.604,295 4.729,296 1.946,297 14.225,298 3.553,299 4.749,300 4.026,301 7.318,302 4.306,303 3.413,304 4.042,305 0.98,306 12.555,307 3.044,308 4.123,309 3.431,310 6.159,311 3.659,312 2.716,313 3.74,314 0.827,315 8.872,316 2.616,317 4.022,318 3.347,319 5.933,320 3.556,321 2.682,322 3.613,323 0.359,324 8.222,325 2.448,326 3.793,327 3.267,328 5.698,329 3.438,330 2.457,331 3.038,333 7.553,334 2.339,335 3.653,336 2.955,337 5.364,338 3.381,339 2.4,340 2.819,342 6.883,343 2.219,344 3.526,345 2.698,346 5.113,347 3.147,348 2.142,349 2.686,351 5.958,352 2.063,353 3.365,354 2.536,355 4.883,356 2.982,357 2.021,358 2.583,360 5.639,361 1.917,362 2.844,363 2.117,364 4.655,365 2.446,366 1.445,367 1.94,369 4.199,370 1.439,371 2.666,372 1.998,373 4.497,374 2.237,375 1.362,376 1.635,378 4,379 1.153,380 2.601,381 1.642,382 4,383 2.131,384 1.247,385 1.607,387 3.27,388 1.089,389 2.5,390 1.31,391 3.922,392 2,393 1.145,394 1.5,395 2.739,396 1,397 2.39,398 1,399 3.414,400 1.956,401 1,402 1.277,403 2.275,404 0.811,405 2.119,406 0.985,407 3.346,408 1.586,409 0.592,410 0.832,411 1.485,412 0.584,413 1.363,414 0.724,415 3.182,416 1.139,417 0.175,418 0.197,419 0.445,420 0.166,421 17.014,422 0.5,423 1.276,424 0.038,425 40.25,426 1.184,427 19,428 0.559,429 21.25,430 0.625,431 36.889,432 1.085,433 36.986,434 0.672,435 33.581,436 0.988,437 7.316,438 0.215,439 8.666,440 0.255,441 0.209,442 0.078,443 0.288,445 1,447 0.5,448 1.08,449 0.629,450 0.981,451 0.558,452 0.839,453 0.488,454 0.961,455 0.554,456 0.78,457 0.487,458 0.84,459 0.859,460 1.164,461 0.759,462 1.058,463 0.882,464 1.089,465 0.782,466 0.88,467 0.578,468 0.779,469 0.743,470 0.933,471 0.629,472 0.837,473 0.602,474 0.896,475 0.719,476 1.004,477 0.865,478 0.664,479 0.646,480 0.682,481 0.987,482 0.855,483 0.721,484 1.036,485 0.698,486 1.004,487 0.798,488 1.046,489 0.981,490 0.88,491 0.856,492 0.844,493 1.071,494 0.993,495 10.5,496 0.258,497 5.556,498 3.861,499 2.682,500 1.254,501 0.998,502 0.648,503 0.602,504 0.43,505 16405,506 63775,507 1.994,508 38.2,509 9,510 9,513 1,514 2,517 1.761,518 1.805,519 3.624,520 -0.275,525 107.694,526 1.958,527 4.12,528 5.011,529 5.331,530 5.331,531 5.331,532 3.079,533 4.676,534 5.059,535 3.825,536 2145.9,537 8.878,538 32779.1,542 317.975,543 1.778,544 4.972,545 0.284,546 0.007,547 0.099,548 0.069,549 0.052,550 0.025,551 0.022,552 0.014,553 0.015,554 0.01,555 0.597,556 0.17,557 0.88,558 0.641,559 182.278,560 0.031,561 -0.061,562 0.083,563 -0.028,564 -0.058,565 0.033,566 0.185,567 0.02,568 0.187,569 0.133,570 0.165,571 0.064,572 -0.035,573 -0.192,574 0.083,575 -0.12,576 -0.06,577 -0.141,578 0.023,579 0.014,580 0.118,581 0.061,582 0.079,583 0.04,584 0.156,585 -0.054,586 0.133,587 -0.072,588 0.097,589 -0.023,590 -0.018,591 0.176,592 0.08,593 0.163,594 -0.09,595 0.159,596 0.055,597 -0.175,598 0.058,599 -0.113,600 0.016,601 -0.065,602 0.017,603 0.069,604 -0.011,605 0.102,606 -0.011,607 -0.007,608 5.037,609 5.889,610 0.588,611 36.021,612 1.028,613 1.118,614 3.859,615 14.893,616 0.73,617 3.638,618 4.043,619 4.29,620 4.575,621 4.771,622 4.779,623 4.852,624 4.99,625 5.063,626 5.094,627 7.609,628 0.693,629 543.5,630 3.638,631 5.231,632 6.094,633 7.013,634 7.9,635 8.821,636 9.72,637 10.643,638 11.548,639 12.473,640 3.6,644 2,651 5,655 1,656 5,658 11,669 3,670 55,671 17,672 1,673 37,675 58,676 23,677 10,678 2,679 4,680 5,681 4,682 5,683 2,685 1,686 1,687 1,688 4,691 4,693 16,694 7,696 6,697 1,698 4,699 2,701 4,705 1,707 21,708 7,709 1,710 11,711 4,714 2,717 0.75,718 4,730 2,731 2,734 1,738 1,741 3,742 1,748 3,750 2,752 1,753 2,754 1,756 34,758 1,760 5,761 1,765 1,766 1,769 1,772 3,773 7.3,776 4,779 18.833,780 10.212,781 7.153,782 3.238,785 2.559,786 1.322,787 0.983,788 7.26,789 10.511,790 3.902,791 4.53,792 4.991,793 5.48,794 5.878,795 5.984,796 6.094,797 6.437,798 6.701,799 6.896,800 0.889,801 56,802 13.056,803 6.197,804 8.183,805 23.58,806 20.288,807 2.683,808 91.222,812 235.422,813 157.32,814 19.529,815 78.297,816 94.603,817 14.96,818 37.085,819 120.235,820 408.322,821 34.489,822 8.825,823 31.773,824 72.141,825 106.769,826 20.666,827 54.109,828 266.7,829 39.149,830 235.422,831 139.764,832 109.563,833 115.382,835 250.382,836 94.603,839 42.272,840 75.783,841 66.665,842 70.426,843 250.382,844 114.132,845 235.617,847 5.807,848 235.422,849 76.354,850 78.283,851 16.405,852 187.86,853 235.422,854 129.092,855 235.617,857 0.607,858 0.349,859 0.182,860 0.103,861 28,862 14,863 0.103,864 6,865 1,866 1.1,867 4.299,868 323.311,869 0.1,870 20,871 166.974,872 1,873 1,874 25.368,875 9.73,876 5.432,878 129.092,879 7.16,883 0.753,884 0.483,886 16.405,887 600.132,888 48.5,889 -4.12,890 50.221,891 2.726,893 0.775,895 56.545,896 61.469,897 0.339,898 0.713,899 0.867,900 0.922,901 0.922,902 0.922,903 5.203,904 2.021,905 6.168,906 5.958,907 4.727,908 5.218,909 2.37,910 7.088,911 4.604,912 6.471,913 1.445,914 7.81,915 5.639,916 4.691,917 5.387,918 1.668,919 8.468,920 4.495,921 7.846,922 1.362,923 9.568,924 4.199,925 6.5,926 7.496,927 3.104,928 11.536,929 6.281,930 9.257,931 1.247,932 11.396,933 4,934 7.231,935 8.433,936 3.145,937 13.74,938 6.947,939 10.702,940 1.145,941 13.273,942 3.27,943 8.63,944 10.127,945 4.184,946 16.468,947 8.325,948 12.171,949 1,950 15.184,951 2.739,952 9.674,953 11.388,954 4.56,955 18.956,956 9.323,957 13.659,958 0.592,959 17.121,960 2.275,961 10.956,962 12.953,963 5.413,964 21.604,965 10.584,966 3.604,967 0.175,968 19.078,969 1.485,970 12.128,971 14.358,972 5.938,973 24.187,974 11.725,975 3.413,976 14.225,977 21.05,978 0.445,979 13.383,980 15.887,981 6.7,982 26.82,983 12.962,984 2.716,985 12.555,986 23.034,987 4.729,988 14.606,989 17.359,990 7.295,991 29.435,992 14.165,993 2.682,994 8.872,995 25.027,996 4.042,997 15.859,998 18.883,999 8.011,1000 32.068,1001 15.403,1002 2.457,1003 8.222,1004 27.027,1005 3.74,1006 17.105,1007 20.388,1008 8.64,1009 34.697,1010 16.635,1011 2.4,1012 7.553,1013 29.033,1014 3.613,1015 18.362,1016 21.916,1017 9.332,1018 37.333,1019 17.88,1020 2.142,1021 6.883,1022 31.043,1023 3.038,1024 19.618,1025 23.44,1026 9.979,1027 39.969,1028 19.125,1029 15805,1030 31579,1031 23.463,1032 40.153,1033 57.846,1034 60.357,1035 59.545,1036 57.051,1037 56.803,1038 72.477,1039 8.222,1040 176.636,1041 52.883,1042 5.837,1043 6.694,1044 7.17,1045 5.761,1046 5.604,1047 7.729,1048 3.356,1049 22.255,1050 5.553,1051 22.082,1052 1.563,1053 1.631,1054 1.609,1055 1.542,1056 1.535,1057 1.959,1058 0.222,1059 4.774,1060 1.429,1061 4.086,1062 4.097,1063 4.797,1064 4.119,1065 8.201,1066 3.998,1067 4.022,1068 3.995,1069 4.226,1070 3.952,1071 7.718,1072 3.938,1073 3.886,1074 3.915,1075 3.988,1076 3.819,1077 7.43,1078 3.815,1079 3.653,1080 3.661,1081 3.826,1082 3.59,1083 7.426,1084 3.533,1085 3.508,1086 3.534,1087 3.516,1088 3.415,1089 6.999,1090 3.37,1091 3.421,1092 3.437,1093 3.451,1094 3.261,1095 5.01,1096 3.256,1097 3.233,1098 3.295,1099 3.331,1100 3.061,1101 4.657,1102 3.056,1103 3.042,1104 3.105,1105 3.159,1106 2.847,1107 4.522,1108 2.852,1109 0.132,1110 0.127,1111 0.208,1112 0.124,1113 0.097,1114 4.872,1115 0.128,1116 4.694,1117 0.053,1118 7.694,1119 0.384,1120 4.589,1121 0.096,1122 3.604,1123 4.729,1124 1.946,1125 14.225,1126 3.553,1127 1.939,1128 1.908,1129 2.085,1130 2.042,1131 1.455,1132 2.057,1133 1.889,1134 1.862,1135 2.01,1136 1.986,1137 1.157,1138 1.997,1139 1.753,1140 1.803,1141 1.761,1142 1.866,1143 0.989,1144 1.912,1145 1.562,1146 1.532,1147 1.636,1148 1.73,1149 0.948,1150 1.73,1151 1.416,1152 1.41,1153 1.543,1154 1.578,1155 0.776,1156 1.585,1157 1.366,1158 1.361,1159 1.495,1160 1.501,1161 0.68,1162 1.534,1163 1.286,1164 1.211,1165 1.354,1166 1.399,1167 0.549,1168 1.44,1169 1.016,1170 0.99,1171 1.256,1172 1.264,1173 0.509,1174 1.293,1175 4.317,1177 5.7,1178 3.045,1179 7.258,1180 5.533,1181 8.899,1182 7.727,1183 10.589,1185 2.021,1186 11.65,1187 13.299,1190 2.948,1191 1.988,1195 1.691,1196 -0.373,1199 38.109,1200 107.694,1201 226.608,1202 275.61,1203 293.22,1204 293.22,1205 293.22,1206 109.477,1207 7.951,1208 83.55,1209 120.17,1210 22,1211 12.982,1212 4.17,1213 3.644,1214 56.907,1215 153,1216 161,1217 0.177,1218 245.174,1219 442.13,1220 589.983,1221 34035,1222 5.5,1223 24.673,1224 0.726,1225 0.625,1226 25.406,1227 21.252,1228 15.982,1229 0.432,1230 0.365,1231 10.605,1232 13.885,1233 10.073,1234 8.262,1235 17.395,1236 13.521,1237 16.037,1238 0.286,1239 0.224,1240 18.297,1241 12.532,1242 12.651,1243 0.176,1244 0.134,1245 15.41,1246 9.661,1247 10.443,1248 0.109,1249 0.076,1250 12.947,1251 7.298,1252 8.385,1253 0.072,1254 0.047,1255 10.916,1256 5.444,1257 0.28,1258 118.474,1259 0.206,1260 31.42,1261 0.481,1262 186,1263 661.159,1264 308.677,1265 709.427,1266 913.95,1267 648,1268 221,1269 558.699,1270 337.94,1271 631.557,1272 927.45,1273 589,1274 4.562}
{0 CHEMBL479664,1 1.854,2 13.833,3 4.357,4 18.984,5 126.193,6 9.01,7 0.308,8 4.177,9 4.263,10 3.997,11 3.763,12 5.401,13 3.751,14 4.746,15 4.877,16 4.365,17 4.176,18 6.172,19 4.16,20 5.073,21 5.234,22 4.502,23 4.343,24 6.555,25 4.308,26 5.178,27 5.385,28 4.398,29 4.319,30 6.528,31 4.267,32 5.102,33 5.3,34 4.318,35 4.256,36 6.505,37 4.202,38 5.085,39 5.3,40 4.272,41 4.218,42 6.488,43 4.16,44 4.968,45 5.148,46 4.324,47 4.178,48 6.405,49 4.136,50 5.028,51 5.224,52 4.309,53 4.134,54 6.547,55 4.073,56 0.261,57 1.123,58 10.384,59 6.082,60 54.505,61 5.983,62 0.723,63 1.836,64 19.381,65 10.427,66 115.007,67 11.088,68 1.39,69 2.577,70 32.766,71 14.481,72 252.428,73 14.809,74 1.549,75 2.255,76 42.65,77 15.163,78 281.205,79 16.947,80 1.518,81 2.021,82 37.487,83 14.151,84 272.742,85 16.232,86 1.624,87 1.938,88 38.368,89 13.973,90 289.717,91 16.591,92 1.166,93 1.923,94 31.734,95 12.883,96 227.877,97 14.332,98 1.656,99 2.021,100 37.871,101 13.467,102 304.795,103 13.976,104 82,105 59,106 0.3,107 0.63,108 0.779,109 0.866,110 0.894,111 0.9,112 3.616,113 0.966,114 -5.32,115 -5.21,116 -4.87,118 43.1,119 1,120 4,122 1,124 1,129 2,130 1,132 1,133 6,134 1,135 5,145 2,154 12,157 2,158 6,160 3,162 1,164 12,167 12,170 3,171 11,174 2,175 12,179 2,180 10,184 10,189 1,192 15,195 1,196 7,198 1,200 2,202 16,206 5,210 3,211 11,214 3,215 5,217 1,219 1,222 5,226 10,230 2,233 5,236 2544,237 23.065,238 23.065,239 23.065,240 23.065,241 23.065,242 20.508,243 25.867,244 12.942,245 23.48,246 19.159,247 19.159,248 19.159,249 19.159,250 19.159,251 15.111,252 30.113,253 6.087,254 19.95,255 4.004,256 1.959,257 1.039,258 0.496,259 0.323,260 0.289,261 4.299,266 1,267 1060,268 4.583,270 85.846,271 355.13,274 162.937,277 1.954,278 87.09,280 0.75,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.78,288 83,289 498,290 4.861,291 4.69,292 7.694,293 4.59,294 3.604,295 4.713,296 1.946,297 14.225,298 3.553,299 4.749,300 4.026,301 7.311,302 4.318,303 3.398,304 4.044,305 0.98,306 12.521,307 3.098,308 4.216,309 3.427,310 6.164,311 3.794,312 2.84,313 3.864,314 0.827,315 8.913,316 2.706,317 4.107,318 3.349,319 5.941,320 3.644,321 2.71,322 3.717,323 0.359,324 8.248,325 2.525,326 3.798,327 3.295,328 5.898,329 3.494,330 2.533,331 3.047,333 8.064,334 2.436,335 3.694,336 3.249,337 5.688,338 3.428,339 2.428,340 2.884,342 7.455,343 2.395,344 3.533,345 2.722,346 5.166,347 3.169,348 2.159,349 2.718,351 6.222,352 2.16,353 3.425,354 2.54,355 5.15,356 3.066,357 2.086,358 2.609,360 6.055,361 2.018,362 3.082,363 2.117,364 4.684,365 2.551,366 1.57,367 2.294,369 4.626,370 1.527,371 2.82,372 2.113,373 4.556,374 2.445,375 1.442,376 1.949,378 4.07,379 1.439,380 2.819,381 1.977,382 4.045,383 2.353,384 1.414,385 1.947,387 3.524,388 1.311,389 2.668,390 1.74,391 4.04,392 2.352,393 1.414,394 1.608,395 3.513,396 1.31,397 2.39,398 1.307,399 3.922,400 2.14,401 1.149,402 1.278,403 2.742,404 1.133,405 2.12,406 0.988,407 3.369,408 1.591,409 0.599,410 0.837,411 1.504,412 0.59,413 1.481,414 0.825,415 3.217,416 1.195,417 0.264,418 0.306,419 0.631,420 0.239,421 16.61,422 0.461,423 1.365,424 0.038,425 43.5,426 1.208,427 21,428 0.583,429 22.5,430 0.625,431 35.652,432 0.99,433 40.39,434 0.696,435 41.372,436 1.149,437 8.504,438 0.236,439 8.388,440 0.233,441 0.179,442 0.08,443 0.325,445 4,447 0.503,448 0.973,449 0.698,450 1.164,451 0.549,452 0.927,453 0.529,454 0.938,455 0.714,456 0.997,457 0.523,458 0.942,459 0.789,460 0.976,461 0.988,462 1.156,463 0.761,464 1.151,465 0.798,466 0.787,467 0.95,468 0.947,469 0.744,470 1.005,471 0.693,472 0.697,473 0.865,474 0.956,475 0.738,476 1.068,477 0.692,478 0.584,479 0.747,480 0.73,481 0.778,482 0.876,483 0.689,484 0.915,485 0.886,486 1.109,487 0.717,488 1.078,489 0.922,490 0.869,491 1.105,492 0.954,493 0.952,494 1.01,495 11,496 0.304,497 6.222,498 4.139,499 2.711,500 1.556,501 0.994,502 0.876,503 0.674,504 0.432,505 19066,506 75522,507 1.978,508 37.9,509 9,510 10,513 1,514 2,517 1.775,518 1.785,519 3.706,520 -0.3,525 107.559,526 1.854,527 3.899,528 4.819,529 5.362,530 5.535,531 5.569,532 3.184,533 5.059,534 5.142,535 3.895,536 2454.08,537 9.043,538 39173.9,542 339.763,543 1.784,544 5.051,545 0.282,546 0.008,547 0.105,548 0.067,549 0.048,550 0.03,551 0.019,552 0.017,553 0.015,554 0.01,555 0.602,556 0.17,557 0.88,558 0.644,559 196.708,560 0.017,561 -0.046,562 0.139,563 -0.041,564 -0.038,565 0.031,566 0.106,567 -0.062,568 0.085,569 -0.006,570 0.106,571 0.017,572 0.022,573 -0.045,574 -0.068,575 -0.15,576 0.048,577 -0.172,578 -0.039,579 -0.032,580 -0.001,581 -0.02,582 0.016,583 0.004,584 0.056,585 0.026,586 0.015,587 -0.053,588 0.033,589 -0.056,590 0.083,591 0.112,592 0.146,593 0.154,594 0.024,595 0.158,596 0.058,597 -0.135,598 0.058,599 -0.128,600 0.047,601 -0.062,602 0.008,603 -0.03,604 -0.013,605 0.054,606 0.001,607 -0.011,608 5.37,609 5.866,610 0.583,611 39.593,612 1.039,613 1.14,614 4.091,615 16.736,616 0.679,617 3.689,618 4.094,619 4.344,620 4.605,621 4.82,622 4.86,623 4.956,624 5.056,625 5.159,626 5.17,627 7.962,628 0.671,629 522.56,630 3.689,631 5.283,632 6.146,633 7.062,634 7.947,635 8.865,636 9.76,637 10.681,638 11.582,639 12.505,640 3.4,644 2,651 6,656 6,658 12,669 4,670 58,671 18,672 2,673 39,675 61,676 25,677 12,678 6,679 6,680 5,681 4,682 5,685 1,686 1,687 1,688 4,691 4,693 18,694 7,696 6,697 1,698 4,699 2,701 4,705 4,707 22,708 10,709 1,710 11,711 1,714 2,717 0.75,718 4,730 1,731 3,734 1,738 1,741 3,742 1,748 3,750 1,752 1,754 4,756 36,758 1,760 5,761 1,765 1,766 1,772 4,773 6.9,776 4,779 20.167,780 10.771,781 7.597,782 3.419,785 2.821,786 1.348,787 0.983,788 7.031,789 10.929,790 3.951,791 4.585,792 5.053,793 5.528,794 6.001,795 6.142,796 6.348,797 6.504,798 6.83,799 6.987,800 1,801 62,802 14.108,803 7.008,804 8.523,805 24.397,806 20.897,807 3.023,808 108.833,812 247.193,813 159.258,814 19.529,816 94.603,817 59.84,818 5.807,819 153.451,820 341.796,821 79.37,822 8.825,823 31.773,824 81.617,825 106.769,826 44.406,827 59.84,828 247.193,830 247.193,831 172.98,832 154.443,833 5.807,835 307.034,836 94.603,839 40.598,840 110.673,841 27.517,843 307.034,844 114.132,845 159.258,847 5.807,848 247.193,849 68.816,850 87.759,851 16.405,852 154.443,853 247.193,854 173.973,855 159.258,857 0.608,858 0.354,859 0.178,860 0.099,861 29,862 15,863 0.098,864 6,865 1,866 1.095,867 4.416,868 349.36,869 0.095,870 21,871 182.117,873 1,874 25.973,875 9.745,876 5.37,878 173.973,879 5.322,884 -4.855,886 16.405,887 580.424,888 51,889 -4.453,890 49.972,891 2.406,893 0.07,895 60.243,896 66.095,897 0.317,898 0.666,899 0.823,900 0.915,901 0.945,902 0.951,903 5.252,904 2.086,905 6.221,906 6.222,907 4.779,908 5.273,909 2.37,910 7.138,911 4.7,912 6.523,913 1.57,914 7.864,915 6.055,916 4.745,917 5.447,918 1.668,919 8.505,920 4.598,921 7.898,922 1.442,923 9.622,924 4.626,925 6.55,926 7.556,927 3.104,928 11.57,929 6.389,930 9.309,931 1.414,932 11.448,933 4.07,934 7.273,935 8.478,936 3.145,937 13.756,938 7.044,939 10.752,940 1.414,941 13.321,942 3.524,943 8.67,944 10.18,945 4.184,946 16.48,947 8.426,948 12.218,949 1.149,950 15.227,951 3.513,952 9.706,953 11.422,954 4.56,955 18.96,956 9.409,957 13.702,958 0.599,959 17.159,960 2.742,961 10.984,962 12.994,963 5.413,964 21.605,965 10.669,966 3.604,967 0.264,968 19.11,969 1.504,970 12.148,971 14.381,972 5.938,973 24.185,974 11.798,975 3.398,976 14.225,977 21.076,978 0.631,979 13.398,980 15.912,981 6.7,982 26.816,983 13.03,984 2.84,985 12.521,986 23.055,987 4.713,988 14.615,989 17.369,990 7.295,991 29.431,992 14.224,993 2.71,994 8.913,995 25.043,996 4.044,997 15.864,998 18.89,999 8.011,1000 32.063,1001 15.457,1002 2.533,1003 8.248,1004 27.039,1005 3.864,1006 17.105,1007 20.383,1008 8.64,1009 34.692,1010 16.682,1011 2.428,1012 8.064,1013 29.042,1014 3.717,1015 18.358,1016 21.906,1017 9.332,1018 37.328,1019 17.922,1020 2.159,1021 7.455,1022 31.05,1023 3.047,1024 19.611,1025 23.42,1026 9.979,1027 39.964,1028 19.163,1029 18431,1030 36969,1031 24.561,1032 39.364,1033 60.424,1034 63.91,1035 62.922,1036 59.411,1037 59.424,1038 75.872,1039 8.222,1040 185.068,1041 57.047,1042 5.826,1043 6.69,1044 7.17,1045 5.644,1046 5.604,1047 7.713,1048 3.356,1049 22.255,1050 5.553,1051 24.386,1052 1.549,1053 1.639,1054 1.613,1055 1.523,1056 1.524,1057 1.945,1058 0.211,1059 4.745,1060 1.463,1061 4.097,1062 4.105,1063 4.737,1064 4.063,1065 8.243,1066 3.994,1067 4.028,1068 4.03,1069 3.993,1070 3.948,1071 8.236,1072 3.934,1073 3.896,1074 3.923,1075 3.852,1076 3.818,1077 8.161,1078 3.82,1079 3.703,1080 3.713,1081 3.766,1082 3.572,1083 8.161,1084 3.551,1085 3.531,1086 3.553,1087 3.512,1088 3.418,1089 7.718,1090 3.391,1091 3.433,1092 3.468,1093 3.333,1094 3.262,1095 7.43,1096 3.261,1097 3.239,1098 3.304,1099 3.118,1100 3.062,1101 7.426,1102 3.061,1103 3.048,1104 3.108,1105 2.948,1106 2.849,1107 6.999,1108 2.858,1109 0.125,1110 0.12,1111 0.197,1112 0.118,1113 0.092,1114 4.861,1115 0.121,1116 4.69,1117 0.05,1118 7.694,1119 0.365,1120 4.59,1121 0.091,1122 3.604,1123 4.713,1124 1.946,1125 14.225,1126 3.553,1127 1.951,1128 1.96,1129 2.084,1130 2.047,1131 1.455,1132 2.066,1133 1.928,1134 1.902,1135 1.987,1136 2.019,1137 1.15,1138 2.04,1139 1.881,1140 1.855,1141 1.932,1142 1.985,1143 1.139,1144 1.989,1145 1.603,1146 1.579,1147 1.757,1148 1.78,1149 0.984,1150 1.774,1151 1.479,1152 1.468,1153 1.631,1154 1.7,1155 0.785,1156 1.685,1157 1.321,1158 1.318,1159 1.532,1160 1.51,1161 0.68,1162 1.532,1163 1.283,1164 1.209,1165 1.349,1166 1.477,1167 0.542,1168 1.51,1169 1.012,1170 0.947,1171 1.264,1172 1.265,1173 0.503,1174 1.29,1175 4.369,1177 5.753,1178 2.398,1179 7.318,1180 4.949,1181 8.969,1182 7.222,1183 10.668,1185 1.909,1187 53.573,1190 2.151,1191 1.776,1195 1.488,1196 -0.526,1199 38.944,1200 107.559,1201 226.147,1202 279.498,1203 311.008,1204 321.008,1205 323.008,1206 146.912,1207 8.108,1208 83.55,1209 91.93,1210 23,1211 13.016,1212 4.248,1213 3.7,1214 62.168,1215 170,1216 178,1217 0.174,1218 237.229,1219 443.37,1220 570.598,1221 41989,1222 6.9,1223 26.25,1224 0.729,1225 0.555,1226 23.019,1227 19.971,1228 16.893,1229 0.433,1230 0.322,1231 11.006,1232 15.293,1233 10.667,1234 8.741,1235 16.105,1236 12.557,1237 16.887,1238 0.286,1239 0.182,1240 15.928,1241 10.755,1242 13.536,1243 0.178,1244 0.101,1245 12.695,1246 7.704,1247 10.912,1248 0.11,1249 0.057,1250 11.165,1251 5.671,1252 8.693,1253 0.071,1254 0.032,1255 8.512,1256 3.915,1257 0.276,1258 116.103,1259 0.202,1260 32.941,1261 0.471,1262 196,1263 874.225,1264 261.408,1265 751.943,1266 960.6,1267 686,1268 233,1269 634.231,1270 306.415,1271 652.016,1272 954.75,1273 609,1274 4.785}
{0 CHEMBL481813,1 1.793,2 13.784,3 5.353,4 28.659,5 149.599,6 9.436,7 0.39,8 4.218,9 4.296,10 4.119,11 3.919,12 5.299,13 3.851,14 4.785,15 4.905,16 4.584,17 4.372,18 6.049,19 4.279,20 5.081,21 5.232,22 4.707,23 4.515,24 6.23,25 4.407,26 5.191,27 5.396,28 4.511,29 4.464,30 6.392,31 4.353,32 5.142,33 5.337,34 4.492,35 4.393,36 6.401,37 4.295,38 5.107,39 5.33,40 4.272,41 4.338,42 6.194,43 4.222,44 5.003,45 5.187,46 4.421,47 4.327,48 6.209,49 4.234,50 5.065,51 5.253,52 4.377,53 4.36,54 6.297,55 4.234,56 0.118,57 0.82,58 10.446,59 5.922,60 21.105,61 6.461,62 0.468,63 1.411,64 26.589,65 11.296,66 63.448,67 12.443,68 0.562,69 1.846,70 42.276,71 15.517,72 80.297,73 16.868,74 0.82,75 2.073,76 48.025,77 16.992,78 138.656,79 19.621,80 0.913,81 1.878,82 41.357,83 16,84 132.049,85 18.638,86 0.761,87 1.844,88 43.317,89 16.168,90 118.497,91 19.113,92 0.603,93 1.707,94 35.669,95 14.183,96 93.66,97 16.143,98 0.942,99 1.809,100 39.662,101 15.146,102 147.984,103 16.192,104 50,105 62,106 0.284,107 0.631,108 0.786,109 0.869,110 0.882,111 0.892,112 3.642,113 1.085,114 -5.38,115 -5.26,116 -4.91,118 44.3,119 1,120 4,122 1,124 1,129 2,130 1,132 1,133 8,134 3,135 1,143 2,145 2,154 19,157 2,158 6,160 3,162 1,164 26,167 12,170 3,171 24,174 2,175 11,179 1,180 16,184 16,189 3,192 17,195 1,196 9,198 1,200 2,202 18,206 10,210 3,211 22,214 3,215 7,217 1,219 1,222 22,226 11,230 2,233 21,236 2800,237 24.22,238 24.22,239 24.22,240 24.22,241 24.22,242 21.354,243 23.628,244 13.739,245 24.886,246 20.213,247 20.213,248 20.213,249 20.213,250 20.213,251 15.637,252 28.618,253 6.504,254 21.488,255 4.138,256 1.956,257 0.976,258 0.451,259 0.373,260 0.307,261 4.34,262 1,263 1,266 1,267 1113,268 4.583,270 195.606,271 304.059,274 160.168,275 165.479,277 2.222,278 53.379,280 0.75,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.78,288 79.667,289 510,290 4.872,291 4.694,292 7.694,293 4.59,294 3.604,295 4.729,296 1.946,297 14.225,298 3.553,299 4.75,300 4.026,301 7.318,302 4.306,303 3.413,304 4.337,305 0.98,306 12.555,307 3.044,308 4.405,309 3.431,310 6.205,311 3.926,312 2.928,313 4.039,314 0.827,315 9.271,316 2.924,317 4.123,318 3.347,319 6.133,320 3.557,321 2.716,322 3.74,323 0.359,324 8.804,325 2.486,326 3.799,327 3.267,328 5.933,329 3.53,330 2.559,331 3.098,333 8.222,334 2.438,335 3.744,336 2.978,337 5.692,338 3.422,339 2.427,340 3.014,342 7.498,343 2.219,344 3.534,345 2.663,346 5.21,347 3.15,348 2.148,349 2.742,351 6.432,352 2.149,353 3.498,354 2.496,355 5.113,356 3.146,357 2.14,358 2.628,360 5.957,361 2.063,362 3.118,363 2.117,364 4.659,365 2.618,366 1.618,367 2.427,369 4.375,370 1.618,371 2.901,372 1.98,373 4.499,374 2.464,375 1.46,376 2.089,378 4.198,379 1.459,380 2.844,381 1.642,382 4.413,383 2.397,384 1.397,385 1.94,387 4.002,388 1.395,389 2.664,390 1.618,391 4,392 2.237,393 1.361,394 1.635,395 3.27,396 1.152,397 2.601,398 1.426,399 3.926,400 2.129,401 1.247,402 1.607,403 3.019,404 1.089,405 2.39,406 1.293,407 3.618,408 1.956,409 1.141,410 1.28,411 2.727,412 0.811,413 2.219,414 0.97,415 3.355,416 1.714,417 0.715,418 1.049,419 1.681,420 0.713,421 18.729,422 0.506,423 1.29,424 0.035,425 46,426 1.243,427 23,428 0.622,429 23,430 0.622,431 39.877,432 1.078,433 38.871,434 0.637,435 38.099,436 1.03,437 8.318,438 0.225,439 9.236,440 0.25,441 0.174,442 0.071,443 0.288,447 0.484,448 1.126,449 0.634,450 0.952,451 0.565,452 0.822,453 0.455,454 0.98,455 0.569,456 0.773,457 0.477,458 0.837,459 0.805,460 1.223,461 0.745,462 1.054,463 0.86,464 1.07,465 0.786,466 1.005,467 0.583,468 0.821,469 0.754,470 0.955,471 0.72,472 1.032,473 0.626,474 0.936,475 0.841,476 1.027,477 0.944,478 0.811,479 0.639,480 0.711,481 1.066,482 0.846,483 0.793,484 1.084,485 0.683,486 0.945,487 0.859,488 0.951,489 1.14,490 0.812,491 0.854,492 0.809,493 1.257,494 0.938,495 10.5,496 0.295,497 5.778,498 4.049,499 2.855,500 1.226,501 1.043,502 0.787,503 0.663,504 0.456,505 21737,506 71945,507 2.054,508 39.3,509 9,510 12,513 1,514 2,517 1.782,518 1.881,519 3.711,520 -0.338,525 109.354,526 1.793,527 3.975,528 4.955,529 5.48,530 5.558,531 5.623,532 3.226,533 4.757,534 5.181,535 3.922,536 2611.98,537 9.122,538 42470.7,542 361.775,543 1.718,544 5.11,545 0.256,546 0.007,547 0.093,548 0.064,549 0.049,550 0.023,551 0.021,552 0.015,553 0.013,554 0.009,555 0.55,556 0.17,557 0.75,558 0.595,559 203.806,560 0.053,561 -0.052,562 0.091,563 -0.02,564 -0.076,565 0.041,566 0.245,567 0.072,568 0.175,569 0.131,570 0.189,571 0.056,572 0.018,573 -0.219,574 0.092,575 -0.121,576 -0.043,577 -0.128,578 0.067,579 0.003,580 0.107,581 0.036,582 0.121,583 0.011,584 0.198,585 -0.081,586 0.112,587 -0.088,588 0.123,589 -0.054,590 -0.03,591 0.138,592 0.091,593 0.157,594 -0.084,595 0.161,596 0.077,597 -0.089,598 0.078,599 -0.045,600 0.048,601 0.014,602 -0.06,603 0.21,604 -0.04,605 0.131,606 -0.076,607 0.019,608 5.02,609 6.16,610 0.649,611 42.659,612 1.015,613 1.107,614 4.147,615 17.195,616 0.737,617 3.738,618 4.143,619 4.419,620 4.718,621 4.927,622 4.956,623 5.063,624 5.231,625 5.366,626 5.434,627 8.099,628 0.693,629 575.57,630 3.738,631 5.333,632 6.205,633 7.125,634 8.017,635 8.939,636 9.84,637 10.763,638 11.669,639 12.593,640 3.3,644 2,650 2,651 8,655 1,656 4,658 16,669 2,670 61,671 22,672 2,673 41,675 65,676 27,677 14,678 3,679 7,680 5,681 5,682 7,683 2,685 1,686 1,687 1,688 4,691 4,693 20,694 7,696 6,697 1,698 4,699 2,701 4,707 24,708 6,709 1,710 10,711 4,714 2,717 0.6,718 4,730 2,731 3,734 1,735 1,738 1,741 3,742 1,748 3,750 2,752 1,753 2,756 37,758 1,760 5,761 1,765 1,766 1,769 1,772 2,773 6.6,776 4,779 19.667,780 11.319,781 7.764,782 3.653,785 3.784,786 1.442,787 1.005,788 7.27,789 12.347,790 4.025,791 4.68,792 5.21,793 5.761,794 6.236,795 6.449,796 6.721,797 7.119,798 7.495,799 7.565,800 1,801 63,802 14.144,803 6.657,804 7.956,805 26.122,806 22.709,807 2.456,808 90.889,812 270.735,813 181.774,814 19.529,815 78.297,816 94.603,818 37.085,819 144.689,820 443.635,821 19.529,822 8.825,823 31.773,824 100.57,825 106.769,826 16.691,827 39.149,828 302.013,829 39.149,830 270.735,831 164.218,832 94.603,833 115.382,835 270.735,836 94.603,839 42.272,840 100.237,841 66.665,842 70.426,843 270.735,844 114.132,845 260.071,847 5.807,848 270.735,849 72.379,850 106.712,851 16.405,852 172.9,853 270.735,854 114.132,855 260.071,857 0.605,858 0.354,859 0.19,860 0.105,861 32,862 15,863 0.092,864 6,865 2,866 1.167,867 4.595,868 371.309,869 0.167,870 24,871 188.75,872 1,873 1,874 26.426,875 10.179,876 5.374,877 2.246,878 114.132,879 15.478,883 0.777,884 1.131,886 16.405,887 644.939,888 55,889 -4.104,890 50.812,891 2.845,893 1.055,895 61.916,896 67.545,897 0.302,898 0.67,899 0.836,900 0.924,901 0.937,902 0.948,903 5.318,904 2.14,905 6.267,906 6.432,907 4.828,908 5.368,909 2.37,910 7.186,911 4.728,912 6.586,913 1.618,914 7.905,915 5.957,916 4.745,917 5.503,918 1.668,919 8.534,920 4.578,921 7.959,922 1.46,923 9.658,924 4.375,925 6.592,926 7.684,927 3.104,928 11.611,929 6.409,930 9.37,931 1.397,932 11.481,933 4.198,934 7.294,935 8.602,936 3.145,937 13.788,938 7.047,939 10.814,940 1.361,941 13.351,942 4.002,943 8.709,944 10.342,945 4.184,946 16.51,947 8.445,948 12.283,949 1.247,950 15.256,951 3.27,952 9.737,953 11.594,954 4.56,955 18.983,956 9.423,957 13.77,958 1.141,959 17.186,960 3.019,961 11.022,962 13.184,963 5.413,964 21.625,965 10.688,966 3.604,967 0.715,968 19.135,969 2.727,970 12.182,971 14.582,972 5.938,973 24.201,974 11.814,975 3.413,976 14.225,977 21.1,978 1.681,979 13.434,980 16.121,981 6.7,982 26.83,983 13.046,984 2.928,985 12.555,986 23.077,987 4.729,988 14.649,989 17.585,990 7.295,991 29.442,992 14.237,993 2.716,994 9.271,995 25.064,996 4.337,997 15.898,998 19.109,999 8.011,1000 32.072,1001 15.468,1002 2.559,1003 8.804,1004 27.059,1005 4.039,1006 17.138,1007 20.605,1008 8.64,1009 34.7,1010 16.69,1011 2.427,1012 8.222,1013 29.059,1014 3.74,1015 18.39,1016 22.128,1017 9.332,1018 37.335,1019 17.928,1020 2.148,1021 7.498,1022 31.065,1023 3.098,1024 19.642,1025 23.641,1026 9.979,1027 39.97,1028 19.166,1029 20390,1030 37666,1031 26.641,1032 44.977,1033 64.141,1034 66.433,1035 65.398,1036 63.265,1037 63.022,1038 82.468,1039 8.222,1040 195.678,1041 59.486,1042 5.837,1043 6.694,1044 7.381,1045 5.761,1046 5.604,1047 7.729,1048 3.356,1049 22.255,1050 5.553,1051 21.731,1052 1.564,1053 1.62,1054 1.595,1055 1.543,1056 1.537,1057 2.011,1058 0.201,1059 4.773,1060 1.451,1061 4.119,1062 4.14,1063 4.798,1064 4.122,1065 7.718,1066 4.059,1067 4.053,1068 4.039,1069 4.226,1070 4.052,1071 7.43,1072 3.979,1073 3.993,1074 3.992,1075 4.055,1076 3.919,1077 7.426,1078 3.913,1079 3.656,1080 3.666,1081 3.938,1082 3.591,1083 6.999,1084 3.537,1085 3.561,1086 3.603,1087 3.527,1088 3.466,1089 5.011,1090 3.452,1091 3.48,1092 3.493,1093 3.452,1094 3.405,1095 4.899,1096 3.36,1097 3.389,1098 3.414,1099 3.432,1100 3.238,1101 4.551,1102 3.23,1103 3.19,1104 3.254,1105 3.288,1106 3.026,1107 4.467,1108 3.018,1109 0.119,1110 0.114,1111 0.188,1112 0.112,1113 0.088,1114 4.872,1115 0.115,1116 4.694,1117 0.047,1118 7.694,1119 0.347,1120 4.59,1121 0.087,1122 3.604,1123 4.729,1124 1.946,1125 14.225,1126 3.553,1127 2.078,1128 2.059,1129 2.165,1130 2.133,1131 1.455,1132 2.145,1133 1.926,1134 1.895,1135 2.081,1136 2.027,1137 1.31,1138 2.048,1139 1.753,1140 1.803,1141 1.784,1142 1.866,1143 1.007,1144 1.912,1145 1.609,1146 1.571,1147 1.715,1148 1.781,1149 0.949,1150 1.778,1151 1.517,1152 1.486,1153 1.635,1154 1.629,1155 0.909,1156 1.659,1157 1.399,1158 1.406,1159 1.502,1160 1.551,1161 0.746,1162 1.571,1163 1.355,1164 1.331,1165 1.481,1166 1.457,1167 0.586,1168 1.477,1169 1.244,1170 1.175,1171 1.345,1172 1.398,1173 0.548,1174 1.439,1175 4.419,1177 5.802,1178 3.045,1179 7.367,1180 5.533,1181 9.018,1182 7.727,1183 10.717,1185 2.086,1186 11.729,1190 3.294,1191 2.035,1195 1.827,1196 -0.321,1199 42.253,1200 109.354,1201 242.45,1202 302.265,1203 334.265,1204 339.02,1205 343.02,1206 97.844,1207 8.563,1208 83.55,1209 120.17,1210 28,1211 13.102,1212 4.524,1213 3.907,1214 56.768,1215 176,1216 175,1217 0.151,1218 269.097,1219 476.72,1220 648.355,1221 75585,1222 3.3,1223 26.372,1224 0.713,1225 0.625,1226 27.975,1227 23.107,1228 17.554,1229 0.428,1230 0.362,1231 11.936,1232 15.576,1233 11.348,1234 9.33,1235 19.361,1236 14.826,1237 17.395,1238 0.281,1239 0.219,1240 20.276,1241 13.587,1242 14.164,1243 0.173,1244 0.129,1245 17.334,1246 10.562,1247 12.063,1248 0.109,1249 0.072,1250 14.709,1251 8.046,1252 9.734,1253 0.071,1254 0.044,1255 12.555,1256 6.002,1257 0.24,1258 127.043,1259 0.194,1260 33.722,1261 0.409,1262 206,1263 617.048,1264 324.846,1265 699.819,1266 921.46,1267 642,1268 247,1269 579.366,1270 361.03,1271 662.214,1272 974.9,1273 619,1274 4.991}
{0 CHEMBL482018,1 1.977,2 13.405,3 5.48,4 30.035,5 135.587,6 9.887,7 0.3,8 4.179,9 4.257,10 4.072,11 3.804,12 5.389,13 3.78,14 4.748,15 4.87,16 4.467,17 4.23,18 6.159,19 4.199,20 5.076,21 5.222,22 4.717,23 4.419,24 6.474,25 4.369,26 5.198,27 5.384,28 4.598,29 4.381,30 6.747,31 4.326,32 5.11,33 5.294,34 4.448,35 4.306,36 6.581,37 4.245,38 5.089,39 5.292,40 4.481,41 4.287,42 6.568,43 4.222,44 4.975,45 5.136,46 4.522,47 4.284,48 6.372,49 4.215,50 5.033,51 5.203,52 4.417,53 4.267,54 6.457,55 4.146,56 0.273,57 1.014,58 8.066,59 5.775,60 51.512,61 5.599,62 0.745,63 1.664,64 16.949,65 10.164,66 110.095,67 10.775,68 1.307,69 2.323,70 34.692,71 14.902,72 224.015,73 14.576,74 1.953,75 2.358,76 47.001,77 16.179,78 337.453,79 17.142,80 1.668,81 2.067,82 40.287,83 14.907,84 287.198,85 16.225,86 1.71,87 1.818,88 39.534,89 14.739,90 295.987,91 16.949,92 1.196,93 1.689,94 33.771,95 13.58,96 201.713,97 14.305,98 1.653,99 1.649,100 47.289,101 14.727,102 266.213,103 14.47,104 101,105 61,106 0.319,107 0.66,108 0.815,109 0.894,110 0.9,111 0.9,112 3.642,113 1.007,114 -5.62,115 -5.49,116 -5.12,118 43.1,119 1,120 4,122 1,124 1,129 2,130 1,132 1,133 5,134 1,135 6,145 2,154 11,157 2,158 6,160 3,162 1,164 13,167 9,170 2,171 16,174 2,175 13,179 2,180 12,184 10,189 1,192 11,195 1,196 8,198 1,200 2,202 14,206 7,210 3,211 18,214 3,215 5,217 1,219 1,222 14,226 8,230 1,233 7,236 2632,237 23.617,238 23.617,239 23.617,240 23.617,241 23.617,242 20.979,243 25.191,244 13.197,245 24.178,246 19.631,247 19.631,248 19.631,249 19.631,250 19.631,251 15.485,252 28.484,253 6.174,254 20.774,255 3.881,256 1.774,257 0.812,258 0.323,259 0.289,260 0.289,261 4.323,262 2,267 1054,268 4.637,270 87.211,271 363.439,274 165.65,277 1.844,278 85.968,280 0.5,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.74,288 84.167,289 496,290 4.897,291 4.719,292 7.694,293 4.59,294 3.605,295 4.756,296 1.946,297 14.226,298 3.553,299 4.75,300 4.027,301 7.405,302 4.364,303 3.446,304 4.057,305 0.98,306 12.904,307 3.133,308 4.316,309 3.436,310 6.37,311 3.874,312 2.957,313 3.961,314 0.827,315 9.563,316 2.689,317 4.166,318 3.425,319 6.109,320 3.695,321 2.756,322 3.802,323 0.359,324 8.627,325 2.578,326 3.798,327 3.34,328 5.982,329 3.467,330 2.501,331 3.046,333 8.383,334 2.433,335 3.654,336 3.274,337 5.679,338 3.412,339 2.422,340 2.829,342 7.41,343 2.349,344 3.553,345 2.697,346 5.461,347 3.191,348 2.205,349 2.764,351 6.587,352 2.166,353 3.436,354 2.669,355 5.012,356 2.954,357 2.005,358 2.642,360 5.597,361 1.858,362 3.265,363 2.509,364 4.94,365 2.848,366 1.919,367 2.489,369 5.575,370 1.702,371 2.907,372 2.108,373 4.627,374 2.444,375 1.477,376 2.057,378 4.186,379 1.43,380 2.867,381 2.102,382 4.395,383 2.421,384 1.441,385 2.029,387 4.054,388 1.38,389 2.668,390 1.787,391 3.954,392 2.359,393 1.414,394 1.61,395 3.184,396 1.284,397 2.39,398 1.355,399 3.855,400 2.139,401 1.156,402 1.28,403 2.752,404 1.125,405 2.131,406 1.335,407 3.512,408 1.598,409 0.63,410 0.858,411 1.582,412 0.592,413 1.643,414 1.139,415 3.308,416 1.244,417 0.412,418 0.479,419 1.011,420 0.33,421 17.752,422 0.48,423 1.438,424 0.039,425 44.25,426 1.196,427 21,428 0.568,429 23.25,430 0.628,431 39.877,432 1.078,433 41.048,434 0.708,435 41.669,436 1.126,437 8.477,438 0.229,439 8.843,440 0.239,441 0.232,442 0.075,443 0.332,445 3,447 0.51,448 0.999,449 0.599,450 1.049,451 0.555,452 0.861,453 0.534,454 0.943,455 0.624,456 0.884,457 0.522,458 0.87,459 0.825,460 1.052,461 0.807,462 1.067,463 0.827,464 1.072,465 0.748,466 0.816,467 0.926,468 0.971,469 0.689,470 1.018,471 0.692,472 0.734,473 0.839,474 0.975,475 0.728,476 1.079,477 0.63,478 0.587,479 0.601,480 0.658,481 0.704,482 0.786,483 0.754,484 0.845,485 0.955,486 1.032,487 0.744,488 1.041,489 0.999,490 0.681,491 1.522,492 1.054,493 0.951,494 1.171,495 11,496 0.346,497 6.667,498 4.826,499 2.822,500 1.698,501 1.175,502 0.843,503 0.589,504 0.442,505 20009,506 82935,507 1.964,508 36.2,509 9,510 9,513 1,514 2,517 1.782,518 1.762,519 3.665,520 -0.284,525 114.673,526 1.977,527 4.084,528 5.046,529 5.535,530 5.569,531 5.569,532 3.048,533 4.939,534 5.184,535 3.873,536 2579.52,537 9.127,538 41730.1,542 339.763,543 1.795,544 5.084,545 0.275,546 0.009,547 0.109,548 0.073,549 0.046,550 0.031,551 0.021,552 0.015,553 0.013,554 0.01,555 0.602,556 0.17,557 0.75,558 0.651,559 203.224,560 0.017,561 -0.053,562 0.08,563 -0.049,564 -0.04,565 0.026,566 0.111,567 -0.045,568 0.074,569 0.034,570 0.117,571 0.045,572 -0.009,573 -0.111,574 0.06,575 -0.098,576 -0.014,577 -0.113,578 0.117,579 0.045,580 -0.013,581 -0.039,582 0.172,583 -0.025,584 0.105,585 0.033,586 -0.008,587 -0.08,588 0.094,589 -0.076,590 0.165,591 0.128,592 0.229,593 0.229,594 0.127,595 0.257,596 0.003,597 -0.086,598 0.026,599 -0.055,600 0.013,601 -0.031,602 -0.115,603 0.048,604 -0.278,605 -0.006,606 -0.078,607 -0.152,608 5.738,609 5.998,610 0.568,611 38.787,612 1.041,613 1.132,614 4.387,615 19.248,616 0.709,617 3.714,618 4.127,619 4.394,620 4.673,621 4.86,622 4.913,623 4.99,624 5.081,625 5.153,626 5.182,627 7.928,628 0.693,629 573.45,630 3.714,631 5.313,632 6.184,633 7.107,634 7.998,635 8.924,636 9.823,637 10.751,638 11.656,639 12.584,640 3.4,644 2,651 5,656 7,658 12,669 5,670 58,671 18,672 2,673 40,675 61,676 25,677 12,678 7,679 5,680 5,681 4,682 5,683 2,685 1,686 1,687 1,688 4,691 4,693 18,694 7,696 6,697 1,698 4,699 2,701 4,705 3,707 21,708 9,709 1,710 12,711 3,714 2,717 0.75,718 4,730 1,731 3,734 1,738 1,741 3,742 1,748 3,750 1,752 1,753 2,754 3,756 37,758 1,760 5,761 1,765 1,766 1,772 5,773 6.9,776 4,779 21,780 10.831,781 7.819,782 3.413,785 2.912,786 1.356,787 0.981,788 7.717,789 11.087,790 3.97,791 4.615,792 5.1,793 5.597,794 6.037,795 6.198,796 6.377,797 6.541,798 6.825,799 7.023,800 0.889,801 66,802 14.711,803 7.523,804 8.438,805 25.097,806 21.491,807 2.938,808 108.722,812 235.422,813 147.662,814 19.529,815 78.297,816 94.603,817 44.88,818 5.807,819 141.855,820 408.322,821 64.41,822 8.825,823 31.773,824 72.141,825 106.769,826 42.286,827 44.88,828 235.422,829 78.297,830 235.422,831 161.384,832 139.483,833 84.105,835 280.302,836 94.603,839 40.598,840 99.077,841 105.814,843 280.302,844 114.132,845 225.96,847 5.807,848 235.422,849 66.696,850 78.283,851 16.405,852 217.78,853 235.422,854 159.012,855 225.96,857 0.609,858 0.36,859 0.188,860 0.099,861 30,862 16,863 0.098,864 6,865 1,866 1.095,867 4.419,868 366.973,869 0.095,870 21,871 190.75,873 1,874 27.564,875 10.359,876 5.546,878 159.012,879 5.351,884 -4.571,886 16.405,887 620.394,888 52,889 -4.821,890 50.197,891 2.348,893 0.114,895 60.378,896 65.644,897 0.338,898 0.697,899 0.861,900 0.945,901 0.951,902 0.951,903 5.278,904 2.005,905 6.263,906 6.587,907 4.812,908 5.303,909 2.37,910 7.197,911 4.704,912 6.555,913 1.919,914 7.918,915 5.597,916 4.796,917 5.503,918 1.668,919 8.571,920 4.605,921 7.936,922 1.477,923 9.684,924 5.575,925 6.594,926 7.602,927 3.104,928 11.655,929 6.393,930 9.352,931 1.441,932 11.519,933 4.186,934 7.334,935 8.549,936 3.145,937 13.836,938 7.053,939 10.801,940 1.414,941 13.397,942 4.054,943 8.728,944 10.246,945 4.184,946 16.57,947 8.435,948 12.272,949 1.156,950 15.308,951 3.184,952 9.774,953 11.508,954 4.56,955 19.044,956 9.424,957 13.762,958 0.63,959 17.242,960 2.752,961 11.053,962 13.08,963 5.413,964 21.693,965 10.685,966 3.605,967 0.412,968 19.195,969 1.582,970 12.223,971 14.482,972 5.938,973 24.268,974 11.817,975 3.446,976 14.226,977 21.162,978 1.011,979 13.474,980 16.016,981 6.7,982 26.9,983 13.05,984 2.957,985 12.904,986 23.141,987 4.756,988 14.694,989 17.485,990 7.295,991 29.512,992 14.245,993 2.756,994 9.563,995 25.13,996 4.057,997 15.944,998 19.011,999 8.011,1000 32.143,1001 15.478,1002 2.501,1003 8.627,1004 27.126,1005 3.961,1006 17.187,1007 20.514,1008 8.64,1009 34.769,1010 16.703,1011 2.422,1012 8.383,1013 29.128,1014 3.802,1015 18.441,1016 22.044,1017 9.332,1018 37.403,1019 17.943,1020 2.205,1021 7.41,1022 31.136,1023 3.046,1024 19.694,1025 23.566,1026 9.979,1027 40.037,1028 19.182,1029 19395,1030 39834,1031 24.967,1032 41.142,1033 62.235,1034 66.345,1035 65.223,1036 61.461,1037 61.327,1038 78.031,1039 8.222,1040 192.815,1041 57.652,1042 5.862,1043 6.719,1044 7.23,1045 5.65,1046 5.605,1047 7.756,1048 3.356,1049 22.259,1050 5.553,1051 25.963,1052 1.556,1053 1.659,1054 1.631,1055 1.537,1056 1.533,1057 1.951,1058 0.206,1059 4.82,1060 1.441,1061 4.101,1062 4.105,1063 4.739,1064 4.063,1065 8.242,1066 3.998,1067 4.03,1068 4.034,1069 4.131,1070 3.954,1071 8.199,1072 3.938,1073 3.888,1074 3.907,1075 3.948,1076 3.847,1077 8.161,1078 3.835,1079 3.707,1080 3.715,1081 3.79,1082 3.572,1083 7.717,1084 3.552,1085 3.531,1086 3.551,1087 3.518,1088 3.419,1089 7.43,1090 3.391,1091 3.431,1092 3.466,1093 3.428,1094 3.265,1095 7.426,1096 3.262,1097 3.231,1098 3.298,1099 3.333,1100 3.072,1101 6.999,1102 3.06,1103 3.032,1104 3.095,1105 3.251,1106 2.863,1107 5.035,1108 2.858,1109 0.122,1110 0.118,1111 0.192,1112 0.115,1113 0.09,1114 4.897,1115 0.119,1116 4.719,1117 0.049,1118 7.694,1119 0.356,1120 4.59,1121 0.089,1122 3.605,1123 4.756,1124 1.946,1125 14.226,1126 3.553,1127 1.947,1128 1.956,1129 2.084,1130 2.045,1131 1.455,1132 2.062,1133 1.926,1134 1.905,1135 1.968,1136 2.017,1137 1.163,1138 2.034,1139 1.885,1140 1.863,1141 1.895,1142 1.959,1143 1.127,1144 1.975,1145 1.603,1146 1.578,1147 1.758,1148 1.779,1149 0.986,1150 1.772,1151 1.48,1152 1.469,1153 1.631,1154 1.695,1155 0.789,1156 1.684,1157 1.322,1158 1.32,1159 1.546,1160 1.507,1161 0.7,1162 1.534,1163 1.287,1164 1.212,1165 1.361,1166 1.477,1167 0.539,1168 1.509,1169 1.021,1170 0.957,1171 1.265,1172 1.258,1173 0.513,1174 1.295,1175 4.394,1177 5.784,1178 2.398,1179 7.358,1180 4.949,1181 9.022,1182 7.222,1183 10.735,1185 1.948,1186 12.451,1187 40.559,1190 2.413,1191 1.625,1195 1.599,1196 -0.489,1199 40.216,1200 114.673,1201 236.886,1202 292.643,1203 321.008,1204 323.008,1205 323.008,1206 147.27,1207 8.175,1208 83.55,1209 91.93,1210 23,1211 13.092,1212 4.248,1213 3.7,1214 64.849,1215 176,1216 174,1217 0.177,1218 252.696,1219 467.72,1220 608.339,1221 45720,1222 8.6,1223 27.121,1224 0.733,1225 0.589,1226 25.76,1227 21.784,1228 17.32,1229 0.433,1230 0.336,1231 11.203,1232 15.299,1233 10.777,1234 8.809,1235 17.503,1236 13.424,1237 17.325,1238 0.284,1239 0.19,1240 17.655,1241 11.593,1242 14.002,1243 0.175,1244 0.108,1245 14.826,1246 8.678,1247 11.694,1248 0.11,1249 0.058,1250 12.205,1251 6.194,1252 8.86,1253 0.069,1254 0.032,1255 9.161,1256 4.126,1257 0.279,1258 124.153,1259 0.2,1260 33.528,1261 0.48,1262 202,1263 848.521,1264 294.616,1265 813.885,1266 1033.21,1267 742,1268 242,1269 646.623,1270 343.407,1271 690.565,1272 1015.72,1273 645,1274 5.131}
{0 CHEMBL482158,1 1.808,2 13.171,3 4.152,4 17.236,5 125.977,6 8.699,7 0.316,8 4.169,9 4.258,10 3.969,11 3.765,12 5.354,13 3.742,14 4.737,15 4.872,16 4.326,17 4.178,18 6.137,19 4.148,20 5.058,21 5.225,22 4.412,23 4.345,24 6.327,25 4.29,26 5.171,27 5.38,28 4.434,29 4.32,30 6.55,31 4.262,32 5.101,33 5.298,34 4.314,35 4.257,36 6.627,37 4.2,38 5.072,39 5.294,40 4.167,41 4.22,42 6.289,43 4.142,44 4.954,45 5.139,46 4.261,47 4.181,48 6.353,49 4.116,50 5.007,51 5.213,52 4.194,53 4.139,54 6.39,55 4.04,56 0.198,57 1.041,58 11.36,59 6.048,60 40.407,61 6.258,62 0.606,63 1.705,64 20.532,65 10.371,66 86.758,67 11.5,68 0.918,69 2.208,70 33.785,71 14.394,72 165.556,73 15.239,74 1.404,75 2.338,76 43.435,77 15.168,78 257.418,79 17.522,80 1.479,81 1.988,82 37.842,83 14.095,84 266.374,85 16.78,86 1.232,87 1.847,88 38.399,89 13.956,90 210.573,91 16.658,92 0.947,93 1.77,94 32.301,95 12.811,96 180.195,97 14.943,98 1.338,99 1.815,100 38.158,101 13.367,102 236.853,103 14.715,104 65,105 57,106 0.292,107 0.624,108 0.774,109 0.847,110 0.855,111 0.855,112 3.588,113 0.983,114 -5.22,115 -5.11,116 -4.78,118 43.1,119 1,120 4,122 1,124 1,129 2,130 1,132 1,133 7,134 1,135 4,145 2,154 12,157 2,158 6,160 3,162 1,164 16,167 12,170 3,171 11,174 2,175 11,179 1,180 10,184 12,189 2,192 15,195 1,196 7,198 1,200 2,202 18,206 6,210 3,211 15,214 3,215 5,217 1,219 1,222 7,226 10,230 2,233 5,236 2328,237 22.513,238 22.513,239 22.513,240 22.513,241 22.513,242 20.036,243 26.343,244 12.824,245 22.906,246 18.74,247 18.74,248 18.74,249 18.74,250 18.74,251 14.761,252 30.376,253 6.102,254 19.435,255 4.05,256 1.996,257 1.068,258 0.612,259 0.565,260 0.565,261 4.273,266 1,267 982,268 4.528,270 82.812,271 343.217,274 157.144,277 2.015,278 76.166,280 0.75,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.78,288 79.5,289 461,290 4.863,291 4.692,292 7.694,293 4.589,294 3.604,295 4.716,296 1.946,297 14.225,298 3.553,299 4.749,300 4.026,301 7.313,302 4.32,303 3.4,304 4.042,305 0.98,306 12.537,307 3.1,308 4.022,309 3.427,310 6.159,311 3.659,312 2.682,313 3.613,314 0.827,315 8.872,316 2.616,317 4.001,318 3.347,319 5.699,320 3.54,321 2.582,322 3.599,323 0.359,324 7.558,325 2.483,326 3.791,327 3.028,328 5.482,329 3.436,330 2.455,331 3.038,333 7.296,334 2.394,335 3.653,336 2.955,337 5.364,338 3.38,339 2.398,340 2.819,342 6.882,343 2.337,344 3.525,345 2.698,346 5.054,347 3.151,348 2.14,349 2.687,351 5.91,352 2.141,353 3.365,354 2.592,355 4.883,356 2.982,357 2.021,358 2.583,360 5.639,361 1.917,362 3.232,363 2.536,364 4.645,365 2.787,366 1.879,367 2.481,369 4.963,370 1.678,371 2.915,372 1.998,373 4.618,374 2.448,375 1.447,376 2.056,378 4.251,379 1.44,380 2.667,381 1.644,382 4.467,383 2.389,384 1.408,385 1.607,387 4.03,388 1.37,389 2.5,390 1.31,391 3.922,392 2.138,393 1.147,394 1.5,395 2.739,396 1.131,397 2.39,398 1,399 3.414,400 2,401 1,402 1.277,403 2.275,404 1,405 2.119,406 0.985,407 3.353,408 1.588,409 0.593,410 0.833,411 1.487,412 0.586,413 1.363,414 0.724,415 3.191,416 1.139,417 0.175,418 0.197,419 0.445,420 0.166,421 16.324,422 0.466,423 1.293,424 0.037,425 42.75,426 1.221,427 21,428 0.6,429 21.75,430 0.621,431 34.064,432 0.973,433 38.876,434 0.67,435 39.403,436 1.126,437 8.271,438 0.236,439 8.194,440 0.234,441 0.165,442 0.082,443 0.3,445 3,447 0.494,448 1.006,449 0.721,450 1.165,451 0.548,452 0.933,453 0.513,454 0.953,455 0.739,456 0.997,457 0.496,458 0.952,459 0.927,460 1.064,461 1.057,462 1.159,463 0.898,464 1.155,465 0.716,466 0.8,467 0.845,468 0.953,469 0.688,470 0.973,471 0.648,472 0.744,473 0.859,474 0.958,475 0.658,476 1.039,477 0.842,478 0.597,479 0.823,480 0.73,481 0.928,482 0.888,483 0.63,484 0.885,485 0.891,486 1.108,487 0.652,488 1.086,489 0.891,490 0.776,491 1.135,492 0.949,493 0.942,494 1.037,495 11,496 0.263,497 5.111,498 4.076,499 2.778,500 1.389,501 0.969,502 0.679,503 0.604,504 0.425,505 17731,506 64589,507 1.994,508 39.7,509 9,510 11,513 1,514 2,517 1.768,518 1.81,519 3.636,520 -0.316,522 1,525 104.87,526 1.808,527 3.861,528 4.79,529 5.246,530 5.293,531 5.293,532 3.086,533 4.558,534 5.102,535 3.852,536 2292.22,537 8.963,538 35843,542 339.763,543 1.763,544 5.017,545 0.289,546 0.007,547 0.09,548 0.07,549 0.05,550 0.026,551 0.021,552 0.014,553 0.015,554 0.01,555 0.592,556 0.17,557 0.88,558 0.633,559 189.444,560 0.025,561 -0.052,562 0.15,563 -0.041,564 -0.046,565 0.032,566 0.13,567 -0.051,568 0.078,569 -0.004,570 0.134,571 0.007,572 -0.116,573 -0.122,574 -0.13,575 -0.153,576 -0.092,577 -0.177,578 0.071,579 -0.012,580 0.105,581 -0.022,582 0.096,583 0.022,584 0.176,585 0.048,586 0.023,587 -0.051,588 0.187,589 -0.048,590 -0.051,591 0.116,592 0.059,593 0.156,594 -0.104,595 0.13,596 0.091,597 -0.121,598 0.051,599 -0.126,600 0.091,601 -0.073,602 -0.005,603 0.015,604 -0.05,605 0.058,606 -0.029,607 -0.037,608 5.409,609 5.874,610 0.6,611 37.301,612 1.03,613 1.134,614 3.991,615 15.926,616 0.68,617 3.664,618 4.06,619 4.29,620 4.595,621 4.804,622 4.796,623 4.927,624 4.99,625 5.1,626 5.106,627 7.771,628 0.665,629 504.57,630 3.664,631 5.252,632 6.107,633 7.026,634 7.904,635 8.825,636 9.717,637 10.638,638 11.539,639 12.462,640 3.4,644 2,651 7,656 5,658 12,669 3,670 58,671 18,672 2,673 38,675 61,676 25,677 12,678 5,679 7,680 5,681 4,682 5,685 1,686 1,687 1,688 4,691 4,693 18,694 7,696 6,697 1,698 4,699 2,701 4,705 3,707 23,708 9,709 1,710 10,711 1,714 2,717 0.75,718 4,730 1,731 3,734 1,738 1,741 3,742 1,748 3,750 1,752 1,754 3,756 35,758 1,760 5,761 1,765 1,766 1,772 3,773 6.9,776 4,779 19.333,780 10.712,781 7.375,782 3.425,785 2.796,786 1.349,787 0.983,788 6.836,789 10.82,790 3.932,791 4.554,792 5.004,793 5.51,794 5.981,795 6.038,796 6.333,797 6.445,798 6.775,799 6.933,800 0.889,801 58,802 13.678,803 6.716,804 8.39,805 23.976,806 20.518,807 2.89,808 101.167,812 258.964,813 159.614,814 19.529,816 94.603,817 44.88,818 5.807,819 153.806,820 353.567,821 64.41,822 8.825,823 31.773,824 91.094,825 106.769,826 35.285,827 44.88,828 258.964,830 258.964,831 173.336,832 139.483,833 5.807,835 303.845,836 94.603,839 40.598,840 111.028,841 27.517,843 303.845,844 114.132,845 159.614,847 5.807,848 258.964,849 59.695,850 97.236,851 16.405,852 139.483,853 258.964,854 159.012,855 159.614,857 0.603,858 0.34,859 0.185,860 0.105,861 28,862 14,863 0.098,864 6,865 1,866 1.095,867 4.37,868 335.552,869 0.095,870 21,871 167.525,873 1,874 25.066,875 9.545,876 5.461,878 159.012,879 7.583,884 -2.524,886 16.405,887 577.59,888 50,889 -4.493,890 49.983,891 2.5,893 0.4,895 59.731,896 65.756,897 0.309,898 0.659,899 0.818,900 0.895,901 0.904,902 0.904,903 5.226,904 2.021,905 6.176,906 5.91,907 4.745,908 5.242,909 2.37,910 7.086,911 4.675,912 6.49,913 1.879,914 7.808,915 5.639,916 4.691,917 5.387,918 1.668,919 8.453,920 4.555,921 7.859,922 1.447,923 9.557,924 4.963,925 6.503,926 7.507,927 3.104,928 11.521,929 6.356,930 9.264,931 1.408,932 11.379,933 4.251,934 7.209,935 8.401,936 3.145,937 13.723,938 6.999,939 10.701,940 1.147,941 13.251,942 4.03,943 8.615,944 10.116,945 4.184,946 16.454,947 8.39,948 12.163,949 1,950 15.16,951 2.739,952 9.647,953 11.344,954 4.56,955 18.946,956 9.372,957 13.645,958 0.593,959 17.096,960 2.275,961 10.933,962 12.925,963 5.413,964 21.596,965 10.638,966 3.604,967 0.175,968 19.054,969 1.487,970 12.101,971 14.311,972 5.938,973 24.181,974 11.77,975 3.4,976 14.225,977 21.028,978 0.445,979 13.358,980 15.85,981 6.7,982 26.814,983 13.008,984 2.682,985 12.537,986 23.014,987 4.716,988 14.581,989 17.311,990 7.295,991 29.431,992 14.205,993 2.582,994 8.872,995 25.009,996 4.042,997 15.836,998 18.84,999 8.011,1000 32.064,1001 15.442,1002 2.455,1003 7.558,1004 27.011,1005 3.613,1006 17.082,1007 20.34,1008 8.64,1009 34.694,1010 16.67,1011 2.398,1012 7.296,1013 29.019,1014 3.599,1015 18.34,1016 21.869,1017 9.332,1018 37.33,1019 17.913,1020 2.14,1021 6.882,1022 31.031,1023 3.038,1024 19.596,1025 23.389,1026 9.979,1027 39.966,1028 19.155,1029 17085,1030 32920,1031 24.156,1032 39.426,1033 58.838,1034 61.304,1035 60.517,1036 58.038,1037 57.862,1038 74.099,1039 8.222,1040 178.22,1041 55.826,1042 5.828,1043 6.692,1044 7.17,1045 5.644,1046 5.604,1047 7.716,1048 3.356,1049 22.255,1050 5.553,1051 22.45,1052 1.548,1053 1.613,1054 1.593,1055 1.527,1056 1.523,1057 1.95,1058 0.216,1059 4.69,1060 1.469,1061 4.097,1062 4.105,1063 4.737,1064 4.063,1065 8.212,1066 3.994,1067 4.028,1068 4.03,1069 3.988,1070 3.948,1071 8.201,1072 3.933,1073 3.886,1074 3.916,1075 3.826,1076 3.819,1077 8.191,1078 3.816,1079 3.7,1080 3.711,1081 3.759,1082 3.572,1083 7.718,1084 3.55,1085 3.53,1086 3.551,1087 3.511,1088 3.418,1089 7.43,1090 3.389,1091 3.431,1092 3.466,1093 3.33,1094 3.262,1095 7.426,1096 3.261,1097 3.236,1098 3.302,1099 3.109,1100 3.063,1101 6.999,1102 3.059,1103 3.043,1104 3.105,1105 2.935,1106 2.849,1107 4.658,1108 2.855,1109 0.128,1110 0.123,1111 0.202,1112 0.121,1113 0.095,1114 4.863,1115 0.124,1116 4.692,1117 0.051,1118 7.694,1119 0.374,1120 4.589,1121 0.093,1122 3.604,1123 4.716,1124 1.946,1125 14.225,1126 3.553,1127 1.951,1128 1.959,1129 2.085,1130 2.047,1131 1.455,1132 2.066,1133 1.93,1134 1.903,1135 2.01,1136 2.019,1137 1.157,1138 2.04,1139 1.887,1140 1.858,1141 1.929,1142 1.984,1143 1.138,1144 1.996,1145 1.604,1146 1.579,1147 1.759,1148 1.78,1149 0.985,1150 1.775,1151 1.481,1152 1.47,1153 1.631,1154 1.699,1155 0.788,1156 1.687,1157 1.324,1158 1.32,1159 1.541,1160 1.51,1161 0.692,1162 1.534,1163 1.285,1164 1.21,1165 1.354,1166 1.477,1167 0.551,1168 1.512,1169 1.014,1170 0.95,1171 1.267,1172 1.264,1173 0.508,1174 1.293,1175 4.344,1177 5.72,1178 2.398,1179 7.276,1180 4.949,1181 8.92,1182 7.222,1183 10.615,1185 1.973,1187 40.101,1190 2.667,1191 1.775,1195 1.635,1196 -0.434,1199 38.561,1200 104.87,1201 223.967,1202 277.847,1203 304.253,1204 307.008,1205 307.008,1206 129.678,1207 8.024,1208 83.55,1209 91.93,1210 23,1211 12.973,1212 4.248,1213 3.7,1214 59.506,1215 162,1216 169,1217 0.175,1218 236.03,1219 437.3,1220 567.674,1221 37830,1222 5.2,1223 25.38,1224 0.725,1225 0.562,1226 23.019,1227 19.671,1228 16.465,1229 0.433,1230 0.328,1231 10.92,1232 14.954,1233 10.558,1234 8.671,1235 16.105,1236 12.445,1237 16.529,1238 0.29,1239 0.187,1240 15.928,1241 10.662,1242 12.545,1243 0.174,1244 0.105,1245 12.695,1246 7.56,1247 10.932,1248 0.112,1249 0.058,1250 11.165,1251 5.692,1252 8.74,1253 0.072,1254 0.033,1255 8.512,1256 3.934,1257 0.278,1258 112.672,1259 0.203,1260 32.181,1261 0.475,1262 190,1263 780.114,1264 251.577,1265 689.976,1266 887.91,1267 630,1268 224,1269 588.897,1270 291.499,1271 613.386,1272 893.07,1273 573,1274 5.377}
{0 CHEMBL482330,1 1.76,2 13.833,3 3.93,4 15.443,5 132.224,6 8.332,7 0.308,8 4.229,9 4.32,10 3.994,11 3.804,12 5.38,13 3.779,14 4.798,15 4.939,16 4.338,17 4.212,18 6.124,19 4.178,20 5.086,21 5.248,22 4.459,23 4.39,24 6.398,25 4.332,26 5.22,27 5.427,28 4.403,29 4.389,30 6.495,31 4.318,32 5.177,33 5.382,34 4.328,35 4.336,36 6.496,37 4.26,38 5.148,39 5.37,40 4.264,41 4.287,42 6.459,43 4.205,44 5.046,45 5.246,46 4.301,47 4.246,48 6.32,49 4.179,50 5.073,51 5.266,52 4.272,53 4.235,54 6.417,55 4.142,56 0.173,57 1.013,58 13.268,59 6.453,60 28.283,61 7,62 0.63,63 1.646,64 24.254,65 10.94,66 78.486,67 12.503,68 0.888,69 2.247,70 35.764,71 14.737,72 140.038,73 16.427,74 1.147,75 2.22,76 45.161,77 15.857,78 184.574,79 18.953,80 1.233,81 2.049,82 42.278,83 15.324,84 194.353,85 18.764,86 1.265,87 1.931,88 41.4,89 14.889,90 212.055,91 18.735,92 0.921,93 1.815,94 37.524,95 13.663,96 142.795,97 16.598,98 1.255,99 1.8,100 40.162,101 14.025,102 199.127,103 15.872,104 66,105 58,106 0.281,107 0.625,108 0.808,109 0.89,110 0.895,111 0.895,112 3.616,113 0.99,114 -4.56,115 -4.49,116 -4.22,118 41.9,119 1,120 4,122 1,123 1,124 1,129 2,130 1,132 1,133 7,134 1,135 4,145 2,154 13,157 2,158 8,160 3,162 1,164 14,167 14,170 3,171 12,174 2,175 13,179 2,180 10,183 1,184 11,189 1,192 15,195 1,196 7,198 1,200 2,202 16,205 1,206 9,210 3,211 14,214 3,215 9,217 1,219 1,222 9,226 12,230 2,233 7,236 2552,237 23.435,238 23.435,239 23.435,240 23.435,241 23.435,242 20.983,243 27.977,244 13.311,245 23.924,246 19.136,247 19.136,248 19.136,249 19.136,250 19.136,251 15.153,252 34.148,253 6.195,254 19.887,255 4.194,256 2.035,257 0.89,258 0.379,259 0.347,260 0.347,261 4.301,266 1,267 1060,268 4.637,270 85.293,271 354.582,274 162.013,277 1.954,278 69.34,280 0.75,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.78,288 81,289 498,290 4.861,291 4.69,292 7.694,293 4.59,294 3.604,295 4.713,296 1.946,297 14.225,298 3.553,299 4.749,300 4.026,301 7.311,302 4.318,303 3.398,304 4.042,305 0.98,306 12.521,307 3.098,308 4.107,309 3.427,310 6.16,311 3.702,312 2.728,313 3.717,314 0.86,315 8.89,316 2.657,317 4.074,318 3.347,319 5.898,320 3.644,321 2.71,322 3.667,323 0.827,324 8.064,325 2.525,326 3.797,327 3.249,328 5.708,329 3.456,330 2.478,331 3.042,332 0.359,333 7.722,334 2.431,335 3.652,336 2.956,337 5.538,338 3.403,339 2.415,340 2.801,342 7.281,343 2.362,344 3.532,345 2.655,346 5.15,347 3.169,348 2.158,349 2.674,351 6.057,352 2.16,353 3.318,354 2.489,355 4.946,356 2.963,357 1.997,358 2.534,360 5.734,361 1.915,362 3.082,363 2.117,364 4.681,365 2.551,366 1.57,367 2.293,369 4.625,370 1.527,371 2.819,372 1.986,373 4.554,374 2.447,375 1.445,376 1.947,378 4.062,379 1.44,380 2.718,381 1.74,382 4.04,383 2.352,384 1.414,385 1.782,387 3.513,388 1.31,389 2.63,390 1.375,391 3.922,392 2.233,393 1.245,394 1.586,395 2.784,396 1.227,397 2.39,398 1.254,399 3.503,400 2.103,401 1.111,402 1.272,403 2.585,404 1.099,405 2.096,406 0.957,407 3.356,408 1.572,409 0.576,410 0.808,411 1.448,412 0.57,413 1.584,414 0.935,415 3.189,416 1.294,417 0.429,418 0.481,419 0.626,420 0.368,421 16.871,422 0.469,423 1.238,424 0.034,425 44,426 1.222,427 21.5,428 0.597,429 22.5,430 0.625,431 35.615,432 0.989,433 40.129,434 0.647,435 40.602,436 1.128,437 8.567,438 0.238,439 8.453,440 0.235,441 0.172,442 0.079,443 0.29,445 2,447 0.537,448 1.098,449 0.748,450 1.211,451 0.557,452 0.969,453 0.612,454 0.949,455 0.765,456 0.944,457 0.52,458 0.899,459 0.847,460 1.081,461 1.009,462 1.171,463 0.811,464 1.137,465 0.823,466 0.891,467 0.945,468 0.991,469 0.775,470 1.015,471 0.731,472 0.808,473 0.857,474 0.968,475 0.767,476 1.042,477 0.715,478 0.679,479 0.748,480 0.784,481 0.823,482 0.895,483 0.708,484 0.872,485 0.872,486 1.019,487 0.725,488 0.979,489 0.943,490 0.762,491 1.13,492 0.969,493 0.951,494 1.036,495 10.5,496 0.296,497 5.556,498 4.076,499 2.56,500 1.563,501 0.915,502 0.82,503 0.6,504 0.392,505 19086,506 64598,507 1.994,508 41.9,509 9,510 14,513 1,514 2,517 1.775,518 1.815,519 3.707,520 -0.327,525 109.128,526 1.76,527 3.919,528 5.064,529 5.575,530 5.607,531 5.607,532 3.184,533 5.059,534 5.142,535 3.896,536 2454.36,537 9.044,538 39215.1,542 369.16,543 1.747,544 5.06,545 0.269,546 0.008,547 0.096,548 0.067,549 0.045,550 0.029,551 0.018,552 0.016,553 0.013,554 0.009,555 0.57,556 0.17,557 0.88,558 0.769,559 196.735,560 0.024,561 -0.083,562 0.16,563 -0.064,564 -0.057,565 0.019,566 0.112,567 -0.001,568 0.092,569 0.063,570 0.128,571 0.069,572 -0.017,573 -0.091,574 -0.077,575 -0.148,576 0.016,577 -0.158,578 -0.017,579 -0.037,580 -0.009,581 -0.048,582 0.044,583 -0.031,584 0.08,585 -0.003,586 0.021,587 -0.053,588 0.072,589 -0.051,590 0.101,591 0.103,592 0.126,593 0.11,594 0.059,595 0.108,596 0.065,597 -0.056,598 0.085,599 -0.042,600 0.05,601 0.023,602 -0.011,603 0.052,604 -0.073,605 0.039,606 -0.004,607 -0.061,608 5.315,609 6.005,610 0.583,611 39.827,612 1.023,613 1.13,614 3.332,615 11.101,616 0.673,617 3.689,618 4.078,619 4.331,620 4.605,621 4.812,622 4.852,623 4.956,624 5.037,625 5.136,626 5.153,627 7.965,628 0.652,629 516.61,630 3.689,631 5.273,632 6.133,633 7.047,634 7.929,635 8.847,636 9.74,637 10.66,638 11.561,639 12.484,640 3.2,644 2,651 7,656 5,658 12,668 1,669 2,670 62,671 18,672 2,673 39,675 65,676 26,677 12,678 5,679 7,680 5,681 4,682 5,685 1,686 1,687 1,688 4,691 4,693 18,694 8,696 6,697 1,698 4,699 2,701 4,705 2,707 26,708 9,709 1,710 10,711 1,714 2,717 0.75,718 5,730 1,731 3,734 1,738 1,741 3,742 1,748 3,750 1,752 2,754 2,756 36,758 1,760 5,761 1,762 1,765 1,766 1,772 2,773 8.1,776 4,778 1,779 19.833,780 11.736,781 7.736,782 3.605,785 2.829,786 1.349,787 0.971,788 7.354,789 10.937,790 3.951,791 4.564,792 5.034,793 5.519,794 5.981,795 6.121,796 6.354,797 6.471,798 6.801,799 6.97,800 1,801 61,802 13.972,803 6.703,804 8.241,805 24.864,806 21.041,807 2.741,808 98.667,812 294.278,813 166.619,814 19.529,816 105.603,817 29.92,818 5.807,819 160.812,820 399.88,821 49.45,822 19.708,823 31.773,824 91.094,825 106.769,826 42.407,827 29.92,828 294.278,830 294.278,831 180.341,832 135.523,833 5.807,835 324.198,836 105.603,839 40.598,840 118.033,841 27.517,843 324.198,844 125.132,845 166.619,847 5.807,848 294.278,849 55.817,850 108.119,851 16.405,852 135.523,853 294.278,854 155.052,855 166.619,857 0.599,858 0.35,859 0.183,860 0.101,861 28,862 14,863 0.108,864 7,865 1,866 1.095,867 4.441,868 348.037,869 0.095,870 21,871 184.117,873 1,874 26.061,875 10.158,876 5.556,878 155.052,879 9.483,884 -1.529,886 16.405,887 615.949,888 51,889 -4.398,890 50.271,891 2.609,893 0.643,895 63.429,896 70.041,897 0.296,898 0.658,899 0.851,900 0.936,901 0.942,902 0.942,903 5.242,904 1.997,905 6.196,906 6.057,907 4.762,908 5.252,909 2.499,910 7.109,911 4.69,912 6.501,913 1.57,914 7.833,915 5.734,916 4.691,917 5.387,918 1.668,919 8.479,920 4.562,921 7.87,922 1.445,923 9.586,924 4.625,925 6.524,926 7.52,927 3.152,928 11.546,929 6.373,930 9.276,931 1.414,932 11.411,933 4.062,934 7.231,935 8.421,936 3.145,937 13.742,938 7.018,939 10.716,940 1.245,941 13.285,942 3.513,943 8.64,944 10.136,945 4.196,946 16.467,947 8.409,948 12.181,949 1.111,950 15.194,951 2.784,952 9.672,953 11.37,954 4.56,955 18.953,956 9.39,957 13.665,958 0.576,959 17.128,960 2.585,961 10.957,962 12.949,963 5.416,964 21.6,965 10.655,966 3.604,967 0.429,968 19.083,969 1.448,970 12.122,971 14.335,972 5.938,973 24.182,974 11.785,975 3.398,976 14.225,977 21.053,978 0.626,979 13.376,980 15.87,981 6.701,982 26.814,983 13.019,984 2.728,985 12.521,986 23.035,987 4.713,988 14.596,989 17.33,990 7.295,991 29.43,992 14.215,993 2.71,994 8.89,995 25.027,996 4.042,997 15.847,998 18.855,999 8.011,1000 32.062,1001 15.45,1002 2.478,1003 8.064,1004 27.026,1005 3.717,1006 17.091,1007 20.352,1008 8.64,1009 34.691,1010 16.675,1011 2.415,1012 7.722,1013 29.031,1014 3.667,1015 18.346,1016 21.878,1017 9.332,1018 37.327,1019 17.917,1020 2.158,1021 7.281,1022 31.04,1023 3.042,1024 19.601,1025 23.395,1026 9.979,1027 39.963,1028 19.158,1029 18446,1030 34328,1031 24.849,1032 41.705,1033 59.71,1034 62.823,1035 62.095,1036 58.745,1037 58.859,1038 75.074,1039 9.942,1040 180.998,1041 56.748,1042 5.826,1043 6.69,1044 7.287,1045 5.644,1046 5.604,1047 7.713,1048 3.356,1049 22.255,1050 5.553,1051 22.944,1052 1.531,1053 1.611,1054 1.592,1055 1.506,1056 1.509,1057 1.925,1058 0.255,1059 4.641,1060 1.455,1061 4.098,1062 4.105,1063 4.737,1064 4.063,1065 8.24,1066 3.995,1067 4.028,1068 4.03,1069 3.989,1070 3.948,1071 8.161,1072 3.933,1073 3.888,1074 3.913,1075 3.823,1076 3.821,1077 7.718,1078 3.817,1079 3.703,1080 3.713,1081 3.766,1082 3.572,1083 7.43,1084 3.551,1085 3.532,1086 3.553,1087 3.511,1088 3.418,1089 7.426,1090 3.391,1091 3.435,1092 3.469,1093 3.33,1094 3.264,1095 6.999,1096 3.262,1097 3.283,1098 3.342,1099 3.131,1100 3.079,1101 4.866,1102 3.076,1103 3.193,1104 3.265,1105 3.029,1106 2.951,1107 4.553,1108 2.957,1109 0.125,1110 0.12,1111 0.197,1112 0.118,1113 0.092,1114 4.861,1115 0.121,1116 4.69,1117 0.05,1118 7.694,1119 0.365,1120 4.59,1121 0.091,1122 3.604,1123 4.713,1124 1.946,1125 14.225,1126 3.553,1127 1.951,1128 1.96,1129 2.085,1130 2.048,1131 1.455,1132 2.066,1133 1.93,1134 1.905,1135 2.015,1136 2.02,1137 1.165,1138 2.041,1139 1.889,1140 1.862,1141 1.932,1142 1.988,1143 1.14,1144 1.999,1145 1.603,1146 1.579,1147 1.76,1148 1.781,1149 0.986,1150 1.775,1151 1.482,1152 1.471,1153 1.631,1154 1.705,1155 0.792,1156 1.691,1157 1.326,1158 1.322,1159 1.593,1160 1.541,1161 0.708,1162 1.565,1163 1.293,1164 1.222,1165 1.528,1166 1.48,1167 0.571,1168 1.512,1169 1.186,1170 1.112,1171 1.362,1172 1.473,1173 0.542,1174 1.497,1175 4.369,1177 5.74,1178 2.398,1179 7.298,1180 4.949,1181 8.944,1182 7.222,1183 10.64,1185 3.591,1187 26.595,1190 2.938,1191 1.841,1192 5.283,1195 1.726,1196 -0.387,1199 40.419,1200 109.128,1201 242.979,1202 313.999,1203 345.65,1204 347.65,1205 347.65,1206 123.071,1207 8.108,1208 92.78,1209 101.16,1210 23,1211 12.995,1212 4.248,1213 3.7,1214 62.151,1215 170,1216 178,1217 0.174,1218 248.421,1219 457.32,1220 597.907,1221 42247,1222 3.2,1223 26.087,1224 0.725,1225 0.575,1226 24.597,1227 20.701,1228 17.02,1229 0.436,1230 0.33,1231 11.333,1232 15.485,1233 10.908,1234 9.008,1235 17.036,1236 12.875,1237 16.56,1238 0.286,1239 0.187,1240 16.731,1241 10.858,1242 13.298,1243 0.177,1244 0.105,1245 13.439,1246 7.854,1247 11.026,1248 0.111,1249 0.059,1250 11.729,1251 5.804,1252 8.719,1253 0.071,1254 0.033,1255 8.937,1256 4.001,1257 0.276,1258 116.251,1259 0.201,1260 32.949,1261 0.471,1262 194,1263 741.738,1264 254.625,1265 674.089,1266 877.57,1267 618,1268 230,1269 587.109,1270 298.749,1271 618.403,1272 901.32,1273 576,1274 5.194}
{0 CHEMBL483991,1 1.738,2 8.786,3 6.054,4 36.656,5 114.548,6 9.071,7 0.516,8 3.976,9 4.068,10 3.748,11 3.643,12 5.075,13 3.583,14 4.527,15 4.672,16 4.209,17 4.092,18 5.645,19 4.003,20 4.805,21 4.98,22 4.411,23 4.278,24 5.83,25 4.145,26 4.832,27 5.016,28 4.384,29 4.298,30 5.811,31 4.154,32 4.835,33 4.987,34 4.319,35 4.306,36 5.876,37 4.166,38 4.917,39 5.103,40 4.218,41 4.279,42 5.927,43 4.161,44 4.92,45 5.124,46 4.184,47 4.262,48 5.916,49 4.135,50 5.011,51 5.254,52 4.221,53 4.183,54 6.1,55 4.022,56 0.052,57 0.637,58 7.504,59 4.451,60 9.662,61 5.355,62 0.22,63 1.11,64 17.201,65 8.232,66 40.801,67 10.117,68 0.411,69 1.442,70 35.658,71 11.977,72 51.919,73 13.781,74 0.376,75 1.523,76 36.849,77 12.643,78 39.452,79 14.479,80 0.36,81 1.524,82 36.276,83 13.461,84 36.334,85 14.661,86 0.402,87 1.648,88 35.389,89 13.23,90 40.62,91 14.984,92 0.27,93 1.544,94 28.953,95 12.474,96 37.198,97 16.272,98 0.51,99 1.533,100 41.037,101 14.86,102 76.109,103 19.311,104 42,105 46,106 0.294,107 0.653,108 0.813,109 0.856,110 0.863,111 0.863,112 3.376,113 1.045,114 -5.54,115 -5.41,116 -5.05,118 43.8,119 2,120 2,121 2,124 1,133 4,134 1,135 4,136 1,137 1,142 2,145 1,150 1,153 1,154 5,155 1,158 8,160 1,162 1,164 10,165 1,167 5,170 1,171 10,172 1,174 1,175 3,176 1,179 1,180 13,183 1,184 5,187 1,192 10,193 2,196 7,200 2,202 14,203 1,206 3,207 1,210 1,211 14,212 3,214 1,215 5,217 1,219 3,222 7,223 3,226 4,230 3,233 6,234 1,236 1292,237 18.499,238 18.499,239 18.499,240 18.499,241 18.499,242 16.342,243 18.578,244 10.606,245 19.057,246 15.294,247 15.294,248 15.294,249 15.294,250 15.294,251 11.926,252 14.006,253 5.013,254 16.388,255 3.847,256 1.727,257 0.781,258 0.531,259 0.49,260 0.49,261 4.066,262 2,266 1,267 526,268 3.606,270 95.31,271 135.735,273 78.38,274 90.397,276 122.348,277 1.117,278 28.312,280 0.75,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.86,288 59.667,289 246,290 4.848,291 4.604,292 7.255,293 4.417,294 3.461,295 4.807,296 2.95,297 12.951,298 3.309,299 4.215,300 3.646,301 6.434,302 3.807,303 2.83,304 3.87,305 2.341,306 9.811,307 2.77,308 4.07,309 3.528,310 5.961,311 3.715,312 2.825,313 3.483,315 8.385,316 2.456,317 3.664,318 3.261,319 5.829,320 3.369,321 2.385,322 3.023,324 7.776,325 2.336,326 3.595,327 3.028,328 5.552,329 3.174,330 2.311,331 2.813,333 7.061,334 2.019,335 3.398,336 2.787,337 5.125,338 3.015,339 2.023,340 2.663,342 5.9,343 1.927,344 3.201,345 2.437,346 4.97,347 2.832,348 1.896,349 2.364,351 5.403,352 1.7,353 2.822,354 2.143,355 4.351,356 2.466,357 1.503,358 1.949,360 3.954,361 1.44,362 2.819,363 1.704,364 4.043,365 2.306,366 1.414,367 1.915,369 3.524,370 1.198,371 2.548,372 1.371,373 3.9,374 2.17,375 1.205,376 1.544,378 3.012,379 1.158,380 2.287,381 1.187,382 3.791,383 2.005,384 1.039,385 1.243,387 2.658,388 1,389 1.88,390 1.13,391 3.6,392 1.675,393 0.746,394 0.826,395 1.939,396 0.678,397 1.502,398 0.985,399 2.967,400 1.048,401 0.245,402 0.295,403 0.568,404 0.168,405 1.075,406 0.714,407 2.609,408 0.732,409 -0.16,410 -0.182,411 -0.427,412 -0.122,413 0.923,414 0.433,415 2.483,416 0.512,417 -0.373,418 -0.439,419 -1.031,420 -0.327,421 14.229,422 0.508,423 0.895,424 0.032,425 33.75,426 1.205,427 16,428 0.571,429 17.75,430 0.634,431 30.092,432 1.075,433 29.571,434 0.616,435 23.693,436 0.846,437 5.979,438 0.214,439 7.384,440 0.264,441 0.218,443 0.415,447 0.685,448 1.124,449 0.582,450 0.799,451 0.665,452 0.818,453 0.535,454 1.047,455 0.607,456 0.763,457 0.367,458 0.792,459 0.879,460 0.999,461 0.884,462 0.91,463 0.818,464 0.895,465 0.788,466 0.938,467 0.881,468 0.947,469 0.702,470 0.907,471 0.746,472 1.274,473 0.998,474 1.31,475 0.886,476 1.155,477 0.878,478 1.165,479 0.895,480 1.166,481 0.854,482 1.085,483 0.609,484 1.145,485 0.662,486 0.97,487 0.589,488 1.11,489 0.726,490 1.006,491 0.689,492 0.884,493 0.855,494 1,495 6,496 0.07,497 3.333,498 2.764,499 1.887,500 1.577,501 0.838,502 0.713,503 0.611,504 0.237,505 8174,506 27187,507 2.051,508 41.7,509 6,510 6,512 1,513 1,514 4,515 2,517 1.721,518 1.867,519 3.089,520 -0.323,525 83.401,526 1.738,527 3.858,528 4.804,529 5.054,530 5.095,531 5.095,532 2.431,533 4.209,534 4.776,535 3.246,536 1226.99,537 8.368,538 15597.4,542 268.078,543 1.531,544 4.711,545 0.194,546 0.009,547 0.072,548 0.058,549 0.039,550 0.033,551 0.018,552 0.017,553 0.017,554 0.011,555 0.467,556 0.17,557 0.88,558 1.092,559 136.344,560 -0.052,561 -0.051,562 0.019,563 0.048,564 -0.059,565 0.039,566 0.117,567 0.024,568 0.109,569 0.139,570 0.213,571 0.118,572 -0.054,573 0.06,574 0.07,575 0.114,576 -0.057,577 0.067,578 -0.05,579 0.153,580 0.046,581 0.11,582 -0.049,583 0.064,584 0.011,585 -0.188,586 -0.126,587 -0.199,588 -0.069,589 -0.195,590 -0.095,591 -0.082,592 -0.132,593 -0.183,594 -0.059,595 -0.143,596 0.039,597 -0.175,598 0.003,599 -0.143,600 0.033,601 -0.155,602 0.193,603 -0.129,604 0.173,606 0.115,607 0.022,608 2.434,609 4.447,610 0.643,611 22.888,612 1.009,613 1.112,614 4.307,615 18.554,616 0.727,617 3.466,618 3.85,619 4.174,620 4.543,621 4.836,622 5.05,623 5.273,624 5.412,625 5.517,626 5.568,627 5.517,628 0.679,629 435.4,630 3.466,631 5.043,632 5.927,633 6.851,634 7.767,635 8.703,636 9.634,637 10.576,638 11.516,639 12.462,640 4.2,645 1,647 1,650 2,651 5,652 1,656 6,657 1,658 16,669 2,670 48,671 17,672 1,673 31,675 51,676 21,677 13,678 3,679 3,681 4,682 7,683 2,685 2,688 1,689 1,691 2,693 14,694 7,695 2,696 1,698 1,701 1,707 20,708 3,709 1,710 7,711 3,714 2,717 0.5,718 2,726 1,727 1,730 2,731 2,733 1,734 1,736 1,739 1,746 1,748 2,749 1,750 1,752 2,753 2,756 28,759 1,760 3,763 1,764 2,772 2,773 4.2,775 1,776 1,779 15,780 9.302,781 6,782 3.056,785 3.165,786 1.401,787 0.975,788 5.559,789 11.053,790 3.714,791 4.379,792 5.013,793 5.688,794 6.273,795 6.682,796 7.148,797 7.575,798 7.888,799 8.203,800 0.833,801 48,802 10.372,803 4.528,804 7.794,805 19.898,806 17.064,807 2.294,808 64.222,812 223.651,813 125.24,814 18.685,815 78.297,816 67.828,818 32.22,819 93.021,820 369.776,821 18.685,822 17.65,823 7.175,824 37.905,825 97.295,826 26.379,827 4.901,828 244.099,829 78.297,830 223.651,831 111.705,832 67.828,833 110.517,835 200.109,836 91.37,839 38.528,840 56.391,841 95.083,842 32.22,843 223.651,844 86.513,845 203.538,848 223.651,849 60.637,850 66.502,852 162.911,853 223.651,854 86.513,855 203.538,857 0.595,858 0.345,859 0.196,860 0.117,861 24,862 12,863 0.098,864 5,865 2,866 1.222,867 3.72,868 263.585,869 0.222,870 18,871 132.606,872 1,874 19.931,875 7.81,876 3.657,877 2.253,878 84.614,879 9.481,880 4.649,884 5.236,885 2.274,886 42.683,887 513.701,888 40,890 11.447,893 -0.767,895 48.418,896 53.375,897 0.311,898 0.691,899 0.86,900 0.905,901 0.912,902 0.912,903 4.99,904 1.503,905 5.953,906 5.403,907 4.533,908 5.066,909 3.295,910 6.849,911 4.402,912 6.232,913 1.414,914 7.565,915 3.954,916 4.29,917 5.075,918 2.243,919 7.921,920 4.07,921 7.574,922 1.205,923 9.277,924 3.524,925 6.201,926 7.354,927 5.242,928 11.093,929 5.968,930 8.953,931 1.039,932 11.05,933 3.012,934 6.758,935 8.193,936 4.112,937 13.038,938 6.45,939 10.367,940 0.746,941 12.861,942 2.658,943 8.196,944 10.008,945 7.313,946 15.767,947 7.873,948 11.808,949 0.245,950 14.702,951 1.939,952 9.118,953 11.238,954 5.889,955 18.081,956 8.736,957 13.27,958 -0.16,959 16.565,960 0.568,961 10.393,962 12.884,963 9.427,964 20.678,965 9.987,966 3.461,967 -0.373,968 18.446,969 -0.427,970 11.481,971 14.297,972 7.625,973 23.142,974 11.027,975 2.83,976 12.951,977 20.342,978 -1.031,979 12.707,980 15.882,981 11.56,982 25.704,983 12.222,984 2.825,985 9.811,986 22.25,987 4.807,988 13.87,989 17.379,990 9.342,991 28.225,992 13.341,993 2.385,994 8.385,995 24.169,996 3.87,997 15.087,998 18.946,999 13.706,1000 30.781,1001 14.522,1002 2.311,1003 7.776,1004 26.097,1005 3.483,1006 16.285,1007 20.48,1008 11.051,1009 33.325,1010 15.679,1011 2.023,1012 7.061,1013 28.033,1014 3.023,1015 17.505,1016 22.043,1017 15.858,1018 35.881,1019 16.86,1020 1.896,1021 5.9,1022 29.975,1023 2.813,1024 18.721,1025 23.595,1026 12.755,1027 38.434,1028 18.034,1029 8018,1030 14773,1031 20.115,1032 34.898,1033 48.151,1034 51.751,1035 50.395,1036 47.929,1037 47.771,1038 61.589,1039 10.582,1040 145.887,1041 44.315,1042 5.739,1043 6.604,1044 6.766,1045 5.57,1046 5.461,1047 7.807,1048 5.9,1049 20.588,1050 5.309,1051 16.718,1052 1.553,1053 1.669,1054 1.626,1055 1.546,1056 1.541,1057 1.987,1058 0.341,1059 4.706,1060 1.43,1061 4.19,1062 4.222,1063 4.258,1064 4.113,1065 7.474,1066 4.111,1067 3.877,1068 3.887,1069 4.088,1070 3.854,1071 6.351,1072 3.833,1073 3.747,1074 3.796,1075 3.656,1076 3.622,1077 5.046,1078 3.621,1079 3.536,1080 3.588,1081 3.634,1082 3.385,1083 4.959,1084 3.373,1085 3.372,1086 3.411,1087 3.409,1088 3.172,1089 4.491,1090 3.17,1091 3.144,1092 3.174,1093 3.397,1094 3.117,1095 4.452,1096 3.066,1097 2.883,1098 3.009,1099 3.244,1100 2.819,1101 4.229,1102 2.789,1103 2.874,1104 2.922,1105 3.027,1106 2.778,1107 4.127,1108 2.749,1109 0.156,1110 0.149,1111 0.234,1112 0.142,1113 0.112,1114 4.848,1115 0.155,1116 4.604,1117 0.095,1118 7.255,1119 0.418,1120 4.417,1121 0.107,1122 3.461,1123 4.807,1124 2.95,1125 12.951,1126 3.309,1127 1.939,1128 1.917,1129 2.03,1130 2.043,1131 1.309,1132 2.042,1133 1.856,1134 1.841,1135 1.897,1136 1.903,1137 1.214,1138 1.927,1139 1.696,1140 1.661,1141 1.884,1142 1.848,1143 1.067,1144 1.856,1145 1.589,1146 1.524,1147 1.802,1148 1.781,1149 1.019,1150 1.796,1151 1.423,1152 1.368,1153 1.622,1154 1.597,1155 0.85,1156 1.619,1157 1.195,1158 1.175,1159 1.417,1160 1.444,1161 0.541,1162 1.409,1163 0.934,1164 0.893,1165 1.332,1166 1.239,1167 0.469,1168 1.308,1169 0.92,1170 0.824,1171 1.104,1172 1.075,1173 0.244,1174 1.102,1175 4.143,1177 5.509,1178 3.045,1179 7.062,1180 5.533,1181 8.713,1182 7.758,1183 10.423,1185 4.264,1186 12.306,1189 9.404,1190 1.8,1193 1.618,1194 0.257,1199 32.583,1200 83.401,1201 185.166,1202 230.568,1203 242.568,1204 244.568,1205 244.568,1206 53.159,1207 7.888,1208 55.12,1209 80.42,1210 22,1211 12.955,1212 4.17,1213 3.322,1214 41.91,1215 87,1216 104,1217 0.231,1218 208.595,1219 357.11,1220 500.731,1221 26469,1222 4.2,1223 19.999,1224 0.714,1225 0.639,1226 21.353,1227 17.905,1228 13.363,1229 0.431,1230 0.348,1231 9.282,1232 12.033,1233 8.861,1234 7.289,1235 14.349,1236 10.794,1237 12.821,1238 0.279,1239 0.202,1240 14.205,1241 9.271,1242 10.455,1243 0.163,1244 0.11,1245 12.13,1246 7.012,1247 9.221,1248 0.099,1249 0.06,1250 10.669,1251 5.586,1252 7.822,1253 0.063,1254 0.035,1255 9.45,1256 4.38,1257 0.344,1258 92.758,1259 0.223,1260 25.815,1261 0.693,1262 154,1263 432.443,1264 219.558,1265 501.901,1266 666.7,1267 466,1268 187,1269 430.121,1270 246.211,1271 470.98,1272 698.99,1273 445,1274 4.59}
{0 CHEMBL484778,1 1.738,2 8.786,3 6.054,4 36.656,5 114.548,6 9.071,7 0.516,8 3.976,9 4.068,10 3.748,11 3.643,12 5.075,13 3.583,14 4.527,15 4.672,16 4.209,17 4.092,18 5.645,19 4.003,20 4.805,21 4.98,22 4.411,23 4.278,24 5.83,25 4.145,26 4.832,27 5.016,28 4.384,29 4.298,30 5.811,31 4.154,32 4.835,33 4.987,34 4.319,35 4.306,36 5.876,37 4.166,38 4.917,39 5.103,40 4.218,41 4.279,42 5.927,43 4.161,44 4.92,45 5.124,46 4.184,47 4.262,48 5.916,49 4.135,50 5.011,51 5.254,52 4.221,53 4.183,54 6.1,55 4.022,56 0.052,57 0.637,58 7.504,59 4.451,60 9.662,61 5.355,62 0.22,63 1.11,64 17.201,65 8.232,66 40.801,67 10.117,68 0.411,69 1.442,70 35.658,71 11.977,72 51.919,73 13.781,74 0.376,75 1.523,76 36.849,77 12.643,78 39.452,79 14.479,80 0.36,81 1.524,82 36.276,83 13.461,84 36.334,85 14.661,86 0.402,87 1.648,88 35.389,89 13.23,90 40.62,91 14.984,92 0.27,93 1.544,94 28.953,95 12.474,96 37.198,97 16.272,98 0.51,99 1.533,100 41.037,101 14.86,102 76.109,103 19.311,104 42,105 46,106 0.294,107 0.653,108 0.813,109 0.856,110 0.863,111 0.863,112 3.376,113 1.045,114 -5.54,115 -5.41,116 -5.05,118 43.8,119 2,120 2,121 2,124 1,133 4,134 1,135 4,136 1,137 1,142 2,145 1,150 1,153 1,154 5,155 1,158 8,160 1,162 1,164 10,165 1,167 5,170 1,171 10,172 1,174 1,175 3,176 1,179 1,180 13,183 1,184 5,187 1,192 10,193 2,196 7,200 2,202 14,203 1,206 3,207 1,210 1,211 14,212 3,214 1,215 5,217 1,219 3,222 7,223 3,226 4,230 3,233 6,234 1,236 1292,237 18.499,238 18.499,239 18.499,240 18.499,241 18.499,242 16.342,243 18.578,244 10.606,245 19.057,246 15.294,247 15.294,248 15.294,249 15.294,250 15.294,251 11.926,252 14.006,253 5.013,254 16.388,255 3.847,256 1.727,257 0.781,258 0.531,259 0.49,260 0.49,261 4.066,262 2,266 1,267 526,268 3.606,270 95.31,271 135.735,273 78.38,274 90.397,276 122.348,277 1.117,278 28.312,280 0.75,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.86,288 59.667,289 246,290 4.848,291 4.604,292 7.255,293 4.417,294 3.461,295 4.807,296 2.95,297 12.951,298 3.309,299 4.215,300 3.646,301 6.434,302 3.807,303 2.83,304 3.87,305 2.341,306 9.811,307 2.77,308 4.07,309 3.528,310 5.961,311 3.715,312 2.825,313 3.483,315 8.385,316 2.456,317 3.664,318 3.261,319 5.829,320 3.369,321 2.385,322 3.023,324 7.776,325 2.336,326 3.595,327 3.028,328 5.552,329 3.174,330 2.311,331 2.813,333 7.061,334 2.019,335 3.398,336 2.787,337 5.125,338 3.015,339 2.023,340 2.663,342 5.9,343 1.927,344 3.201,345 2.437,346 4.97,347 2.832,348 1.896,349 2.364,351 5.403,352 1.7,353 2.822,354 2.143,355 4.351,356 2.466,357 1.503,358 1.949,360 3.954,361 1.44,362 2.819,363 1.704,364 4.043,365 2.306,366 1.414,367 1.915,369 3.524,370 1.198,371 2.548,372 1.371,373 3.9,374 2.17,375 1.205,376 1.544,378 3.012,379 1.158,380 2.287,381 1.187,382 3.791,383 2.005,384 1.039,385 1.243,387 2.658,388 1,389 1.88,390 1.13,391 3.6,392 1.675,393 0.746,394 0.826,395 1.939,396 0.678,397 1.502,398 0.985,399 2.967,400 1.048,401 0.245,402 0.295,403 0.568,404 0.168,405 1.075,406 0.714,407 2.609,408 0.732,409 -0.16,410 -0.182,411 -0.427,412 -0.122,413 0.923,414 0.433,415 2.483,416 0.512,417 -0.373,418 -0.439,419 -1.031,420 -0.327,421 14.229,422 0.508,423 0.895,424 0.032,425 33.75,426 1.205,427 16,428 0.571,429 17.75,430 0.634,431 30.092,432 1.075,433 29.571,434 0.616,435 23.693,436 0.846,437 5.979,438 0.214,439 7.384,440 0.264,441 0.218,443 0.415,447 0.685,448 1.124,449 0.582,450 0.799,451 0.665,452 0.818,453 0.535,454 1.047,455 0.607,456 0.763,457 0.367,458 0.792,459 0.879,460 0.999,461 0.884,462 0.91,463 0.818,464 0.895,465 0.788,466 0.938,467 0.881,468 0.947,469 0.702,470 0.907,471 0.746,472 1.274,473 0.998,474 1.31,475 0.886,476 1.155,477 0.878,478 1.165,479 0.895,480 1.166,481 0.854,482 1.085,483 0.609,484 1.145,485 0.662,486 0.97,487 0.589,488 1.11,489 0.726,490 1.006,491 0.689,492 0.884,493 0.855,494 1,495 6,496 0.07,497 3.333,498 2.764,499 1.887,500 1.577,501 0.838,502 0.713,503 0.611,504 0.237,505 8174,506 27187,507 2.051,508 41.7,509 6,510 6,512 1,513 1,514 4,515 2,517 1.721,518 1.867,519 3.089,520 -0.323,525 83.401,526 1.738,527 3.858,528 4.804,529 5.054,530 5.095,531 5.095,532 2.431,533 4.209,534 4.776,535 3.246,536 1226.99,537 8.368,538 15597.4,542 268.078,543 1.531,544 4.711,545 0.194,546 0.009,547 0.072,548 0.058,549 0.039,550 0.033,551 0.018,552 0.017,553 0.017,554 0.011,555 0.467,556 0.17,557 0.88,558 1.092,559 136.344,560 -0.052,561 -0.051,562 0.019,563 0.048,564 -0.059,565 0.039,566 0.117,567 0.024,568 0.109,569 0.139,570 0.213,571 0.118,572 -0.054,573 0.06,574 0.07,575 0.114,576 -0.057,577 0.067,578 -0.05,579 0.153,580 0.046,581 0.11,582 -0.049,583 0.064,584 0.011,585 -0.188,586 -0.126,587 -0.199,588 -0.069,589 -0.195,590 -0.095,591 -0.082,592 -0.132,593 -0.183,594 -0.059,595 -0.143,596 0.039,597 -0.175,598 0.003,599 -0.143,600 0.033,601 -0.155,602 0.193,603 -0.129,604 0.173,606 0.115,607 0.022,608 2.434,609 4.447,610 0.643,611 22.888,612 1.009,613 1.112,614 4.307,615 18.554,616 0.727,617 3.466,618 3.85,619 4.174,620 4.543,621 4.836,622 5.05,623 5.273,624 5.412,625 5.517,626 5.568,627 5.517,628 0.679,629 435.4,630 3.466,631 5.043,632 5.927,633 6.851,634 7.767,635 8.703,636 9.634,637 10.576,638 11.516,639 12.462,640 4.2,645 1,647 1,650 2,651 5,652 1,656 6,657 1,658 16,669 2,670 48,671 17,672 1,673 31,675 51,676 21,677 13,678 3,679 3,681 4,682 7,683 2,685 2,688 1,689 1,691 2,693 14,694 7,695 2,696 1,698 1,701 1,707 20,708 3,709 1,710 7,711 3,714 2,717 0.5,718 2,726 1,727 1,730 2,731 2,733 1,734 1,736 1,739 1,746 1,748 2,749 1,750 1,752 2,753 2,756 28,759 1,760 3,763 1,764 2,772 2,773 4.2,775 1,776 1,779 15,780 9.302,781 6,782 3.056,785 3.165,786 1.401,787 0.975,788 5.559,789 11.053,790 3.714,791 4.379,792 5.013,793 5.688,794 6.273,795 6.682,796 7.148,797 7.575,798 7.888,799 8.203,800 0.833,801 48,802 10.372,803 4.528,804 7.794,805 19.898,806 17.064,807 2.294,808 64.222,812 223.651,813 125.24,814 18.685,815 78.297,816 67.828,818 32.22,819 93.021,820 369.776,821 18.685,822 17.65,823 7.175,824 37.905,825 97.295,826 26.379,827 4.901,828 244.099,829 78.297,830 223.651,831 111.705,832 67.828,833 110.517,835 200.109,836 91.37,839 38.528,840 56.391,841 95.083,842 32.22,843 223.651,844 86.513,845 203.538,848 223.651,849 60.637,850 66.502,852 162.911,853 223.651,854 86.513,855 203.538,857 0.595,858 0.345,859 0.196,860 0.117,861 24,862 12,863 0.098,864 5,865 2,866 1.222,867 3.72,868 263.585,869 0.222,870 18,871 132.606,872 1,874 19.931,875 7.81,876 3.657,877 2.253,878 84.614,879 9.481,880 4.649,884 5.236,885 2.274,886 42.683,887 513.701,888 40,890 11.447,893 -0.767,895 48.418,896 53.375,897 0.311,898 0.691,899 0.86,900 0.905,901 0.912,902 0.912,903 4.99,904 1.503,905 5.953,906 5.403,907 4.533,908 5.066,909 3.295,910 6.849,911 4.402,912 6.232,913 1.414,914 7.565,915 3.954,916 4.29,917 5.075,918 2.243,919 7.921,920 4.07,921 7.574,922 1.205,923 9.277,924 3.524,925 6.201,926 7.354,927 5.242,928 11.093,929 5.968,930 8.953,931 1.039,932 11.05,933 3.012,934 6.758,935 8.193,936 4.112,937 13.038,938 6.45,939 10.367,940 0.746,941 12.861,942 2.658,943 8.196,944 10.008,945 7.313,946 15.767,947 7.873,948 11.808,949 0.245,950 14.702,951 1.939,952 9.118,953 11.238,954 5.889,955 18.081,956 8.736,957 13.27,958 -0.16,959 16.565,960 0.568,961 10.393,962 12.884,963 9.427,964 20.678,965 9.987,966 3.461,967 -0.373,968 18.446,969 -0.427,970 11.481,971 14.297,972 7.625,973 23.142,974 11.027,975 2.83,976 12.951,977 20.342,978 -1.031,979 12.707,980 15.882,981 11.56,982 25.704,983 12.222,984 2.825,985 9.811,986 22.25,987 4.807,988 13.87,989 17.379,990 9.342,991 28.225,992 13.341,993 2.385,994 8.385,995 24.169,996 3.87,997 15.087,998 18.946,999 13.706,1000 30.781,1001 14.522,1002 2.311,1003 7.776,1004 26.097,1005 3.483,1006 16.285,1007 20.48,1008 11.051,1009 33.325,1010 15.679,1011 2.023,1012 7.061,1013 28.033,1014 3.023,1015 17.505,1016 22.043,1017 15.858,1018 35.881,1019 16.86,1020 1.896,1021 5.9,1022 29.975,1023 2.813,1024 18.721,1025 23.595,1026 12.755,1027 38.434,1028 18.034,1029 8018,1030 14773,1031 20.115,1032 34.898,1033 48.151,1034 51.751,1035 50.395,1036 47.929,1037 47.771,1038 61.589,1039 10.582,1040 145.887,1041 44.315,1042 5.739,1043 6.604,1044 6.766,1045 5.57,1046 5.461,1047 7.807,1048 5.9,1049 20.588,1050 5.309,1051 16.718,1052 1.553,1053 1.669,1054 1.626,1055 1.546,1056 1.541,1057 1.987,1058 0.341,1059 4.706,1060 1.43,1061 4.19,1062 4.222,1063 4.258,1064 4.113,1065 7.474,1066 4.111,1067 3.877,1068 3.887,1069 4.088,1070 3.854,1071 6.351,1072 3.833,1073 3.747,1074 3.796,1075 3.656,1076 3.622,1077 5.046,1078 3.621,1079 3.536,1080 3.588,1081 3.634,1082 3.385,1083 4.959,1084 3.373,1085 3.372,1086 3.411,1087 3.409,1088 3.172,1089 4.491,1090 3.17,1091 3.144,1092 3.174,1093 3.397,1094 3.117,1095 4.452,1096 3.066,1097 2.883,1098 3.009,1099 3.244,1100 2.819,1101 4.229,1102 2.789,1103 2.874,1104 2.922,1105 3.027,1106 2.778,1107 4.127,1108 2.749,1109 0.156,1110 0.149,1111 0.234,1112 0.142,1113 0.112,1114 4.848,1115 0.155,1116 4.604,1117 0.095,1118 7.255,1119 0.418,1120 4.417,1121 0.107,1122 3.461,1123 4.807,1124 2.95,1125 12.951,1126 3.309,1127 1.939,1128 1.917,1129 2.03,1130 2.043,1131 1.309,1132 2.042,1133 1.856,1134 1.841,1135 1.897,1136 1.903,1137 1.214,1138 1.927,1139 1.696,1140 1.661,1141 1.884,1142 1.848,1143 1.067,1144 1.856,1145 1.589,1146 1.524,1147 1.802,1148 1.781,1149 1.019,1150 1.796,1151 1.423,1152 1.368,1153 1.622,1154 1.597,1155 0.85,1156 1.619,1157 1.195,1158 1.175,1159 1.417,1160 1.444,1161 0.541,1162 1.409,1163 0.934,1164 0.893,1165 1.332,1166 1.239,1167 0.469,1168 1.308,1169 0.92,1170 0.824,1171 1.104,1172 1.075,1173 0.244,1174 1.102,1175 4.143,1177 5.509,1178 3.045,1179 7.062,1180 5.533,1181 8.713,1182 7.758,1183 10.423,1185 4.264,1186 12.306,1189 9.404,1190 1.8,1193 1.618,1194 0.257,1199 32.583,1200 83.401,1201 185.166,1202 230.568,1203 242.568,1204 244.568,1205 244.568,1206 53.159,1207 7.888,1208 55.12,1209 80.42,1210 22,1211 12.955,1212 4.17,1213 3.322,1214 41.91,1215 87,1216 104,1217 0.231,1218 208.595,1219 357.11,1220 500.731,1221 26469,1222 4.2,1223 19.999,1224 0.714,1225 0.639,1226 21.353,1227 17.905,1228 13.363,1229 0.431,1230 0.348,1231 9.282,1232 12.033,1233 8.861,1234 7.289,1235 14.349,1236 10.794,1237 12.821,1238 0.279,1239 0.202,1240 14.205,1241 9.271,1242 10.455,1243 0.163,1244 0.11,1245 12.13,1246 7.012,1247 9.221,1248 0.099,1249 0.06,1250 10.669,1251 5.586,1252 7.822,1253 0.063,1254 0.035,1255 9.45,1256 4.38,1257 0.344,1258 92.758,1259 0.223,1260 25.815,1261 0.693,1262 154,1263 432.443,1264 219.558,1265 501.901,1266 666.7,1267 466,1268 187,1269 430.121,1270 246.211,1271 470.98,1272 698.99,1273 445,1274 4.59}
{0 CHEMBL489310,1 1.985,2 13.857,3 6.457,4 41.689,5 130.54,6 10.537,7 0.579,8 4.068,9 4.13,10 4.025,11 3.716,12 5.331,13 3.703,14 4.567,15 4.657,16 4.387,17 4.089,18 6.069,19 4.079,20 4.818,21 4.928,22 4.564,23 4.213,24 6.328,25 4.184,26 4.841,27 4.973,28 4.386,29 4.122,30 6.35,31 4.101,32 4.758,33 4.903,34 4.261,35 4.057,36 6.272,37 4.031,38 4.769,39 4.926,40 4.252,41 4.085,42 6.255,43 4.04,44 4.74,45 4.899,46 4.326,47 4.099,48 6.167,49 4.037,50 4.74,51 4.893,52 4.353,53 4.052,54 6.187,55 3.986,56 0.258,57 0.815,58 5.395,59 4.629,60 35.841,61 4.005,62 0.648,63 1.287,64 10.191,65 7.533,66 74.546,67 6.965,68 1.132,69 1.714,70 25.603,71 11.075,72 151.182,73 9.266,74 1.245,75 1.57,76 26.651,77 11.202,78 181.543,79 9.678,80 1.138,81 1.474,82 21.385,83 10.071,84 160.991,85 9.588,86 1.148,87 1.459,88 19.186,89 10.038,90 164.668,91 10.252,92 0.941,93 1.396,94 21.828,95 10.263,96 121.484,97 10.984,98 1.092,99 1.325,100 23.35,101 10.067,102 145.708,103 9.445,104 65,105 56,106 0.325,107 0.639,108 0.777,109 0.888,110 0.907,111 0.907,112 3.588,113 0.963,114 -5.17,115 -5.06,116 -4.74,118 47.1,123 1,129 2,133 9,134 2,135 7,141 1,142 1,145 1,154 7,157 1,158 8,160 3,162 1,164 9,167 10,170 3,171 10,174 3,175 10,179 2,180 8,184 7,189 1,192 11,195 1,196 5,198 1,202 12,205 1,206 5,208 1,210 2,211 11,214 2,215 2,219 1,222 8,225 2,226 9,230 2,233 4,236 2373,237 22.695,238 22.695,239 22.695,240 22.695,241 22.695,242 19.32,243 19.702,244 12.897,245 23.388,246 18.689,247 18.689,248 18.689,249 18.689,250 18.689,251 13.52,252 17.838,253 6.094,254 20.03,255 3.687,256 1.771,257 0.927,258 0.25,259 0.132,260 0.132,261 4.274,262 2,266 1,267 1035,268 4.301,270 84.689,271 343.249,274 158.607,277 1.984,278 65.678,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 78.667,289 485,290 4.861,291 4.69,292 7.311,293 4.318,294 3.398,295 4.713,296 0.98,297 12.521,298 3.173,299 4.71,300 3.432,301 6.922,302 4.236,303 3.266,304 4.693,305 0.86,306 11.659,307 3.097,308 4.218,309 3.381,310 5.96,311 3.728,312 2.832,313 3.872,315 8.388,316 2.518,317 4.107,318 3.291,319 5.898,320 3.643,321 2.71,322 3.718,324 8.064,325 2.504,326 3.747,327 3.249,328 5.695,329 3.315,330 2.411,331 3.167,333 7.482,334 2.278,335 3.724,336 2.832,337 5.346,338 3.288,339 2.294,340 3.052,342 6.607,343 2.139,344 3.431,345 2.276,346 5.153,347 3.009,348 2.054,349 2.741,351 6.102,352 1.979,353 3.375,354 2.135,355 5.039,356 2.926,357 1.967,358 2.679,360 5.77,361 1.768,362 3.081,363 2.117,364 4.601,365 2.548,366 1.566,367 2.294,369 4.59,370 1.524,371 2.82,372 2.076,373 4.408,374 2.352,375 1.414,376 1.949,378 3.833,379 1.31,380 2.819,381 1.74,382 4.041,383 2.307,384 1.414,385 1.947,387 3.52,388 1.245,389 2.727,390 1.494,391 4.04,392 2.268,393 1.323,394 1.812,395 3.513,396 1.219,397 2.714,398 1.259,399 3.724,400 2.222,401 1.225,402 1.764,403 2.858,404 1.196,405 2.243,406 0.895,407 3.302,408 1.541,409 0.555,410 0.857,411 1.349,412 0.541,413 1.566,414 0.825,415 3.069,416 1.129,417 0.292,418 0.358,419 0.686,420 0.213,421 16.967,422 0.485,423 1.211,424 0.035,425 48.75,426 1.393,427 26.5,428 0.757,429 22.25,430 0.636,431 28.449,432 0.813,433 37.033,434 0.726,435 43.779,436 1.251,437 9.855,438 0.282,439 6.691,440 0.191,441 0.206,442 0.049,443 0.348,445 2,447 0.564,448 0.997,449 0.595,450 1.022,451 0.597,452 0.793,453 0.677,454 0.942,455 0.674,456 0.858,457 0.576,458 0.813,459 1.04,460 0.996,461 0.961,462 1.057,463 0.915,464 1.012,465 1.022,466 0.917,467 0.987,468 1.056,469 0.962,470 1.06,471 0.751,472 0.815,473 0.712,474 0.948,475 0.747,476 1.033,477 0.73,478 0.727,479 0.636,480 0.754,481 0.753,482 0.949,483 0.608,484 0.867,485 0.791,486 0.945,487 0.611,488 1.001,489 0.908,490 0.782,491 1.018,492 0.887,493 0.964,494 0.999,495 9.5,496 0.263,497 5.333,498 3.479,499 2.285,500 1.184,501 1.034,502 0.658,503 0.693,504 0.401,505 18221,506 76777,507 2.001,508 31.4,510 14,511 1,513 1,517 1.767,518 1.818,519 3.725,520 -0.288,525 101.255,526 1.985,527 3.902,528 4.745,529 5.422,530 5.54,531 5.54,532 3.198,533 4.822,534 5.102,535 3.905,536 2323.62,537 8.957,538 36805.5,542 289.294,543 1.691,544 5.023,545 0.25,546 0.008,547 0.095,548 0.06,549 0.044,550 0.025,551 0.022,552 0.014,553 0.016,554 0.01,555 0.542,556 0.17,557 0.88,558 0.633,559 190.391,560 0.006,561 -0.087,562 0.079,563 -0.09,564 -0.093,565 0.01,566 0.055,567 -0.029,568 0.02,569 0.02,570 0.108,571 0.015,572 -0.08,573 -0.025,574 -0.028,575 -0.065,576 -0.014,577 -0.093,578 -0.062,579 -0.042,580 -0.117,581 -0.099,582 -0.016,583 -0.109,584 0.099,585 0.029,586 0.01,587 -0.056,588 0.101,589 -0.062,590 0.097,591 0.105,592 0.071,593 0.119,594 0.085,595 0.044,596 0.121,597 -0.063,598 0.099,599 0.003,600 0.121,601 0.034,602 -0.034,603 0.025,604 0.014,605 0.085,606 -0.055,607 0.013,608 5.324,609 5.409,610 0.6,611 38.137,612 1.043,613 1.119,614 3.938,615 15.508,616 0.744,617 3.664,618 4.043,619 4.29,620 4.533,621 4.745,622 4.787,623 4.883,624 4.97,625 5.056,626 5.13,627 8.007,628 0.73,629 537.39,630 3.664,631 5.242,632 6.098,633 6.997,634 7.872,635 8.772,636 9.655,637 10.555,638 11.443,639 12.344,640 3.9,644 1,645 1,650 2,651 10,656 8,657 1,658 22,668 1,669 4,670 51,671 26,672 3,673 38,675 54,676 24,677 20,678 9,679 9,680 3,681 4,682 5,683 2,693 23,694 1,696 4,697 1,698 3,699 2,701 1,705 2,707 16,708 7,709 1,710 11,711 3,714 2,717 0.75,718 4,727 1,730 1,731 3,734 1,741 2,748 3,750 1,752 1,753 2,754 2,756 35,758 1,761 1,762 1,772 4,773 7.8,776 3,778 1,779 19.25,780 9.605,781 7.458,782 2.737,785 4.65,786 1.577,787 1.012,788 7.198,789 12.713,790 3.989,791 4.684,792 5.258,793 5.847,794 6.384,795 6.671,796 7.041,797 7.412,798 7.713,799 8.084,800 1,801 58,802 13.459,803 6.441,804 8.313,805 23.459,806 19.35,807 2.813,808 98.472,812 176.567,813 177.378,814 18.304,815 78.297,816 80.458,817 29.92,818 5.807,819 171.571,820 335.322,821 48.224,822 8.396,823 16.405,824 119.094,825 74.163,826 55.938,827 43.835,828 164.795,829 78.297,830 176.567,831 189.875,832 110.378,833 84.105,835 206.487,836 80.458,839 18.304,840 152.618,841 103.057,843 206.487,844 98.762,845 255.675,847 5.807,848 176.567,849 49.888,850 123.582,851 16.405,852 188.675,853 176.567,854 128.682,855 255.675,857 0.602,858 0.35,859 0.176,860 0.097,861 27,862 14,863 0.111,864 6,865 1,866 1.095,867 4.421,868 330.823,869 0.095,870 21,871 175.525,873 1,874 25.204,875 9.996,876 5.517,877 1.45,878 126.783,879 13.946,884 -0.948,885 1.812,886 16.405,887 560.924,888 53,889 -4.408,890 37.022,891 2.433,893 -0.977,895 53.214,896 57.058,897 0.35,898 0.688,899 0.837,900 0.956,901 0.977,902 0.977,903 5.25,904 1.967,905 6.142,906 6.102,907 4.727,908 5.373,909 1.481,910 7.011,911 4.594,912 6.527,913 1.566,914 7.752,915 5.77,916 4.575,917 5.509,919 8.181,920 4.316,921 7.893,922 1.414,923 9.469,924 4.59,925 6.425,926 7.743,927 1.37,928 11.236,929 6.166,930 9.298,931 1.414,932 11.248,933 3.833,934 7.04,935 8.665,937 13.234,938 6.654,939 10.734,940 1.323,941 13.07,942 3.52,943 8.444,944 10.448,945 1.275,946 15.891,947 8.051,948 12.195,949 1.225,950 14.922,951 3.513,952 9.39,953 11.715,955 18.211,956 8.89,957 13.676,958 0.555,959 16.798,960 2.858,961 10.645,962 13.34,963 1.193,964 20.755,965 10.118,966 3.398,967 0.292,968 18.692,969 1.349,970 11.734,971 14.76,973 23.193,974 11.12,975 3.266,976 12.521,977 20.601,978 0.686,979 12.941,980 16.328,981 1.123,982 25.708,983 12.286,984 2.832,985 11.659,986 22.523,987 4.713,988 14.091,989 17.816,991 28.189,992 13.363,993 2.71,994 8.388,995 24.454,996 4.693,997 15.287,998 19.364,999 1.062,1000 30.697,1001 14.508,1002 2.411,1003 8.064,1004 26.394,1005 3.872,1006 16.465,1007 20.883,1009 33.195,1010 15.619,1011 2.294,1012 7.482,1013 28.34,1014 3.718,1015 17.662,1016 22.427,1017 1.01,1018 35.703,1019 16.759,1020 2.054,1021 6.607,1022 30.292,1023 3.167,1024 18.853,1025 23.959,1027 38.209,1028 17.887,1029 17548,1030 36267,1031 24.274,1032 37.92,1033 58.444,1034 61.214,1035 60.598,1036 57.85,1037 57.644,1038 79.476,1039 3.68,1040 174.322,1041 53.574,1042 5.705,1043 6.69,1044 6.83,1045 5.401,1046 5.398,1047 7.713,1048 1.96,1049 19.91,1050 5.173,1051 22.761,1052 1.538,1053 1.611,1054 1.595,1055 1.522,1056 1.517,1057 2.091,1058 0.097,1059 4.587,1060 1.41,1061 4.158,1062 4.182,1063 4.737,1064 4.085,1065 8.24,1066 4.079,1067 4.065,1068 4.044,1069 4.144,1070 4.033,1071 8.161,1072 3.963,1073 3.885,1074 3.895,1075 4.074,1076 3.836,1077 7.718,1078 3.827,1079 3.702,1080 3.711,1081 3.767,1082 3.574,1083 7.428,1084 3.554,1085 3.518,1086 3.536,1087 3.511,1088 3.432,1089 6.999,1090 3.401,1091 3.408,1092 3.444,1093 3.408,1094 3.226,1095 5.085,1096 3.232,1097 3.083,1098 3.111,1099 3.378,1100 2.926,1101 4.941,1102 2.935,1103 2.967,1104 2.989,1105 3.243,1106 2.817,1107 4.552,1108 2.803,1109 0.128,1110 0.123,1111 0.192,1112 0.114,1113 0.089,1114 4.861,1115 0.124,1116 4.69,1117 0.026,1118 7.311,1119 0.329,1120 4.318,1121 0.084,1122 3.398,1123 4.713,1124 0.98,1125 12.521,1126 3.173,1127 1.955,1128 1.96,1129 2.021,1130 2.044,1131 1.177,1132 2.055,1133 1.939,1134 1.934,1135 1.932,1136 2.024,1137 1.139,1138 2.033,1139 1.837,1140 1.823,1141 1.895,1142 1.909,1143 1.026,1144 1.917,1145 1.691,1146 1.654,1147 1.825,1148 1.849,1149 0.912,1150 1.845,1151 1.487,1152 1.486,1153 1.626,1154 1.7,1155 0.67,1156 1.698,1157 1.317,1158 1.291,1159 1.312,1160 1.491,1161 0.524,1162 1.521,1163 1.036,1164 1.006,1165 1.133,1166 1.223,1167 0.296,1168 1.229,1169 0.885,1170 0.877,1171 1.11,1172 1.078,1173 0.177,1174 1.08,1175 4.344,1177 5.707,1178 2.398,1179 7.251,1180 4.844,1181 8.877,1182 7.034,1183 10.547,1185 1.802,1186 12.033,1187 26.511,1191 1.802,1192 5.995,1199 37.252,1200 101.255,1201 198.99,1202 242.009,1203 276.539,1204 282.539,1205 282.539,1206 104.945,1207 8.063,1208 77.4,1209 85.78,1210 23,1211 12.868,1212 4.755,1213 4,1214 59.555,1215 167,1216 168,1217 0.17,1218 236.051,1219 417.27,1220 567.724,1221 40527,1222 7.8,1223 25.328,1224 0.724,1225 0.579,1226 24.837,1227 20.257,1228 16.547,1229 0.435,1230 0.321,1231 9.982,1232 14.53,1233 9.59,1234 7.895,1235 17.14,1236 12.197,1237 16.114,1238 0.288,1239 0.177,1240 17.027,1241 9.899,1242 13.052,1243 0.181,1244 0.098,1245 14.108,1246 7.059,1247 10.367,1248 0.113,1249 0.05,1250 11.472,1251 4.605,1252 8.317,1253 0.073,1254 0.027,1255 8.905,1256 3.065,1257 0.27,1258 119.008,1259 0.203,1260 32.335,1261 0.455,1262 188,1263 770.41,1264 278.112,1265 766.78,1266 990.8,1267 702,1268 222,1269 636.221,1270 316.814,1271 685.467,1272 1002.43,1273 641,1274 5.62}
{0 CHEMBL517377,1 1.854,2 13.143,3 4.429,4 19.612,5 139.612,6 9.416,7 0.289,8 4.183,9 4.26,10 4.08,11 3.834,12 5.276,13 3.773,14 4.754,15 4.882,16 4.537,17 4.274,18 6.029,19 4.186,20 5.016,21 5.16,22 4.663,23 4.415,24 6.189,25 4.315,26 5.142,27 5.343,28 4.48,29 4.386,30 6.366,31 4.285,32 5.126,33 5.32,34 4.473,35 4.346,36 6.398,37 4.254,38 5.092,39 5.314,40 4.251,41 4.3,42 6.189,43 4.186,44 5.003,45 5.195,46 4.399,47 4.261,48 6.231,49 4.172,50 5.03,51 5.216,52 4.314,53 4.255,54 6.271,55 4.13,56 0.152,57 0.821,58 10.523,59 6.009,60 22.343,61 6.386,62 0.599,63 1.372,64 28.311,65 11.373,66 70.58,67 12.014,68 0.678,69 1.72,70 41.03,71 14.635,72 84.136,73 15.465,74 0.935,75 1.927,76 46.575,77 15.925,78 141.555,79 18.26,80 1.103,81 1.801,82 41.854,83 15.526,84 137.949,85 18.036,86 0.877,87 1.76,88 42.845,89 15.686,90 123.132,91 18.697,92 0.824,93 1.663,94 37.719,95 14.156,96 107.737,97 16.203,98 1.071,99 1.68,100 39.174,101 14.51,102 152.82,103 15.301,104 66,105 57,106 0.299,107 0.656,108 0.831,109 0.89,110 0.89,111 0.89,112 3.589,113 1.101,114 -4.43,115 -4.36,116 -4.11,118 40.7,119 1,120 4,122 1,123 1,124 1,129 2,130 1,132 1,133 5,134 1,135 2,143 2,145 2,154 12,157 2,158 8,160 3,162 1,164 16,167 14,170 3,171 14,174 2,175 11,179 1,180 10,183 1,184 15,189 3,192 15,195 1,196 6,198 1,200 2,202 15,205 1,206 11,210 3,211 15,214 3,215 9,217 1,219 1,222 10,226 12,230 2,233 8,236 2372,237 22.728,238 22.728,239 22.728,240 22.728,241 22.728,242 20.406,243 27.941,244 12.868,245 23.574,246 18.653,247 18.653,248 18.653,249 18.653,250 18.653,251 14.826,252 34.577,253 6,254 20.115,255 4.029,256 1.818,257 0.731,258 0.365,259 0.365,260 0.365,261 4.273,262 1,263 1,266 1,267 979,268 4.637,270 190.271,271 216.561,274 156.617,277 1.984,278 55.676,280 0.75,281 0.83,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.78,288 76.667,289 460,290 4.872,291 4.694,292 7.694,293 4.59,294 3.604,295 4.729,296 1.946,297 14.225,298 3.553,299 4.749,300 4.026,301 7.318,302 4.306,303 3.413,304 4.042,305 0.98,306 12.555,307 3.044,308 4.123,309 3.431,310 6.16,311 3.702,312 2.728,313 3.74,314 0.86,315 8.89,316 2.657,317 4.074,318 3.347,319 5.933,320 3.556,321 2.716,322 3.667,323 0.827,324 8.222,325 2.45,326 3.793,327 3.267,328 5.708,329 3.449,330 2.477,331 3.038,332 0.359,333 7.721,334 2.363,335 3.651,336 2.956,337 5.538,338 3.399,339 2.412,340 2.798,342 7.281,343 2.219,344 3.525,345 2.655,346 5.113,347 3.147,348 2.142,349 2.667,351 5.958,352 2.063,353 3.318,354 2.489,355 4.945,356 2.963,357 1.997,358 2.534,360 5.734,361 1.915,362 2.844,363 2.117,364 4.654,365 2.449,366 1.448,367 1.94,369 4.197,370 1.441,371 2.717,372 1.986,373 4.497,374 2.246,375 1.362,376 1.781,378 3.998,379 1.229,380 2.629,381 1.642,382 4,383 2.222,384 1.247,385 1.635,387 3.27,388 1.131,389 2.601,390 1.375,391 3.922,392 2.098,393 1.244,394 1.585,395 2.783,396 1.075,397 2.389,398 1.254,399 3.503,400 1.955,401 1.108,402 1.271,403 2.584,404 0.811,405 2.096,406 0.953,407 3.338,408 1.569,409 0.573,410 0.806,411 1.439,412 0.567,413 1.584,414 0.935,415 3.173,416 1.294,417 0.429,418 0.481,419 0.626,420 0.368,421 17.562,422 0.502,423 1.238,424 0.035,425 41.5,426 1.186,427 19.5,428 0.557,429 22,430 0.629,431 38.537,432 1.101,433 38.238,434 0.648,435 34.804,436 0.994,437 7.596,438 0.217,439 8.923,440 0.255,441 0.214,442 0.076,443 0.279,447 0.558,448 1.243,449 0.643,450 1.022,451 0.58,452 0.876,453 0.617,454 0.965,455 0.571,456 0.736,457 0.507,458 0.792,459 0.866,460 1.269,461 0.759,462 1.068,463 0.903,464 1.079,465 0.785,466 1.027,467 0.576,468 0.817,469 0.768,470 0.95,471 0.724,472 0.987,473 0.62,474 0.896,475 0.838,476 1.006,477 0.862,478 0.83,479 0.627,480 0.726,481 1.039,482 0.868,483 0.737,484 1.062,485 0.654,486 0.921,487 0.813,488 0.928,489 1.161,490 0.89,491 0.875,492 0.86,493 1.247,494 0.998,495 10.5,496 0.283,497 5.333,498 4.111,499 2.642,500 1.261,501 0.986,502 0.759,503 0.574,504 0.406,505 17578,506 63016,507 1.994,508 40.7,509 9,510 12,513 1,514 2,517 1.769,518 1.81,519 3.645,520 -0.288,525 109.388,526 1.854,527 4.065,528 5.152,529 5.518,530 5.518,531 5.518,532 3.086,533 4.822,534 5.101,535 3.848,536 2289.76,537 8.965,538 35733.7,542 347.076,543 1.763,544 5.017,545 0.276,546 0.008,547 0.094,548 0.071,549 0.048,550 0.024,551 0.021,552 0.015,553 0.013,554 0.009,555 0.579,556 0.17,557 0.88,558 0.78,559 189.306,560 0.033,561 -0.104,562 0.093,563 -0.043,564 -0.076,565 0.022,566 0.167,567 0.118,568 0.196,569 0.198,570 0.183,571 0.125,572 -0.024,573 -0.239,574 0.086,575 -0.12,576 -0.058,577 -0.135,578 0.043,579 -0.02,580 0.104,581 0.022,582 0.115,583 0.003,584 0.166,585 -0.041,586 0.106,587 -0.066,588 0.111,589 -0.041,590 -0.021,591 0.102,592 0.083,593 0.116,594 -0.082,595 0.128,596 0.121,597 -0.072,598 0.106,599 -0.028,600 0.077,601 0.043,602 -0.091,603 0.118,604 -0.061,605 0.071,606 -0.094,607 -0.051,608 5.021,609 6.02,610 0.571,611 37.936,612 1.021,613 1.114,614 3.202,615 10.251,616 0.719,617 3.664,618 4.06,619 4.317,620 4.605,621 4.787,622 4.812,623 4.898,624 5.024,625 5.106,626 5.147,627 7.739,628 0.677,629 555.54,630 3.664,631 5.252,632 6.116,633 7.034,634 7.921,635 8.843,636 9.74,637 10.664,638 11.568,639 12.493,640 3.4,644 2,651 5,655 1,656 5,658 11,668 1,669 2,670 59,671 17,672 1,673 38,675 62,676 24,677 10,678 2,679 4,680 5,681 4,682 5,683 2,685 1,686 1,687 1,688 4,691 4,693 16,694 8,696 6,697 1,698 4,699 2,701 4,707 24,708 7,709 1,710 11,711 4,714 2,717 0.75,718 5,730 2,731 2,734 1,738 1,741 3,742 1,748 3,750 2,752 2,753 2,756 35,758 1,760 5,761 1,762 1,765 1,766 1,769 1,772 2,773 8.5,776 4,778 1,779 19.333,780 11.236,781 7.486,782 3.41,785 2.6,786 1.324,787 0.971,788 7.794,789 10.636,790 3.922,791 4.541,792 5.011,793 5.508,794 5.891,795 6.021,796 6.159,797 6.446,798 6.737,799 6.944,800 0.889,801 58,802 13.387,803 6.231,804 8.035,805 24.468,806 20.806,807 2.535,808 88.722,812 270.735,813 164.326,814 19.529,815 78.297,816 105.603,818 37.085,819 127.24,820 454.635,821 19.529,822 19.708,823 31.773,824 72.141,825 106.769,826 27.789,827 39.149,828 302.013,829 39.149,830 270.735,831 146.77,832 105.603,833 115.382,835 270.735,836 105.603,839 42.272,840 82.789,841 66.665,842 70.426,843 270.735,844 125.132,845 242.623,847 5.807,848 270.735,849 72.476,850 89.166,851 16.405,852 183.9,853 270.735,854 125.132,855 242.623,857 0.601,858 0.352,859 0.186,860 0.102,861 28,862 14,863 0.113,864 7,865 1,866 1.1,867 4.364,868 336.248,869 0.1,870 20,871 177.525,872 1,873 1,874 26.364,875 10.347,876 5.672,878 125.132,879 8.752,883 0.77,884 1.731,886 16.405,887 638.49,888 49.5,889 -4.104,890 50.501,891 2.804,893 0.967,895 60.244,896 65.754,897 0.315,898 0.691,899 0.876,900 0.938,901 0.938,902 0.938,903 5.219,904 1.997,905 6.184,906 5.958,907 4.745,908 5.228,909 2.499,910 7.104,911 4.621,912 6.482,913 1.448,914 7.825,915 5.734,916 4.691,917 5.387,918 1.668,919 8.479,920 4.502,921 7.855,922 1.362,923 9.582,924 4.197,925 6.515,926 7.503,927 3.152,928 11.549,929 6.296,930 9.266,931 1.247,932 11.409,933 3.998,934 7.238,935 8.438,936 3.145,937 13.748,938 6.958,939 10.71,940 1.244,941 13.285,942 3.27,943 8.642,944 10.134,945 4.196,946 16.474,947 8.337,948 12.179,949 1.108,950 15.195,951 2.783,952 9.683,953 11.395,954 4.56,955 18.96,956 9.333,957 13.667,958 0.573,959 17.131,960 2.584,961 10.966,962 12.96,963 5.416,964 21.607,965 10.594,966 3.604,967 0.429,968 19.086,969 1.439,970 12.136,971 14.365,972 5.938,973 24.188,974 11.734,975 3.413,976 14.225,977 21.057,978 0.626,979 13.39,980 15.894,981 6.701,982 26.821,983 12.969,984 2.728,985 12.555,986 23.039,987 4.729,988 14.612,989 17.365,990 7.295,991 29.436,992 14.171,993 2.716,994 8.89,995 25.031,996 4.042,997 15.864,998 18.889,999 8.011,1000 32.068,1001 15.408,1002 2.477,1003 8.222,1004 27.03,1005 3.74,1006 17.109,1007 20.393,1008 8.64,1009 34.697,1010 16.639,1011 2.412,1012 7.721,1013 29.036,1014 3.667,1015 18.365,1016 21.921,1017 9.332,1018 37.333,1019 17.883,1020 2.142,1021 7.281,1022 31.045,1023 3.038,1024 19.621,1025 23.444,1026 9.979,1027 39.969,1028 19.128,1029 16988,1030 32675,1031 24.156,1032 42.432,1033 58.853,1034 61.556,1035 60.993,1036 58.069,1037 57.897,1038 73.54,1039 9.942,1040 179.245,1041 53.867,1042 5.837,1043 6.694,1044 7.287,1045 5.761,1046 5.604,1047 7.729,1048 3.356,1049 22.255,1050 5.553,1051 22.517,1052 1.549,1053 1.62,1054 1.605,1055 1.528,1056 1.524,1057 1.935,1058 0.262,1059 4.717,1060 1.418,1061 4.087,1062 4.097,1063 4.797,1064 4.119,1065 7.718,1066 3.998,1067 4.022,1068 3.995,1069 4.226,1070 3.953,1071 7.43,1072 3.938,1073 3.888,1074 3.913,1075 3.988,1076 3.821,1077 7.426,1078 3.817,1079 3.653,1080 3.661,1081 3.823,1082 3.59,1083 6.999,1084 3.533,1085 3.509,1086 3.535,1087 3.516,1088 3.415,1089 5.011,1090 3.37,1091 3.423,1092 3.44,1093 3.451,1094 3.263,1095 4.865,1096 3.258,1097 3.281,1098 3.337,1099 3.331,1100 3.078,1101 4.55,1102 3.074,1103 3.19,1104 3.261,1105 3.161,1106 2.951,1107 4.467,1108 2.956,1109 0.128,1110 0.124,1111 0.202,1112 0.121,1113 0.095,1114 4.872,1115 0.124,1116 4.694,1117 0.051,1118 7.694,1119 0.374,1120 4.59,1121 0.093,1122 3.604,1123 4.729,1124 1.946,1125 14.225,1126 3.553,1127 1.939,1128 1.91,1129 2.085,1130 2.043,1131 1.455,1132 2.057,1133 1.891,1134 1.866,1135 2.015,1136 1.99,1137 1.164,1138 2,1139 1.753,1140 1.803,1141 1.762,1142 1.866,1143 0.99,1144 1.912,1145 1.563,1146 1.532,1147 1.636,1148 1.735,1149 0.948,1150 1.734,1151 1.418,1152 1.41,1153 1.593,1154 1.585,1155 0.783,1156 1.593,1157 1.367,1158 1.364,1159 1.53,1160 1.528,1161 0.695,1162 1.556,1163 1.295,1164 1.223,1165 1.495,1166 1.473,1167 0.57,1168 1.5,1169 1.186,1170 1.112,1171 1.362,1172 1.399,1173 0.548,1174 1.44,1175 4.344,1177 5.72,1178 3.045,1179 7.276,1180 5.533,1181 8.917,1182 7.727,1183 10.608,1185 3.657,1186 11.692,1190 3.189,1191 2.017,1192 5.304,1195 1.776,1196 -0.332,1199 39.968,1200 109.388,1201 239.815,1202 303.957,1203 325.566,1204 325.566,1205 325.566,1206 104.895,1207 8.037,1208 92.78,1209 129.4,1210 22,1211 13.002,1212 4.17,1213 3.644,1214 59.473,1215 160,1216 161,1217 0.177,1218 257.564,1219 462.15,1220 620.216,1221 38068,1222 3.4,1223 25.38,1224 0.725,1225 0.637,1226 26.984,1227 22.283,1228 16.52,1229 0.435,1230 0.367,1231 11.012,1232 14.384,1233 10.415,1234 8.59,1235 18.327,1236 13.945,1237 16.218,1238 0.285,1239 0.224,1240 19.099,1241 12.757,1242 12.984,1243 0.175,1244 0.134,1245 16.154,1246 9.882,1247 10.866,1248 0.11,1249 0.076,1250 13.511,1251 7.479,1252 8.519,1253 0.072,1254 0.046,1255 11.34,1256 5.533,1257 0.279,1258 121.952,1259 0.203,1260 32.149,1261 0.481,1262 190,1263 622.783,1264 311.724,1265 693.7,1266 902.97,1267 636,1268 226,1269 555.911,1270 342.688,1271 635.721,1272 931.95,1273 591,1274 5.215}
{0 CHEMBL521609,1 1.744,2 14.541,3 6.036,4 36.437,5 137.38,6 9.098,7 0.659,8 4.17,9 4.245,10 4.015,11 3.81,12 5.392,13 3.795,14 4.67,15 4.774,16 4.347,17 4.186,18 6.102,19 4.172,20 4.924,21 5.058,22 4.443,23 4.306,24 6.333,25 4.275,26 4.969,27 5.122,28 4.362,29 4.248,30 6.386,31 4.213,32 4.898,33 5.066,34 4.254,35 4.164,36 6.323,37 4.124,38 4.861,39 5.032,40 4.21,41 4.137,42 6.288,43 4.094,44 4.802,45 4.97,46 4.236,47 4.157,48 6.17,49 4.102,50 4.839,51 5.005,52 4.237,53 4.164,54 6.193,55 4.105,56 0.167,57 0.899,58 9.684,59 5.447,60 23.903,61 5.244,62 0.494,63 1.445,64 15.849,65 8.784,66 57.506,67 8.909,68 0.816,69 1.956,70 26.382,71 12.335,72 118.023,73 11.818,74 0.945,75 1.836,76 29.806,77 12.699,78 149.713,79 12.604,80 0.956,81 1.693,82 27.895,83 11.756,84 142.456,85 12.419,86 1.017,87 1.609,88 25.746,89 11.077,90 147.863,91 11.909,92 0.718,93 1.55,94 24.245,95 10.775,96 93.281,97 12.116,98 0.817,99 1.588,100 24.802,101 10.877,102 114.506,103 11.386,104 37,105 60,106 0.277,107 0.56,108 0.719,109 0.853,110 0.886,111 0.902,112 3.642,113 0.925,114 -5.43,115 -5.31,116 -4.96,118 49.1,123 1,129 2,133 13,134 4,135 5,141 1,142 1,145 1,154 15,157 1,158 8,160 3,162 1,164 18,167 11,170 3,171 15,174 3,175 11,179 2,180 11,184 8,189 1,192 14,195 1,196 6,198 1,202 16,205 1,206 6,208 1,210 2,211 17,214 2,215 3,219 1,222 15,225 2,226 10,230 2,233 9,236 2798,237 24.557,238 24.557,239 24.557,240 24.557,241 24.557,242 20.744,243 17.535,244 14.138,245 25.016,246 20.226,247 20.226,248 20.226,249 20.226,250 20.226,251 14.373,252 16.068,253 6.706,254 21.05,255 4.088,256 2.309,257 1.305,258 0.461,259 0.259,260 0.154,261 4.344,267 1177,268 4.301,270 86.498,271 434.76,274 161.17,275 167.098,277 2.202,278 59.107,280 0.5,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.61,288 82,289 538,290 4.861,291 4.69,292 7.311,293 4.318,294 3.398,295 4.713,296 0.98,297 12.521,298 3.174,299 4.711,300 3.431,301 6.922,302 4.237,303 3.266,304 4.694,305 0.86,306 11.659,307 3.097,308 4.406,309 3.358,310 6.185,311 3.914,312 2.923,313 4.336,315 9.236,316 2.9,317 4.107,318 3.249,319 5.898,320 3.643,321 2.71,322 3.718,324 8.064,325 2.517,326 3.795,327 3.008,328 5.707,329 3.377,330 2.449,331 3.232,333 7.614,334 2.289,335 3.724,336 2.713,337 5.364,338 3.294,339 2.294,340 3.055,342 6.677,343 2.243,344 3.505,345 2.239,346 5.163,347 3.051,348 2.09,349 2.912,351 6.18,352 2.001,353 3.391,354 2.118,355 5.056,356 2.973,357 1.98,358 2.684,360 5.812,361 1.956,362 3.118,363 2.08,364 4.602,365 2.618,366 1.618,367 2.427,369 4.59,370 1.618,371 3.081,372 1.74,373 4.441,374 2.548,375 1.566,376 2.294,378 4.37,379 1.524,380 2.899,381 1.618,382 4.381,383 2.411,384 1.423,385 2.09,387 3.835,388 1.404,389 2.819,390 1.515,391 4.04,392 2.352,393 1.414,394 1.947,395 3.513,396 1.31,397 2.727,398 1.391,399 3.724,400 2.262,401 1.306,402 1.811,403 2.999,404 1.242,405 2.712,406 1.259,407 3.617,408 2.222,409 1.225,410 1.763,411 2.855,412 1.219,413 2.252,414 0.878,415 3.303,416 1.699,417 0.706,418 1.043,419 1.641,420 0.7,421 17.538,422 0.474,423 1.136,424 0.031,425 53.75,426 1.453,427 30.5,428 0.824,429 23.25,430 0.628,431 27.781,432 0.751,433 38.262,434 0.671,435 48.229,436 1.303,437 10.901,438 0.295,439 6.807,440 0.184,441 0.118,442 0.048,443 0.336,445 2,447 0.537,448 0.963,449 0.709,450 1.078,451 0.578,452 0.833,453 0.639,454 0.921,455 0.788,456 0.941,457 0.553,458 0.879,459 0.981,460 0.976,461 1.032,462 1.088,463 0.865,464 1.023,465 0.979,466 0.929,467 1.048,468 1.071,469 0.901,470 1.068,471 0.819,472 0.815,473 0.888,474 0.975,475 0.726,476 1.021,477 0.843,478 0.706,479 0.832,480 0.792,481 0.772,482 0.925,483 0.599,484 0.846,485 0.843,486 0.97,487 0.603,488 0.979,489 0.809,490 0.792,491 0.945,492 0.915,493 0.896,494 1.01,495 9,496 0.275,497 5.111,498 3.354,499 2.347,500 1.156,501 1.012,502 0.599,503 0.644,504 0.396,505 22526,506 74858,507 2.077,508 35.1,510 18,511 1,513 1,517 1.781,518 1.922,519 3.793,520 -0.365,525 99.43,526 1.744,527 3.524,528 4.528,529 5.372,530 5.574,531 5.679,532 3.247,533 5.101,534 5.182,535 3.978,536 2649.51,537 9.115,538 43781.6,542 332.475,543 1.599,544 5.125,545 0.22,546 0.007,547 0.085,548 0.054,549 0.042,550 0.023,551 0.02,552 0.012,553 0.013,554 0.008,555 0.483,556 0.17,557 0.75,558 0.566,559 204.978,560 0.025,561 -0.066,562 0.157,563 -0.067,564 -0.093,565 0.024,566 0.097,567 -0.014,568 0.02,569 -0.013,570 0.117,571 -0.016,572 -0.03,573 -0.014,574 -0.064,575 -0.086,576 0.014,577 -0.089,578 -0.016,579 -0.061,580 -0.077,581 -0.103,582 0.02,583 -0.11,584 0.088,585 0.011,586 0.026,587 -0.045,588 0.113,589 -0.038,590 0.095,591 0.125,592 0.05,593 0.114,594 0.094,595 0.054,596 0.138,597 -0.021,598 0.093,599 -0.009,600 0.129,601 0.018,602 0.014,603 0.038,604 -0.005,605 0.033,606 -0.021,607 -0.038,608 5.311,609 5.458,610 0.676,611 42.78,612 1.025,613 1.116,614 4.197,615 17.612,616 0.719,617 3.738,618 4.111,619 4.382,620 4.654,621 4.883,622 4.927,623 5.05,624 5.165,625 5.288,626 5.371,627 8.38,628 0.704,629 518.57,630 3.738,631 5.313,632 6.176,633 7.076,634 7.955,635 8.857,636 9.743,637 10.645,638 11.535,639 12.437,640 3.5,644 1,645 1,650 4,651 14,656 6,657 1,658 27,668 1,669 2,670 57,671 31,672 4,673 41,675 61,676 28,677 24,678 9,679 13,680 3,681 5,682 7,693 27,694 1,696 4,697 1,698 3,699 2,701 1,705 2,707 20,708 7,709 1,710 9,711 1,714 2,717 0.6,718 4,727 1,730 1,731 4,734 1,735 1,741 2,748 3,750 1,752 1,754 2,756 37,758 1,761 1,762 1,772 2,773 7,776 3,778 1,779 19.25,780 10.652,781 7.875,782 3.166,785 5.879,786 1.684,787 1.04,788 6.55,789 14.473,790 4.086,791 4.79,792 5.403,793 6.028,794 6.598,795 6.909,796 7.322,797 7.731,798 8.107,799 8.434,800 0.9,801 62,802 14.221,803 6.787,804 8.155,805 25.301,806 21.181,807 2.655,808 98.25,812 223.651,813 213.428,814 18.304,816 80.458,817 29.92,818 5.807,819 207.62,820 304.109,821 48.224,822 8.396,823 16.405,824 156.999,825 74.163,826 54.083,827 43.835,828 211.88,830 223.651,831 225.924,832 110.378,833 5.807,835 253.571,836 80.458,839 18.304,840 188.668,841 24.76,843 253.571,844 98.762,845 213.428,847 5.807,848 223.651,849 48.033,850 161.487,851 16.405,852 110.378,853 223.651,854 128.682,855 213.428,857 0.597,858 0.349,859 0.185,860 0.102,861 30,862 14,863 0.098,864 6,865 2,866 1.16,867 4.678,868 364.208,869 0.16,870 25,871 190.75,873 1,874 24.696,875 9.814,876 5.125,877 3.679,878 126.783,879 23.092,884 -1.273,885 1.859,886 16.405,887 565.761,888 58.5,889 -4.395,890 37.228,891 2.519,893 -0.949,895 58.451,896 63.586,897 0.299,898 0.604,899 0.776,900 0.921,901 0.956,902 0.974,903 5.336,904 1.98,905 6.205,906 6.18,907 4.796,908 5.479,909 1.481,910 7.071,911 4.716,912 6.607,913 1.618,914 7.806,915 5.812,916 4.575,917 5.563,919 8.22,920 4.407,921 7.967,922 1.566,923 9.515,924 4.59,925 6.482,926 7.862,927 1.37,928 11.288,929 6.307,930 9.369,931 1.423,932 11.29,933 4.37,934 7.057,935 8.757,937 13.278,938 6.782,939 10.803,940 1.414,941 13.109,942 3.835,943 8.491,944 10.576,945 1.275,946 15.933,947 8.204,948 12.263,949 1.306,950 14.959,951 3.513,952 9.418,953 11.83,955 18.246,956 9.036,957 13.743,958 1.225,959 16.833,960 2.999,961 10.685,962 13.471,963 1.193,964 20.785,965 10.275,966 3.398,967 0.706,968 18.726,969 2.855,970 11.765,971 14.884,973 23.218,974 11.271,975 3.266,976 12.521,977 20.634,978 1.641,979 12.977,980 16.457,981 1.123,982 25.728,983 12.439,984 2.923,985 11.659,986 22.554,987 4.713,988 14.122,989 17.94,991 28.205,992 13.51,993 2.71,994 9.236,995 24.483,996 4.694,997 15.319,998 19.488,999 1.062,1000 30.71,1001 14.652,1002 2.449,1003 8.064,1004 26.421,1005 4.336,1006 16.493,1007 21.001,1009 33.205,1010 15.757,1011 2.294,1012 7.614,1013 28.365,1014 3.718,1015 17.689,1016 22.542,1017 1.01,1018 35.711,1019 16.892,1020 2.09,1021 6.677,1022 30.315,1023 3.232,1024 18.878,1025 24.069,1027 38.215,1028 18.012,1029 21067,1030 38791,1031 27.046,1032 40.966,1033 62.907,1034 65.028,1035 64.339,1036 62.175,1037 62.182,1038 87.572,1039 3.68,1040 186.63,1041 59.771,1042 5.705,1043 6.69,1044 6.998,1045 5.399,1046 5.398,1047 7.713,1048 1.96,1049 19.91,1050 5.174,1051 20.302,1052 1.534,1053 1.586,1054 1.569,1055 1.516,1056 1.517,1057 2.136,1058 0.09,1059 4.552,1060 1.458,1061 4.169,1062 4.191,1063 4.737,1064 4.097,1065 8.24,1066 4.093,1067 4.065,1068 4.077,1069 4.126,1070 4.038,1071 8.161,1072 4.006,1073 4.055,1074 4.043,1075 4.01,1076 4.007,1077 7.718,1078 3.963,1079 3.703,1080 3.711,1081 3.767,1082 3.574,1083 7.428,1084 3.555,1085 3.539,1086 3.563,1087 3.512,1088 3.44,1089 6.999,1090 3.418,1091 3.47,1092 3.487,1093 3.415,1094 3.375,1095 5.024,1096 3.364,1097 3.387,1098 3.433,1099 3.291,1100 3.22,1101 4.871,1102 3.223,1103 3.076,1104 3.114,1105 2.986,1106 2.964,1107 4.536,1108 2.955,1109 0.119,1110 0.114,1111 0.178,1112 0.105,1113 0.083,1114 4.861,1115 0.115,1116 4.69,1117 0.024,1118 7.311,1119 0.305,1120 4.318,1121 0.077,1122 3.398,1123 4.713,1124 0.98,1125 12.521,1126 3.174,1127 2.067,1128 2.051,1129 2.15,1130 2.128,1131 1.275,1132 2.136,1133 1.947,1134 1.959,1135 2.009,1136 2.03,1137 1.171,1138 2.054,1139 1.928,1140 1.913,1141 1.932,1142 2.013,1143 1.139,1144 2.014,1145 1.691,1146 1.654,1147 1.826,1148 1.854,1149 0.912,1150 1.848,1151 1.496,1152 1.489,1153 1.642,1154 1.708,1155 0.686,1156 1.703,1157 1.457,1158 1.432,1159 1.614,1160 1.581,1161 0.662,1162 1.598,1163 1.315,1164 1.287,1165 1.313,1166 1.488,1167 0.524,1168 1.519,1169 1.068,1170 1.023,1171 1.285,1172 1.225,1173 0.358,1174 1.24,1175 4.419,1177 5.778,1178 2.398,1179 7.324,1180 4.844,1181 8.957,1182 7.034,1183 10.635,1185 1.84,1187 26.604,1191 1.835,1192 6.21,1199 40.124,1200 99.43,1201 200.859,1202 258.104,1203 306.21,1204 317.72,1205 323.72,1206 92.948,1207 8.594,1208 77.4,1209 85.78,1210 29,1211 12.96,1212 5,1213 4.209,1214 56.832,1215 184,1216 188,1217 0.145,1218 244.506,1219 427.51,1220 588.355,1221 81146,1222 3.5,1223 26.156,1224 0.707,1225 0.549,1226 24.666,1227 20.298,1228 17.708,1229 0.432,1230 0.308,1231 11.121,1232 16.26,1233 10.764,1234 8.901,1235 17.725,1236 12.641,1237 16.964,1238 0.283,1239 0.167,1240 17.135,1241 10.018,1242 13.993,1243 0.177,1244 0.09,1245 14.135,1246 7.149,1247 11.679,1248 0.112,1249 0.048,1250 12.382,1251 5.007,1252 9.559,1253 0.073,1254 0.026,1255 9.777,1256 3.386,1257 0.232,1258 119.627,1259 0.192,1260 33.917,1261 0.388,1262 202,1263 752.003,1264 261.073,1265 695.045,1266 926.26,1267 640,1268 240,1269 645.496,1270 307.585,1271 678.347,1272 991.95,1273 636,1274 5.445}
{0 CHEMBL521777,1 2.013,2 13.917,3 6.203,4 38.481,5 126.168,6 10.567,7 0.564,8 4.08,9 4.142,10 4.027,11 3.692,12 5.408,13 3.702,14 4.581,15 4.671,16 4.39,17 4.056,18 6.154,19 4.077,20 4.841,21 4.95,22 4.567,23 4.158,24 6.436,25 4.182,26 4.875,27 5,28 4.463,29 4.091,30 6.665,31 4.113,32 4.776,33 4.919,34 4.296,35 4.033,36 6.416,37 4.034,38 4.782,39 4.937,40 4.263,41 4.052,42 6.392,43 4.036,44 4.756,45 4.917,46 4.291,47 4.045,48 6.257,49 4.02,50 4.757,51 4.915,52 4.298,53 3.984,54 6.29,55 3.962,56 0.366,57 0.991,58 5.133,59 4.876,60 58.342,61 3.846,62 0.832,63 1.561,64 9.722,65 7.851,66 110.221,67 6.633,68 1.484,69 2.067,70 20.943,71 11.247,72 229.864,73 8.341,74 1.857,75 1.984,76 24.407,77 11.227,78 302.833,79 9.144,80 1.498,81 1.755,82 19.885,83 10.094,84 235.619,85 9.079,86 1.447,87 1.619,88 18.711,89 10.066,90 224.236,91 10.001,92 1.234,93 1.645,94 20.071,95 10.258,96 182.223,97 10.356,98 1.386,99 1.607,100 21.174,101 9.991,102 205.131,103 8.809,104 82,105 58,106 0.33,107 0.644,108 0.785,109 0.894,110 0.907,111 0.907,112 3.616,113 0.917,114 -5.17,115 -5.06,116 -4.74,118 47.1,123 1,129 2,133 8,134 2,135 8,141 1,142 1,145 1,154 6,157 1,158 8,160 3,162 1,164 7,167 8,170 2,171 8,174 3,175 9,179 2,180 7,184 6,189 1,192 10,195 1,196 5,198 1,202 9,205 1,206 5,208 1,210 2,211 8,214 2,215 1,219 1,222 5,225 2,226 8,230 2,233 3,236 2492,237 23.195,238 23.195,239 23.195,240 23.195,241 23.195,242 19.767,243 20.425,244 13.121,245 23.864,246 19.177,247 19.177,248 19.177,249 19.177,250 19.177,251 13.918,252 18.851,253 6.198,254 20.465,255 3.66,256 1.741,257 0.878,258 0.211,259 0.132,260 0.132,261 4.3,262 1,266 1,267 1066,268 4.359,270 87.338,271 353.757,274 163.575,277 1.981,278 84.068,280 0.75,281 0.83,282 0.83,283 0.3,285 0.83,286 1,287 0.65,288 83.333,289 501,290 4.897,291 4.719,292 7.405,293 4.364,294 3.446,295 4.756,296 0.98,297 12.904,298 3.174,299 4.71,300 3.438,301 6.922,302 4.237,303 3.266,304 4.694,305 0.86,306 11.659,307 3.131,308 4.218,309 3.379,310 5.982,311 3.749,312 2.832,313 3.872,315 8.388,316 2.574,317 4.166,318 3.285,319 5.96,320 3.694,321 2.755,322 3.802,324 8.382,325 2.567,326 3.747,327 3.273,328 5.695,329 3.322,330 2.411,331 3.167,333 7.482,334 2.28,335 3.727,336 2.831,337 5.465,338 3.296,339 2.311,340 3.056,342 6.688,343 2.161,344 3.481,345 2.697,346 5.336,347 3.043,348 2.097,349 2.811,351 6.482,352 1.991,353 3.418,354 2.276,355 5.073,356 2.954,357 2.023,358 2.735,360 5.936,361 1.85,362 3.362,363 2.12,364 4.899,365 2.911,366 1.935,367 2.647,369 5.483,370 1.82,371 2.907,372 2.102,373 4.41,374 2.422,375 1.474,376 2.057,378 4.155,379 1.38,380 2.82,381 2.072,382 4.396,383 2.338,384 1.414,385 1.949,387 3.833,388 1.278,389 2.727,390 1.494,391 4.041,392 2.269,393 1.324,394 1.812,395 3.52,396 1.237,397 2.714,398 1.355,399 3.73,400 2.222,401 1.226,402 1.765,403 2.86,404 1.22,405 2.244,406 1.259,407 3.487,408 1.546,409 0.569,410 0.861,411 1.391,412 0.547,413 1.643,414 0.883,415 3.149,416 1.24,417 0.403,418 0.476,419 0.979,420 0.326,421 16.824,422 0.467,423 1.301,424 0.036,425 49.5,426 1.375,427 26.5,428 0.736,429 23,430 0.639,431 29.099,432 0.808,433 38.976,434 0.764,435 47.12,436 1.309,437 10.206,438 0.283,439 6.752,440 0.188,441 0.2,442 0.05,443 0.38,445 4,447 0.568,448 0.921,449 0.619,450 1.068,451 0.59,452 0.816,453 0.686,454 0.923,455 0.693,456 0.912,457 0.599,458 0.831,459 1.042,460 1.031,461 0.979,462 1.113,463 0.974,464 1.018,465 0.854,466 0.847,467 1.002,468 1.032,469 0.803,470 1.061,471 0.682,472 0.713,473 0.737,474 0.944,475 0.673,476 1.061,477 0.637,478 0.694,479 0.66,480 0.795,481 0.625,482 0.992,483 0.667,484 0.869,485 0.777,486 0.974,487 0.676,488 1.044,489 0.923,490 0.822,491 1.008,492 0.904,493 0.978,494 1.036,495 10,496 0.349,497 5.556,498 4.042,499 2.476,500 1.295,501 1.074,502 0.658,503 0.718,504 0.401,505 19380,506 86228,507 1.985,508 29.4,510 13,511 1,513 1,517 1.774,518 1.793,519 3.726,520 -0.272,525 102.651,526 2.013,527 3.931,528 4.795,529 5.462,530 5.54,531 5.54,532 3.192,533 4.892,534 5.144,535 3.914,536 2466,537 9.041,538 39743.8,542 289.294,543 1.705,544 5.057,545 0.256,546 0.009,547 0.096,548 0.066,549 0.043,550 0.026,551 0.021,552 0.013,553 0.016,554 0.009,555 0.557,556 0.17,557 0.88,558 0.644,559 197.282,560 -0.004,561 -0.068,562 0.093,563 -0.086,564 -0.072,565 0.01,566 0.018,567 -0.067,568 0.024,569 -0.006,570 0.07,571 0.015,572 -0.1,573 -0.068,574 -0.039,575 -0.11,576 -0.075,577 -0.097,578 0.119,579 0.058,580 -0.094,581 -0.07,582 0.155,583 -0.117,584 0.127,585 0.072,586 0.035,587 -0.05,588 0.121,589 -0.067,590 0.132,591 0.046,592 0.098,593 0.073,594 0.134,595 0.035,596 0.071,597 -0.083,598 0.109,599 -0.031,600 0.068,601 0.016,602 -0.062,603 -0.01,604 -0.002,605 0.053,606 -0.086,607 -0.009,608 5.753,609 5.872,610 0.583,611 38.623,612 1.057,613 1.133,614 3.938,615 15.508,616 0.724,617 3.689,618 4.078,619 4.331,620 4.595,621 4.787,622 4.828,623 4.898,624 4.997,625 5.075,626 5.159,627 8.084,628 0.729,629 538.93,630 3.689,631 5.273,632 6.133,633 7.04,634 7.918,635 8.825,636 9.711,637 10.619,638 11.509,639 12.417,640 3.9,644 1,645 1,650 2,651 9,656 9,657 1,658 22,668 1,669 5,670 51,671 26,672 3,673 39,675 54,676 24,677 20,678 10,679 8,680 3,681 4,682 5,683 1,693 23,694 1,696 4,697 1,698 3,699 2,701 1,705 4,707 15,708 9,709 1,710 12,711 2,714 2,717 0.75,718 4,727 1,730 1,731 3,734 1,741 2,748 3,750 1,752 1,753 1,754 4,756 36,758 1,761 1,762 1,772 5,773 7.8,776 3,778 1,779 20.083,780 9.664,781 7.653,782 2.724,785 4.706,786 1.579,787 1.015,788 7.143,789 12.837,790 4.007,791 4.712,792 5.289,793 5.894,794 6.415,795 6.702,796 7.051,797 7.436,798 7.72,799 8.098,800 1,801 61,802 14.259,803 7.272,804 8.556,805 23.74,806 19.615,807 3.056,808 110.028,812 164.795,813 182.643,814 18.304,815 39.149,816 80.458,817 59.84,818 5.807,819 176.836,820 284.402,821 78.145,822 8.396,823 16.405,824 109.617,825 74.163,826 70.68,827 73.756,828 153.024,829 39.149,830 164.795,831 195.14,832 140.298,833 44.956,835 224.636,836 80.458,839 18.304,840 157.883,841 63.909,843 224.636,844 98.762,845 221.792,847 5.807,848 164.795,849 64.63,850 114.105,851 16.405,852 179.447,853 164.795,854 158.602,855 221.792,857 0.604,858 0.353,859 0.183,860 0.099,861 28,862 15,863 0.111,864 6,865 1,866 1.095,867 4.449,868 346.152,869 0.095,870 21,871 184.117,873 1,874 25.771,875 9.978,876 5.44,877 1.201,878 156.703,879 10.82,884 -5.794,885 1.718,886 16.405,887 545.19,888 54,889 -4.836,890 36.906,891 2.146,893 -1.172,895 53.916,896 57.794,897 0.355,898 0.693,899 0.845,900 0.963,901 0.977,902 0.977,903 5.276,904 2.023,905 6.184,906 6.482,907 4.762,908 5.4,909 1.481,910 7.066,911 4.634,912 6.559,913 1.935,914 7.802,915 5.936,916 4.635,917 5.563,919 8.244,920 4.393,921 7.929,922 1.474,923 9.525,924 5.483,925 6.469,926 7.778,927 1.37,928 11.319,929 6.217,930 9.338,931 1.414,932 11.31,933 4.155,934 7.099,935 8.713,937 13.326,938 6.726,939 10.777,940 1.324,941 13.136,942 3.833,943 8.498,944 10.487,945 1.275,946 16.008,947 8.11,948 12.241,949 1.226,950 14.994,951 3.52,952 9.456,953 11.763,955 18.345,956 8.96,957 13.724,958 0.569,959 16.875,960 2.86,961 10.712,962 13.385,963 1.193,964 20.916,965 10.183,966 3.446,967 0.403,968 18.775,969 1.391,970 11.812,971 14.812,973 23.377,974 11.191,975 3.266,976 12.904,977 20.691,978 0.979,979 13.026,980 16.381,981 1.123,982 25.919,983 12.356,984 2.832,985 11.659,986 22.621,987 4.756,988 14.187,989 17.874,991 28.427,992 13.437,993 2.755,994 8.388,995 24.561,996 4.694,997 15.392,998 19.426,999 1.062,1000 30.963,1001 14.583,1002 2.411,1003 8.382,1004 26.51,1005 3.872,1006 16.582,1007 20.949,1009 33.49,1010 15.697,1011 2.311,1012 7.482,1013 28.466,1014 3.802,1015 17.789,1016 22.497,1017 1.01,1018 36.027,1019 16.839,1020 2.097,1021 6.688,1022 30.429,1023 3.167,1024 18.992,1025 24.035,1027 38.563,1028 17.97,1029 18713,1030 39763,1031 24.679,1032 36.938,1033 60.385,1034 63.298,1035 62.675,1036 59.702,1037 59.553,1038 81.634,1039 3.68,1040 181.642,1041 55.512,1042 5.746,1043 6.719,1044 6.924,1045 5.445,1046 5.446,1047 7.756,1048 1.96,1049 20.658,1050 5.174,1051 24.503,1052 1.548,1053 1.623,1054 1.607,1055 1.531,1056 1.527,1057 2.093,1058 0.094,1059 4.657,1060 1.423,1061 4.159,1062 4.182,1063 4.739,1064 4.084,1065 8.242,1066 4.079,1067 4.071,1068 4.049,1069 4.123,1070 4.033,1071 8.201,1072 3.967,1073 3.89,1074 3.906,1075 3.998,1076 3.817,1077 8.198,1078 3.818,1079 3.706,1080 3.713,1081 3.79,1082 3.573,1083 8.161,1084 3.555,1085 3.518,1086 3.537,1087 3.511,1088 3.432,1089 7.717,1090 3.401,1091 3.408,1092 3.444,1093 3.394,1094 3.226,1095 7.428,1096 3.231,1097 3.084,1098 3.112,1099 3.268,1100 2.92,1101 6.999,1102 2.932,1103 2.973,1104 3,1105 2.973,1106 2.796,1107 5.006,1108 2.792,1109 0.126,1110 0.121,1111 0.19,1112 0.112,1113 0.088,1114 4.897,1115 0.122,1116 4.719,1117 0.025,1118 7.405,1119 0.331,1120 4.364,1121 0.081,1122 3.446,1123 4.756,1124 0.98,1125 12.904,1126 3.174,1127 1.953,1128 1.957,1129 2.021,1130 2.046,1131 1.177,1132 2.05,1133 1.933,1134 1.933,1135 1.905,1136 2.026,1137 1.127,1138 2.033,1139 1.834,1140 1.817,1141 1.895,1142 1.925,1143 1.013,1144 1.925,1145 1.69,1146 1.653,1147 1.824,1148 1.85,1149 0.912,1150 1.844,1151 1.486,1152 1.485,1153 1.626,1154 1.701,1155 0.668,1156 1.696,1157 1.317,1158 1.291,1159 1.312,1160 1.491,1161 0.52,1162 1.521,1163 1.036,1164 1.006,1165 1.126,1166 1.224,1167 0.295,1168 1.229,1169 0.885,1170 0.873,1171 1.112,1172 1.083,1173 0.174,1174 1.085,1175 4.369,1177 5.74,1178 2.398,1179 7.29,1180 4.844,1181 8.925,1182 7.034,1183 10.607,1185 1.724,1186 5.707,1187 54.222,1191 1.576,1192 5.811,1199 37.191,1200 102.651,1201 200.485,1202 244.539,1203 278.539,1204 282.539,1205 282.539,1206 127.965,1207 8.132,1208 77.4,1209 85.78,1210 23,1211 12.937,1212 4.755,1213 4,1214 62.204,1215 175,1216 168,1217 0.17,1218 230.114,1219 414.2,1220 553.239,1221 44162,1222 9.8,1223 26.198,1224 0.728,1225 0.55,1226 23.467,1227 19.802,1228 16.957,1229 0.435,1230 0.306,1231 10.007,1232 15.02,1233 9.691,1234 7.956,1235 16.441,1236 11.925,1237 16.66,1238 0.287,1239 0.165,1240 16.186,1241 9.581,1242 13.38,1243 0.178,1244 0.089,1245 12.91,1246 6.706,1247 11.032,1248 0.113,1249 0.046,1250 10.929,1251 4.557,1252 8.577,1253 0.072,1254 0.025,1255 8.667,1256 2.977,1257 0.271,1258 120.028,1259 0.201,1260 33.013,1261 0.457,1262 194,1263 924.428,1264 276.254,1265 828.882,1266 1062.83,1267 758,1268 230,1269 697.025,1270 320.057,1271 723.17,1272 1060.32,1273 676,1274 5.652}
{0 CHEMBL557109,1 1.72,2 10.174,3 3.177,4 10.093,5 89.957,6 7.939,7 0.44,8 3.846,9 3.951,10 3.516,11 3.386,12 4.938,13 3.35,14 4.392,15 4.552,16 3.91,17 3.744,18 5.442,19 3.692,20 4.592,21 4.792,22 3.885,23 3.831,24 5.63,25 3.747,26 4.565,27 4.757,28 3.86,29 3.822,30 5.673,31 3.71,32 4.536,33 4.769,34 3.654,35 3.69,36 5.637,37 3.555,38 4.304,39 4.548,40 3.472,41 3.438,42 5.351,43 3.332,44 4.072,45 4.262,46 3.42,47 3.272,48 5.223,49 3.231,50 4.055,51 4.237,52 3.374,53 3.271,54 5.253,55 3.211,56 0.071,57 0.624,58 8.745,59 4.214,60 6.76,61 4.985,62 0.285,63 0.987,64 19.102,65 6.729,66 22.314,67 8.532,68 0.461,69 1.111,70 25.538,71 8.802,72 37.334,73 10.696,74 0.386,75 1.149,76 26.89,77 8.585,78 39.299,79 10.157,80 0.521,81 1.086,82 28.216,83 8.066,84 48.512,85 10.067,86 0.417,87 0.852,88 20.222,89 5.701,90 35.764,91 7.534,92 0.33,93 0.675,94 15.258,95 4.187,96 29.31,97 5.049,98 0.342,99 0.619,100 14.263,101 4.684,102 37.812,103 5.648,104 15,105 34,106 0.304,107 0.616,108 0.758,109 0.787,110 0.795,111 0.804,112 3.188,113 1.028,114 -3.76,115 -3.72,116 -3.54,118 38.1,119 2,120 2,121 1,124 2,133 3,134 1,135 2,145 1,147 1,148 1,149 1,154 7,158 6,160 2,162 2,164 6,166 1,167 9,168 1,170 2,171 5,174 1,175 9,179 2,180 4,183 2,184 5,187 1,189 2,192 2,195 1,196 4,198 1,200 2,202 2,205 1,206 4,211 4,214 2,215 3,222 7,225 1,226 1,233 6,236 706,237 15.826,238 15.826,239 15.826,240 15.826,241 15.826,242 14.441,243 20.365,244 9.298,245 16.389,246 12.208,247 12.208,248 12.208,249 12.208,250 12.208,251 9.962,252 25.135,253 4.23,254 13.147,255 3.672,256 1.907,257 1.102,258 0.941,259 0.893,260 0.845,261 3.869,264 1,265 1,266 1,267 499,268 3.391,270 65.614,271 125.418,275 106.51,277 1.588,278 24.214,279 1,280 1,281 1,282 1,283 1,284 0.5,285 1,286 1,287 0.93,288 50.5,289 234,290 4.345,291 3.583,292 6.258,293 3.956,294 2.994,295 3.981,296 1.058,297 9.45,298 2.898,299 4.204,300 3.22,301 6.167,302 3.811,303 2.896,304 3.787,305 0.86,306 9.143,307 2.662,308 3.893,309 3.093,310 5.92,311 3.573,312 2.61,313 3.234,314 0.86,315 8.256,316 2.486,317 3.471,318 2.411,319 5.277,320 3.152,321 2.236,322 2.651,324 6.657,325 2.013,326 2.924,327 2.196,328 4.446,329 2.532,330 1.618,331 2.063,333 4.421,334 1.474,335 2.86,336 2.047,337 4.277,338 2.486,339 1.543,340 1.904,342 3.898,343 1.438,344 2.569,345 1.683,346 3.969,347 2.299,348 1.378,349 1.565,351 3.183,352 1.255,353 2.44,354 1.442,355 3.599,356 2.094,357 1.123,358 1.418,360 2.797,361 1.07,362 2.171,363 0.995,364 3.272,365 1.618,366 0.703,367 1.02,369 1.677,370 0.618,371 1.869,372 0.747,373 3.157,374 1.599,375 0.64,376 0.764,378 1.509,379 0.615,380 1.618,381 0.618,382 2.719,383 1.537,384 0.618,385 0.618,387 0.791,388 0.565,389 1.02,390 0.382,391 2.618,392 0.725,393 -0.216,394 -0.237,395 -0.328,396 -0.2,397 0.866,398 0.019,399 2.319,400 0.55,401 -0.389,402 -0.445,403 -0.921,404 -0.364,405 0.746,406 -0.197,407 2.214,408 0.45,409 -0.542,410 -0.707,411 -1.266,412 -0.518,413 0.686,414 -0.297,415 2,416 0.31,417 -0.618,418 -0.729,419 -1.6,420 -0.566,421 11.033,422 0.48,423 0.465,424 0.02,425 27.75,426 1.207,427 13,428 0.565,429 14.75,430 0.641,431 20.002,432 0.87,433 25.567,434 0.609,435 17.588,436 0.765,437 4.997,438 0.217,439 6.21,440 0.27,441 0.121,443 0.317,447 0.762,448 1.2,449 0.733,450 1.035,451 0.6,452 0.975,453 0.918,454 1.176,455 0.763,456 1.043,457 0.645,458 0.932,459 1.031,460 0.964,461 0.909,462 0.916,463 0.87,464 0.861,465 1.05,466 1.248,467 1.298,468 1.278,469 1.195,470 1.135,471 0.815,472 1.099,473 1.357,474 1.194,475 0.972,476 1.038,477 0.845,478 0.971,479 1.013,480 0.884,481 0.848,482 0.864,483 1.477,484 0.93,485 1.088,486 0.9,487 1.991,488 0.866,489 1.303,490 0.868,491 0.875,492 0.873,493 2.304,494 0.915,495 4.5,496 0.099,497 2.667,498 1.285,499 1.286,500 0.643,501 0.315,502 0.324,503 0.107,504 0.116,505 5834,506 15705,507 2.067,508 45.2,509 10,510 7,513 1,514 1,517 1.654,518 1.944,519 3.347,520 -0.241,521 1,522 1,523 1,525 72.257,526 1.72,527 3.485,528 4.291,529 4.452,530 4.499,531 4.547,532 2.773,533 4.089,534 4.496,535 3.486,536 881.904,537 7.722,538 10185.2,539 1,540 1,541 1,542 226.477,543 1.371,544 4.458,545 0.18,546 0.008,547 0.078,548 0.038,549 0.043,550 0.026,551 0.015,552 0.016,553 0.006,554 0.007,555 0.417,556 0.33,557 1,558 1.083,559 108.639,560 0.005,561 -0.026,562 0.075,563 -0.011,564 -0.006,565 0.002,566 0.061,567 -0.125,568 0.178,569 -0.022,570 0.073,571 0.045,572 0.025,573 0.013,574 0.092,575 0.093,576 0.06,577 0.121,578 -0.094,579 -0.166,580 -0.135,581 -0.161,582 -0.038,583 -0.155,584 0.087,585 -0.035,586 -0.144,587 -0.1,588 0.101,589 -0.061,590 0.083,591 0.073,592 0.032,593 0.067,594 0.086,595 0.077,596 -0.198,597 0.168,598 -0.069,599 0.039,600 -0.273,601 0.02,602 -0.012,603 0.107,604 0.045,605 0.06,606 -0.191,607 0.019,608 1.894,609 5.349,610 0.652,611 19.308,612 1.01,613 1.128,614 2.526,615 6.38,616 0.67,617 3.258,618 3.555,619 3.829,620 4.043,621 4.19,622 4.234,623 4.304,624 4.317,625 4.394,626 4.317,627 6.066,628 0.634,629 333.45,630 3.258,631 4.779,632 5.624,633 6.488,634 7.347,635 8.214,636 9.078,637 9.946,638 10.812,639 11.681,640 7.1,644 1,647 2,651 3,652 2,655 1,656 5,658 11,661 1,668 2,670 42,671 12,672 1,673 25,675 44,676 16,677 8,678 3,679 3,680 1,681 3,682 4,685 2,691 2,693 9,694 7,695 1,696 1,698 1,701 1,703 1,704 1,707 19,708 6,709 1,710 7,711 1,714 3,717 0.667,718 3,730 1,731 2,735 1,748 2,750 1,752 2,756 23,760 4,761 1,762 2,764 1,773 7.1,776 1,778 2,779 11.833,780 8.15,781 5.25,782 2.876,785 2.022,786 1.292,787 0.952,788 5.235,789 8.944,790 3.481,791 4.021,792 4.566,793 5.081,794 5.453,795 5.669,796 5.905,797 5.988,798 6.287,799 6.461,800 0.857,801 34,802 8.516,803 3.57,804 7.746,805 16.288,806 13.143,807 2.246,808 51.667,811 1,812 211.88,813 111.418,814 51.337,816 47.145,818 31.278,819 80.14,820 259.025,821 51.337,822 17.65,823 32.265,824 28.429,825 64.105,826 36.173,828 243.158,830 211.88,831 131.477,832 47.145,833 31.278,835 211.88,836 47.145,839 51.345,840 46.806,841 33.326,842 31.278,843 211.88,844 98.481,845 111.418,848 211.88,849 65.339,850 46.079,851 18.011,852 80.471,853 211.88,854 98.481,855 111.418,857 0.571,858 0.349,859 0.186,860 0.09,861 16,862 7,863 0.114,864 5,865 1,866 1.133,867 3.568,868 177.544,869 0.133,870 15,871 100.042,872 1,874 16.342,875 7.367,876 3.7,878 98.481,879 5.15,880 8.251,883 1.432,884 3.256,886 18.011,887 421.779,888 31.5,890 12.349,893 -0.228,895 42.433,896 47.365,897 0.319,898 0.646,899 0.796,900 0.826,901 0.834,902 0.843,903 4.707,904 1.123,905 5.595,906 3.183,907 4.234,908 4.705,909 1.824,910 6.382,911 4.1,912 5.884,913 0.703,914 7.141,915 2.797,916 3.761,917 4.46,919 7.235,920 3.591,921 7.177,922 0.64,923 8.785,924 1.677,925 5.808,926 6.827,927 1.74,928 10.291,929 5.56,930 8.506,931 0.618,932 10.486,933 1.509,934 6.176,935 7.427,937 11.941,938 5.894,939 9.869,940 -0.216,941 12.221,942 0.791,943 7.654,944 9.239,945 1.692,946 14.482,947 7.309,948 11.252,949 -0.389,950 13.979,951 -0.328,952 8.398,953 10.216,955 16.449,956 8.017,957 12.651,958 -0.542,959 15.753,960 -0.921,961 9.644,962 11.796,963 1.676,964 18.803,965 9.209,966 2.994,967 -0.618,968 17.537,969 -1.266,970 10.563,971 12.956,973 20.907,974 10.089,975 2.896,976 9.45,977 19.329,978 -1.6,979 11.71,980 14.429,981 1.688,982 23.185,983 11.189,984 2.61,985 9.143,986 21.127,987 3.981,988 12.711,989 15.682,991 25.352,992 12.15,993 2.236,994 8.256,995 22.929,996 3.787,997 13.816,998 17.102,999 1.723,1000 27.599,1001 13.212,1002 1.618,1003 6.657,1004 24.734,1005 3.234,1006 14.856,1007 18.405,1009 29.796,1010 14.213,1011 1.543,1012 4.421,1013 26.542,1014 2.651,1015 15.944,1016 19.799,1017 1.776,1018 32.031,1019 15.261,1020 1.378,1021 3.898,1022 28.353,1023 2.063,1024 17.004,1025 21.13,1027 34.244,1028 16.282,1029 5698,1030 9550,1031 16.701,1032 28.12,1033 37.006,1034 37.81,1035 38.286,1036 36.721,1037 36.72,1038 46.007,1039 5.557,1040 103.566,1041 34.191,1042 5.289,1043 5.583,1044 5.946,1045 5.096,1046 4.994,1047 6.981,1048 2.117,1049 15.898,1050 4.898,1051 10.537,1052 1.48,1053 1.512,1054 1.531,1055 1.469,1056 1.469,1057 1.84,1058 0.222,1059 4.143,1060 1.368,1061 3.981,1062 3.997,1063 4.231,1064 3.887,1065 7.429,1066 3.886,1067 3.862,1068 3.895,1069 3.911,1070 3.8,1071 5.01,1072 3.754,1073 3.588,1074 3.642,1075 3.495,1076 3.435,1077 4.934,1078 3.408,1079 3.46,1080 3.507,1081 3.395,1082 3.274,1083 4.297,1084 3.278,1085 3.306,1086 3.407,1087 3.096,1088 3.123,1089 4.209,1090 3.089,1091 3.167,1092 3.208,1093 3.04,1094 2.959,1095 4.183,1096 2.977,1097 2.881,1098 2.925,1099 2.766,1100 2.709,1101 3.892,1102 2.709,1103 2.728,1104 2.827,1105 2.528,1106 2.528,1107 3.8,1108 2.512,1109 0.174,1110 0.143,1111 0.25,1112 0.158,1113 0.12,1114 4.345,1115 0.159,1116 3.583,1117 0.042,1118 6.258,1119 0.378,1120 3.956,1121 0.116,1122 2.994,1123 3.981,1124 1.058,1125 9.45,1126 2.898,1127 1.905,1128 1.894,1129 1.994,1130 2.032,1131 1.321,1132 2.016,1133 1.771,1134 1.723,1135 1.99,1136 1.912,1137 1.116,1138 1.948,1139 1.46,1140 1.423,1141 1.725,1142 1.716,1143 0.927,1144 1.699,1145 1.351,1146 1.262,1147 1.692,1148 1.584,1149 0.869,1150 1.638,1151 1.298,1152 1.256,1153 1.351,1154 1.523,1155 0.542,1156 1.509,1157 1.082,1158 1.028,1159 1.301,1160 1.311,1161 0.358,1162 1.32,1163 0.915,1164 0.876,1165 1.119,1166 1.117,1167 0.19,1168 1.118,1169 0.809,1170 0.773,1171 0.908,1172 1.036,1173 0.067,1174 1.019,1175 3.932,1177 5.231,1178 2.398,1179 6.73,1180 4.595,1181 8.315,1182 6.581,1183 9.943,1185 4.256,1190 3.053,1191 2.798,1192 10.953,1194 0.396,1199 26.61,1200 72.257,1201 146.364,1202 180.213,1203 186.968,1204 188.968,1205 190.968,1206 39.141,1207 6.922,1208 73.34,1209 101.58,1210 17,1211 12.225,1212 3.7,1213 2.907,1214 37.017,1215 84,1216 73,1217 0.217,1218 168.006,1219 288.52,1220 401.694,1221 8965,1223 16.234,1224 0.706,1225 0.608,1226 16.587,1227 13.982,1228 11.207,1229 0.448,1230 0.343,1231 7.698,1232 10.263,1233 7.44,1234 6.196,1235 11.615,1236 8.569,1237 9.606,1238 0.283,1239 0.185,1240 10.275,1241 6.281,1242 8.387,1243 0.186,1244 0.107,1245 9.159,1246 4.801,1247 6.856,1248 0.122,1249 0.062,1250 7.748,1251 3.447,1252 4.983,1253 0.077,1254 0.029,1255 5.572,1256 1.896,1257 0.343,1258 75.035,1259 0.245,1260 22.761,1261 0.586,1262 118,1263 387.69,1264 160.143,1265 382.817,1266 523.07,1267 360,1268 138,1269 372.004,1270 175.732,1271 383.705,1272 565.43,1273 362,1274 4.602}
{0 CHEMBL563480,1 1.898,2 11.179,3 4.656,4 21.676,5 114.049,6 9.895,7 0.548,8 3.919,9 4.01,10 3.764,11 3.551,12 5.081,13 3.518,14 4.433,15 4.566,16 4.205,17 3.934,18 5.586,19 3.891,20 4.643,21 4.807,22 4.275,23 4.065,24 5.784,25 3.992,26 4.653,27 4.795,28 4.502,29 4.088,30 5.91,31 3.981,32 4.647,33 4.849,34 4.09,35 3.927,36 5.796,37 3.819,38 4.475,39 4.69,40 3.83,41 3.686,42 5.598,43 3.593,44 4.286,45 4.468,46 3.722,47 3.541,48 5.5,49 3.481,50 4.187,51 4.353,52 3.876,53 3.501,54 5.586,55 3.455,56 0.119,57 0.651,58 4.913,59 3.683,60 8.556,61 3.993,62 0.341,63 1.067,64 13.584,65 6.421,66 20.938,67 6.984,68 0.515,69 1.204,70 23.323,71 8.984,72 35.525,73 9.611,74 0.583,75 1.19,76 32.232,77 9.574,78 50.38,79 9.485,80 0.594,81 1.204,82 27.804,83 9.728,84 49.656,85 10.986,86 0.574,87 1.043,88 23.578,89 8.11,90 44.356,91 8.918,92 0.445,93 0.86,94 17.79,95 5.857,96 43.753,97 5.627,98 0.55,99 0.746,100 15.73,101 5.491,102 63.354,103 5.137,104 18,105 44,106 0.326,107 0.666,108 0.796,109 0.865,110 0.865,111 0.865,112 3.375,113 0.992,114 -4.69,115 -4.6,116 -4.33,118 43.2,119 1,124 3,133 6,134 2,135 4,145 1,147 1,148 1,149 1,154 5,158 7,160 2,162 2,164 10,166 1,167 7,168 1,170 2,171 4,174 1,175 9,179 2,180 9,183 2,184 9,187 1,192 5,195 1,196 5,198 1,200 4,202 3,205 1,206 3,210 2,211 2,214 2,215 5,222 5,225 1,226 3,233 10,236 1144,237 19.024,238 19.024,239 19.024,240 19.024,241 19.024,242 16.845,243 22.255,244 11.01,245 19.816,246 15.215,247 15.215,248 15.215,249 15.215,250 15.215,251 11.868,252 28.509,253 5.097,254 16.587,255 3.562,256 1.581,257 0.824,258 0.426,259 0.426,260 0.426,261 4.07,262 2,265 1,266 1,267 682,268 3.082,270 74.306,271 246.077,275 129.087,277 1.75,278 29.528,280 1,281 1,282 1,283 0.8,284 0.5,285 1,286 1,287 0.9,288 60.667,289 313,290 4.494,291 3.585,292 6.722,293 4.057,294 3.133,295 4.198,296 1.058,297 10.838,298 2.969,299 4.395,300 3.385,301 6.541,302 4.033,303 3.084,304 4.015,305 0.86,306 10.333,307 2.825,308 4.035,309 3.297,310 6.009,311 3.689,312 2.731,313 3.549,314 0.8,315 8.557,316 2.618,317 3.84,318 2.663,319 5.493,320 3.337,321 2.45,322 3.243,324 7.264,325 2.125,326 3.264,327 2.623,328 5.181,329 3,330 2.073,331 2.481,333 6.128,334 1.915,335 3.232,336 2.479,337 4.864,338 2.739,339 1.879,340 2.426,342 5.301,343 1.656,344 3.168,345 2.087,346 4.841,347 2.707,348 1.824,349 2.357,351 5.104,352 1.441,353 2.83,354 1.95,355 4.212,356 2.431,357 1.491,358 1.893,360 3.769,361 1.388,362 2.628,363 1.643,364 3.992,365 2.252,366 1.268,367 1.663,369 3.187,370 1.238,371 2.581,372 1.311,373 3.75,374 2.068,375 1.114,376 1.581,378 2.707,379 1.034,380 2.224,381 1.15,382 3.413,383 1.96,384 0.997,385 1.181,387 2.255,388 0.948,389 2.189,390 0.872,391 3.275,392 1.6,393 0.709,394 1.04,395 1.699,396 0.609,397 1.486,398 0.631,399 2.835,400 1.346,401 0.399,402 0.424,403 0.658,404 0.375,405 1.209,406 0.509,407 2.712,408 0.739,409 -0.054,410 -0.064,411 -0.14,412 -0.035,413 1,414 0.312,415 2.552,416 0.599,417 -0.327,418 -0.379,419 -0.757,420 -0.229,421 14.029,422 0.501,423 0.695,424 0.025,425 37.5,426 1.339,427 19,428 0.679,429 18.5,430 0.661,431 24.218,432 0.865,433 29.171,434 0.663,435 26.336,436 0.941,437 7.19,438 0.257,439 6.373,440 0.228,441 0.161,443 0.349,447 0.693,448 1.151,449 0.551,450 0.809,451 0.558,452 0.785,453 0.842,454 1.139,455 0.628,456 0.847,457 0.595,458 0.782,459 1.094,460 0.907,461 0.872,462 0.785,463 0.903,464 0.801,465 0.964,466 1.201,467 0.82,468 1.048,469 1.092,470 1.068,471 0.82,472 1.024,473 0.856,474 0.995,475 0.903,476 0.983,477 0.779,478 1.078,479 0.733,480 0.979,481 0.807,482 0.931,483 1.516,484 0.992,485 0.978,486 0.903,487 2.016,488 0.927,489 1.217,490 0.721,491 0.733,492 0.722,493 1.918,494 0.69,495 5.5,496 0.144,497 3.556,498 2.41,499 1.64,500 1.136,501 0.376,502 0.43,503 0.228,504 0.161,505 10254,506 33790,507 2.094,508 36.4,510 12,513 1,515 3,517 1.708,518 1.953,519 3.442,520 -0.252,525 83.504,526 1.898,527 3.879,528 4.635,529 5.033,530 5.033,531 5.033,532 2.837,533 4.307,534 4.784,535 3.633,536 1373.11,537 8.299,538 18340.9,540 1,542 240.215,543 1.432,544 4.736,545 0.177,546 0.007,547 0.081,548 0.052,549 0.038,550 0.032,551 0.013,552 0.017,553 0.008,554 0.006,555 0.431,556 0.17,557 1,558 0.744,559 141.266,560 -0.023,561 -0.054,562 0.02,563 0.003,564 -0.032,565 0.007,566 0.007,567 -0.069,568 0.099,569 0.048,570 0.051,571 0.083,572 -0.105,573 0.09,574 0.024,575 0.153,576 -0.009,577 0.138,578 0.064,579 -0.198,580 0.211,581 -0.039,582 0.05,583 -0.133,584 0.111,585 -0.045,586 0.056,587 -0.001,588 0.092,589 0.032,590 0.17,591 -0.061,592 0.082,593 0.022,594 0.131,595 0.082,596 -0.312,597 0.056,598 -0.122,599 0.025,600 -0.328,601 -0.019,602 0.107,603 0.3,604 0.17,605 0.244,606 0.097,607 0.227,608 1.933,609 5.691,610 0.75,611 25.286,612 1.022,613 1.117,614 3.457,615 11.948,616 0.741,617 3.466,618 3.807,619 4.111,620 4.382,621 4.554,622 4.625,623 4.71,624 4.754,625 4.852,626 4.875,627 6.801,628 0.706,629 435.36,630 3.466,631 5.017,632 5.883,633 6.772,634 7.65,635 8.542,636 9.423,637 10.316,638 11.199,639 12.091,640 9.1,643 1,644 1,647 2,651 6,652 2,655 1,656 8,658 17,661 1,665 1,668 1,669 2,670 44,671 18,672 2,673 31,675 47,676 19,677 14,678 6,679 6,680 1,681 4,682 5,683 2,685 1,693 15,694 4,696 1,698 1,701 1,704 1,707 16,708 6,709 1,710 9,711 3,714 4,717 0.75,718 2,730 1,731 3,735 1,748 3,750 1,752 1,753 2,756 28,760 3,761 1,762 1,765 1,772 2,773 4.5,776 1,778 1,779 14.333,780 8.386,781 6.167,782 2.732,785 3.21,786 1.416,787 1.002,788 5.828,789 10.93,790 3.726,791 4.334,792 4.926,793 5.5,794 5.945,795 6.213,796 6.521,797 6.74,798 7.055,799 7.311,800 1,801 46,802 10.326,803 4.44,804 7.806,805 19.502,806 15.992,807 2.306,808 64.556,811 1,812 176.567,813 133.272,814 54.461,815 78.297,816 36.145,818 31.278,819 101.994,820 291.009,821 54.461,822 8.825,823 26.815,824 56.857,825 64.105,826 35.997,828 207.844,829 78.297,830 176.567,831 156.455,832 36.145,833 109.575,835 141.253,836 71.458,839 37.07,840 86.059,841 111.623,842 31.278,843 176.567,844 90.606,845 211.569,848 176.567,849 67.589,850 68.807,851 18.011,852 147.768,853 176.567,854 90.606,855 211.569,857 0.585,858 0.357,859 0.198,860 0.1,861 22,862 10,863 0.085,864 4,865 1,866 1.095,867 3.959,868 245.535,869 0.095,870 21,871 128.606,872 1,874 19.583,875 8.332,876 4.038,878 90.606,879 10.618,880 8.15,883 1.213,884 4.716,886 18.011,887 478.741,888 40.5,890 12.691,893 -0.266,895 44.971,896 49.126,897 0.348,898 0.71,899 0.849,900 0.922,901 0.922,902 0.922,903 4.972,904 1.491,905 5.878,906 5.104,907 4.489,908 5.021,909 1.737,910 6.713,911 4.324,912 6.183,913 1.268,914 7.454,915 3.769,916 4.111,917 4.844,918 0.325,919 7.664,920 3.829,921 7.497,922 1.114,923 9.13,924 3.187,925 6.107,926 7.211,927 1.622,928 10.773,929 5.812,930 8.848,931 0.997,932 10.865,933 2.707,934 6.553,935 7.858,936 0.268,937 12.554,938 6.154,939 10.23,940 0.709,941 12.637,942 2.255,943 8.014,944 9.69,945 1.587,946 15.176,947 7.599,948 11.634,949 0.399,950 14.435,951 1.699,952 8.832,953 10.717,954 0.188,955 17.294,956 8.325,957 13.055,958 -0.054,959 16.252,960 0.658,961 10.086,962 12.325,963 1.592,964 19.748,965 9.548,966 3.133,967 -0.327,968 18.083,969 -0.14,970 11.072,971 13.539,972 0.125,973 22.008,974 10.453,975 3.084,976 10.838,977 19.926,978 -0.757,979 12.245,980 15.045,981 1.624,982 24.401,983 11.583,984 2.731,985 10.333,986 21.777,987 4.198,988 13.307,989 16.353,990 0.082,991 26.721,992 12.571,993 2.45,994 8.557,995 23.635,996 4.015,997 14.449,998 17.811,999 1.676,1000 29.094,1001 13.661,1002 2.073,1003 7.264,1004 25.5,1005 3.549,1006 15.547,1007 19.169,1008 0.054,1009 31.439,1010 14.689,1011 1.879,1012 6.128,1013 27.368,1014 3.243,1015 16.678,1016 20.605,1017 1.742,1018 33.806,1019 15.764,1020 1.824,1021 5.301,1022 29.241,1023 2.481,1024 17.792,1025 21.99,1026 0.035,1027 36.162,1028 16.811,1029 9709,1030 17893,1031 20.69,1032 32.625,1033 46.763,1034 48.048,1035 48.455,1036 46.696,1037 46.305,1038 60.106,1039 5.437,1040 135.599,1041 42.284,1042 5.44,1043 5.585,1044 6.317,1045 5.189,1046 5.133,1047 7.198,1048 2.117,1049 17.621,1050 4.969,1051 13.721,1052 1.508,1053 1.55,1054 1.563,1055 1.506,1056 1.494,1057 1.939,1058 0.175,1059 4.374,1060 1.364,1061 4.013,1062 4.037,1063 4.279,1064 3.953,1065 7.429,1066 3.932,1067 3.941,1068 3.957,1069 3.989,1070 3.876,1071 5.092,1072 3.876,1073 3.685,1074 3.726,1075 3.931,1076 3.599,1077 4.9,1078 3.546,1079 3.56,1080 3.615,1081 3.582,1082 3.407,1083 4.844,1084 3.403,1085 3.349,1086 3.417,1087 3.487,1088 3.145,1089 4.632,1090 3.138,1091 3.176,1092 3.217,1093 3.206,1094 2.973,1095 4.275,1096 2.989,1097 2.901,1098 2.942,1099 3.067,1100 2.849,1101 4.121,1102 2.815,1103 2.874,1104 2.918,1105 3.054,1106 2.74,1107 4.115,1108 2.727,1109 0.145,1110 0.116,1111 0.217,1112 0.131,1113 0.101,1114 4.494,1115 0.135,1116 3.585,1117 0.034,1118 6.722,1119 0.35,1120 4.057,1121 0.096,1122 3.133,1123 4.198,1124 1.058,1125 10.838,1126 2.969,1127 1.934,1128 1.913,1129 2.032,1130 2.067,1131 1.229,1132 2.057,1133 1.887,1134 1.877,1135 1.926,1136 1.933,1137 1.086,1138 1.95,1139 1.575,1140 1.514,1141 1.816,1142 1.785,1143 0.978,1144 1.791,1145 1.368,1146 1.326,1147 1.662,1148 1.614,1149 0.881,1150 1.627,1151 1.296,1152 1.246,1153 1.351,1154 1.515,1155 0.504,1156 1.508,1157 1.147,1158 1.105,1159 1.159,1160 1.316,1161 0.266,1162 1.302,1163 0.917,1164 0.882,1165 1.147,1166 1.113,1167 0.257,1168 1.129,1169 0.849,1170 0.827,1171 1,1172 1.034,1173 0.112,1174 1.033,1175 4.143,1177 5.476,1178 2.398,1179 7.009,1180 4.595,1181 8.635,1182 6.581,1183 10.307,1185 2.074,1186 12.441,1190 2.289,1191 2.787,1192 5.665,1195 2.179,1199 31.045,1200 83.504,1201 170.666,1202 203.95,1203 221.46,1204 221.46,1205 221.46,1206 48.037,1207 7.72,1208 67.35,1209 95.59,1210 23,1211 12.62,1212 4.248,1213 3.392,1214 42.608,1215 117,1216 92,1217 0.18,1218 200.071,1219 341.87,1220 479.934,1221 25722,1222 4.5,1223 19.673,1224 0.703,1225 0.616,1226 21.027,1227 17.236,1228 13.563,1229 0.438,1230 0.331,1231 8.686,1232 12.058,1233 8.371,1234 6.875,1235 14.548,1236 10.248,1237 12.211,1238 0.278,1239 0.179,1240 13.622,1241 7.866,1242 10.637,1243 0.177,1244 0.098,1245 12.053,1246 5.871,1247 9.15,1248 0.116,1249 0.057,1250 11.011,1251 4.489,1252 6.836,1253 0.073,1254 0.028,1255 7.935,1256 2.676,1257 0.285,1258 95.188,1259 0.22,1260 26.805,1261 0.484,1262 150,1263 484.006,1264 222.053,1265 544.91,1266 727.22,1267 508,1268 179,1269 479.092,1270 239.219,1271 515.606,1272 762.83,1273 486,1274 4.6}
{0 CHEMBL563949,1 1.993,2 8.52,3 2.585,4 6.684,5 84.838,6 9.902,7 0.593,8 3.761,9 3.823,10 3.7,11 3.353,12 5.065,13 3.354,14 4.275,15 4.376,16 4.062,17 3.734,18 5.877,19 3.735,20 4.511,21 4.623,22 4.224,23 3.883,24 6.095,25 3.876,26 4.62,27 4.744,28 4.226,29 3.912,30 6.11,31 3.906,32 4.666,33 4.804,34 4.169,35 3.86,36 6.315,37 3.865,38 4.63,39 4.773,40 3.968,41 3.751,42 6.282,43 3.744,44 4.444,45 4.639,46 3.702,47 3.507,48 6.16,49 3.495,50 4.162,51 4.377,52 3.312,53 3.14,54 5.668,55 3.141,56 0.243,57 0.689,58 5.782,59 3.765,60 50.954,61 3.05,62 0.619,63 1.102,64 8.994,65 6.054,66 108.727,67 5.622,68 0.928,69 1.504,70 16.213,71 8.009,72 163.588,73 6.178,74 0.929,75 1.412,76 21.174,77 9.068,78 168.033,79 7.143,80 1.226,81 1.325,82 24.163,83 9.087,84 225.091,85 7.761,86 1.295,87 1.196,88 19.865,89 8.268,90 239.628,91 7.244,92 1.063,93 1.076,94 19.394,95 7.324,96 197.292,97 8.42,98 0.769,99 0.961,100 14.252,101 5.655,102 125.341,103 6.022,104 52,105 41,106 0.353,107 0.709,108 0.806,109 0.872,110 0.881,111 0.881,112 3.269,113 0.949,114 -3.83,115 -3.79,116 -3.6,118 43.2,119 1,120 1,133 5,134 2,135 3,136 1,142 1,145 1,147 1,150 1,153 1,154 5,155 1,157 4,158 6,160 1,162 1,164 5,165 1,167 11,170 1,171 5,172 1,174 2,175 13,176 1,179 1,180 2,181 2,183 1,184 8,185 1,187 1,189 2,192 7,193 1,195 1,196 4,197 2,198 1,200 1,202 7,205 2,208 2,211 4,212 2,215 2,219 2,222 1,223 1,226 1,230 1,236 878,237 16.032,238 16.032,239 16.032,240 16.032,241 16.032,242 13.579,243 11.489,244 9.086,245 16.405,246 13.269,247 13.269,248 13.269,249 13.269,250 13.269,251 9.544,252 9.826,253 4.263,254 13.953,255 3.217,256 1.209,257 0.659,258 0.291,259 0.237,260 0.237,261 3.936,264 1,265 1,266 1,267 445,268 3.742,270 52.228,271 140.517,274 99.129,277 1.261,278 61.263,279 1,280 1,281 1,282 1,283 0.4,285 1,286 1,287 0.77,288 58,289 213,290 5.079,291 4.728,292 7.822,293 4.575,294 3.639,295 5.049,296 2.397,297 14.46,298 3.401,299 4.54,300 3.662,301 6.823,302 4.043,303 3.085,304 4.412,305 0.242,306 11.069,307 2.933,308 4.104,309 3.308,310 5.947,311 3.636,312 2.701,313 3.721,315 8.15,316 2.506,317 3.666,318 3.232,319 5.691,320 3.277,321 2.296,322 3.042,324 7.154,325 2.238,326 3.452,327 2.29,328 5.599,329 3.016,330 2.047,331 2.753,333 6.614,334 1.97,335 3.277,336 2.197,337 4.686,338 2.8,339 1.835,340 2.52,342 4.849,343 1.747,344 3.004,345 2.103,346 4.557,347 2.418,348 1.445,349 2.194,351 4.279,352 1.398,353 2.83,354 1.564,355 4.042,356 2.352,357 1.414,358 1.984,360 3.51,361 1.323,362 2.819,363 1.39,364 3.671,365 2.332,366 1.354,367 1.946,369 2.955,370 1.309,371 2.261,372 1.157,373 3.647,374 1.782,375 0.819,376 1.139,378 2.107,379 0.784,380 1.371,381 0.796,382 3.255,383 1.052,384 0.123,385 0.145,387 0.285,388 0.107,389 1.326,390 0.581,391 2.795,392 0.932,393 0.026,394 0.032,395 0.064,396 0.024,397 1,398 0.356,399 2.509,400 0.422,401 -0.565,402 -0.704,403 -1.464,404 -0.541,405 0.835,406 0.09,407 2.375,408 0.275,409 -0.648,410 -0.844,411 -1.713,412 -0.575,413 0.743,414 -0.191,415 2.241,416 0.096,417 -0.885,418 -1.186,419 -2,420 -0.846,421 11.538,422 0.462,423 0.942,424 0.038,425 34.5,426 1.38,427 18.5,428 0.74,429 16,430 0.64,431 18.743,432 0.75,433 27.462,434 0.742,435 29.358,436 1.174,437 6.985,438 0.279,439 4.745,440 0.19,441 0.208,442 0.072,443 0.381,445 2,447 0.579,448 1.029,449 0.731,450 1.194,451 0.649,452 0.868,453 0.527,454 0.937,455 0.651,456 0.875,457 0.541,458 0.827,459 0.979,460 1.032,461 1.138,462 1.097,463 0.903,464 0.949,465 0.985,466 0.974,467 1.272,468 1.236,469 0.977,470 1.076,471 0.872,472 0.736,473 1.142,474 1.072,475 0.944,476 1.007,477 0.945,478 0.731,479 1.034,480 0.98,481 1.054,482 1.184,483 0.643,484 0.854,485 0.697,486 0.858,487 0.632,488 0.99,489 1.167,490 1.253,491 0.806,492 0.932,493 1.126,494 1.095,495 6.5,496 0.07,497 4.222,498 3.354,499 2.411,500 1.421,501 0.681,502 0.457,503 0.241,504 0.141,505 5692,506 25190,507 1.96,508 32.4,510 5,512 1,513 1,514 5,517 1.689,518 1.754,519 3.061,520 -0.198,521 1,522 1,525 73.73,526 1.993,527 4.001,528 4.551,529 4.919,530 4.973,531 4.973,532 2.504,533 4.244,534 4.613,535 3.183,536 954.806,537 8.028,538 10950.2,539 1,540 1,541 1,542 192.75,543 1.757,544 4.518,545 0.241,546 0.012,547 0.103,548 0.075,549 0.054,550 0.033,551 0.02,552 0.016,553 0.013,554 0.013,555 0.579,556 0.33,557 1,558 1.071,559 116.779,560 -0.006,561 -0.105,562 0.16,563 -0.081,564 -0.097,565 0.024,566 0.161,567 -0.034,568 0.157,569 0.088,570 0.14,571 0.069,572 -0.116,573 -0.002,574 -0.088,575 0.008,576 -0.031,577 -0.031,578 -0.164,579 -0.083,580 -0.187,581 -0.15,582 -0.113,583 -0.136,584 0.007,585 0.054,586 -0.104,587 -0.067,588 -0.014,589 -0.042,590 -0.014,591 0.009,592 -0.156,593 -0.1,594 -0.087,595 -0.221,596 0.242,597 -0.084,598 0.214,599 -0.005,600 0.235,601 0.105,602 -0.077,603 -0.169,604 0.105,605 -0.08,606 -0.099,607 0.005,608 5.213,609 5.918,610 0.6,611 18.864,612 1.052,613 1.133,614 2.6,615 6.761,616 0.701,617 3.332,618 3.738,619 4.043,620 4.357,621 4.615,622 4.7,623 4.796,624 4.796,625 4.71,626 4.7,627 5.122,628 0.703,629 366.37,630 3.332,631 4.92,632 5.802,633 6.732,634 7.646,635 8.584,636 9.511,637 10.452,638 11.386,639 12.329,640 5.4,645 1,647 1,650 2,651 6,652 1,656 5,657 1,658 16,669 2,670 37,671 19,672 1,673 27,675 39,676 16,677 13,678 3,679 3,681 3,682 4,685 1,691 1,693 14,694 2,696 3,697 1,698 3,701 1,703 1,704 1,705 2,707 12,708 7,709 1,710 9,711 1,714 2,717 0.667,718 4,726 1,727 1,730 1,731 2,734 1,739 1,746 1,748 2,750 1,752 1,754 2,756 25,758 1,759 1,760 1,772 2,773 10.8,775 1,776 3,779 14.25,780 7.052,781 5.333,782 2.01,785 3.113,786 1.439,787 0.983,788 4.253,789 10.205,790 3.664,791 4.391,792 5.015,793 5.68,794 6.259,795 6.62,796 7.009,797 7.314,798 7.468,799 7.794,800 0.833,801 45,802 9.79,803 4.912,804 8.61,805 16.541,806 13.896,807 3.11,808 77.75,812 129.482,813 104.529,814 17.079,816 112.141,817 29.92,818 5.807,819 98.722,820 241.623,821 46.999,822 8.825,823 2.535,824 53.189,825 143.323,826 34.892,827 32.677,828 117.711,830 129.482,831 115.801,832 142.061,833 5.807,835 159.402,836 112.141,839 22.416,840 76.599,841 22.593,843 159.402,844 129.22,845 104.529,847 5.807,848 129.482,849 33.468,850 65.547,852 158.847,853 129.482,854 159.14,855 104.529,857 0.604,858 0.356,859 0.195,860 0.118,861 21,862 11,863 0.103,864 4,865 1,866 1.133,867 3.381,868 219.936,869 0.133,870 15,871 114.096,873 1,874 17.371,875 6.121,876 2.871,877 0.398,878 158.847,879 6.722,880 4.025,884 -2.479,885 0.854,886 42.683,887 393.152,888 38,889 -4.296,890 36.941,893 -1.128,895 38.916,896 41.925,897 0.383,898 0.768,899 0.874,900 0.944,901 0.955,902 0.955,903 4.934,904 1.414,905 5.872,906 4.279,907 4.419,908 5.078,909 2.35,910 6.823,911 4.317,912 6.234,913 1.354,914 7.534,915 3.51,916 4.369,917 5.33,918 2.243,919 8.191,920 4.176,921 7.629,922 0.819,923 9.314,924 2.955,925 6.188,926 7.522,927 3.742,928 11.339,929 5.969,930 9.068,931 0.123,932 11.164,933 2.107,934 6.929,935 8.57,936 4.213,937 13.543,938 6.606,939 10.544,940 0.026,941 13.061,942 0.285,943 8.341,944 10.345,945 5.351,946 16.327,947 7.984,948 12.048,949 -0.565,950 14.991,951 0.064,952 9.403,953 11.72,954 6.05,955 18.828,956 8.952,957 13.574,958 -0.648,959 16.947,960 -1.464,961 10.699,962 13.366,963 7.042,964 21.519,965 10.198,966 3.639,967 -0.885,968 18.922,969 -1.713,970 11.887,971 14.873,972 7.838,973 24.124,974 11.304,975 3.085,976 14.46,977 20.912,978 -2,979 13.156,980 16.48,981 8.766,982 26.792,983 12.513,984 2.701,985 11.069,986 22.915,987 5.049,988 14.395,989 18.041,990 9.604,991 29.435,992 13.677,993 2.296,994 8.15,995 24.926,996 4.412,997 15.662,998 19.64,999 10.503,1000 32.1,1001 14.879,1002 2.047,1003 7.154,1004 26.946,1005 3.721,1006 16.924,1007 21.224,1008 11.361,1009 34.757,1010 16.068,1011 1.835,1012 6.614,1013 28.972,1014 3.042,1015 18.196,1016 22.824,1017 12.247,1018 37.424,1019 17.273,1020 1.445,1021 4.849,1022 31.003,1023 2.753,1024 19.469,1025 24.421,1026 13.113,1027 40.088,1028 18.475,1029 5755,1030 12237,1031 16.819,1032 25.921,1033 41.914,1034 43.998,1035 44.666,1036 41.627,1037 41.568,1038 57.872,1039 5.279,1040 130.992,1041 39.479,1042 5.859,1043 6.728,1044 7.5,1045 5.645,1046 5.639,1047 8.049,1048 4.03,1049 23.114,1050 5.401,1051 16.078,1052 1.552,1053 1.63,1054 1.654,1055 1.542,1056 1.54,1057 2.143,1058 0.196,1059 4.852,1060 1.462,1061 4.233,1062 4.237,1063 4.779,1064 4.175,1065 8.24,1066 4.127,1067 3.941,1068 3.95,1069 3.993,1070 3.885,1071 8.161,1072 3.867,1073 3.612,1074 3.605,1075 3.756,1076 3.517,1077 7.716,1078 3.464,1079 3.54,1080 3.552,1081 3.466,1082 3.371,1083 7.474,1084 3.373,1085 3.294,1086 3.32,1087 3.226,1088 3.081,1089 6.999,1090 3.091,1091 2.913,1092 2.983,1093 2.811,1094 2.734,1095 6.351,1096 2.734,1097 2.896,1098 2.955,1099 2.725,1100 2.733,1101 4.982,1102 2.718,1103 2.789,1104 2.854,1105 2.695,1106 2.565,1107 4.476,1108 2.595,1109 0.188,1110 0.175,1111 0.29,1112 0.169,1113 0.135,1114 5.079,1115 0.187,1116 4.728,1117 0.089,1118 7.822,1119 0.536,1120 4.575,1121 0.126,1122 3.639,1123 5.049,1124 2.397,1125 14.46,1126 3.401,1127 1.975,1128 1.988,1129 1.972,1130 2.07,1131 1.195,1132 2.091,1133 1.874,1134 1.851,1135 1.935,1136 1.969,1137 1.145,1138 1.97,1139 1.678,1140 1.649,1141 1.798,1142 1.842,1143 0.92,1144 1.834,1145 1.378,1146 1.384,1147 1.547,1148 1.602,1149 0.665,1150 1.588,1151 1.2,1152 1.17,1153 1.172,1154 1.426,1155 0.504,1156 1.463,1157 0.879,1158 0.852,1159 1.101,1160 1.098,1161 0.171,1162 1.082,1163 0.858,1164 0.804,1165 1.05,1166 1.068,1167 0.135,1168 1.078,1169 0.751,1170 0.68,1171 0.88,1172 1.005,1174 0.991,1175 4.007,1177 5.389,1178 2.398,1179 6.969,1180 4.949,1181 8.642,1182 7.235,1183 10.368,1185 1.442,1187 26.59,1189 9.076,1190 -0.395,1199 26.017,1200 73.73,1201 148.021,1202 168.385,1203 181.995,1204 183.995,1205 183.995,1206 82.547,1207 7.093,1208 89.26,1209 97.64,1210 17,1211 12.825,1212 4.322,1213 3.585,1214 41.357,1215 74,1216 82,1217 0.279,1218 161.749,1219 282.27,1220 386.429,1221 9499,1222 5.4,1223 18.353,1224 0.734,1225 0.549,1226 16.863,1227 13.718,1228 11.73,1229 0.434,1230 0.316,1231 7.087,1232 10.344,1233 6.826,1234 5.604,1235 11.714,1236 8.545,1237 11.576,1238 0.282,1239 0.174,1240 11.728,1241 7.141,1242 9.381,1243 0.168,1244 0.1,1245 9.726,1246 5.58,1247 7.87,1248 0.102,1249 0.055,1250 8.884,1251 4.229,1252 6.594,1253 0.066,1254 0.03,1255 7.313,1256 3.021,1257 0.415,1258 83.086,1259 0.244,1260 23.408,1261 0.842,1262 136,1263 613.729,1264 197.142,1265 552.988,1266 717.15,1267 504,1268 165,1269 477.24,1270 235.938,1271 504.318,1272 744.44,1273 472,1274 5}
{0 CHEMBL591431,1 1.809,2 11.655,3 5.823,4 33.902,5 118.435,6 10.418,7 0.548,8 3.908,9 3.978,10 3.782,11 3.621,12 5.135,13 3.566,14 4.391,15 4.492,16 4.32,17 4.035,18 5.708,19 3.945,20 4.646,21 4.788,22 4.282,23 4.132,24 5.857,25 4.039,26 4.763,27 4.921,28 4.397,29 4.111,30 6.073,31 4.008,32 4.708,33 4.882,34 4.203,35 4.058,36 5.961,37 3.938,38 4.567,39 4.711,40 4.292,41 4.08,42 5.776,43 3.95,44 4.573,45 4.673,46 4.456,47 4.078,48 5.968,49 3.939,50 4.512,51 4.657,52 4.165,53 3.881,54 5.869,55 3.743,56 0.124,57 0.527,58 3.993,59 3.625,60 14.84,61 3.986,62 0.326,63 0.858,64 15.846,65 6.865,66 43.473,67 7.595,68 0.384,69 1.095,70 17.459,71 8.825,72 46.576,73 10.126,74 0.695,75 1.246,76 32.987,77 11.242,78 81.085,79 11.733,80 0.761,81 1.151,82 33.416,83 10.923,84 101.793,85 11.286,86 0.415,87 1,88 27.259,89 9.994,90 54.957,91 10.768,92 0.659,93 0.958,94 36.118,95 9.941,96 72.651,97 8.928,98 0.744,99 0.892,100 35.771,101 9.532,102 94.319,103 8.928,104 51,105 44,106 0.309,107 0.639,108 0.789,109 0.873,110 0.883,111 0.883,112 3.408,113 1.022,114 -6,115 -5.86,116 -5.45,118 46.7,119 1,120 1,125 1,133 8,134 5,135 1,143 2,145 2,150 1,153 1,154 13,155 1,158 2,160 2,162 4,164 23,165 2,167 3,170 5,171 17,172 2,175 7,179 7,180 14,181 1,184 5,189 4,192 13,196 4,200 2,201 1,202 16,203 1,206 3,208 1,209 1,210 2,211 18,215 2,216 1,219 2,222 17,223 1,225 1,226 1,228 1,230 1,233 13,234 1,236 1445,237 18.861,238 18.861,239 18.861,240 18.861,241 18.861,242 16.423,243 21.72,244 10.887,245 19.521,246 15.24,247 15.24,248 15.24,249 15.24,250 15.24,251 11.552,252 28.324,253 5.128,254 16.451,255 3.683,256 1.756,257 0.878,258 0.389,259 0.328,260 0.328,261 4.081,262 1,263 2,266 1,267 709,268 3.873,270 91.854,271 204.923,277 1.781,278 39.454,280 0.75,281 0.67,282 1,283 0.6,284 0.5,285 1,286 1,287 0.79,288 62.5,289 338,290 4.589,291 3.721,292 6.872,293 4.172,294 3.237,295 4.302,296 1.437,297 11.395,298 3.049,299 4.203,300 3.577,301 6.076,302 3.857,303 2.867,304 3.785,305 1.081,306 8.741,307 2.836,308 4.035,309 3.27,310 5.872,311 3.628,312 2.652,313 3.64,314 0.68,315 8.015,316 2.589,317 3.875,318 3.014,319 5.657,320 3.57,321 2.601,322 3.174,323 0.473,324 7.609,325 2.507,326 3.592,327 2.972,328 5.424,329 3.164,330 2.237,331 2.87,333 6.772,334 2.036,335 3.323,336 2.676,337 4.925,338 2.864,339 1.992,340 2.573,342 5.504,343 1.67,344 3.12,345 2.471,346 4.723,347 2.609,348 1.772,349 2.303,351 4.991,352 1.491,353 2.909,354 2.079,355 4.429,356 2.46,357 1.531,358 1.966,360 4.114,361 1.281,362 2.697,363 1.832,364 4.033,365 2.191,366 1.259,367 1.759,369 3.178,370 1.142,371 2.619,372 1.405,373 3.651,374 2.106,375 1.158,376 1.632,378 2.602,379 1.037,380 2.5,381 1.271,382 3.483,383 2,384 1,385 1.5,387 2.41,388 1,389 2.336,390 1,391 3.414,392 1.923,393 0.953,394 1.231,395 2.275,396 0.865,397 1.361,398 0.76,399 3.076,400 1.046,401 0.115,402 0.135,403 0.325,404 0.099,405 0.967,406 0.464,407 2.596,408 0.585,409 -0.385,410 -0.476,411 -0.88,412 -0.254,413 0.928,414 0.272,415 2.345,416 0.433,417 -0.436,418 -0.544,419 -1.051,420 -0.275,421 14.876,422 0.513,423 0.915,424 0.032,425 36.5,426 1.259,427 19,428 0.655,429 17.5,430 0.603,431 28.06,432 0.968,433 30.124,434 0.669,435 27.443,436 0.946,437 7.141,438 0.246,439 6.616,440 0.228,441 0.245,443 0.37,447 0.663,448 0.915,449 0.548,450 0.675,451 0.654,452 0.709,453 0.45,454 1.023,455 0.484,456 0.732,457 0.442,458 0.813,459 0.822,460 1.124,461 0.757,462 0.872,463 0.782,464 0.986,465 0.916,466 1.209,467 0.852,468 1.094,469 0.995,470 1.067,471 1.149,472 0.812,473 1.03,474 0.877,475 1.202,476 0.932,477 0.905,478 1.044,479 1.105,480 1.037,481 0.812,482 0.928,483 1.358,484 1.11,485 1.497,486 1.241,487 1.293,488 1.15,489 1.386,490 0.892,491 1.396,492 1.13,493 1.355,494 1.094,495 7,496 0.173,497 3.778,498 2.917,499 1.614,500 1.222,501 0.847,502 0.569,503 0.325,504 0.202,505 10298,506 41291,507 1.973,508 35.6,509 2,510 9,513 2,515 3,517 1.721,518 1.794,519 3.495,520 0.262,525 81.385,526 1.809,527 3.736,528 4.614,529 5.103,530 5.164,531 5.164,532 2.935,533 4.582,534 4.827,535 3.678,536 1493.19,537 8.415,538 20356.7,542 247.133,543 1.556,544 4.756,545 0.226,546 0.008,547 0.086,548 0.065,549 0.038,550 0.032,551 0.021,552 0.015,553 0.011,554 0.008,555 0.509,556 0.17,557 0.75,558 0.83,559 147.777,560 -0.072,561 0.098,562 -0.004,563 0.096,564 -0.087,565 0.065,566 0.186,567 -0.003,568 0.205,569 0.13,570 0.168,571 0.045,572 -0.068,573 -0.137,574 -0.004,575 -0.035,576 -0.045,577 -0.068,578 0.042,579 -0.195,580 0.06,581 -0.125,582 -0.006,583 -0.086,584 -0.127,585 0.193,586 -0.058,587 0.11,588 -0.131,589 0.08,590 -0.076,591 -0.054,592 -0.028,593 0.035,594 -0.016,595 0.086,596 -0.169,597 -0.095,598 -0.172,599 -0.12,600 -0.162,601 -0.214,602 -0.164,603 0.088,604 -0.158,605 -0.047,606 -0.16,607 -0.087,608 2.668,609 5.948,610 0.586,611 28.499,612 1.024,613 1.103,614 4.775,615 22.8,616 0.765,617 3.466,618 3.807,619 4.043,620 4.277,621 4.407,622 4.454,623 4.511,624 4.5,625 4.585,626 4.585,627 6.888,628 0.724,629 468.8,630 3.466,631 5.017,632 5.861,633 6.742,634 7.602,635 8.487,636 9.356,637 10.242,638 11.116,639 12.005,640 2.2,644 1,651 8,655 1,656 8,658 17,661 1,663 1,669 3,670 45,671 19,672 2,673 31,675 47,676 21,677 16,678 4,679 8,680 2,681 3,682 3,683 3,685 1,691 2,693 18,694 3,696 2,698 2,701 2,707 16,708 4,709 2,710 8,711 4,714 1,717 1,718 3,730 1,731 2,746 1,748 3,750 1,752 1,753 3,756 29,759 1,760 1,761 1,764 1,769 1,772 3,773 6.7,775 1,776 2,779 16.167,780 8.379,781 6.333,782 2.56,785 3.062,786 1.424,787 0.959,788 7.22,789 10.284,790 3.75,791 4.36,792 4.897,793 5.43,794 5.818,795 5.957,796 6.193,797 6.38,798 6.761,799 6.979,800 0.875,801 45,802 10.723,803 4.636,804 8.057,805 19.807,806 16.16,807 2.557,808 74.167,812 164.795,813 146.837,814 18.011,815 117.446,816 92.973,818 31.278,819 115.56,820 375.215,821 18.011,822 8.825,823 20.545,824 75.81,825 98.588,826 22.775,827 78.297,828 196.073,829 39.149,830 164.795,831 133.57,832 92.973,833 148.724,835 129.482,836 128.287,839 32.717,840 100.853,841 39.149,842 109.575,843 164.795,844 110.984,845 264.283,848 164.795,849 62.202,850 84.635,851 18.011,852 210.419,853 164.795,854 110.984,855 264.283,857 0.592,858 0.343,859 0.178,860 0.09,861 20,862 11,863 0.128,864 6,866 1,867 3.933,868 248.132,870 17,871 136.881,872 1,874 22.096,875 9.476,876 5.312,878 110.984,879 13.672,883 1.147,884 4.243,886 60.694,887 540.063,888 41.5,890 23.937,893 -1.344,895 46.084,896 49.615,897 0.329,898 0.68,899 0.84,900 0.929,901 0.94,902 0.94,903 4.992,904 1.531,905 5.872,906 4.991,907 4.489,908 5.047,909 2.179,910 6.691,911 4.364,912 6.221,913 1.259,914 7.447,915 4.114,916 4.205,917 4.934,919 7.624,920 3.996,921 7.538,922 1.158,923 9.119,924 3.178,925 6.098,926 7.232,927 2.548,928 10.71,929 5.906,930 8.887,931 1,932 10.847,933 2.602,934 6.581,935 7.89,937 12.478,938 6.324,939 10.265,940 0.953,941 12.61,942 2.41,943 7.998,944 9.704,945 3.091,946 15.105,947 7.74,948 11.664,949 0.115,950 14.399,951 2.275,952 8.83,953 10.732,955 17.246,956 8.508,957 13.08,958 -0.385,959 16.208,960 0.325,961 10.065,962 12.339,963 3.717,964 19.724,965 9.724,966 3.237,967 -0.436,968 18.033,969 -0.88,970 11.06,971 13.558,973 22.03,974 10.656,975 2.867,976 11.395,977 19.872,978 -1.051,979 12.229,980 15.07,981 4.386,982 24.465,983 11.789,984 2.652,985 8.741,986 21.722,987 4.302,988 13.303,989 16.39,991 26.842,992 12.799,993 2.601,994 8.015,995 23.583,996 3.785,997 14.451,998 17.86,999 5.08,1000 29.268,1001 13.9,1002 2.237,1003 7.609,1004 25.451,1005 3.64,1006 15.564,1007 19.235,1009 31.675,1010 14.949,1011 1.992,1012 6.772,1013 27.328,1014 3.174,1015 16.709,1016 20.687,1017 5.787,1018 34.102,1019 16.04,1020 1.772,1021 5.504,1022 29.211,1023 2.87,1024 17.843,1025 22.094,1027 36.523,1028 17.109,1029 10171,1030 20515,1031 19.709,1032 34.443,1033 47.514,1034 49.12,1035 49.466,1036 47.191,1037 46.747,1038 61.74,1039 7.341,1040 135.86,1041 43.202,1042 5.48,1043 5.721,1044 6.428,1045 5.295,1046 5.237,1047 7.302,1048 2.873,1049 18.482,1050 5.049,1051 18.539,1052 1.533,1053 1.585,1054 1.596,1055 1.522,1056 1.508,1057 1.992,1058 0.237,1059 4.383,1060 1.394,1061 4.017,1062 4.03,1063 4.417,1064 4.016,1065 7.475,1066 3.969,1067 3.934,1068 3.954,1069 3.991,1070 3.882,1071 7.429,1072 3.875,1073 3.818,1074 3.819,1075 3.898,1076 3.813,1077 6.351,1078 3.777,1079 3.526,1080 3.569,1081 3.558,1082 3.354,1083 4.977,1084 3.36,1085 3.214,1086 3.212,1087 3.483,1088 3.033,1089 4.913,1090 3.015,1091 3.11,1092 3.155,1093 3.365,1094 2.948,1095 4.7,1096 2.958,1097 3.033,1098 3.06,1099 3.222,1100 2.838,1101 4.589,1102 2.837,1103 2.877,1104 2.925,1105 3.008,1106 2.79,1107 4.33,1108 2.763,1109 0.148,1110 0.12,1111 0.222,1112 0.135,1113 0.104,1114 4.589,1115 0.139,1116 3.721,1117 0.046,1118 6.872,1119 0.368,1120 4.172,1121 0.098,1122 3.237,1123 4.302,1124 1.437,1125 11.395,1126 3.049,1127 1.939,1128 1.916,1129 2.047,1130 2.032,1131 1.215,1132 2.037,1133 1.917,1134 1.896,1135 2.015,1136 1.983,1137 1.194,1138 2.001,1139 1.621,1140 1.607,1141 1.746,1142 1.777,1143 0.879,1144 1.763,1145 1.453,1146 1.415,1147 1.632,1148 1.598,1149 0.829,1150 1.616,1151 1.307,1152 1.335,1153 1.316,1154 1.38,1155 0.526,1156 1.395,1157 1.023,1158 1.012,1159 1.186,1160 1.34,1161 0.279,1162 1.298,1163 0.975,1164 0.944,1165 1.181,1166 1.062,1167 0.233,1168 1.129,1169 0.886,1170 0.824,1171 1.086,1172 1.034,1173 0.218,1174 1.107,1175 4.143,1177 5.476,1178 2.398,1179 6.987,1180 4.844,1181 8.578,1182 7.002,1183 10.209,1185 1.812,1186 18.713,1189 9.006,1190 0.424,1191 2.904,1194 -0.348,1199 32.577,1200 81.385,1201 168.114,1202 207.624,1203 229.624,1204 232.379,1205 232.379,1206 76.027,1207 7.222,1208 66.4,1209 94.64,1210 17,1211 12.538,1212 4.322,1213 3.524,1214 52.445,1215 117,1216 125,1217 0.215,1218 215.668,1219 377.19,1220 517.99,1221 13179,1222 6.7,1223 21.129,1224 0.729,1225 0.631,1226 22.983,1227 18.293,1228 13.757,1229 0.444,1230 0.341,1231 8.712,1232 12.311,1233 8.297,1234 6.846,1235 15.031,1236 10.562,1237 12.914,1238 0.294,1239 0.207,1240 15.03,1241 9.093,1242 10.241,1243 0.183,1244 0.113,1245 11.923,1246 6.341,1247 8.567,1248 0.121,1249 0.068,1250 10.739,1251 4.838,1252 6.051,1253 0.075,1254 0.037,1255 7.623,1256 3.037,1257 0.338,1258 98.291,1259 0.225,1260 27.595,1261 0.587,1262 150,1263 493.424,1264 243.917,1265 590.099,1266 754.54,1267 542,1268 175,1269 448.606,1270 235.536,1271 503.905,1272 738.64,1273 471,1274 6.65}
{0 CHEMBL597997,1 1.714,2 12.97,3 5.442,4 29.613,5 122.356,6 8.61,7 0.472,8 4.111,9 4.203,10 3.813,11 3.735,12 5.306,13 3.705,14 4.642,15 4.78,16 4.278,17 4.121,18 6.266,19 4.07,20 4.829,21 4.977,22 4.26,23 4.263,24 6.073,25 4.194,26 5.022,27 5.199,28 4.3,29 4.274,30 6.317,31 4.209,32 5.026,33 5.242,34 4.124,35 4.228,36 6.206,37 4.131,38 4.916,39 5.129,40 4.205,41 4.26,42 5.96,43 4.142,44 4.942,45 5.117,46 4.155,47 4.252,48 6.145,49 4.137,50 4.982,51 5.212,52 4.041,53 4.172,54 6.081,55 4.045,56 0.15,57 0.937,58 8.958,59 5.703,60 33.939,61 6.046,62 0.911,63 1.905,64 19.756,65 9.894,66 170.249,67 10.93,68 0.411,69 1.799,70 28.066,71 12.512,72 57.481,73 13.501,74 0.743,75 2.104,76 33.515,77 13.984,78 117.9,79 15.257,80 0.992,81 1.906,82 37.088,83 13.88,84 172.259,85 15.636,86 0.577,87 1.703,88 33.738,89 13.797,90 108.268,91 16.513,92 0.733,93 1.885,94 34.482,95 14.209,96 122.968,97 15.192,98 0.784,99 1.789,100 37.243,101 14.257,102 140.247,103 16.982,104 69,105 55,106 0.281,107 0.609,108 0.722,109 0.776,110 0.822,111 0.822,112 3.532,113 0.936,114 -6.25,115 -6.09,116 -5.66,118 45.5,119 2,120 3,126 1,127 1,133 8,134 6,142 2,145 2,150 1,153 1,154 16,155 1,158 2,160 2,162 5,164 24,165 2,167 3,170 5,171 19,172 2,175 8,179 7,180 16,181 1,184 5,189 4,192 15,196 4,200 2,201 1,202 20,203 2,206 5,208 1,209 1,210 4,211 19,215 1,216 1,219 1,222 18,223 1,225 1,226 1,228 1,230 1,233 17,234 1,236 2092,237 21.203,238 21.203,239 21.203,240 21.203,241 21.203,242 18.869,243 26.961,244 11.776,245 21.708,246 17.67,247 17.67,248 17.67,249 17.67,250 17.67,251 14.093,252 37.608,253 5.479,254 18.544,255 4.068,256 2.069,257 1.378,258 1.05,259 0.768,260 0.768,261 4.207,265 1,266 1,267 911,268 4.583,269 65.836,270 108.448,271 237.155,277 2.092,278 57.563,280 0.75,281 0.67,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.75,288 74,289 428,290 4.695,291 4.46,292 7.714,293 4.584,294 3.603,295 4.305,296 3.825,297 14.283,298 3.532,299 4.557,300 3.912,301 7.111,302 4.192,303 3.314,304 3.962,305 1.437,306 11.658,307 3.115,308 4.436,309 3.588,310 6.866,311 4.159,312 3.212,313 3.83,314 1.081,315 11.365,316 2.875,317 4.091,318 3.563,319 5.921,320 3.732,321 2.731,322 3.503,323 0.68,324 8.176,325 2.723,326 3.819,327 3.097,328 5.653,329 3.472,330 2.489,331 3.163,332 0.473,333 7.409,334 2.423,335 3.576,336 2.676,337 5.306,338 3.177,339 2.21,340 2.853,342 6.59,343 2.111,344 3.306,345 2.245,346 5.167,347 2.925,348 1.93,349 2.517,351 5.667,352 1.913,353 3.153,354 2.198,355 4.873,356 2.74,357 1.812,358 2.326,360 5.158,361 1.65,362 2.921,363 1.984,364 4.583,365 2.524,366 1.592,367 2.029,369 4.632,370 1.438,371 2.679,372 1.662,373 4.352,374 2.184,375 1.233,376 1.664,378 3.581,379 1.165,380 2.615,381 1.619,382 3.827,383 2.164,384 1.173,385 1.599,387 2.844,388 1.119,389 2.5,390 1,391 3.532,392 2,393 1,394 1.5,395 2.275,396 1,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,403 2.275,404 1,405 1.454,406 0.812,407 3.414,408 1.327,409 0.355,410 0.377,411 0.96,412 0.343,413 1.387,414 0.62,415 3.104,416 1.1,417 0.101,418 0.122,419 0.265,420 0.1,421 15.59,422 0.472,423 1.259,424 0.038,425 39,426 1.182,427 19,428 0.576,429 20,430 0.606,431 33.305,432 1.009,433 36.01,434 0.655,435 33.388,436 1.012,437 7.626,438 0.231,439 7.873,440 0.239,441 0.183,442 0.064,443 0.321,444 3,447 0.581,448 0.831,449 0.677,450 0.863,451 0.606,452 0.848,453 0.331,454 0.708,455 0.661,456 0.859,457 0.337,458 0.874,459 0.628,460 0.958,461 1.174,462 1.269,463 0.567,464 1.13,465 0.925,466 1.068,467 1.049,468 1.203,469 0.905,470 1.208,471 0.974,472 0.695,473 1.015,474 0.799,475 0.983,476 0.95,477 0.478,478 0.616,479 0.861,480 0.884,481 0.496,482 0.886,483 0.804,484 0.921,485 1.385,486 1.312,487 0.824,488 1.301,489 0.712,490 0.738,491 0.945,492 0.922,493 0.727,494 1,495 10,496 0.174,497 5.222,498 3.389,499 1.944,500 1.652,501 0.981,502 0.742,503 0.603,504 0.416,505 15160,506 55685,507 1.994,508 40,509 2,510 8,513 2,514 6,515 4,517 1.753,518 1.8,519 3.611,520 0.192,525 94.261,526 1.714,527 3.713,528 4.404,529 4.731,530 5.013,531 5.013,532 3.08,533 4.476,534 5.011,535 3.836,536 2025.22,537 8.784,538 30349.5,542 317.975,543 1.792,544 4.926,545 0.278,546 0.006,547 0.1,548 0.063,549 0.038,550 0.038,551 0.02,552 0.017,553 0.015,554 0.01,555 0.585,556 0.17,557 0.75,558 0.894,559 175.617,560 -0.041,561 0.05,562 0.023,563 0.104,564 -0.081,565 0.075,566 0.426,567 0.289,568 0.2,569 0.141,570 0.403,571 0.081,572 -0.037,573 -0.122,574 -0.186,575 -0.199,576 0.018,577 -0.143,578 -0.09,579 -0.166,580 -0.138,581 -0.244,582 -0.067,583 -0.241,584 -0.154,585 0.091,586 -0.082,587 0.125,588 -0.136,589 0.043,590 0.026,591 0.044,592 0.149,593 0.141,594 0.029,595 0.175,596 -0.067,597 -0.059,598 -0.316,599 -0.232,600 -0.077,601 -0.297,602 -0.034,603 -0.048,604 0.04,605 0.045,606 -0.044,607 0.052,608 5.639,609 6.332,610 0.606,611 36.902,612 1.024,613 1.128,614 5.02,615 25.2,616 0.69,617 3.611,618 4.025,619 4.248,620 4.466,621 4.615,622 4.727,623 4.852,624 4.852,625 4.927,626 4.927,627 7.606,628 0.67,629 473.55,630 3.611,631 5.209,632 6.08,633 6.999,634 7.889,635 8.81,636 9.71,637 10.632,638 11.539,639 12.464,640 1.8,644 1,651 8,655 1,656 8,658 17,661 1,663 1,670 55,671 19,672 2,673 36,675 58,676 25,677 16,678 4,679 8,680 2,681 4,682 4,685 3,688 2,689 1,690 1,691 3,693 18,694 7,695 1,696 2,698 2,701 2,705 3,707 22,708 7,709 2,710 8,711 1,714 1,717 1,718 3,729 1,730 1,731 2,746 1,748 4,750 1,752 2,754 3,756 33,759 1,760 3,761 1,766 2,769 1,772 3,773 5.5,775 1,776 2,779 18.333,780 10.545,781 6.931,782 3.247,785 3.036,786 1.4,787 0.969,788 6.132,789 10.629,790 3.861,791 4.491,792 5.016,793 5.541,794 5.955,795 6.165,796 6.474,797 6.641,798 6.992,799 7.244,800 0.889,801 54,802 12.716,803 6.058,804 8.288,805 22.651,806 19.305,807 2.788,808 92,812 235.422,813 167.546,814 18.011,816 92.973,817 44.88,818 31.278,819 136.268,820 328.395,821 62.891,822 17.65,823 25.614,824 75.81,825 98.588,826 63.994,827 2.717,828 266.7,829 7.76,830 235.422,831 154.279,832 137.854,833 31.278,835 188.338,836 184.938,839 51.024,840 103.255,842 31.278,843 280.302,844 110.984,845 167.546,848 243.182,849 66.326,850 93.46,851 18.011,852 137.854,853 235.422,854 155.864,855 167.546,857 0.611,858 0.342,859 0.167,860 0.083,861 28,862 14,863 0.103,864 6,866 1,867 4.253,868 309.117,870 20,871 151.71,872 1,874 23.507,875 8.608,876 4.987,878 155.864,879 11.525,883 1.492,884 4.212,886 60.694,887 558.832,888 46.5,890 24.443,893 -1.23,895 56.301,896 62.048,897 0.296,898 0.642,899 0.762,900 0.818,901 0.867,902 0.867,903 5.16,904 1.812,905 6.159,906 5.667,907 4.71,908 5.179,909 3.356,910 7.088,911 4.625,912 6.434,913 1.592,914 7.814,915 5.158,916 4.745,917 5.231,918 3.903,919 8.538,920 4.572,921 7.8,922 1.233,923 9.584,924 4.632,925 6.521,926 7.398,927 5.471,928 11.561,929 6.353,930 9.2,931 1.173,932 11.424,933 3.581,934 7.3,935 8.169,936 6.69,937 13.793,938 7.053,939 10.628,940 1,941 13.309,942 2.844,943 8.688,944 9.906,945 8.064,946 16.488,947 8.432,948 12.076,949 1,950 15.226,951 2.275,952 9.751,953 10.999,954 9.388,955 18.979,956 9.437,957 13.541,958 0.355,959 17.165,960 2.275,961 11.025,962 12.563,963 10.735,964 21.607,965 10.692,966 3.603,967 0.101,968 19.121,969 0.96,970 12.196,971 13.814,972 12.074,973 24.186,974 11.824,975 3.314,976 14.283,977 21.09,978 0.265,979 13.442,980 15.301,981 13.417,982 26.809,983 13.048,984 3.212,985 11.658,986 23.069,987 4.305,988 14.656,989 16.634,990 14.758,991 29.423,992 14.235,993 2.731,994 11.365,995 25.057,996 3.962,997 15.898,998 18.087,999 16.1,1000 32.053,1001 15.457,1002 2.489,1003 8.176,1004 27.051,1005 3.83,1006 17.132,1007 19.465,1008 17.441,1009 34.684,1010 16.671,1011 2.21,1012 7.409,1013 29.051,1014 3.503,1015 18.377,1016 20.905,1017 18.783,1018 37.323,1019 17.9,1020 1.93,1021 6.59,1022 31.055,1023 3.163,1024 19.622,1025 22.308,1026 20.124,1027 39.964,1028 19.129,1029 14718,1030 28396,1031 22.77,1032 37.966,1033 56.628,1034 56.763,1035 58.008,1036 55.808,1037 55.51,1038 70.503,1039 14.991,1040 174.274,1041 53.011,1042 5.647,1043 6.46,1044 7.128,1045 5.694,1046 5.603,1047 7.305,1048 5.335,1049 21.899,1050 5.532,1051 21.997,1052 1.573,1053 1.577,1054 1.611,1055 1.55,1056 1.542,1057 1.958,1058 0.416,1059 4.841,1060 1.473,1061 4.079,1062 4.104,1063 4.275,1064 4.046,1065 8.513,1066 4.015,1067 3.983,1068 4.004,1069 3.973,1070 3.948,1071 7.999,1072 3.93,1073 3.866,1074 3.879,1075 3.887,1076 3.833,1077 7.999,1078 3.81,1079 3.73,1080 3.762,1081 3.664,1082 3.626,1083 7.475,1084 3.623,1085 3.372,1086 3.417,1087 3.39,1088 3.167,1089 7.429,1090 3.18,1091 3.251,1092 3.312,1093 3.254,1094 3.062,1095 6.351,1096 3.056,1097 3.218,1098 3.216,1099 3.15,1100 2.95,1101 4.74,1102 2.996,1103 3.149,1104 3.208,1105 2.992,1106 2.917,1107 4.698,1108 2.921,1109 0.13,1110 0.124,1111 0.214,1112 0.127,1113 0.1,1114 4.695,1115 0.12,1116 4.46,1117 0.106,1118 7.714,1119 0.397,1120 4.584,1121 0.098,1122 3.603,1123 4.305,1124 3.825,1125 14.283,1126 3.532,1127 1.941,1128 1.919,1129 2.045,1130 2.024,1131 1.231,1132 2.03,1133 1.914,1134 1.895,1135 2.009,1136 1.996,1137 1.157,1138 2,1139 1.669,1140 1.649,1141 1.79,1142 1.796,1143 0.962,1144 1.787,1145 1.552,1146 1.538,1147 1.693,1148 1.644,1149 0.902,1150 1.7,1151 1.302,1152 1.274,1153 1.513,1154 1.531,1155 0.825,1156 1.515,1157 1.185,1158 1.135,1159 1.488,1160 1.456,1161 0.685,1162 1.433,1163 1.153,1164 1.064,1165 1.438,1166 1.376,1167 0.621,1168 1.429,1169 1.046,1170 1.01,1171 1.193,1172 1.37,1173 0.28,1174 1.311,1175 4.29,1176 1.946,1177 5.68,1178 4.111,1179 7.252,1180 6.196,1181 8.902,1182 8.205,1183 10.595,1185 3.773,1187 38.606,1189 9.103,1190 1.862,1191 3.13,1196 -4.915,1199 36.824,1200 94.261,1201 204.2,1202 242.2,1203 260.2,1204 275.71,1205 275.71,1206 93.212,1207 7.593,1208 66.4,1209 94.64,1210 20,1211 12.973,1212 4.322,1213 3.524,1214 54.385,1215 146,1216 155,1217 0.177,1218 225.24,1219 406.61,1220 541.346,1221 20431,1222 5.5,1223 23.966,1224 0.726,1225 0.572,1226 21.819,1227 18.862,1228 15.499,1229 0.431,1230 0.312,1231 10.35,1232 14.412,1233 9.992,1234 8.198,1235 14.696,1236 11.23,1237 15.65,1238 0.285,1239 0.178,1240 14.454,1241 9.787,1242 11.911,1243 0.173,1244 0.1,1245 11.635,1246 6.874,1247 9.696,1248 0.113,1249 0.058,1250 9.786,1251 5.028,1252 7,1253 0.07,1254 0.032,1255 7.363,1256 3.218,1257 0.28,1258 101.437,1259 0.21,1260 30.719,1261 0.482,1262 182,1263 705.147,1264 233.669,1265 622.815,1266 810.24,1267 574,1268 218,1269 547.299,1270 256.333,1271 554.276,1272 832.9,1273 520,1274 4.62}
{0 CHEMBL598198,1 1.788,2 13.771,3 5.307,4 28.162,5 131.351,6 8.73,7 0.564,8 4.167,9 4.278,10 3.893,11 3.772,12 5.349,13 3.748,14 4.694,15 4.847,16 4.338,17 4.163,18 6.238,19 4.119,20 4.841,21 4.997,22 4.283,23 4.29,24 6.019,25 4.219,26 5.037,27 5.224,28 4.351,29 4.315,30 6.276,31 4.253,32 5.066,33 5.289,34 4.197,35 4.281,36 6.217,37 4.19,38 4.968,39 5.187,40 4.241,41 4.3,42 5.995,43 4.184,44 4.963,45 5.152,46 4.175,47 4.286,48 6.08,49 4.167,50 5.005,51 5.248,52 4.153,53 4.227,54 6.033,55 4.112,56 0.18,57 1.094,58 9.004,59 5.496,60 24.37,61 6.011,62 0.887,63 2.086,64 20.055,65 9.677,66 146.71,67 10.863,68 0.375,69 1.938,70 27.625,71 12.249,72 39.718,73 13.51,74 0.664,75 2.234,76 32.743,77 13.553,78 83.054,79 15.274,80 0.953,81 2.034,82 37.18,83 13.573,84 134.315,85 15.593,86 0.604,87 1.832,88 35.063,89 13.919,90 87.086,91 16.834,92 0.674,93 1.992,94 34.846,95 14.205,96 96.61,97 15.557,98 0.658,99 1.964,100 36.436,101 13.636,102 82.86,103 17.139,104 38,105 59,106 0.289,107 0.62,108 0.728,109 0.779,110 0.823,111 0.823,112 3.588,113 0.915,114 -7.05,115 -6.85,116 -6.34,118 43.9,119 2,120 3,126 1,127 1,133 8,134 6,139 1,142 2,145 1,149 1,152 2,154 16,157 2,158 3,160 2,162 4,164 24,167 6,170 4,171 19,175 12,179 7,180 16,184 8,189 5,192 15,196 5,200 3,202 20,206 7,208 2,210 2,211 19,215 3,217 1,218 1,219 3,222 18,225 2,226 2,233 17,236 2434,237 23.065,238 23.065,239 23.065,240 23.065,241 23.065,242 20.317,243 24.683,244 12.993,245 23.634,246 19.19,247 19.19,248 19.19,249 19.19,250 19.19,251 15.063,252 35.957,253 6.085,254 20.172,255 4.045,256 1.996,257 1.329,258 1.014,259 0.741,260 0.741,261 4.278,266 1,267 1056,268 4.301,269 69.165,270 231.568,271 248.58,277 2.279,278 48.973,280 0.75,281 0.67,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.75,288 78,289 482,290 4.695,291 4.46,292 7.714,293 4.584,294 3.603,295 4.305,296 3.825,297 14.283,298 3.532,299 4.557,300 3.912,301 7.111,302 4.192,303 3.314,304 4.004,305 1.081,306 11.658,307 3.115,308 4.436,309 3.577,310 6.866,311 4.159,312 3.212,313 3.83,314 0.68,315 11.365,316 2.875,317 4.21,318 3.097,319 6.142,320 3.821,321 2.849,322 3.713,323 0.473,324 9.048,325 2.768,326 3.82,327 2.849,328 5.654,329 3.472,330 2.489,331 3.164,333 7.411,334 2.423,335 3.6,336 2.676,337 5.308,338 3.184,339 2.218,340 2.974,342 6.596,343 2.121,344 3.482,345 2.2,346 5.189,347 3.047,348 2.065,349 2.791,351 5.841,352 2.021,353 3.162,354 2.098,355 4.875,356 2.747,357 1.82,358 2.35,360 5.176,361 1.663,362 3.022,363 1.984,364 4.583,365 2.619,366 1.629,367 2.198,369 4.636,370 1.608,371 2.919,372 1.661,373 4.47,374 2.523,375 1.588,376 2.027,378 4.372,379 1.438,380 2.621,381 1.619,382 4.35,383 2.166,384 1.231,385 1.614,387 3.576,388 1.119,389 2.5,390 1,391 3.549,392 2,393 1,394 1.5,395 2.275,396 1,397 2.5,398 1,399 3.414,400 2,401 1,402 1.5,403 2.275,404 1,405 2.331,406 0.887,407 3.414,408 1.843,409 0.868,410 1.254,411 2.055,412 0.845,413 2.118,414 0.807,415 3.334,416 1.591,417 0.618,418 0.927,419 1.372,420 0.6,421 16.524,422 0.472,423 1.184,424 0.034,425 43,426 1.229,427 21.5,428 0.614,429 21.5,430 0.614,431 34.937,432 0.998,433 37.476,434 0.657,435 35.288,436 1.008,437 8.365,438 0.239,439 8.295,440 0.237,441 0.133,442 0.061,443 0.303,444 3,447 0.509,448 0.794,449 0.652,450 0.845,451 0.549,452 0.833,453 0.36,454 0.697,455 0.671,456 0.848,457 0.352,458 0.86,459 0.624,460 0.97,461 1.187,462 1.304,463 0.561,464 1.15,465 0.922,466 1.082,467 1.036,468 1.234,469 0.918,470 1.216,471 1.033,472 0.713,473 1.04,474 0.831,475 1.054,476 0.98,477 0.546,478 0.615,479 0.905,480 0.905,481 0.563,482 0.917,483 0.835,484 0.913,485 1.388,486 1.329,487 0.874,488 1.306,489 0.571,490 0.758,491 0.889,492 0.956,493 0.547,494 1,495 9.5,496 0.174,497 5.222,498 3.167,499 1.874,500 1.646,501 1.005,502 0.701,503 0.585,504 0.431,505 19326,506 66499,507 2.075,508 38.6,509 2,510 8,513 2,514 6,515 4,517 1.767,518 1.909,519 3.694,520 0.219,525 101.906,526 1.788,527 3.837,528 4.504,529 4.819,530 5.091,531 5.091,532 3.178,533 4.365,534 5.096,535 3.932,536 2339.37,537 8.948,538 36885.5,542 332.475,543 1.695,544 5.035,545 0.244,546 0.005,547 0.093,548 0.057,549 0.034,550 0.034,551 0.02,552 0.015,553 0.013,554 0.01,555 0.525,556 0.17,557 0.63,558 0.729,559 190.377,560 0.034,561 0.135,562 0.044,563 0.104,564 -0.059,565 0.065,566 0.434,567 0.306,568 0.19,569 0.15,570 0.424,571 0.086,572 -0.032,573 -0.115,574 -0.19,575 -0.203,576 0.022,577 -0.145,578 -0.08,579 -0.173,580 -0.122,581 -0.253,582 -0.052,583 -0.232,584 -0.176,585 0.071,586 -0.101,587 0.109,588 -0.145,589 0.022,590 0.007,591 0.047,592 0.125,593 0.144,594 0.017,595 0.162,596 -0.088,597 -0.054,598 -0.302,599 -0.216,600 -0.093,601 -0.272,602 0.034,603 -0.041,604 0.095,605 0.02,606 0.016,607 0.064,608 5.624,609 6.473,610 0.714,611 42.454,612 1.023,613 1.137,614 5.824,615 33.917,616 0.694,617 3.689,618 4.094,619 4.344,620 4.585,621 4.71,622 4.828,623 4.97,624 5.05,625 5.159,626 5.159,627 8.085,628 0.674,629 497.59,630 3.689,631 5.283,632 6.159,633 7.076,634 7.969,635 8.887,636 9.788,637 10.708,638 11.615,639 12.537,640 8.8,644 1,645 1,647 3,651 8,652 3,653 1,655 1,656 9,658 22,661 1,670 57,671 23,672 2,673 39,675 61,676 25,677 17,678 4,679 8,680 1,681 5,682 5,685 3,688 2,689 1,690 1,691 3,693 18,694 7,695 1,696 1,698 1,701 1,705 3,707 22,708 8,709 2,710 10,711 1,714 5,717 1,718 1,729 1,730 2,731 2,748 5,750 1,752 2,754 3,756 35,760 3,761 1,766 2,769 1,772 3,773 1.8,776 1,779 18.333,780 11.029,781 7.347,782 3.396,785 3.705,786 1.467,787 1.007,788 6.007,789 11.643,790 3.951,791 4.59,792 5.149,793 5.705,794 6.079,795 6.34,796 6.704,797 7.01,798 7.371,799 7.594,800 1,801 56,802 13.387,803 6.305,804 8.086,805 24.23,806 20.654,807 2.586,808 90.5,812 235.422,813 168.964,814 84.418,816 25.145,817 44.88,818 31.278,819 137.686,820 260.567,821 129.298,822 17.65,823 25.614,824 75.81,825 79.716,826 82.862,827 2.717,828 266.7,829 7.76,830 235.422,831 222.104,832 70.025,833 31.278,835 190.666,836 117.11,839 67.565,840 102.345,841 49.867,842 31.278,843 280.302,844 109.563,845 168.964,848 243.182,849 67.744,850 93.46,851 34.551,852 119.892,853 235.422,854 154.443,855 168.964,857 0.606,858 0.345,859 0.177,860 0.084,861 31,862 14,863 0.098,864 6,866 1,867 4.539,868 340.271,870 25,871 162.015,872 1,874 23.691,875 8.875,876 4.878,878 137.903,879 12.865,880 11.524,881 2.452,883 1.53,884 5.731,886 34.551,887 558.829,888 51,890 13.473,893 -0.159,895 58.287,896 64.792,897 0.307,898 0.658,899 0.772,900 0.826,901 0.873,902 0.873,903 5.239,904 1.82,905 6.221,906 5.841,907 4.779,908 5.278,909 3.201,910 7.141,911 4.691,912 6.502,913 1.629,914 7.864,915 5.176,916 4.745,917 5.239,918 3.903,919 8.562,920 4.562,921 7.86,922 1.588,923 9.626,924 4.636,925 6.572,926 7.499,927 5.435,928 11.594,929 6.396,930 9.253,931 1.231,932 11.459,933 4.372,934 7.321,935 8.225,936 6.69,937 13.815,938 7.062,939 10.678,940 1,941 13.339,942 3.576,943 8.724,944 10.001,945 8.059,946 16.508,947 8.457,948 12.124,949 1,950 15.252,951 2.275,952 9.773,953 11.073,954 9.388,955 18.993,956 9.448,957 13.586,958 0.868,959 17.188,960 2.275,961 11.052,962 12.651,963 10.734,964 21.618,965 10.708,966 3.603,967 0.618,968 19.141,969 2.055,970 12.217,971 13.894,972 12.074,973 24.194,974 11.834,975 3.314,976 14.283,977 21.108,978 1.372,979 13.462,980 15.385,981 13.416,982 26.814,983 13.059,984 3.212,985 11.658,986 23.086,987 4.305,988 14.673,989 16.714,990 14.758,991 29.427,992 14.243,993 2.849,994 11.365,995 25.071,996 4.004,997 15.913,998 18.167,999 16.1,1000 32.056,1001 15.465,1002 2.489,1003 9.048,1004 27.063,1005 3.83,1006 17.145,1007 19.542,1008 17.441,1009 34.686,1010 16.678,1011 2.218,1012 7.411,1013 29.061,1014 3.713,1015 18.389,1016 20.98,1017 18.783,1018 37.324,1019 17.906,1020 2.065,1021 6.596,1022 31.064,1023 3.164,1024 19.632,1025 22.381,1026 20.124,1027 39.964,1028 19.134,1029 18110,1030 33830,1031 25.542,1032 39.557,1033 61.162,1034 60.653,1035 61.314,1036 60.226,1037 59.919,1038 77.297,1039 12.118,1040 186.323,1041 57.137,1042 5.647,1043 6.46,1044 7.311,1045 5.694,1046 5.603,1047 7.305,1048 5.335,1049 21.901,1050 5.532,1051 19.613,1052 1.568,1053 1.555,1054 1.572,1055 1.544,1056 1.536,1057 1.982,1058 0.311,1059 4.778,1060 1.465,1061 4.085,1062 4.116,1063 4.275,1064 4.048,1065 8.513,1066 4.017,1067 3.988,1068 4.011,1069 3.992,1070 3.952,1071 7.999,1072 3.934,1073 3.875,1074 3.916,1075 3.887,1076 3.833,1077 7.999,1078 3.811,1079 3.811,1080 3.86,1081 3.777,1082 3.651,1083 7.429,1084 3.658,1085 3.567,1086 3.64,1087 3.498,1088 3.264,1089 5.269,1090 3.327,1091 3.372,1092 3.417,1093 3.39,1094 3.167,1095 4.735,1096 3.18,1097 3.249,1098 3.312,1099 3.24,1100 3.062,1101 4.696,1102 3.055,1103 3.149,1104 3.216,1105 2.992,1106 2.917,1107 4.543,1108 2.921,1109 0.12,1110 0.114,1111 0.198,1112 0.118,1113 0.092,1114 4.695,1115 0.11,1116 4.46,1117 0.098,1118 7.714,1119 0.366,1120 4.584,1121 0.091,1122 3.603,1123 4.305,1124 3.825,1125 14.283,1126 3.532,1127 1.941,1128 1.919,1129 2.045,1130 2.024,1131 1.231,1132 2.03,1133 1.916,1134 1.893,1135 2.01,1136 1.992,1137 1.164,1138 1.999,1139 1.669,1140 1.649,1141 1.79,1142 1.796,1143 0.962,1144 1.787,1145 1.552,1146 1.538,1147 1.693,1148 1.645,1149 0.903,1150 1.7,1151 1.318,1152 1.272,1153 1.513,1154 1.621,1155 0.825,1156 1.543,1157 1.186,1158 1.136,1159 1.489,1160 1.517,1161 0.702,1162 1.494,1163 1.153,1164 1.064,1165 1.441,1166 1.455,1167 0.621,1168 1.433,1169 1.106,1170 1.018,1171 1.263,1172 1.376,1173 0.285,1174 1.429,1175 4.369,1176 1.946,1177 5.753,1178 4.263,1179 7.318,1180 6.354,1181 8.963,1182 8.343,1183 10.653,1185 3.847,1187 38.758,1190 2.052,1191 3.233,1196 -4.804,1199 38.427,1200 101.906,1201 218.7,1202 256.7,1203 274.7,1204 290.21,1205 290.21,1206 78.23,1207 7.938,1208 83.56,1209 111.8,1210 25,1211 13.047,1212 4.585,1213 3.7,1214 52.298,1215 166,1216 168,1217 0.149,1218 234.104,1219 407.13,1220 562.973,1221 33005,1222 5.3,1223 24.794,1224 0.708,1225 0.567,1226 22.648,1227 19.849,1228 16.66,1229 0.427,1230 0.305,1231 10.988,1232 15.444,1233 10.638,1234 8.743,1235 15.857,1236 11.897,1237 16.451,1238 0.279,1239 0.173,1240 15.255,1241 10.217,1242 13.035,1243 0.172,1244 0.095,1245 12.758,1246 7.231,1247 10.929,1248 0.113,1249 0.055,1250 11.019,1251 5.319,1252 7.72,1253 0.07,1254 0.031,1255 8.083,1256 3.372,1257 0.238,1258 109.162,1259 0.198,1260 32.419,1261 0.401,1262 196,1263 728.53,1264 249.624,1265 651.298,1266 867.29,1267 604,1268 236,1269 613.927,1270 278.005,1271 619.126,1272 923.99,1273 581,1274 6.3}
{0 CHEMBL599051,1 1.668,2 11.667,3 4.905,4 24.054,5 108.823,6 8.887,7 0.586,8 3.895,9 3.98,10 3.642,11 3.574,12 5.09,13 3.518,14 4.374,15 4.494,16 3.992,17 3.951,18 5.645,19 3.872,20 4.627,21 4.791,22 4.011,23 4.045,24 5.784,25 3.948,26 4.736,27 4.925,28 4.029,29 4.016,30 5.923,31 3.908,32 4.68,33 4.886,34 3.862,35 3.961,36 5.808,37 3.832,38 4.53,39 4.717,40 3.952,41 3.948,42 5.63,43 3.813,44 4.522,45 4.682,46 4.024,47 3.906,48 5.774,49 3.764,50 4.465,51 4.665,52 3.686,53 3.709,54 5.676,55 3.574,56 0.06,57 0.55,58 7.079,59 4.125,60 11.513,61 4.728,62 0.229,63 0.902,64 15.094,65 7.262,66 39.018,67 8.55,68 0.212,69 1.136,70 21.102,71 9.157,72 37.502,73 11.054,74 0.364,75 1.297,76 28.889,77 10.874,78 58.694,79 12.382,80 0.463,81 1.201,82 29.795,83 10.471,84 78.706,85 11.83,86 0.195,87 1.066,88 23.986,89 9.843,90 38.981,91 11.387,92 0.389,93 1.041,94 28.75,95 9.657,96 53.582,97 9.986,98 0.474,99 0.958,100 26.131,101 8.854,102 74.579,103 9.567,104 27,105 40,106 0.285,107 0.622,108 0.789,109 0.873,110 0.883,111 0.883,112 3.339,113 1.003,114 -5.31,115 -5.2,116 -4.86,118 46.7,119 1,120 1,125 1,133 8,134 5,135 1,141 2,145 2,150 1,153 1,154 13,155 1,158 2,160 2,162 4,164 19,165 2,167 3,170 5,171 14,172 2,175 6,179 6,180 11,181 1,184 4,189 3,192 10,196 4,200 2,201 1,202 11,203 1,206 3,208 1,209 1,210 2,211 11,215 2,216 1,219 2,222 11,223 1,225 1,226 1,228 1,230 1,233 10,234 1,236 1177,237 17.861,238 17.861,239 17.861,240 17.861,241 17.861,242 15.528,243 19.862,244 10.487,245 18.222,246 14.283,247 14.283,248 14.283,249 14.283,250 14.283,251 10.767,252 26.378,253 4.951,254 14.867,255 3.823,256 1.855,257 0.878,258 0.389,259 0.328,260 0.328,261 4.016,262 1,265 1,266 1,267 665,268 3.742,270 85.254,271 189.352,277 1.877,278 30.102,280 1,281 1,282 1,283 0.6,284 0.5,285 1,286 1,287 0.87,288 57.833,289 315,290 4.378,291 3.624,292 6.477,293 4.03,294 3.042,295 3.993,296 1.437,297 10.056,298 3.002,299 4.199,300 3.576,301 6.063,302 3.845,303 2.852,304 3.783,305 1.081,306 8.698,307 2.831,308 4.025,309 3.085,310 5.866,311 3.623,312 2.645,313 3.627,314 0.68,315 7.993,316 2.587,317 3.857,318 3.005,319 5.534,320 3.548,321 2.572,322 3.163,323 0.473,324 7.488,325 2.499,326 3.438,327 2.793,328 5.055,329 3.046,330 2.086,331 2.667,333 5.881,334 1.978,335 3.236,336 2.29,337 4.688,338 2.775,339 1.847,340 2.476,342 5.051,343 1.641,344 2.894,345 2.077,346 4.232,347 2.482,348 1.49,349 1.935,351 3.765,352 1.457,353 2.688,354 1.415,355 3.795,356 2.188,357 1.235,358 1.77,360 2.865,361 1.152,362 2.551,363 1.405,364 3.582,365 2.057,366 1.103,367 1.572,369 2.598,370 1.042,371 2.5,372 1.186,373 3.474,374 2,375 1.047,376 1.5,378 2.483,379 1,380 2.44,381 1.035,382 3.414,383 1.95,384 1,385 1.393,387 2.275,388 0.912,389 2.201,390 1,391 3.345,392 1.63,393 0.696,394 0.991,395 1.734,396 0.631,397 1.197,398 0.468,399 2.794,400 0.863,401 -0.105,402 -0.131,403 -0.281,404 -0.1,405 0.967,406 0.28,407 2.501,408 0.58,409 -0.414,410 -0.514,411 -0.957,412 -0.261,413 0.891,414 0.217,415 2,416 0.394,417 -0.438,418 -0.551,419 -1.053,420 -0.426,421 13.448,422 0.498,423 0.736,424 0.027,425 35,426 1.296,427 19,428 0.704,429 16,430 0.593,431 22.293,432 0.826,433 27.952,434 0.621,435 25.92,436 0.96,437 6.921,438 0.256,439 6.015,440 0.223,441 0.165,443 0.335,447 0.688,448 0.922,449 0.638,450 0.764,451 0.659,452 0.785,453 0.455,454 1.043,455 0.802,456 0.963,457 0.418,458 0.938,459 0.83,460 1.138,461 0.876,462 0.995,463 0.763,464 1.093,465 1.035,466 1.184,467 0.922,468 1.085,469 1.056,470 1.064,471 1.242,472 0.808,473 1.037,474 0.839,475 1.261,476 0.927,477 0.674,478 1.069,479 0.906,480 1.05,481 0.698,482 0.954,483 1.104,484 1.133,485 1.22,486 1.189,487 1.169,488 1.115,489 1.184,490 0.904,491 1.113,492 1.034,493 1.261,494 1.01,495 6,496 0.125,497 3.333,498 1.875,499 1.249,500 0.976,501 0.591,502 0.352,503 0.243,504 0.177,505 9048,506 31113,507 2.014,508 40,509 2,510 9,511 2,513 2,515 3,517 1.699,518 1.862,519 3.517,520 0.231,525 75.081,526 1.668,527 3.637,528 4.614,529 5.103,530 5.164,531 5.164,532 2.954,533 4.533,534 4.725,535 3.693,536 1296.33,537 8.192,538 17096.6,540 1,542 247.133,543 1.487,544 4.672,545 0.207,546 0.006,547 0.083,548 0.048,549 0.035,550 0.03,551 0.017,552 0.011,553 0.01,554 0.008,555 0.457,556 0.17,557 1,558 0.803,559 135.549,560 -0.07,561 0.093,562 0.014,563 0.102,564 -0.088,565 0.067,566 0.183,567 -0.026,568 -0.023,569 -0.034,570 0.184,571 -0.032,572 -0.068,573 -0.158,574 -0.086,575 -0.134,576 -0.03,577 -0.162,578 -0.068,579 -0.177,580 -0.024,581 -0.125,582 -0.062,583 -0.094,584 -0.205,585 0.19,586 -0.081,587 0.126,588 -0.18,589 0.062,590 0.021,591 -0.065,592 0.075,593 0.024,594 0.037,595 0.068,596 -0.034,597 -0.088,598 -0.054,599 -0.073,600 -0.084,601 -0.143,602 -0.052,603 0.095,604 -0.067,605 0.007,606 -0.096,607 -0.006,608 2.637,609 5.718,610 0.63,611 26.51,612 1.01,613 1.105,614 4.081,615 16.655,616 0.727,617 3.401,618 3.714,619 3.932,620 4.127,621 4.234,622 4.304,623 4.331,624 4.304,625 4.382,626 4.382,627 6.923,628 0.687,629 399.92,630 3.401,631 4.934,632 5.765,633 6.627,634 7.471,635 8.335,636 9.185,637 10.05,638 10.903,639 11.769,640 2.2,644 1,651 10,655 1,656 6,658 17,661 1,663 1,669 1,670 45,671 19,672 2,673 29,675 47,676 21,677 16,678 4,679 8,680 2,681 3,682 3,683 1,685 1,691 2,693 18,694 3,696 2,698 2,701 2,707 18,708 4,709 2,710 6,711 2,714 1,717 1,718 3,730 1,731 2,746 1,748 3,750 1,752 1,753 1,756 27,759 1,760 1,761 1,764 1,769 1,772 1,773 6.7,775 1,776 2,779 14.5,780 8.26,781 5.944,782 2.558,785 3.137,786 1.442,787 0.96,788 6.297,789 10.229,790 3.701,791 4.28,792 4.803,793 5.307,794 5.673,795 5.841,796 6.048,797 6.212,798 6.574,799 6.777,800 0.875,801 39,802 9.979,803 4.253,804 7.967,805 18.686,806 15.191,807 2.467,808 66.611,811 1,812 188.338,813 158.789,814 18.011,815 39.149,816 92.973,818 31.278,819 127.511,820 320.459,821 18.011,822 8.825,823 20.545,824 91.108,825 98.588,826 19.428,827 23.542,828 196.073,829 39.149,830 188.338,831 145.522,832 92.973,833 70.426,835 153.024,836 128.287,839 29.37,840 116.151,841 39.149,842 31.278,843 188.338,844 110.984,845 197.937,848 188.338,849 58.855,850 99.933,851 18.011,852 132.122,853 188.338,854 110.984,855 197.937,857 0.584,858 0.334,859 0.169,860 0.083,861 18,862 9,863 0.128,864 6,866 1,867 3.886,868 219.207,870 17,871 124.382,872 1,874 19.589,875 8.68,876 4.965,878 110.984,879 17.925,883 1.487,884 4.389,886 60.694,887 497.259,888 39.5,890 23.665,893 -1.12,895 45.436,896 49.727,897 0.304,898 0.662,899 0.84,900 0.929,901 0.94,902 0.94,903 4.922,904 1.235,905 5.753,906 3.765,907 4.394,908 4.966,909 2.179,910 6.529,911 4.329,912 6.13,913 1.103,914 7.299,915 2.865,916 4.007,917 4.718,919 7.372,920 3.933,921 7.427,922 1.047,923 8.943,924 2.598,925 5.964,926 7.107,927 2.548,928 10.42,929 5.869,930 8.756,931 1,932 10.641,933 2.483,934 6.365,935 7.648,937 12.066,938 6.269,939 10.114,940 0.696,941 12.375,942 2.275,943 7.804,944 9.509,945 3.091,946 14.622,947 7.692,948 11.491,949 -0.105,950 14.133,951 1.734,952 8.558,953 10.421,955 16.605,956 8.443,957 12.883,958 -0.414,959 15.907,960 -0.281,961 9.787,962 12.044,963 3.717,964 18.985,965 9.658,966 3.042,967 -0.438,968 17.694,969 -0.957,970 10.707,971 13.149,973 21.124,974 10.572,975 2.852,976 10.056,977 19.491,978 -1.053,979 11.846,980 14.652,981 4.386,982 23.439,983 11.7,984 2.645,985 8.698,986 21.296,987 3.993,988 12.848,989 15.863,991 25.654,992 12.692,993 2.572,994 7.993,995 23.107,996 3.783,997 13.95,998 17.302,999 5.08,1000 27.949,1001 13.784,1002 2.086,1003 7.488,1004 24.924,1005 3.627,1006 14.992,1007 18.575,1009 30.202,1010 14.816,1011 1.847,1012 5.881,1013 26.745,1014 3.163,1015 16.082,1016 19.979,1017 5.787,1018 32.492,1019 15.895,1020 1.49,1021 5.051,1022 28.57,1023 2.667,1024 17.145,1025 21.288,1027 34.766,1028 16.948,1029 8861,1030 16539,1031 18.898,1032 32.727,1033 44.122,1034 44.9,1035 44.915,1036 43.339,1037 43.227,1038 57.738,1039 7.341,1040 121.776,1041 41.462,1042 5.266,1043 5.624,1044 6.035,1045 5.116,1046 5.042,1047 6.993,1048 2.873,1049 16.901,1050 5.002,1051 15.182,1052 1.521,1053 1.548,1054 1.549,1055 1.494,1056 1.491,1057 1.991,1058 0.253,1059 4.199,1060 1.43,1061 4.012,1062 4.031,1063 4.232,1064 3.993,1065 7.475,1066 3.955,1067 3.933,1068 3.954,1069 3.984,1070 3.881,1071 7.429,1072 3.874,1073 3.811,1074 3.82,1075 3.896,1076 3.801,1077 6.351,1078 3.762,1079 3.524,1080 3.57,1081 3.487,1082 3.352,1083 4.941,1084 3.357,1085 3.212,1086 3.213,1087 3.366,1088 3.021,1089 4.705,1090 3.008,1091 3.107,1092 3.156,1093 3.221,1094 2.936,1095 4.593,1096 2.945,1097 3.021,1098 3.062,1099 2.996,1100 2.828,1101 4.309,1102 2.822,1103 2.877,1104 2.925,1105 2.921,1106 2.79,1107 4.119,1108 2.762,1109 0.151,1110 0.125,1111 0.223,1112 0.139,1113 0.105,1114 4.378,1115 0.138,1116 3.624,1117 0.05,1118 6.477,1119 0.347,1120 4.03,1121 0.104,1122 3.042,1123 3.993,1124 1.437,1125 10.056,1126 3.002,1127 1.939,1128 1.916,1129 2.048,1130 2.032,1131 1.215,1132 2.038,1133 1.918,1134 1.896,1135 2.018,1136 1.985,1137 1.194,1138 2.002,1139 1.627,1140 1.606,1141 1.754,1142 1.783,1143 0.882,1144 1.77,1145 1.456,1146 1.414,1147 1.665,1148 1.611,1149 0.832,1150 1.63,1151 1.332,1152 1.332,1153 1.371,1154 1.405,1155 0.591,1156 1.453,1157 1.024,1158 1.012,1159 1.197,1160 1.35,1161 0.34,1162 1.298,1163 0.985,1164 0.943,1165 1.181,1166 1.139,1167 0.241,1168 1.203,1169 0.886,1170 0.824,1171 1.133,1172 1.062,1173 0.218,1174 1.107,1175 4.078,1177 5.389,1178 2.398,1179 6.878,1180 4.595,1181 8.445,1182 6.581,1183 10.05,1185 1.872,1186 6.041,1189 8.977,1190 0.633,1191 2.979,1194 -0.237,1199 30.922,1200 75.081,1201 163.649,1202 207.624,1203 229.624,1204 232.379,1205 232.379,1206 58.188,1207 7.093,1208 66.4,1209 94.64,1210 17,1211 12.318,1212 4.322,1213 3.524,1214 47.118,1215 111,1216 108,1217 0.204,1218 199.002,1219 346.77,1220 477.326,1221 11796,1222 2.2,1223 19.389,1224 0.718,1225 0.599,1226 20.242,1227 16.18,1228 12.936,1229 0.446,1230 0.334,1231 8.426,1232 11.877,1233 8.06,1234 6.691,1235 13.724,1236 9.695,1237 11.837,1238 0.296,1239 0.185,1240 12.711,1241 7.42,1242 9.437,1243 0.189,1244 0.106,1245 10.256,1246 5.303,1247 7.644,1248 0.125,1249 0.063,1250 8.646,1251 3.849,1252 5.284,1253 0.078,1254 0.034,1255 5.977,1256 2.304,1257 0.325,1258 87.929,1259 0.23,1260 26.24,1261 0.547,1262 138,1263 425.017,1264 181.158,1265 465.778,1266 607.34,1267 430,1268 159,1269 390.195,1270 192.775,1271 422.562,1272 609.59,1273 395,1274 5.138}
{0 CHEMBL599052,1 1.809,2 11.655,3 5.823,4 33.902,5 118.435,6 10.418,7 0.548,8 3.908,9 3.978,10 3.782,11 3.621,12 5.135,13 3.566,14 4.391,15 4.492,16 4.32,17 4.035,18 5.708,19 3.945,20 4.646,21 4.788,22 4.282,23 4.132,24 5.857,25 4.039,26 4.763,27 4.921,28 4.397,29 4.111,30 6.073,31 4.008,32 4.708,33 4.882,34 4.203,35 4.058,36 5.961,37 3.938,38 4.567,39 4.711,40 4.292,41 4.08,42 5.776,43 3.95,44 4.573,45 4.673,46 4.456,47 4.078,48 5.968,49 3.939,50 4.512,51 4.657,52 4.165,53 3.881,54 5.869,55 3.743,56 0.124,57 0.527,58 3.993,59 3.625,60 14.84,61 3.986,62 0.326,63 0.858,64 15.846,65 6.865,66 43.473,67 7.595,68 0.384,69 1.095,70 17.459,71 8.825,72 46.576,73 10.126,74 0.695,75 1.246,76 32.987,77 11.242,78 81.085,79 11.733,80 0.761,81 1.151,82 33.416,83 10.923,84 101.793,85 11.286,86 0.415,87 1,88 27.259,89 9.994,90 54.957,91 10.768,92 0.659,93 0.958,94 36.118,95 9.941,96 72.651,97 8.928,98 0.744,99 0.892,100 35.771,101 9.532,102 94.319,103 8.928,104 51,105 44,106 0.309,107 0.639,108 0.789,109 0.873,110 0.883,111 0.883,112 3.408,113 1.022,114 -6,115 -5.86,116 -5.45,118 46.7,119 1,120 1,125 1,133 8,134 5,135 1,143 2,145 2,150 1,153 1,154 13,155 1,158 2,160 2,162 4,164 23,165 2,167 3,170 5,171 17,172 2,175 7,179 7,180 14,181 1,184 5,189 4,192 13,196 4,200 2,201 1,202 16,203 1,206 3,208 1,209 1,210 2,211 18,215 2,216 1,219 2,222 17,223 1,225 1,226 1,228 1,230 1,233 13,234 1,236 1445,237 18.861,238 18.861,239 18.861,240 18.861,241 18.861,242 16.423,243 21.72,244 10.887,245 19.521,246 15.24,247 15.24,248 15.24,249 15.24,250 15.24,251 11.552,252 28.324,253 5.128,254 16.451,255 3.683,256 1.756,257 0.878,258 0.389,259 0.328,260 0.328,261 4.081,262 1,263 2,266 1,267 709,268 3.873,270 91.854,271 204.923,277 1.781,278 39.454,280 0.75,281 0.67,282 1,283 0.6,284 0.5,285 1,286 1,287 0.79,288 62.5,289 338,290 4.589,291 3.721,292 6.872,293 4.172,294 3.237,295 4.302,296 1.437,297 11.395,298 3.049,299 4.203,300 3.577,301 6.076,302 3.857,303 2.867,304 3.785,305 1.081,306 8.741,307 2.836,308 4.035,309 3.27,310 5.872,311 3.628,312 2.652,313 3.64,314 0.68,315 8.015,316 2.589,317 3.875,318 3.014,319 5.657,320 3.57,321 2.601,322 3.174,323 0.473,324 7.609,325 2.507,326 3.592,327 2.972,328 5.424,329 3.164,330 2.237,331 2.87,333 6.772,334 2.036,335 3.323,336 2.676,337 4.925,338 2.864,339 1.992,340 2.573,342 5.504,343 1.67,344 3.12,345 2.471,346 4.723,347 2.609,348 1.772,349 2.303,351 4.991,352 1.491,353 2.909,354 2.079,355 4.429,356 2.46,357 1.531,358 1.966,360 4.114,361 1.281,362 2.697,363 1.832,364 4.033,365 2.191,366 1.259,367 1.759,369 3.178,370 1.142,371 2.619,372 1.405,373 3.651,374 2.106,375 1.158,376 1.632,378 2.602,379 1.037,380 2.5,381 1.271,382 3.483,383 2,384 1,385 1.5,387 2.41,388 1,389 2.336,390 1,391 3.414,392 1.923,393 0.953,394 1.231,395 2.275,396 0.865,397 1.361,398 0.76,399 3.076,400 1.046,401 0.115,402 0.135,403 0.325,404 0.099,405 0.967,406 0.464,407 2.596,408 0.585,409 -0.385,410 -0.476,411 -0.88,412 -0.254,413 0.928,414 0.272,415 2.345,416 0.433,417 -0.436,418 -0.544,419 -1.051,420 -0.275,421 14.876,422 0.513,423 0.915,424 0.032,425 36.5,426 1.259,427 19,428 0.655,429 17.5,430 0.603,431 28.06,432 0.968,433 30.124,434 0.669,435 27.443,436 0.946,437 7.141,438 0.246,439 6.616,440 0.228,441 0.245,443 0.37,447 0.663,448 0.915,449 0.548,450 0.675,451 0.654,452 0.709,453 0.45,454 1.023,455 0.484,456 0.732,457 0.442,458 0.813,459 0.822,460 1.124,461 0.757,462 0.872,463 0.782,464 0.986,465 0.916,466 1.209,467 0.852,468 1.094,469 0.995,470 1.067,471 1.149,472 0.812,473 1.03,474 0.877,475 1.202,476 0.932,477 0.905,478 1.044,479 1.105,480 1.037,481 0.812,482 0.928,483 1.358,484 1.11,485 1.497,486 1.241,487 1.293,488 1.15,489 1.386,490 0.892,491 1.396,492 1.13,493 1.355,494 1.094,495 7,496 0.173,497 3.778,498 2.917,499 1.614,500 1.222,501 0.847,502 0.569,503 0.325,504 0.202,505 10298,506 41291,507 1.973,508 35.6,509 2,510 9,513 2,515 3,517 1.721,518 1.794,519 3.495,520 0.262,525 81.385,526 1.809,527 3.736,528 4.614,529 5.103,530 5.164,531 5.164,532 2.935,533 4.582,534 4.827,535 3.678,536 1493.19,537 8.415,538 20356.7,542 247.133,543 1.556,544 4.756,545 0.226,546 0.008,547 0.086,548 0.065,549 0.038,550 0.032,551 0.021,552 0.015,553 0.011,554 0.008,555 0.509,556 0.17,557 0.75,558 0.83,559 147.777,560 -0.072,561 0.098,562 -0.004,563 0.096,564 -0.087,565 0.065,566 0.186,567 -0.003,568 0.205,569 0.13,570 0.168,571 0.045,572 -0.068,573 -0.137,574 -0.004,575 -0.035,576 -0.045,577 -0.068,578 0.042,579 -0.195,580 0.06,581 -0.125,582 -0.006,583 -0.086,584 -0.127,585 0.193,586 -0.058,587 0.11,588 -0.131,589 0.08,590 -0.076,591 -0.054,592 -0.028,593 0.035,594 -0.016,595 0.086,596 -0.169,597 -0.095,598 -0.172,599 -0.12,600 -0.162,601 -0.214,602 -0.164,603 0.088,604 -0.158,605 -0.047,606 -0.16,607 -0.087,608 2.668,609 5.948,610 0.586,611 28.499,612 1.024,613 1.103,614 4.775,615 22.8,616 0.765,617 3.466,618 3.807,619 4.043,620 4.277,621 4.407,622 4.454,623 4.511,624 4.5,625 4.585,626 4.585,627 6.888,628 0.724,629 468.8,630 3.466,631 5.017,632 5.861,633 6.742,634 7.602,635 8.487,636 9.356,637 10.242,638 11.116,639 12.005,640 2.2,644 1,651 8,655 1,656 8,658 17,661 1,663 1,669 3,670 45,671 19,672 2,673 31,675 47,676 21,677 16,678 4,679 8,680 2,681 3,682 3,683 3,685 1,691 2,693 18,694 3,696 2,698 2,701 2,707 16,708 4,709 2,710 8,711 4,714 1,717 1,718 3,730 1,731 2,746 1,748 3,750 1,752 1,753 3,756 29,759 1,760 1,761 1,764 1,769 1,772 3,773 6.7,775 1,776 2,779 16.167,780 8.379,781 6.333,782 2.56,785 3.062,786 1.424,787 0.959,788 7.22,789 10.284,790 3.75,791 4.36,792 4.897,793 5.43,794 5.818,795 5.957,796 6.193,797 6.38,798 6.761,799 6.979,800 0.875,801 45,802 10.723,803 4.636,804 8.057,805 19.807,806 16.16,807 2.557,808 74.167,812 164.795,813 146.837,814 18.011,815 117.446,816 92.973,818 31.278,819 115.56,820 375.215,821 18.011,822 8.825,823 20.545,824 75.81,825 98.588,826 22.775,827 78.297,828 196.073,829 39.149,830 164.795,831 133.57,832 92.973,833 148.724,835 129.482,836 128.287,839 32.717,840 100.853,841 39.149,842 109.575,843 164.795,844 110.984,845 264.283,848 164.795,849 62.202,850 84.635,851 18.011,852 210.419,853 164.795,854 110.984,855 264.283,857 0.592,858 0.343,859 0.178,860 0.09,861 20,862 11,863 0.128,864 6,866 1,867 3.933,868 248.132,870 17,871 136.881,872 1,874 22.096,875 9.476,876 5.312,878 110.984,879 13.672,883 1.147,884 4.243,886 60.694,887 540.063,888 41.5,890 23.937,893 -1.344,895 46.084,896 49.615,897 0.329,898 0.68,899 0.84,900 0.929,901 0.94,902 0.94,903 4.992,904 1.531,905 5.872,906 4.991,907 4.489,908 5.047,909 2.179,910 6.691,911 4.364,912 6.221,913 1.259,914 7.447,915 4.114,916 4.205,917 4.934,919 7.624,920 3.996,921 7.538,922 1.158,923 9.119,924 3.178,925 6.098,926 7.232,927 2.548,928 10.71,929 5.906,930 8.887,931 1,932 10.847,933 2.602,934 6.581,935 7.89,937 12.478,938 6.324,939 10.265,940 0.953,941 12.61,942 2.41,943 7.998,944 9.704,945 3.091,946 15.105,947 7.74,948 11.664,949 0.115,950 14.399,951 2.275,952 8.83,953 10.732,955 17.246,956 8.508,957 13.08,958 -0.385,959 16.208,960 0.325,961 10.065,962 12.339,963 3.717,964 19.724,965 9.724,966 3.237,967 -0.436,968 18.033,969 -0.88,970 11.06,971 13.558,973 22.03,974 10.656,975 2.867,976 11.395,977 19.872,978 -1.051,979 12.229,980 15.07,981 4.386,982 24.465,983 11.789,984 2.652,985 8.741,986 21.722,987 4.302,988 13.303,989 16.39,991 26.842,992 12.799,993 2.601,994 8.015,995 23.583,996 3.785,997 14.451,998 17.86,999 5.08,1000 29.268,1001 13.9,1002 2.237,1003 7.609,1004 25.451,1005 3.64,1006 15.564,1007 19.235,1009 31.675,1010 14.949,1011 1.992,1012 6.772,1013 27.328,1014 3.174,1015 16.709,1016 20.687,1017 5.787,1018 34.102,1019 16.04,1020 1.772,1021 5.504,1022 29.211,1023 2.87,1024 17.843,1025 22.094,1027 36.523,1028 17.109,1029 10171,1030 20515,1031 19.709,1032 34.443,1033 47.514,1034 49.12,1035 49.466,1036 47.191,1037 46.747,1038 61.74,1039 7.341,1040 135.86,1041 43.202,1042 5.48,1043 5.721,1044 6.428,1045 5.295,1046 5.237,1047 7.302,1048 2.873,1049 18.482,1050 5.049,1051 18.539,1052 1.533,1053 1.585,1054 1.596,1055 1.522,1056 1.508,1057 1.992,1058 0.237,1059 4.383,1060 1.394,1061 4.017,1062 4.03,1063 4.417,1064 4.016,1065 7.475,1066 3.969,1067 3.934,1068 3.954,1069 3.991,1070 3.882,1071 7.429,1072 3.875,1073 3.818,1074 3.819,1075 3.898,1076 3.813,1077 6.351,1078 3.777,1079 3.526,1080 3.569,1081 3.558,1082 3.354,1083 4.977,1084 3.36,1085 3.214,1086 3.212,1087 3.483,1088 3.033,1089 4.913,1090 3.015,1091 3.11,1092 3.155,1093 3.365,1094 2.948,1095 4.7,1096 2.958,1097 3.033,1098 3.06,1099 3.222,1100 2.838,1101 4.589,1102 2.837,1103 2.877,1104 2.925,1105 3.008,1106 2.79,1107 4.33,1108 2.763,1109 0.148,1110 0.12,1111 0.222,1112 0.135,1113 0.104,1114 4.589,1115 0.139,1116 3.721,1117 0.046,1118 6.872,1119 0.368,1120 4.172,1121 0.098,1122 3.237,1123 4.302,1124 1.437,1125 11.395,1126 3.049,1127 1.939,1128 1.916,1129 2.047,1130 2.032,1131 1.215,1132 2.037,1133 1.917,1134 1.896,1135 2.015,1136 1.983,1137 1.194,1138 2.001,1139 1.621,1140 1.607,1141 1.746,1142 1.777,1143 0.879,1144 1.763,1145 1.453,1146 1.415,1147 1.632,1148 1.598,1149 0.829,1150 1.616,1151 1.307,1152 1.335,1153 1.316,1154 1.38,1155 0.526,1156 1.395,1157 1.023,1158 1.012,1159 1.186,1160 1.34,1161 0.279,1162 1.298,1163 0.975,1164 0.944,1165 1.181,1166 1.062,1167 0.233,1168 1.129,1169 0.886,1170 0.824,1171 1.086,1172 1.034,1173 0.218,1174 1.107,1175 4.143,1177 5.476,1178 2.398,1179 6.987,1180 4.844,1181 8.578,1182 7.002,1183 10.209,1185 1.812,1186 18.713,1189 9.006,1190 0.424,1191 2.904,1194 -0.348,1199 32.577,1200 81.385,1201 168.114,1202 207.624,1203 229.624,1204 232.379,1205 232.379,1206 76.027,1207 7.222,1208 66.4,1209 94.64,1210 17,1211 12.538,1212 4.322,1213 3.524,1214 52.445,1215 117,1216 125,1217 0.215,1218 215.668,1219 377.19,1220 517.99,1221 13179,1222 6.7,1223 21.129,1224 0.729,1225 0.631,1226 22.983,1227 18.293,1228 13.757,1229 0.444,1230 0.341,1231 8.712,1232 12.311,1233 8.297,1234 6.846,1235 15.031,1236 10.562,1237 12.914,1238 0.294,1239 0.207,1240 15.03,1241 9.093,1242 10.241,1243 0.183,1244 0.113,1245 11.923,1246 6.341,1247 8.567,1248 0.121,1249 0.068,1250 10.739,1251 4.838,1252 6.051,1253 0.075,1254 0.037,1255 7.623,1256 3.037,1257 0.338,1258 98.291,1259 0.225,1260 27.595,1261 0.587,1262 150,1263 493.424,1264 243.917,1265 590.099,1266 754.54,1267 542,1268 175,1269 448.606,1270 235.536,1271 503.905,1272 738.64,1273 471,1274 6.341}
{0 CHEMBL599262,1 1.615,2 12.103,3 5.196,4 26.993,5 118.505,6 8.392,7 0.548,8 4.005,9 4.101,10 3.702,11 3.668,12 5.163,13 3.605,14 4.506,15 4.651,16 4.118,17 4.068,18 5.712,19 3.975,20 4.739,21 4.891,22 4.136,23 4.203,24 5.861,25 4.089,26 4.878,27 5.059,28 4.116,29 4.185,30 6.027,31 4.07,32 4.897,33 5.115,34 4.006,35 4.146,36 5.987,37 4.019,38 4.852,39 5.07,40 4.063,41 4.179,42 5.878,43 4.032,44 4.809,45 4.994,46 4.041,47 4.157,48 5.94,49 4.007,50 4.859,51 5.097,52 4.023,53 4.095,54 5.877,55 3.915,56 0.042,57 0.634,58 9.189,59 4.913,60 10.97,61 5.908,62 0.221,63 1.049,64 18.51,65 8.647,66 41.98,67 10.7,68 0.186,69 1.329,70 30.389,71 11.696,72 35.671,73 13.445,74 0.279,75 1.495,76 32.43,77 12.432,78 52.82,79 14.899,80 0.438,81 1.52,82 32.904,83 12.514,84 83.014,85 15.014,86 0.315,87 1.464,88 35.862,89 13.279,90 62.629,91 16.022,92 0.343,93 1.412,94 31.869,95 12.584,96 56.433,97 14.695,98 0.408,99 1.413,100 39.29,101 13.407,102 74.034,103 16.122,104 51,105 44,106 0.27,107 0.607,108 0.75,109 0.809,110 0.842,111 0.842,112 3.408,113 1.009,114 -5.74,115 -5.6,116 -5.22,118 45.1,119 3,120 1,125 1,133 8,134 5,135 1,142 2,145 2,150 1,153 1,154 13,155 1,158 2,160 2,162 4,164 23,165 2,167 3,170 5,171 18,172 2,175 7,179 7,180 13,181 1,184 5,189 4,192 13,196 4,200 2,201 1,202 17,203 1,206 4,208 1,209 1,210 3,211 16,216 1,222 17,223 1,225 1,226 2,228 1,230 2,233 16,234 1,236 1460,237 18.861,238 18.861,239 18.861,240 18.861,241 18.861,242 16.423,243 23.145,244 10.853,245 19.262,246 15.224,247 15.224,248 15.224,249 15.224,250 15.224,251 11.546,252 30.722,253 5.113,254 15.888,255 4.057,256 2.035,257 1.182,258 0.829,259 0.633,260 0.633,261 4.081,262 1,265 1,266 1,267 736,268 3.873,270 92.827,271 205.487,277 1.845,278 31.168,280 0.75,281 0.83,282 1,283 0.8,284 0.5,285 1,286 1,287 0.84,288 61.833,289 351,290 4.589,291 3.679,292 6.872,293 4.205,294 3.236,295 4.302,296 1.437,297 11.395,298 3.137,299 4.203,300 3.576,301 6.076,302 3.859,303 2.867,304 3.785,305 1.081,306 8.74,307 2.841,308 4.006,309 3.171,310 5.872,311 3.62,312 2.634,313 3.608,314 0.68,315 8.013,316 2.591,317 3.875,318 2.992,319 5.64,320 3.557,321 2.586,322 3.174,323 0.473,324 7.432,325 2.51,326 3.598,327 2.919,328 5.353,329 3.214,330 2.247,331 2.878,333 6.678,334 2.147,335 3.413,336 2.565,337 4.945,338 2.973,339 2.07,340 2.696,342 5.731,343 1.789,344 3.137,345 2.152,346 4.833,347 2.735,348 1.793,349 2.321,351 5.126,352 1.655,353 2.909,354 2.077,355 4.437,356 2.497,357 1.533,358 1.965,360 4.129,361 1.456,362 2.659,363 1.667,364 4.035,365 2.19,366 1.234,367 1.662,369 3.18,370 1.145,371 2.5,372 1.405,373 3.651,374 2,375 1,376 1.5,378 2.432,379 1,380 2.5,381 1,382 3.414,383 2,384 1,385 1.5,387 2.275,388 1,389 2.338,390 1,391 3.414,392 1.959,393 0.961,394 1.235,395 2.275,396 0.944,397 1.496,398 0.806,399 3.101,400 1.192,401 0.245,402 0.291,403 0.631,404 0.215,405 0.986,406 0.478,407 2.601,408 0.658,409 -0.249,410 -0.285,411 -0.601,412 -0.193,413 0.967,414 0.404,415 2.346,416 0.552,417 -0.454,418 -0.584,419 -1.082,420 -0.433,421 14.448,422 0.498,423 0.915,424 0.032,425 36,426 1.241,427 19,428 0.655,429 17,430 0.586,431 28.188,432 0.972,433 30.552,434 0.599,435 27.137,436 0.936,437 7.064,438 0.244,439 6.692,440 0.231,441 0.222,443 0.381,447 0.682,448 0.967,449 0.665,450 0.814,451 0.664,452 0.839,453 0.426,454 0.925,455 0.661,456 0.803,457 0.399,458 0.82,459 0.862,460 1.219,461 1.244,462 1.278,463 0.759,464 1.132,465 0.99,466 1.322,467 0.983,468 1.218,469 1.01,470 1.198,471 1.183,472 0.889,473 0.791,474 0.801,475 1.27,476 0.914,477 0.831,478 0.923,479 0.952,480 0.952,481 0.834,482 0.915,483 0.861,484 1.177,485 1.089,486 1.209,487 0.934,488 1.176,489 0.993,490 0.902,491 0.858,492 0.857,493 1.028,494 0.943,495 7,496 0.165,497 4,498 2.667,499 1.694,500 1.278,501 0.858,502 0.536,503 0.43,504 0.193,505 10394,506 34095,507 1.973,508 43.1,509 2,510 9,513 2,514 6,515 3,517 1.72,518 1.794,519 3.535,520 0.194,525 82.389,526 1.615,527 3.638,528 4.491,529 4.844,530 5.04,531 5.04,532 3.047,533 4.444,534 4.826,535 3.705,536 1504.21,537 8.412,538 20533.3,542 289.294,543 1.556,544 4.756,545 0.226,546 0.008,547 0.091,548 0.059,549 0.041,550 0.034,551 0.021,552 0.014,553 0.014,554 0.007,555 0.516,556 0.17,557 0.88,558 0.83,559 148.017,560 -0.06,561 0.082,562 0.02,563 0.093,564 -0.088,565 0.061,566 0.212,567 0.112,568 0.147,569 0.157,570 0.2,571 0.129,572 -0.092,573 -0.166,574 -0.219,575 -0.219,576 -0.031,577 -0.168,578 -0.061,579 -0.314,580 -0.127,581 -0.274,582 -0.052,583 -0.25,584 -0.165,585 0.126,586 -0.012,587 0.115,588 -0.147,589 0.041,590 -0.048,591 0.085,592 0.015,593 0.077,594 -0.016,595 0.094,596 -0.003,597 -0.148,598 -0.146,599 -0.166,600 -0.031,601 -0.199,602 -0.071,603 0.062,604 0.122,605 0.138,606 -0.103,607 0.073,608 2.635,609 6.083,610 0.586,611 29.07,612 1.004,613 1.109,614 4.507,615 20.313,616 0.711,617 3.466,618 3.807,619 4.043,620 4.263,621 4.419,622 4.443,623 4.5,624 4.511,625 4.605,626 4.575,627 6.965,628 0.666,629 427.98,630 3.466,631 5.017,632 5.861,633 6.739,634 7.601,635 8.483,636 9.353,637 10.237,638 11.112,639 11.998,640 2,644 1,651 8,655 1,656 8,658 17,661 1,663 1,669 1,670 51,671 19,672 2,673 31,675 53,676 23,677 16,678 4,679 8,680 2,681 3,682 3,683 1,685 3,691 2,693 18,694 5,696 2,698 2,701 2,707 22,708 4,709 2,710 6,711 2,714 1,717 1,718 3,730 1,731 2,746 1,748 3,750 1,752 3,753 1,756 29,759 1,760 1,761 1,764 1,769 1,772 1,773 5.9,775 1,776 2,779 16.167,780 10.093,781 6.333,782 2.988,785 3.052,786 1.423,787 0.954,788 6.76,789 10.274,790 3.75,791 4.36,792 4.897,793 5.42,794 5.831,795 5.944,796 6.19,797 6.389,798 6.783,799 6.982,800 1,801 45,802 10.736,803 4.557,804 7.912,805 20.235,806 16.491,807 2.412,808 69.944,811 1,812 235.422,813 163.858,814 18.011,815 39.149,816 92.973,818 31.278,819 132.58,820 367.544,821 18.011,822 26.476,823 20.545,824 75.81,825 98.588,826 19.428,827 2.717,828 266.7,829 39.149,830 235.422,831 150.591,832 92.973,833 70.426,835 200.109,836 128.287,839 47.021,840 103.57,841 39.149,842 31.278,843 235.422,844 110.984,845 203.006,848 235.422,849 61.572,850 102.286,851 18.011,852 132.122,853 235.422,854 110.984,855 203.006,857 0.593,858 0.344,859 0.174,860 0.092,861 20,862 11,863 0.113,864 6,866 1,867 3.946,868 247.373,870 17,871 132.881,872 1,874 21.538,875 9.102,876 5.063,878 110.984,879 14.219,883 1.622,884 6.721,886 60.694,887 549.412,888 41.5,890 24.098,893 -1.088,895 51.203,896 56.558,897 0.285,898 0.641,899 0.792,900 0.854,901 0.888,902 0.888,903 4.992,904 1.533,905 5.872,906 5.126,907 4.489,908 5.047,909 2.179,910 6.688,911 4.415,912 6.221,913 1.234,914 7.447,915 4.129,916 4.205,917 4.934,919 7.624,920 4.085,921 7.538,922 1,923 9.119,924 3.18,925 6.098,926 7.232,927 2.548,928 10.702,929 5.976,930 8.887,931 1,932 10.846,933 2.432,934 6.581,935 7.89,937 12.473,938 6.424,939 10.265,940 0.961,941 12.608,942 2.275,943 7.996,944 9.702,945 3.091,946 15.097,947 7.833,948 11.663,949 0.245,950 14.396,951 2.275,952 8.825,953 10.727,955 17.239,956 8.631,957 13.079,958 -0.249,959 16.204,960 0.631,961 10.06,962 12.334,963 3.717,964 19.718,965 9.852,966 3.236,967 -0.454,968 18.029,969 -0.601,970 11.054,971 13.55,973 22.025,974 10.815,975 2.867,976 11.395,977 19.867,978 -1.082,979 12.221,980 15.062,981 4.386,982 24.461,983 11.962,984 2.634,985 8.74,986 21.718,987 4.302,988 13.295,989 16.381,991 26.839,992 13.003,993 2.586,994 8.013,995 23.578,996 3.785,997 14.443,998 17.851,999 5.08,1000 29.265,1001 14.126,1002 2.247,1003 7.432,1004 25.447,1005 3.608,1006 15.556,1007 19.226,1009 31.673,1010 15.206,1011 2.07,1012 6.678,1013 27.323,1014 3.174,1015 16.702,1016 20.678,1017 5.787,1018 34.1,1019 16.322,1020 1.793,1021 5.731,1022 29.206,1023 2.878,1024 17.836,1025 22.085,1027 36.521,1028 17.423,1029 10263,1030 18707,1031 19.709,1032 36.25,1033 47.642,1034 48.732,1035 49.481,1036 47.006,1037 46.813,1038 61.833,1039 7.341,1040 136.07,1041 44.861,1042 5.479,1043 5.679,1044 6.287,1045 5.308,1046 5.236,1047 7.302,1048 2.873,1049 18.482,1050 5.137,1051 18.622,1052 1.537,1053 1.572,1054 1.596,1055 1.516,1056 1.51,1057 1.995,1058 0.237,1059 4.389,1060 1.447,1061 4.033,1062 4.049,1063 4.273,1064 4.033,1065 7.475,1066 3.986,1067 3.937,1068 3.958,1069 3.985,1070 3.882,1071 7.429,1072 3.876,1073 3.838,1074 3.851,1075 3.896,1076 3.82,1077 6.351,1078 3.79,1079 3.536,1080 3.584,1081 3.491,1082 3.358,1083 4.942,1084 3.366,1085 3.255,1086 3.317,1087 3.398,1088 3.107,1089 4.705,1090 3.086,1091 3.198,1092 3.227,1093 3.226,1094 3.033,1095 4.588,1096 3.017,1097 3.131,1098 3.18,1099 2.985,1100 2.91,1101 4.296,1102 2.928,1103 3.057,1104 3.12,1105 2.957,1106 2.826,1107 4.122,1108 2.829,1109 0.148,1110 0.119,1111 0.222,1112 0.136,1113 0.104,1114 4.589,1115 0.139,1116 3.679,1117 0.046,1118 6.872,1119 0.368,1120 4.205,1121 0.101,1122 3.236,1123 4.302,1124 1.437,1125 11.395,1126 3.137,1127 1.94,1128 1.917,1129 2.049,1130 2.033,1131 1.225,1132 2.038,1133 1.92,1134 1.899,1135 2.022,1136 1.988,1137 1.199,1138 2.005,1139 1.665,1140 1.645,1141 1.79,1142 1.8,1143 0.938,1144 1.794,1145 1.551,1146 1.536,1147 1.716,1148 1.657,1149 0.901,1150 1.699,1151 1.456,1152 1.404,1153 1.687,1154 1.616,1155 0.842,1156 1.663,1157 1.112,1158 1.037,1159 1.451,1160 1.372,1161 0.596,1162 1.387,1163 1.035,1164 1.022,1165 1.265,1166 1.339,1167 0.309,1168 1.298,1169 1.001,1170 0.941,1171 1.181,1172 1.278,1173 0.218,1174 1.289,1175 4.143,1177 5.476,1178 2.398,1179 6.987,1180 4.844,1181 8.576,1182 7.002,1183 10.206,1185 5.888,1186 5.98,1189 9.032,1190 0.664,1191 3.05,1194 -0.242,1199 33.975,1200 82.389,1201 185.519,1202 229.029,1203 247.029,1204 257.029,1205 257.029,1206 67.218,1207 7.222,1208 66.4,1209 94.64,1210 17,1211 12.532,1212 4.322,1213 3.524,1214 52.471,1215 118,1216 125,1217 0.213,1218 218.187,1219 381.37,1220 524.136,1221 13179,1222 2,1223 21.129,1224 0.729,1225 0.622,1226 21.983,1227 18.026,1228 13.757,1229 0.444,1230 0.336,1231 9.274,1232 12.65,1233 8.796,1234 7.325,1235 14.454,1236 10.428,1237 12.902,1238 0.293,1239 0.201,1240 14.072,1241 8.859,1242 10.332,1243 0.184,1244 0.111,1245 11.279,1246 6.226,1247 8.358,1248 0.119,1249 0.064,1250 9.314,1251 4.514,1252 6.2,1253 0.076,1254 0.037,1255 7.067,1256 3,1257 0.335,1258 91.94,1259 0.225,1260 27.653,1261 0.579,1262 150,1263 441.017,1264 199.839,1265 482.075,1266 635.96,1267 446,1268 175,1269 414.88,1270 212.116,1271 450.41,1272 654.01,1273 423,1274 5.674}
{0 CHEMBL601299,1 1.839,2 11.714,3 5.445,4 29.648,5 114.017,6 10.828,7 0.567,8 3.848,9 3.912,10 3.755,11 3.572,12 5.097,13 3.522,14 4.318,15 4.407,16 4.289,17 3.984,18 5.671,19 3.895,20 4.555,21 4.684,22 4.234,23 4.059,24 5.799,25 3.966,26 4.659,27 4.815,28 4.334,29 3.999,30 5.992,31 3.899,32 4.532,33 4.691,34 4.141,35 3.926,36 5.826,37 3.815,38 4.408,39 4.529,40 4.165,41 3.936,42 5.684,43 3.813,44 4.399,45 4.501,46 4.354,47 3.91,48 5.825,49 3.789,50 4.273,51 4.391,52 4.107,53 3.75,54 5.661,55 3.621,56 0.14,57 0.484,58 2.861,59 3.208,60 17.407,61 3.406,62 0.336,63 0.782,64 12.929,65 6.004,66 43.147,67 6.353,68 0.384,69 0.964,70 13.771,71 7.885,72 47.931,73 9.014,74 0.735,75 1.123,76 30.567,77 10.249,78 91.089,79 10.188,80 0.686,81 0.961,82 28.333,83 9.074,84 88.141,85 9.085,86 0.42,87 0.836,88 24.608,89 8.475,90 53.253,91 8.478,92 0.661,93 0.792,94 27.715,95 7.76,96 80.373,97 6.714,98 0.523,99 0.712,100 24.282,101 7.137,102 58.416,103 6.742,104 38,105 42,106 0.319,107 0.64,108 0.783,109 0.874,110 0.885,111 0.885,112 3.374,113 1.011,114 -5.79,115 -5.66,116 -5.27,118 47.6,120 1,124 1,133 8,134 5,135 1,143 2,145 2,150 1,153 1,154 13,155 1,158 2,160 2,162 3,164 22,165 2,167 3,170 5,171 15,172 2,175 6,179 7,180 11,181 1,184 5,189 4,192 11,196 4,200 2,201 1,202 13,206 2,208 1,209 1,210 1,211 16,215 2,216 1,219 2,222 15,223 1,225 1,226 1,228 1,230 1,233 12,234 1,236 1360,237 18.361,238 18.361,239 18.361,240 18.361,241 18.361,242 15.898,243 20.758,244 10.696,245 19.015,246 14.762,247 14.762,248 14.762,249 14.762,250 14.762,251 11.04,252 25.876,253 5.058,254 15.958,255 3.554,256 1.703,257 0.875,258 0.351,259 0.286,260 0.286,261 4.05,262 1,263 2,265 1,266 1,267 690,268 3.606,270 87.89,271 196.911,277 1.786,278 38.337,280 0.75,281 0.67,282 1,283 0.4,285 1,286 1,287 0.69,288 60.5,289 328,290 4.587,291 3.71,292 6.87,293 4.165,294 3.232,295 4.302,296 1.437,297 11.382,298 3.038,299 4.165,300 3.576,301 5.929,302 3.785,303 2.785,304 3.756,305 1.081,306 8.228,307 2.777,308 4.034,309 3.24,310 5.674,311 3.603,312 2.642,313 3.64,314 0.68,315 7.643,316 2.539,317 3.726,318 2.993,319 5.431,320 3.383,321 2.409,322 3.052,323 0.473,324 6.934,325 2.349,326 3.589,327 2.73,328 5.296,329 3.163,330 2.227,331 2.87,333 6.654,334 2.035,335 3.322,336 2.673,337 4.91,338 2.862,339 1.992,340 2.572,342 5.483,343 1.661,344 3.113,345 2.471,346 4.716,347 2.571,348 1.762,349 2.296,351 4.949,352 1.336,353 2.795,354 1.967,355 4.32,356 2.302,357 1.362,358 1.818,360 3.695,361 1.251,362 2.696,363 1.832,364 3.791,365 2.191,366 1.242,367 1.756,369 2.956,370 1.142,371 2.614,372 1.271,373 3.486,374 2.089,375 1.157,376 1.626,378 2.591,379 1,380 2.5,381 1.165,382 3.414,383 2,384 1,385 1.5,387 2.275,388 0.98,389 1.806,390 1,391 3.228,392 1.511,393 0.559,394 0.649,395 1.335,396 0.508,397 1.357,398 0.739,399 2.907,400 1.017,401 0.059,402 0.074,403 0.162,404 0.053,405 0.967,406 0.463,407 2.392,408 0.575,409 -0.393,410 -0.492,411 -0.887,412 -0.255,413 0.928,414 0.253,415 2.329,416 0.427,417 -0.44,418 -0.553,419 -1.005,420 -0.277,421 14.376,422 0.513,423 0.826,424 0.029,425 36,426 1.286,427 19,428 0.679,429 17,430 0.607,431 25.2,432 0.9,433 28.824,434 0.686,435 26.452,436 0.945,437 7.177,438 0.256,439 6.169,440 0.22,441 0.219,443 0.348,447 0.672,448 0.89,449 0.543,450 0.648,451 0.649,452 0.677,453 0.473,454 0.979,455 0.498,456 0.722,457 0.46,458 0.823,459 0.806,460 1.2,461 0.776,462 0.932,463 0.8,464 1.054,465 0.987,466 1.181,467 0.892,468 1.085,469 1.074,470 1.055,471 1.132,472 0.805,473 1.113,474 0.911,475 1.094,476 0.924,477 1.046,478 1.13,479 1.326,480 1.215,481 0.921,482 1.044,483 1.426,484 0.863,485 1.269,486 0.882,487 1.455,488 0.919,489 1.034,490 1.068,491 1.311,492 1.247,493 0.953,494 1.161,495 6.5,496 0.161,497 3.333,498 2.542,499 1.574,500 1.018,501 0.669,502 0.506,503 0.3,504 0.163,505 9707,506 40056,507 1.993,508 33.3,509 2,510 10,513 2,517 1.71,518 1.826,519 3.497,520 0.282,525 77.226,526 1.839,527 3.69,528 4.517,529 5.041,530 5.107,531 5.107,532 2.931,533 4.522,534 4.776,535 3.692,536 1395.66,537 8.305,538 18785.7,542 226.477,543 1.531,544 4.714,545 0.217,546 0.008,547 0.079,548 0.061,549 0.041,550 0.029,551 0.019,552 0.014,553 0.011,554 0.007,555 0.486,556 0.17,557 0.88,558 0.82,559 141.779,560 -0.078,561 0.106,562 -0.008,563 0.102,564 -0.083,565 0.07,566 0.169,567 0.03,568 0.184,569 0.124,570 0.151,571 0.009,572 -0.052,573 -0.256,574 -0.011,575 -0.094,576 -0.047,577 -0.129,578 0.013,579 -0.155,580 0.066,581 -0.082,582 -0.039,583 -0.043,584 -0.124,585 0.215,586 -0.078,587 0.099,588 -0.094,589 0.098,590 -0.155,591 -0.138,592 -0.182,593 -0.118,594 -0.064,595 -0.047,596 -0.195,597 0.149,598 -0.03,599 0.175,600 -0.238,601 0.008,602 -0.018,603 -0.073,604 -0.106,605 -0.176,606 -0.017,607 -0.179,608 2.666,609 5.738,610 0.607,611 27.684,612 1.029,613 1.1,614 4.564,615 20.829,616 0.778,617 3.434,618 3.761,619 3.989,620 4.22,621 4.357,622 4.357,623 4.394,624 4.443,625 4.543,626 4.543,627 6.943,628 0.739,629 454.77,630 3.434,631 4.977,632 5.814,633 6.688,634 7.544,635 8.422,636 9.286,637 10.166,638 11.035,639 11.918,640 2.4,644 1,651 8,655 1,656 8,658 17,661 1,663 1,669 3,670 42,671 19,672 2,673 30,675 44,676 20,677 16,678 4,679 8,680 2,681 3,682 3,683 3,691 1,693 18,694 2,696 2,698 2,701 2,707 14,708 4,709 2,710 8,711 4,714 1,717 1,718 3,730 1,731 2,746 1,748 3,750 1,753 3,756 28,759 1,760 2,761 1,769 1,772 3,773 7.1,775 1,776 2,779 15.333,780 7.545,781 6.139,782 2.31,785 3.094,786 1.431,787 0.97,788 6.99,789 10.269,790 3.726,791 4.334,792 4.867,793 5.396,794 5.788,795 5.892,796 6.095,797 6.349,798 6.741,799 6.961,800 0.875,801 42,802 10.337,803 4.46,804 8.083,805 19.051,806 15.477,807 2.583,808 72.333,812 141.253,813 140.118,814 18.011,815 117.446,816 92.973,818 31.278,819 108.84,820 351.672,821 18.011,823 22.651,824 75.81,825 98.588,826 22.775,827 78.297,828 172.531,829 39.149,830 141.253,831 126.851,832 92.973,833 148.724,835 141.253,836 92.973,839 25.998,840 100.853,841 39.149,842 109.575,843 141.253,844 110.984,845 257.564,848 141.253,849 64.308,850 75.81,851 18.011,852 210.419,853 141.253,854 110.984,855 257.564,857 0.588,858 0.337,859 0.175,860 0.091,861 19,862 10,863 0.136,864 6,866 1,867 3.92,868 233.047,870 17,871 130.606,872 1,874 21.12,875 9.267,876 5.274,878 110.984,879 13.606,883 1.146,884 4.254,886 60.694,887 509.801,888 40.5,890 23.645,893 -1.339,895 43.2,896 46.2,897 0.341,898 0.684,899 0.838,900 0.935,901 0.947,902 0.947,903 4.958,904 1.362,905 5.814,906 4.949,907 4.443,908 5.021,909 2.179,910 6.616,911 4.315,912 6.183,913 1.242,914 7.376,915 3.695,916 4.111,917 4.89,919 7.522,920 3.892,921 7.496,922 1.157,923 9.035,924 2.956,925 6.033,926 7.208,927 2.548,928 10.606,929 5.835,930 8.843,931 1,932 10.752,933 2.591,934 6.479,935 7.854,937 12.373,938 6.209,939 10.218,940 0.559,941 12.506,942 2.275,943 7.912,944 9.679,945 3.091,946 15.001,947 7.645,948 11.615,949 0.059,950 14.288,951 1.335,952 8.721,953 10.701,955 17.156,956 8.382,957 13.029,958 -0.393,959 16.092,960 0.162,961 9.966,962 12.314,963 3.717,964 19.64,965 9.608,966 3.232,967 -0.44,968 17.915,969 -0.887,970 10.952,971 13.53,973 21.961,974 10.522,975 2.785,976 11.382,977 19.753,978 -1.005,979 12.126,980 15.046,981 4.386,982 24.403,983 11.66,984 2.642,985 8.228,986 21.605,987 4.302,988 13.197,989 16.366,991 26.79,992 12.66,993 2.409,994 7.643,995 23.468,996 3.756,997 14.35,998 17.838,999 5.08,1000 29.222,1001 13.763,1002 2.227,1003 6.934,1004 25.341,1005 3.64,1006 15.465,1007 19.214,1009 31.636,1010 14.806,1011 1.992,1012 6.654,1013 27.223,1014 3.052,1015 16.614,1016 20.668,1017 5.787,1018 34.066,1019 15.898,1020 1.762,1021 5.483,1022 29.111,1023 2.87,1024 17.751,1025 22.076,1027 36.49,1028 16.965,1029 9551,1030 19542,1031 19.304,1032 32.682,1033 45.508,1034 47.36,1035 47.143,1036 45.362,1037 44.857,1038 59.818,1039 7.341,1040 128.576,1041 41.338,1042 5.472,1043 5.71,1044 6.425,1045 5.287,1046 5.232,1047 7.302,1048 2.873,1049 18.393,1050 5.038,1051 16.953,1052 1.517,1053 1.579,1054 1.571,1055 1.512,1056 1.495,1057 1.994,1058 0.245,1059 4.286,1060 1.378,1061 4.011,1062 4.023,1063 4.417,1064 4.014,1065 7.475,1066 3.966,1067 3.927,1068 3.948,1069 3.991,1070 3.871,1071 7.429,1072 3.866,1073 3.818,1074 3.818,1075 3.885,1076 3.813,1077 6.351,1078 3.777,1079 3.449,1080 3.484,1081 3.554,1082 3.242,1083 4.977,1084 3.262,1085 3.212,1086 3.212,1087 3.448,1088 3.033,1089 4.913,1090 3.015,1091 3.076,1092 3.109,1093 3.355,1094 2.948,1095 4.695,1096 2.951,1097 2.877,1098 2.925,1099 3.218,1100 2.79,1101 4.589,1102 2.763,1103 2.854,1104 2.921,1105 2.961,1106 2.735,1107 4.33,1108 2.715,1109 0.153,1110 0.124,1111 0.229,1112 0.139,1113 0.108,1114 4.587,1115 0.143,1116 3.71,1117 0.048,1118 6.87,1119 0.379,1120 4.165,1121 0.101,1122 3.232,1123 4.302,1124 1.437,1125 11.382,1126 3.038,1127 1.929,1128 1.907,1129 2.034,1130 2.02,1131 1.206,1132 2.025,1133 1.916,1134 1.894,1135 2.014,1136 1.983,1137 1.165,1138 2,1139 1.611,1140 1.6,1141 1.681,1142 1.754,1143 0.864,1144 1.732,1145 1.371,1146 1.377,1147 1.529,1148 1.534,1149 0.703,1150 1.54,1151 1.256,1152 1.256,1153 1.244,1154 1.379,1155 0.503,1156 1.359,1157 0.996,1158 0.983,1159 1.181,1160 1.183,1161 0.266,1162 1.207,1163 0.886,1164 0.838,1165 1.092,1166 1.062,1167 0.218,1168 1.107,1169 0.877,1170 0.824,1171 1.061,1172 1.023,1173 0.157,1174 1.083,1175 4.111,1177 5.434,1178 2.398,1179 6.934,1180 4.844,1181 8.515,1182 7.002,1183 10.138,1186 18.61,1189 8.94,1190 0.664,1191 2.807,1199 31.05,1200 77.226,1201 154.968,1202 189.722,1203 211.722,1204 214.477,1205 214.477,1206 69.239,1207 7.175,1208 66.4,1209 94.64,1210 17,1211 12.455,1212 4.322,1213 3.524,1214 49.755,1215 113,1216 122,1217 0.209,1218 206.076,1219 359.89,1220 494.585,1221 12679,1222 7.1,1223 20.259,1224 0.724,1225 0.622,1226 22.112,1227 17.423,1228 13.346,1229 0.445,1230 0.337,1231 8.262,1232 11.9,1233 7.899,1234 6.498,1235 14.621,1236 10.114,1237 12.384,1238 0.295,1239 0.206,1240 14.5,1241 8.656,1242 9.798,1243 0.185,1244 0.113,1245 11.479,1246 5.99,1247 8.085,1248 0.121,1249 0.069,1250 10.257,1251 4.608,1252 5.959,1253 0.077,1254 0.039,1255 7.547,1256 2.967,1257 0.33,1258 95.872,1259 0.228,1260 26.953,1261 0.563,1262 144,1263 487.424,1264 237.584,1265 583.578,1266 743.58,1267 536,1268 167,1269 437.324,1270 227.37,1271 492.685,1272 721.17,1273 460,1274 6.202}
{0 CHEMBL603462,1 1.714,2 12.394,3 5.442,4 29.613,5 122.356,6 8.61,7 0.472,8 4.111,9 4.203,10 3.813,11 3.735,12 5.306,13 3.705,14 4.642,15 4.78,16 4.278,17 4.121,18 6.266,19 4.07,20 4.829,21 4.977,22 4.26,23 4.263,24 6.072,25 4.194,26 5.022,27 5.199,28 4.311,29 4.279,30 6.301,31 4.217,32 5.029,33 5.233,34 4.195,35 4.247,36 6.247,37 4.162,38 5.002,39 5.225,40 4.233,41 4.277,42 6.136,43 4.172,44 4.915,45 5.074,46 4.264,47 4.278,48 6.124,49 4.177,50 5.043,51 5.256,52 4.284,53 4.197,54 6.281,55 4.106,56 0.15,57 0.937,58 8.958,59 5.703,60 33.939,61 6.046,62 0.911,63 1.905,64 19.756,65 9.894,66 170.36,67 10.93,68 0.411,69 1.799,70 28.066,71 12.512,72 57.12,73 13.501,74 0.746,75 2.106,76 33.638,77 13.984,78 125.052,79 15.263,80 0.902,81 1.979,82 35.516,83 13.88,84 156.099,85 15.538,86 0.902,87 2.001,88 39.009,89 14.834,90 163.068,91 16.633,92 0.547,93 1.862,94 31.15,95 13.863,96 94.466,97 15.095,98 0.848,99 2.213,100 42.892,101 15.672,102 142.74,103 17.027,104 69,105 55,106 0.281,107 0.609,108 0.745,109 0.81,110 0.846,111 0.846,112 3.532,113 0.936,114 -6.25,115 -6.09,116 -5.66,118 45.5,119 2,120 3,126 1,127 1,133 8,134 6,142 2,145 2,150 1,153 1,154 16,155 1,158 2,160 2,162 5,164 24,165 2,167 3,170 5,171 19,172 2,175 8,179 7,180 16,181 1,184 5,189 4,192 15,196 4,200 2,201 1,202 20,203 2,206 5,208 1,209 1,210 4,211 19,215 1,216 1,219 1,222 18,223 1,225 1,226 1,228 1,230 1,233 17,234 1,236 2040,237 21.203,238 21.203,239 21.203,240 21.203,241 21.203,242 18.869,243 26.961,244 11.819,245 21.708,246 17.687,247 17.687,248 17.687,249 17.687,250 17.687,251 14.099,252 39.078,253 5.51,254 18.561,255 4.068,256 2.069,257 1.241,258 0.841,259 0.623,260 0.623,261 4.207,265 1,266 1,267 870,268 4.583,269 64.518,270 104.826,271 234.971,277 2.006,278 59.081,280 0.75,281 0.67,282 0.83,283 0.7,284 0.5,285 0.83,286 1,287 0.75,288 74,289 409,290 4.695,291 4.46,292 7.714,293 4.584,294 3.603,295 4.306,296 3.825,297 14.283,298 3.532,299 4.559,300 3.912,301 7.116,302 4.203,303 3.322,304 3.962,305 1.437,306 11.692,307 3.117,308 4.446,309 3.588,310 6.865,311 4.156,312 3.21,313 3.859,314 1.081,315 11.362,316 2.893,317 4.091,318 3.563,319 5.921,320 3.732,321 2.731,322 3.503,323 0.68,324 8.176,325 2.723,326 3.789,327 3.097,328 5.656,329 3.451,330 2.477,331 3.091,332 0.473,333 7.452,334 2.381,335 3.575,336 2.686,337 5.331,338 3.174,339 2.209,340 2.852,342 6.644,343 2.103,344 3.306,345 2.245,346 5.169,347 2.925,348 1.93,349 2.517,351 5.669,352 1.913,353 3.154,354 2.197,355 4.877,356 2.74,357 1.81,358 2.331,360 5.163,361 1.652,362 2.91,363 1.932,364 4.515,365 2.504,366 1.555,367 2.035,369 4.405,370 1.445,371 2.679,372 1.662,373 4.339,374 2.183,375 1.227,376 1.664,378 3.555,379 1.165,380 2.614,381 1.592,382 3.827,383 2.16,384 1.173,385 1.612,387 2.844,388 1.118,389 2.566,390 1.183,391 3.542,392 2.086,393 1.106,394 1.581,395 2.538,396 1.071,397 2.5,398 1,399 3.477,400 2,401 1,402 1.5,403 2.275,404 1,405 1.439,406 0.802,407 3.414,408 1.318,409 0.343,410 0.363,411 0.92,412 0.332,413 1.347,414 0.564,415 3.066,416 1.056,417 0.053,418 0.064,419 0.142,420 0.053,421 15.59,422 0.472,423 1.259,424 0.038,425 39,426 1.182,427 19,428 0.576,429 20,430 0.606,431 33.628,432 1.019,433 36.01,434 0.655,435 33.647,436 1.02,437 7.626,438 0.231,439 7.873,440 0.239,441 0.183,442 0.064,443 0.321,444 3,447 0.581,448 0.831,449 0.677,450 0.863,451 0.606,452 0.848,453 0.331,454 0.708,455 0.661,456 0.859,457 0.337,458 0.874,459 0.628,460 0.958,461 1.174,462 1.269,463 0.568,464 1.13,465 0.924,466 1.054,467 1.032,468 1.179,469 0.914,470 1.177,471 0.945,472 0.802,473 0.983,474 0.877,475 0.954,476 0.994,477 0.88,478 0.723,479 0.988,480 0.795,481 0.872,482 0.822,483 0.627,484 0.957,485 1.224,486 1.335,487 0.665,488 1.273,489 0.863,490 1.093,491 1.006,492 1.19,493 0.892,494 1.081,495 10,496 0.261,497 5,498 3.514,499 2.042,500 1.541,501 1.01,502 0.912,503 0.629,504 0.212,505 14744,506 53501,507 1.994,508 40,509 2,510 8,513 2,514 6,515 4,517 1.755,518 1.8,519 3.564,520 0.192,525 94.261,526 1.714,527 3.713,528 4.54,529 4.94,530 5.158,531 5.158,532 3.036,533 4.514,534 5.014,535 3.775,536 1993.35,537 8.795,538 29577.2,542 317.975,543 1.792,544 4.926,545 0.278,546 0.01,547 0.096,548 0.065,549 0.039,550 0.033,551 0.021,552 0.019,553 0.014,554 0.006,555 0.58,556 0.17,557 0.75,558 0.894,559 174.778,560 -0.041,561 0.05,562 0.023,563 0.104,564 -0.081,565 0.075,566 0.426,567 0.289,568 0.2,569 0.141,570 0.404,571 0.081,572 -0.037,573 -0.122,574 -0.186,575 -0.199,576 0.017,577 -0.143,578 -0.089,579 -0.152,580 -0.12,581 -0.22,582 -0.076,583 -0.21,584 -0.131,585 -0.009,586 -0.069,587 0.046,588 -0.11,589 -0.01,590 -0.091,591 0.159,592 0.067,593 0.234,594 -0.075,595 0.217,596 0.006,597 -0.164,598 -0.184,599 -0.254,600 -0.017,601 -0.27,602 -0.015,603 -0.241,604 0.093,605 -0.149,606 -0.047,607 -0.046,608 5.676,609 6.342,610 0.606,611 34.507,612 1.024,613 1.128,614 5.02,615 25.2,616 0.69,617 3.611,618 4.025,619 4.248,620 4.477,621 4.635,622 4.71,623 4.883,624 4.868,625 4.89,626 4.898,627 7.359,628 0.67,629 473.55,630 3.611,631 5.209,632 6.08,633 7,634 7.892,635 8.814,636 9.716,637 10.638,638 11.548,639 12.472,640 1.8,644 1,651 8,655 1,656 8,658 17,661 1,663 1,670 55,671 19,672 2,673 36,675 58,676 25,677 16,678 4,679 8,680 2,681 4,682 4,685 3,688 2,689 1,690 1,691 3,693 18,694 7,695 1,696 2,698 2,701 2,705 3,707 22,708 7,709 2,710 8,711 1,714 1,717 1,718 3,729 1,730 1,731 2,746 1,748 4,750 1,752 2,754 3,756 33,759 1,760 3,761 1,766 2,769 1,772 3,773 5.5,775 1,776 2,779 18.333,780 10.545,781 6.931,782 3.247,785 3.066,786 1.404,787 0.969,788 6.132,789 10.658,790 3.861,791 4.491,792 5.016,793 5.549,794 5.961,795 6.147,796 6.5,797 6.641,798 6.959,799 7.201,800 1,801 54,802 12.753,803 6.1,804 8.288,805 22.651,806 19.305,807 2.788,808 92,812 235.422,813 167.546,814 18.011,816 92.973,817 44.88,818 31.278,819 136.268,820 328.395,821 62.891,822 17.65,823 25.614,824 75.81,825 98.588,826 63.994,827 2.717,828 266.7,829 7.76,830 235.422,831 154.279,832 137.854,833 31.278,835 188.338,836 184.938,839 51.024,840 103.255,842 31.278,843 280.302,844 110.984,845 167.546,848 243.182,849 66.326,850 93.46,851 18.011,852 137.854,853 235.422,854 155.864,855 167.546,857 0.61,858 0.342,859 0.17,860 0.087,861 28,862 14,863 0.103,864 6,866 1,867 4.218,868 311.711,870 20,871 155.71,872 1,874 23.507,875 8.608,876 4.987,878 155.864,879 11.641,883 1.452,884 3.727,886 60.694,887 558.832,888 46.5,890 24.454,893 -1.28,895 56.301,896 62.048,897 0.296,898 0.642,899 0.785,900 0.855,901 0.892,902 0.892,903 5.16,904 1.81,905 6.159,906 5.669,907 4.71,908 5.179,909 3.356,910 7.089,911 4.625,912 6.434,913 1.555,914 7.814,915 5.163,916 4.745,917 5.231,918 3.903,919 8.538,920 4.572,921 7.8,922 1.227,923 9.585,924 4.405,925 6.521,926 7.398,927 5.471,928 11.565,929 6.353,930 9.2,931 1.173,932 11.425,933 3.555,934 7.3,935 8.169,936 6.69,937 13.795,938 7.053,939 10.628,940 1.106,941 13.31,942 2.844,943 8.689,944 9.908,945 8.064,946 16.492,947 8.433,948 12.077,949 1,950 15.227,951 2.538,952 9.752,953 11.002,954 9.388,955 18.982,956 9.439,957 13.542,958 0.343,959 17.166,960 2.275,961 11.027,962 12.567,963 10.735,964 21.61,965 10.695,966 3.603,967 0.053,968 19.123,969 0.92,970 12.199,971 13.821,972 12.074,973 24.19,974 11.828,975 3.322,976 14.283,977 21.092,978 0.142,979 13.445,980 15.309,981 13.417,982 26.812,983 13.052,984 3.21,985 11.692,986 23.071,987 4.306,988 14.66,989 16.644,990 14.758,991 29.426,992 14.239,993 2.731,994 11.362,995 25.059,996 3.962,997 15.902,998 18.098,999 16.1,1000 32.056,1001 15.462,1002 2.477,1003 8.176,1004 27.053,1005 3.859,1006 17.137,1007 19.477,1008 17.441,1009 34.687,1010 16.676,1011 2.209,1012 7.452,1013 29.053,1014 3.503,1015 18.382,1016 20.917,1017 18.783,1018 37.325,1019 17.905,1020 1.93,1021 6.644,1022 31.057,1023 3.091,1024 19.628,1025 22.321,1026 20.124,1027 39.965,1028 19.134,1029 14326,1030 27462,1031 22.77,1032 37.966,1033 56.589,1034 56.857,1035 57.994,1036 55.797,1037 55.498,1038 70.481,1039 14.991,1040 174.243,1041 52.996,1042 5.647,1043 6.46,1044 7.259,1045 5.694,1046 5.603,1047 7.306,1048 5.335,1049 21.899,1050 5.532,1051 21.797,1052 1.572,1053 1.579,1054 1.611,1055 1.55,1056 1.542,1057 1.958,1058 0.416,1059 4.84,1060 1.472,1061 4.079,1062 4.104,1063 4.275,1064 4.047,1065 8.513,1066 4.015,1067 3.984,1068 4.005,1069 3.973,1070 3.948,1071 7.999,1072 3.931,1073 3.865,1074 3.877,1075 3.888,1076 3.832,1077 7.999,1078 3.809,1079 3.73,1080 3.762,1081 3.664,1082 3.626,1083 7.475,1084 3.623,1085 3.354,1086 3.4,1087 3.371,1088 3.137,1089 7.429,1090 3.148,1091 3.253,1092 3.315,1093 3.256,1094 3.06,1095 6.351,1096 3.057,1097 3.218,1098 3.224,1099 3.15,1100 2.95,1101 4.74,1102 2.997,1103 3.16,1104 3.208,1105 3.032,1106 2.95,1107 4.699,1108 2.954,1109 0.13,1110 0.124,1111 0.214,1112 0.127,1113 0.1,1114 4.695,1115 0.12,1116 4.46,1117 0.106,1118 7.714,1119 0.397,1120 4.584,1121 0.098,1122 3.603,1123 4.306,1124 3.825,1125 14.283,1126 3.532,1127 1.942,1128 1.919,1129 2.044,1130 2.025,1131 1.234,1132 2.03,1133 1.914,1134 1.895,1135 2.009,1136 1.996,1137 1.157,1138 2,1139 1.667,1140 1.648,1141 1.791,1142 1.794,1143 0.959,1144 1.785,1145 1.551,1146 1.537,1147 1.693,1148 1.641,1149 0.902,1150 1.699,1151 1.301,1152 1.272,1153 1.513,1154 1.53,1155 0.825,1156 1.514,1157 1.164,1158 1.112,1159 1.489,1160 1.452,1161 0.685,1162 1.429,1163 1.153,1164 1.064,1165 1.438,1166 1.376,1167 0.615,1168 1.418,1169 1.055,1170 1.01,1171 1.206,1172 1.371,1173 0.279,1174 1.317,1175 4.29,1176 1.946,1177 5.68,1178 4.111,1179 7.252,1180 6.196,1181 8.903,1182 8.205,1183 10.598,1185 3.707,1187 39.378,1189 9.103,1190 1.69,1191 3.105,1196 -4.978,1199 36.824,1200 94.261,1201 204.2,1202 249.71,1203 271.71,1204 283.71,1205 283.71,1206 95.606,1207 7.593,1208 66.4,1209 94.64,1210 20,1211 12.98,1212 4.322,1213 3.524,1214 54.29,1215 142,1216 155,1217 0.183,1218 225.24,1219 406.61,1220 541.346,1221 20431,1222 5.5,1223 23.966,1224 0.726,1225 0.572,1226 21.819,1227 18.862,1228 15.499,1229 0.431,1230 0.312,1231 10.35,1232 14.412,1233 9.991,1234 8.199,1235 14.696,1236 11.23,1237 15.662,1238 0.285,1239 0.178,1240 14.466,1241 9.791,1242 11.847,1243 0.172,1244 0.099,1245 11.544,1246 6.847,1247 9.723,1248 0.112,1249 0.058,1250 9.995,1251 5.074,1252 7.226,1253 0.071,1254 0.032,1255 7.213,1256 3.247,1257 0.287,1258 101.437,1259 0.21,1260 30.544,1261 0.502,1262 182,1263 705.147,1264 233.669,1265 622.879,1266 810.26,1267 574,1268 218,1269 547.299,1270 256.333,1271 554.411,1272 833.14,1273 520,1274 5.302}
{0 CHEMBL603690,1 1.724,2 13,3 5.473,4 29.958,5 119.674,6 8.547,7 0.5,8 4.077,9 4.172,10 3.768,11 3.686,12 5.298,13 3.654,14 4.613,15 4.756,16 4.245,17 4.081,18 6.26,19 4.03,20 4.804,21 4.953,22 4.216,23 4.222,24 6.064,25 4.149,26 4.994,27 5.178,28 4.238,29 4.218,30 6.306,31 4.148,32 4.985,33 5.205,34 4.069,35 4.169,36 6.177,37 4.069,38 4.879,39 5.095,40 4.105,41 4.187,42 5.947,43 4.064,44 4.903,45 5.094,46 4.07,47 4.176,48 6.127,49 4.057,50 4.917,51 5.149,52 3.995,53 4.108,54 6.031,55 3.982,56 0.152,57 0.919,58 8.971,59 5.603,60 32.743,61 5.955,62 0.922,63 1.866,64 19.918,65 9.69,66 169.28,67 10.719,68 0.406,69 1.759,70 27.919,71 12.358,72 58.808,73 13.414,74 0.77,75 2.032,76 33.754,77 13.577,78 121.552,79 14.924,80 0.97,81 1.819,82 36.179,83 13.265,84 169.375,85 15.075,86 0.573,87 1.625,88 33.534,89 13.297,90 108.073,91 15.953,92 0.789,93 1.782,94 34.405,95 13.516,96 125.31,97 14.739,98 0.726,99 1.692,100 35.212,101 13.381,102 129.371,103 16.02,104 86,105 50,106 0.285,107 0.609,108 0.735,109 0.79,110 0.837,111 0.837,112 3.502,113 0.942,114 -6.05,115 -5.9,116 -5.48,118 44.4,119 3,120 1,125 1,127 1,133 8,134 6,142 2,145 2,150 1,153 1,154 15,155 1,158 2,160 2,162 4,164 23,165 2,167 3,170 5,171 17,172 2,175 7,179 7,180 13,181 1,184 5,189 4,192 13,196 4,200 2,201 1,202 17,203 1,206 4,208 1,209 1,210 3,211 17,215 1,216 1,219 1,222 16,223 1,225 1,226 1,228 1,230 1,233 15,234 1,236 1976,237 20.333,238 20.333,239 20.333,240 20.333,241 20.333,242 17.986,243 25.999,244 11.484,245 20.849,246 16.698,247 16.698,248 16.698,249 16.698,250 16.698,251 13.084,252 34.234,253 5.381,254 17.572,255 4.031,256 2.07,257 1.306,258 0.973,259 0.686,260 0.686,261 4.172,265 1,266 1,267 864,268 4.583,270 105.591,271 231.28,277 2.125,278 56.095,280 0.75,281 0.67,282 1,283 0.8,284 0.5,285 1,286 1,287 0.82,288 72,289 416,290 4.59,291 4.46,292 7.111,293 4.209,294 3.315,295 4.302,296 3.825,297 11.658,298 3.138,299 4.437,300 3.679,301 6.872,302 4.165,303 3.234,304 3.83,305 1.437,306 11.394,307 2.877,308 4.203,309 3.576,310 6.076,311 3.858,312 2.867,313 3.784,314 1.081,315 8.74,316 2.838,317 3.884,318 3.166,319 5.872,320 3.611,321 2.621,322 3.184,323 0.68,324 8.012,325 2.581,326 3.81,327 2.978,328 5.635,329 3.462,330 2.48,331 3.153,332 0.473,333 7.375,334 2.413,335 3.574,336 2.675,337 5.297,338 3.174,339 2.204,340 2.853,342 6.567,343 2.111,344 3.175,345 2.2,346 4.898,347 2.774,348 1.841,349 2.36,351 5.253,352 1.696,353 2.945,354 2.078,355 4.586,356 2.553,357 1.619,358 2.047,360 4.662,361 1.48,362 2.889,363 1.984,364 4.431,365 2.473,366 1.51,367 1.95,369 4.107,370 1.419,371 2.647,372 1.619,373 4.035,374 2.176,375 1.22,376 1.649,378 3.173,379 1.135,380 2.5,381 1.405,382 3.652,383 2,384 1,385 1.5,387 2.429,388 1,389 2.5,390 1,391 3.414,392 2,393 1,394 1.5,395 2.275,396 1,397 2.337,398 1,399 3.414,400 1.955,401 0.958,402 1.233,403 2.275,404 0.942,405 1.415,406 0.689,407 3.139,408 1.152,409 0.17,410 0.2,411 0.471,412 0.165,413 0.968,414 0.51,415 2.745,416 0.613,417 -0.367,418 -0.428,419 -0.934,420 -0.356,421 15.09,422 0.472,423 1.204,424 0.038,425 38,426 1.188,427 19,428 0.594,429 19,430 0.594,431 31.756,432 0.992,433 35.31,434 0.654,435 33.018,436 1.032,437 7.671,438 0.24,439 7.297,440 0.228,441 0.222,442 0.033,443 0.364,444 3,447 0.591,448 0.857,449 0.691,450 0.892,451 0.624,452 0.877,453 0.338,454 0.677,455 0.651,456 0.826,457 0.344,458 0.838,459 0.622,460 0.985,461 1.183,462 1.311,463 0.571,464 1.167,465 0.94,466 1.072,467 1.061,468 1.2,469 0.917,470 1.212,471 0.968,472 0.708,473 1.01,474 0.807,475 0.975,476 0.952,477 0.49,478 0.657,479 0.934,480 0.969,481 0.507,482 0.96,483 0.828,484 0.868,485 1.309,486 1.191,487 0.845,488 1.211,489 0.685,490 0.754,491 0.923,492 0.93,493 0.705,494 0.987,495 9,496 0.182,497 4.889,498 3.167,499 1.814,500 1.577,501 0.899,502 0.598,503 0.59,504 0.428,505 13631,506 52500,507 1.933,508 40.7,509 2,510 9,513 2,514 6,515 3,517 1.745,518 1.738,519 3.622,520 0.208,525 93.108,526 1.724,527 3.685,528 4.449,529 4.782,530 5.069,531 5.069,532 3.087,533 4.539,534 4.967,535 3.845,536 1907.16,537 8.69,538 28330.8,542 310.764,543 1.73,544 4.877,545 0.265,546 0.006,547 0.098,548 0.062,549 0.039,550 0.038,551 0.021,552 0.015,553 0.016,554 0.011,555 0.571,556 0.17,557 0.75,558 0.921,559 169.419,560 -0.042,561 0.038,562 0.02,563 0.092,564 -0.094,565 0.062,566 0.427,567 0.33,568 0.221,569 0.186,570 0.404,571 0.127,572 -0.032,573 -0.146,574 -0.189,575 -0.225,576 0.018,577 -0.168,578 -0.097,579 -0.17,580 -0.14,581 -0.239,582 -0.071,583 -0.241,584 -0.15,585 0.082,586 -0.075,587 0.117,588 -0.134,589 0.039,590 0.021,591 0.002,592 0.081,593 0.06,594 0.027,595 0.099,596 -0.073,597 -0.015,598 -0.249,599 -0.129,600 -0.082,601 -0.199,602 -0.021,603 -0.054,604 0.06,605 0.042,606 -0.037,607 0.062,608 5.642,609 6.087,610 0.531,611 35.984,612 1.024,613 1.131,614 4.817,615 23.205,616 0.685,617 3.555,618 3.932,619 4.143,620 4.344,621 4.489,622 4.575,623 4.625,624 4.635,625 4.82,626 4.844,627 7.653,628 0.663,629 461.54,630 3.555,631 5.13,632 5.974,633 6.866,634 7.728,635 8.62,636 9.489,637 10.38,638 11.254,639 12.146,640 1.9,644 1,651 8,655 1,656 8,658 17,661 1,663 1,670 54,671 19,672 2,673 34,675 56,676 24,677 16,678 4,679 8,680 2,681 3,682 3,685 4,690 1,691 2,693 18,694 6,696 2,698 2,701 2,705 3,707 22,708 7,709 2,710 8,711 1,714 1,717 1,718 3,730 1,731 2,746 1,748 3,750 1,752 3,754 3,756 32,759 1,760 1,761 1,764 1,766 1,769 1,772 3,773 5.6,775 1,776 2,779 18.417,780 10.629,781 6.833,782 3.122,785 3.115,786 1.417,787 0.953,788 7.095,789 10.588,790 3.818,791 4.434,792 4.962,793 5.478,794 5.889,795 6.069,796 6.316,797 6.486,798 6.942,799 7.208,800 0.889,801 51,802 12.308,803 5.723,804 8.346,805 21.697,806 17.75,807 2.846,808 91.083,812 235.422,813 171.302,814 18.011,816 92.973,817 44.88,818 31.278,819 140.024,820 328.395,821 62.891,822 26.476,823 20.545,824 75.81,825 98.588,826 63.994,827 2.717,828 266.7,829 7.76,830 235.422,831 158.035,832 137.854,833 31.278,835 200.109,836 173.167,839 54.78,840 103.255,842 31.278,843 280.302,844 110.984,845 171.302,848 243.182,849 61.257,850 102.286,851 18.011,852 137.854,853 235.422,854 155.864,855 171.302,857 0.604,858 0.342,859 0.166,860 0.084,861 23,862 13,863 0.107,864 6,866 1,867 4.132,868 283.605,870 17,871 147.245,872 1,874 24.002,875 9.459,876 5.596,878 155.864,879 11.241,883 1.473,884 3.985,886 60.694,887 562.588,888 44.5,890 24.103,893 -1.297,895 55.301,896 61.048,897 0.3,898 0.64,899 0.773,900 0.831,901 0.881,902 0.881,903 5.089,904 1.619,905 6.028,906 5.253,907 4.615,908 5.121,909 3.356,910 6.891,911 4.524,912 6.339,913 1.51,914 7.641,915 4.662,916 4.511,917 5.094,918 3.903,919 8.065,920 4.303,921 7.677,922 1.22,923 9.359,924 4.107,925 6.315,926 7.315,927 5.471,928 11.073,929 6.124,930 9.046,931 1,932 11.137,933 3.173,934 6.957,935 8.028,936 6.69,937 13.029,938 6.642,939 10.444,940 1,941 12.955,942 2.429,943 8.335,944 9.8,945 8.064,946 15.636,947 8.014,948 11.862,949 0.958,950 14.799,951 2.275,952 9.283,953 10.856,954 9.388,955 17.892,956 8.848,957 13.296,958 0.17,959 16.663,960 2.275,961 10.517,962 12.439,963 10.735,964 20.381,965 10.05,966 3.315,967 -0.367,968 18.543,969 0.471,970 11.594,971 13.669,972 12.074,973 22.752,974 11.027,975 3.234,976 11.658,977 20.435,978 -0.934,979 12.781,980 15.168,981 13.417,982 25.206,983 12.163,984 2.867,985 11.394,986 22.337,987 4.302,988 13.913,989 16.491,990 14.758,991 27.622,992 13.207,993 2.621,994 8.74,995 24.247,996 3.83,997 15.088,998 17.951,999 16.1,1000 30.067,1001 14.32,1002 2.48,1003 8.012,1004 26.163,1005 3.784,1006 16.245,1007 19.326,1008 17.441,1009 32.501,1010 15.397,1011 2.204,1012 7.375,1013 28.085,1014 3.184,1015 17.42,1016 20.771,1017 18.783,1018 34.945,1019 16.506,1020 1.841,1021 6.567,1022 30.012,1023 3.153,1024 18.589,1025 22.174,1026 20.124,1027 37.386,1028 17.601,1029 13548,1030 26795,1031 21.096,1032 36.966,1033 53.166,1034 52.918,1035 54.513,1036 52.362,1037 52.078,1038 67.091,1039 14.991,1040 156.78,1041 49.59,1042 5.48,1043 6.46,1044 6.525,1045 5.313,1046 5.315,1047 7.302,1048 5.335,1049 18.745,1050 5.138,1051 22.802,1052 1.564,1053 1.556,1054 1.603,1055 1.54,1056 1.532,1057 1.973,1058 0.441,1059 4.611,1060 1.459,1061 4.041,1062 4.058,1063 4.273,1064 4.034,1065 8.513,1066 3.991,1067 3.941,1068 3.965,1069 3.904,1070 3.882,1071 7.999,1072 3.877,1073 3.866,1074 3.879,1075 3.881,1076 3.833,1077 7.999,1078 3.81,1079 3.538,1080 3.586,1081 3.491,1082 3.358,1083 7.475,1084 3.366,1085 3.37,1086 3.414,1087 3.388,1088 3.167,1089 7.429,1090 3.178,1091 3.244,1092 3.301,1093 3.228,1094 3.05,1095 6.351,1096 3.046,1097 3.179,1098 3.212,1099 2.992,1100 2.928,1101 4.731,1102 2.951,1103 3.092,1104 3.151,1105 2.983,1106 2.845,1107 4.69,1108 2.853,1109 0.135,1110 0.131,1111 0.209,1112 0.124,1113 0.097,1114 4.59,1115 0.127,1116 4.46,1117 0.113,1118 7.111,1119 0.343,1120 4.209,1121 0.092,1122 3.315,1123 4.302,1124 3.825,1125 11.658,1126 3.138,1127 1.945,1128 1.922,1129 2.052,1130 2.036,1131 1.234,1132 2.041,1133 1.932,1134 1.909,1135 2.039,1136 2.016,1137 1.203,1138 2.023,1139 1.674,1140 1.653,1141 1.798,1142 1.811,1143 0.962,1144 1.801,1145 1.555,1146 1.54,1147 1.719,1148 1.674,1149 0.904,1150 1.706,1151 1.458,1152 1.406,1153 1.687,1154 1.616,1155 0.843,1156 1.664,1157 1.187,1158 1.137,1159 1.472,1160 1.459,1161 0.621,1162 1.434,1163 1.047,1164 1.022,1165 1.278,1166 1.371,1167 0.321,1168 1.331,1169 1.012,1170 0.951,1171 1.181,1172 1.326,1173 0.218,1174 1.298,1175 4.234,1177 5.595,1178 2.398,1179 7.127,1180 4.844,1181 8.732,1182 7.002,1183 10.375,1185 5.537,1187 38.48,1189 9.024,1190 0.346,1191 2.942,1194 -0.358,1196 -4.392,1199 35.824,1200 93.108,1201 198.989,1202 240.235,1203 258.235,1204 273.744,1205 273.744,1206 100.529,1207 7.473,1208 66.4,1209 94.64,1210 17,1211 12.677,1212 4.322,1213 3.524,1214 61.277,1215 142,1216 152,1217 0.204,1218 223.041,1219 401.67,1220 535.98,1221 18294,1222 5.6,1223 23.629,1224 0.738,1225 0.579,1226 21.483,1227 18.526,1228 14.968,1229 0.44,1230 0.314,1231 9.796,1232 13.874,1233 9.402,1234 7.786,1235 14.165,1236 10.678,1237 14.86,1238 0.297,1239 0.18,1240 13.664,1241 8.991,1242 11.268,1243 0.182,1244 0.102,1245 10.991,1246 6.342,1247 9.058,1248 0.119,1249 0.06,1250 9.148,1251 4.597,1252 6.464,1253 0.073,1254 0.034,1255 6.831,1256 2.959,1257 0.324,1258 98.282,1259 0.218,1260 30.11,1261 0.549,1262 168,1263 691.147,1264 219.336,1265 608.493,1266 784.64,1267 560,1268 196,1269 522.018,1270 233.833,1271 528.719,1272 789.37,1273 495,1274 5.262}
{0 CHEMBL604546,1 1.615,2 11.655,3 5.196,4 26.993,5 118.505,6 8.392,7 0.548,8 4.005,9 4.101,10 3.702,11 3.668,12 5.163,13 3.605,14 4.506,15 4.651,16 4.118,17 4.068,18 5.712,19 3.975,20 4.739,21 4.891,22 4.136,23 4.203,24 5.858,25 4.089,26 4.879,27 5.059,28 4.158,29 4.193,30 6.031,31 4.08,32 4.904,33 5.114,34 4.019,35 4.162,36 6.011,37 4.03,38 4.849,39 5.07,40 4.103,41 4.182,42 5.871,43 4.039,44 4.815,45 4.993,46 4.211,47 4.192,48 5.964,49 4.04,50 4.865,51 5.096,52 3.919,53 4.074,54 5.947,55 3.899,56 0.042,57 0.634,58 9.189,59 4.913,60 10.97,61 5.908,62 0.221,63 1.049,64 18.51,65 8.647,66 41.984,67 10.7,68 0.186,69 1.329,70 30.389,71 11.696,72 35.606,73 13.445,74 0.267,75 1.494,76 31.917,77 12.424,78 52.022,79 14.898,80 0.475,81 1.504,82 35.925,83 12.71,84 86.478,85 15.041,86 0.291,87 1.469,88 34.342,89 13.206,90 60.403,91 16.012,92 0.358,93 1.396,94 35.593,95 12.826,96 56.288,97 14.714,98 0.525,99 1.403,100 39.898,101 13.371,102 86.372,103 16.125,104 51,105 44,106 0.27,107 0.607,108 0.767,109 0.839,110 0.868,111 0.868,112 3.408,113 1.009,114 -5.74,115 -5.6,116 -5.22,118 45.1,119 3,120 1,125 1,133 8,134 5,135 1,142 2,145 2,150 1,153 1,154 13,155 1,158 2,160 2,162 4,164 23,165 2,167 3,170 5,171 17,172 2,175 7,179 7,180 14,181 1,184 5,189 4,192 13,196 4,200 2,201 1,202 16,203 1,206 3,208 1,209 1,210 2,211 18,215 2,216 1,219 2,222 17,223 1,225 1,226 1,228 1,230 1,233 13,234 1,236 1445,237 18.861,238 18.861,239 18.861,240 18.861,241 18.861,242 16.423,243 23.145,244 10.887,245 19.262,246 15.24,247 15.24,248 15.24,249 15.24,250 15.24,251 11.552,252 31.693,253 5.128,254 15.896,255 4.057,256 2.035,257 1.079,258 0.647,259 0.476,260 0.476,261 4.081,262 1,265 1,266 1,267 709,268 3.873,270 91.854,271 204.923,277 1.781,278 31.451,280 0.75,281 0.83,282 1,283 0.8,284 0.5,285 1,286 1,287 0.84,288 61.833,289 338,290 4.589,291 3.68,292 6.872,293 4.205,294 3.237,295 4.302,296 1.437,297 11.395,298 3.137,299 4.203,300 3.576,301 6.076,302 3.859,303 2.867,304 3.785,305 1.081,306 8.741,307 2.841,308 4.035,309 3.178,310 5.872,311 3.629,312 2.652,313 3.64,314 0.68,315 8.015,316 2.594,317 3.875,318 3.008,319 5.657,320 3.575,321 2.601,322 3.174,323 0.473,324 7.609,325 2.52,326 3.592,327 2.926,328 5.424,329 3.209,330 2.237,331 2.87,333 6.772,334 2.147,335 3.323,336 2.5,337 4.925,338 2.895,339 1.992,340 2.573,342 5.504,343 1.747,344 3.12,345 2.14,346 4.723,347 2.713,348 1.772,349 2.303,351 4.991,352 1.621,353 2.909,354 2.076,355 4.429,356 2.495,357 1.531,358 1.966,360 4.114,361 1.454,362 2.697,363 1.664,364 4.033,365 2.221,366 1.259,367 1.759,369 3.178,370 1.175,371 2.619,372 1.405,373 3.651,374 2.134,375 1.158,376 1.632,378 2.602,379 1.109,380 2.5,381 1.259,382 3.483,383 2,384 1,385 1.5,387 2.41,388 1,389 2.336,390 1,391 3.414,392 1.951,393 0.953,394 1.231,395 2.275,396 0.938,397 1.361,398 0.639,399 3.076,400 1.102,401 0.115,402 0.135,403 0.325,404 0.112,405 0.967,406 0.461,407 2.596,408 0.588,409 -0.385,410 -0.476,411 -0.88,412 -0.255,413 0.928,414 0.24,415 2.345,416 0.473,417 -0.436,418 -0.544,419 -1.051,420 -0.408,421 14.448,422 0.498,423 0.915,424 0.032,425 36,426 1.241,427 19,428 0.655,429 17,430 0.586,431 28.349,432 0.978,433 30.552,434 0.599,435 27.154,436 0.936,437 7.064,438 0.244,439 6.692,440 0.231,441 0.222,443 0.381,447 0.682,448 0.967,449 0.665,450 0.814,451 0.664,452 0.839,453 0.426,454 0.925,455 0.661,456 0.803,457 0.399,458 0.82,459 0.862,460 1.219,461 1.244,462 1.278,463 0.766,464 1.132,465 0.975,466 1.315,467 0.934,468 1.182,469 0.995,470 1.162,471 1.303,472 0.892,473 1.016,474 0.874,475 1.329,476 0.972,477 0.775,478 0.915,479 0.825,480 0.89,481 0.805,482 0.858,483 0.897,484 1.16,485 1.053,486 1.145,487 0.957,488 1.133,489 0.986,490 0.933,491 1.123,492 1.035,493 0.989,494 1.053,495 7,496 0.173,497 3.778,498 2.917,499 1.614,500 1.222,501 0.847,502 0.569,503 0.325,504 0.202,505 10298,506 33455,507 1.973,508 43.1,509 2,510 9,513 2,514 6,515 3,517 1.721,518 1.794,519 3.495,520 0.194,525 82.389,526 1.615,527 3.638,528 4.594,529 5.025,530 5.197,531 5.197,532 2.935,533 4.582,534 4.827,535 3.678,536 1493.19,537 8.415,538 20356.7,542 289.294,543 1.556,544 4.756,545 0.226,546 0.008,547 0.086,548 0.065,549 0.038,550 0.032,551 0.021,552 0.015,553 0.011,554 0.008,555 0.509,556 0.17,557 0.88,558 0.83,559 147.777,560 -0.06,561 0.082,562 0.02,563 0.093,564 -0.088,565 0.061,566 0.212,567 0.112,568 0.147,569 0.157,570 0.201,571 0.129,572 -0.092,573 -0.166,574 -0.219,575 -0.219,576 -0.037,577 -0.168,578 -0.046,579 -0.306,580 -0.078,581 -0.238,582 -0.038,583 -0.214,584 -0.212,585 0.115,586 -0.111,587 0.057,588 -0.178,589 -0.018,590 -0.017,591 0.097,592 0.099,593 0.134,594 0.003,595 0.151,596 0.016,597 -0.136,598 -0.013,599 -0.088,600 -0.034,601 -0.154,602 -0.012,603 0.025,604 -0.059,605 -0.032,606 -0.043,607 -0.039,608 2.636,609 6.091,610 0.586,611 28.499,612 1.004,613 1.109,614 4.507,615 20.313,616 0.711,617 3.466,618 3.807,619 4.043,620 4.277,621 4.407,622 4.454,623 4.511,624 4.5,625 4.585,626 4.585,627 6.888,628 0.666,629 427.98,630 3.466,631 5.017,632 5.861,633 6.742,634 7.602,635 8.487,636 9.356,637 10.242,638 11.116,639 12.005,640 2,644 1,651 8,655 1,656 8,658 17,661 1,663 1,669 1,670 51,671 19,672 2,673 31,675 53,676 23,677 16,678 4,679 8,680 2,681 3,682 3,683 1,685 3,691 2,693 18,694 5,696 2,698 2,701 2,707 22,708 4,709 2,710 6,711 2,714 1,717 1,718 3,730 1,731 2,746 1,748 3,750 1,752 3,753 1,756 29,759 1,760 1,761 1,764 1,769 1,772 1,773 5.9,775 1,776 2,779 16.167,780 10.093,781 6.333,782 2.988,785 3.062,786 1.424,787 0.954,788 6.76,789 10.284,790 3.75,791 4.36,792 4.897,793 5.43,794 5.818,795 5.957,796 6.193,797 6.38,798 6.761,799 6.979,800 0.875,801 45,802 10.739,803 4.56,804 7.912,805 20.235,806 16.491,807 2.412,808 69.944,811 1,812 235.422,813 163.858,814 18.011,815 39.149,816 92.973,818 31.278,819 132.58,820 367.544,821 18.011,822 26.476,823 20.545,824 75.81,825 98.588,826 19.428,827 2.717,828 266.7,829 39.149,830 235.422,831 150.591,832 92.973,833 70.426,835 200.109,836 128.287,839 47.021,840 103.57,841 39.149,842 31.278,843 235.422,844 110.984,845 203.006,848 235.422,849 61.572,850 102.286,851 18.011,852 132.122,853 235.422,854 110.984,855 203.006,857 0.592,858 0.343,859 0.178,860 0.09,861 20,862 11,863 0.113,864 6,866 1,867 3.933,868 248.132,870 17,871 136.881,872 1,874 21.538,875 9.102,876 5.063,878 110.984,879 14.223,883 1.617,884 6.629,886 60.694,887 549.412,888 41.5,890 24.107,893 -1.095,895 51.203,896 56.558,897 0.285,898 0.641,899 0.81,900 0.886,901 0.916,902 0.916,903 4.992,904 1.531,905 5.872,906 4.991,907 4.489,908 5.047,909 2.179,910 6.691,911 4.415,912 6.221,913 1.259,914 7.447,915 4.114,916 4.205,917 4.934,919 7.624,920 4.085,921 7.538,922 1.158,923 9.119,924 3.178,925 6.098,926 7.232,927 2.548,928 10.71,929 5.976,930 8.887,931 1,932 10.847,933 2.602,934 6.581,935 7.89,937 12.478,938 6.424,939 10.265,940 0.953,941 12.61,942 2.41,943 7.998,944 9.704,945 3.091,946 15.105,947 7.834,948 11.664,949 0.115,950 14.399,951 2.275,952 8.83,953 10.732,955 17.246,956 8.633,957 13.08,958 -0.385,959 16.208,960 0.325,961 10.065,962 12.339,963 3.717,964 19.724,965 9.855,966 3.237,967 -0.436,968 18.033,969 -0.88,970 11.06,971 13.558,973 22.03,974 10.818,975 2.867,976 11.395,977 19.872,978 -1.051,979 12.229,980 15.07,981 4.386,982 24.465,983 11.965,984 2.652,985 8.741,986 21.722,987 4.302,988 13.303,989 16.39,991 26.842,992 13.007,993 2.601,994 8.015,995 23.583,996 3.785,997 14.451,998 17.86,999 5.08,1000 29.268,1001 14.129,1002 2.237,1003 7.609,1004 25.451,1005 3.64,1006 15.564,1007 19.235,1009 31.675,1010 15.209,1011 1.992,1012 6.772,1013 27.328,1014 3.174,1015 16.709,1016 20.687,1017 5.787,1018 34.102,1019 16.325,1020 1.772,1021 5.504,1022 29.211,1023 2.87,1024 17.843,1025 22.094,1027 36.523,1028 17.426,1029 10171,1030 18451,1031 19.709,1032 36.25,1033 47.514,1034 48.709,1035 49.466,1036 46.983,1037 46.747,1038 61.74,1039 7.341,1040 135.86,1041 44.785,1042 5.48,1043 5.68,1044 6.428,1045 5.308,1046 5.237,1047 7.302,1048 2.873,1049 18.482,1050 5.137,1051 18.539,1052 1.533,1053 1.571,1054 1.596,1055 1.516,1056 1.508,1057 1.992,1058 0.237,1059 4.383,1060 1.445,1061 4.034,1062 4.049,1063 4.274,1064 4.033,1065 7.475,1066 3.987,1067 3.937,1068 3.958,1069 3.986,1070 3.882,1071 7.429,1072 3.877,1073 3.838,1074 3.851,1075 3.896,1076 3.82,1077 6.351,1078 3.79,1079 3.536,1080 3.584,1081 3.491,1082 3.358,1083 4.941,1084 3.366,1085 3.254,1086 3.317,1087 3.369,1088 3.099,1089 4.705,1090 3.08,1091 3.197,1092 3.228,1093 3.227,1094 3.028,1095 4.584,1096 3.011,1097 3.128,1098 3.181,1099 3.015,1100 2.906,1101 4.312,1102 2.924,1103 3.054,1104 3.121,1105 2.985,1106 2.824,1107 4.122,1108 2.826,1109 0.148,1110 0.119,1111 0.222,1112 0.136,1113 0.104,1114 4.589,1115 0.139,1116 3.68,1117 0.046,1118 6.872,1119 0.368,1120 4.205,1121 0.101,1122 3.237,1123 4.302,1124 1.437,1125 11.395,1126 3.137,1127 1.94,1128 1.917,1129 2.048,1130 2.033,1131 1.225,1132 2.038,1133 1.92,1134 1.899,1135 2.021,1136 1.987,1137 1.2,1138 2.005,1139 1.666,1140 1.645,1141 1.792,1142 1.8,1143 0.939,1144 1.794,1145 1.551,1146 1.536,1147 1.717,1148 1.658,1149 0.901,1150 1.7,1151 1.456,1152 1.404,1153 1.687,1154 1.616,1155 0.842,1156 1.663,1157 1.115,1158 1.036,1159 1.463,1160 1.372,1161 0.6,1162 1.392,1163 1.035,1164 1.022,1165 1.274,1166 1.341,1167 0.313,1168 1.299,1169 1.002,1170 0.941,1171 1.181,1172 1.286,1173 0.218,1174 1.295,1175 4.143,1177 5.476,1178 2.398,1179 6.987,1180 4.844,1181 8.578,1182 7.002,1183 10.209,1185 5.877,1186 6.112,1189 9.033,1190 0.64,1191 3.047,1194 -0.246,1199 33.975,1200 82.389,1201 185.519,1202 234.274,1203 256.274,1204 265.029,1205 265.029,1206 67.581,1207 7.222,1208 66.4,1209 94.64,1210 17,1211 12.538,1212 4.322,1213 3.524,1214 52.445,1215 117,1216 125,1217 0.215,1218 218.187,1219 381.37,1220 524.136,1221 13179,1222 2,1223 21.129,1224 0.729,1225 0.622,1226 21.983,1227 18.026,1228 13.757,1229 0.444,1230 0.336,1231 9.274,1232 12.65,1233 8.795,1234 7.326,1235 14.454,1236 10.428,1237 12.914,1238 0.294,1239 0.201,1240 14.084,1241 8.862,1242 10.241,1243 0.183,1244 0.11,1245 11.163,1246 6.185,1247 8.567,1248 0.121,1249 0.065,1250 9.626,1251 4.646,1252 6.051,1253 0.075,1254 0.036,1255 6.848,1256 2.921,1257 0.338,1258 91.94,1259 0.225,1260 27.595,1261 0.587,1262 150,1263 441.017,1264 199.839,1265 482.14,1266 635.98,1267 446,1268 175,1269 414.88,1270 212.116,1271 450.546,1272 654.28,1273 423,1274 5.652}
{0 CHEMBL605330,1 1.724,2 12.438,3 5.473,4 29.958,5 119.674,6 8.547,7 0.5,8 4.077,9 4.172,10 3.768,11 3.686,12 5.298,13 3.654,14 4.613,15 4.756,16 4.245,17 4.081,18 6.26,19 4.03,20 4.804,21 4.953,22 4.216,23 4.222,24 6.063,25 4.149,26 4.995,27 5.178,28 4.251,29 4.223,30 6.29,31 4.157,32 4.988,33 5.195,34 4.145,35 4.189,36 6.22,37 4.103,38 4.969,39 5.195,40 4.136,41 4.206,42 6.125,43 4.096,44 4.875,45 5.05,46 4.187,47 4.204,48 6.107,49 4.099,50 4.982,51 5.195,52 4.248,53 4.134,54 6.241,55 4.046,56 0.152,57 0.919,58 8.971,59 5.603,60 32.743,61 5.955,62 0.922,63 1.866,64 19.918,65 9.69,66 169.391,67 10.719,68 0.406,69 1.759,70 27.919,71 12.358,72 58.447,73 13.414,74 0.773,75 2.035,76 33.869,77 13.577,78 128.704,79 14.928,80 0.88,81 1.898,82 34.654,83 13.288,84 153.245,85 14.995,86 0.9,87 1.913,88 38.778,89 14.295,90 163.834,91 16.043,92 0.603,93 1.77,94 31.119,95 13.21,96 96.516,97 14.661,98 0.791,99 2.118,100 40.935,101 14.781,102 132.608,103 16.053,104 86,105 50,106 0.285,107 0.609,108 0.758,109 0.825,110 0.862,111 0.862,112 3.502,113 0.942,114 -6.05,115 -5.9,116 -5.48,118 44.4,119 3,120 1,125 1,127 1,133 8,134 6,142 2,145 2,150 1,153 1,154 15,155 1,158 2,160 2,162 4,164 23,165 2,167 3,170 5,171 17,172 2,175 7,179 7,180 13,181 1,184 5,189 4,192 13,196 4,200 2,201 1,202 17,203 1,206 4,208 1,209 1,210 3,211 17,215 1,216 1,219 1,222 16,223 1,225 1,226 1,228 1,230 1,233 15,234 1,236 1928,237 20.333,238 20.333,239 20.333,240 20.333,241 20.333,242 17.986,243 25.999,244 11.527,245 20.849,246 16.715,247 16.715,248 16.715,249 16.715,250 16.715,251 13.09,252 35.705,253 5.412,254 17.589,255 4.031,256 2.07,257 1.167,258 0.76,259 0.537,260 0.537,261 4.172,265 1,266 1,267 827,268 4.583,270 101.968,271 229.096,277 2.027,278 57.57,280 0.75,281 0.67,282 1,283 0.8,284 0.5,285 1,286 1,287 0.82,288 72,289 398,290 4.591,291 4.46,292 7.116,293 4.217,294 3.322,295 4.303,296 3.825,297 11.692,298 3.139,299 4.447,300 3.679,301 6.872,302 4.166,303 3.232,304 3.859,305 1.437,306 11.392,307 2.897,308 4.203,309 3.576,310 6.076,311 3.858,312 2.867,313 3.784,314 1.081,315 8.74,316 2.838,317 3.882,318 3.166,319 5.872,320 3.61,321 2.62,322 3.176,323 0.68,324 8.013,325 2.579,326 3.783,327 2.979,328 5.638,329 3.442,330 2.469,331 3.088,332 0.473,333 7.42,334 2.373,335 3.573,336 2.685,337 5.324,338 3.172,339 2.204,340 2.852,342 6.619,343 2.103,344 3.177,345 2.199,346 4.902,347 2.775,348 1.84,349 2.364,351 5.262,352 1.697,353 2.941,354 2.078,355 4.528,356 2.543,357 1.596,358 2.055,360 4.461,361 1.485,362 2.882,363 1.932,364 4.411,365 2.462,366 1.493,367 1.948,369 4.061,370 1.422,371 2.643,372 1.592,373 4.033,374 2.172,375 1.217,376 1.648,378 3.167,379 1.132,380 2.569,381 1.405,382 3.652,383 2.09,384 1.109,385 1.596,387 2.551,388 1.076,389 2.5,390 1.183,391 3.492,392 2,393 1,394 1.5,395 2.409,396 1,397 2.336,398 1,399 3.414,400 1.951,401 0.953,402 1.231,403 2.275,404 0.938,405 1.361,406 0.635,407 3.086,408 1.102,409 0.115,410 0.135,411 0.324,412 0.112,413 0.967,414 0.51,415 2.729,416 0.587,417 -0.413,418 -0.504,419 -1.024,420 -0.403,421 15.09,422 0.472,423 1.204,424 0.038,425 38,426 1.188,427 19,428 0.594,429 19,430 0.594,431 32.073,432 1.002,433 35.31,434 0.654,435 33.274,436 1.04,437 7.671,438 0.24,439 7.297,440 0.228,441 0.222,442 0.033,443 0.364,444 3,447 0.591,448 0.857,449 0.691,450 0.892,451 0.624,452 0.877,453 0.338,454 0.677,455 0.651,456 0.826,457 0.343,458 0.838,459 0.622,460 0.985,461 1.183,462 1.311,463 0.572,464 1.167,465 0.939,466 1.058,467 1.044,468 1.176,469 0.927,470 1.181,471 0.939,472 0.819,473 0.977,474 0.887,475 0.945,476 0.997,477 0.898,478 0.765,479 1.059,480 0.871,481 0.89,482 0.889,483 0.648,484 0.905,485 1.143,486 1.212,487 0.683,488 1.18,489 0.844,490 1.13,491 0.988,492 1.214,493 0.878,494 1.074,495 9,496 0.24,497 4.667,498 3.292,499 1.912,500 1.466,501 0.928,502 0.768,503 0.616,504 0.222,505 13247,506 50420,507 1.933,508 40.7,509 2,510 9,513 2,514 6,515 3,517 1.746,518 1.738,519 3.574,520 0.208,525 93.108,526 1.724,527 3.685,528 4.588,529 4.995,530 5.217,531 5.217,532 3.058,533 4.664,534 4.969,535 3.786,536 1877.88,537 8.701,538 27598.9,542 310.764,543 1.73,544 4.877,545 0.265,546 0.01,547 0.093,548 0.065,549 0.04,550 0.033,551 0.021,552 0.017,553 0.015,554 0.007,555 0.565,556 0.17,557 0.75,558 0.921,559 168.59,560 -0.042,561 0.038,562 0.02,563 0.092,564 -0.094,565 0.062,566 0.427,567 0.33,568 0.221,569 0.186,570 0.404,571 0.127,572 -0.032,573 -0.146,574 -0.189,575 -0.225,576 0.018,577 -0.168,578 -0.096,579 -0.155,580 -0.123,581 -0.214,582 -0.08,583 -0.209,584 -0.127,585 -0.021,586 -0.061,587 0.036,588 -0.108,589 -0.015,590 -0.099,591 0.119,592 0.001,593 0.158,594 -0.081,595 0.146,596 0.002,597 -0.12,598 -0.112,599 -0.148,600 -0.02,601 -0.167,602 -0.003,603 -0.259,604 0.116,605 -0.163,606 -0.042,607 -0.04,608 5.679,609 6.096,610 0.531,611 33.609,612 1.024,613 1.131,614 4.817,615 23.205,616 0.685,617 3.555,618 3.932,619 4.143,620 4.357,621 4.511,622 4.554,623 4.663,624 4.654,625 4.779,626 4.804,627 7.404,628 0.663,629 461.54,630 3.555,631 5.13,632 5.974,633 6.868,634 7.731,635 8.624,636 9.496,637 10.388,638 11.265,639 12.157,640 1.9,644 1,651 8,655 1,656 8,658 17,661 1,663 1,670 54,671 19,672 2,673 34,675 56,676 24,677 16,678 4,679 8,680 2,681 3,682 3,685 4,690 1,691 2,693 18,694 6,696 2,698 2,701 2,705 3,707 22,708 7,709 2,710 8,711 1,714 1,717 1,718 3,730 1,731 2,746 1,748 3,750 1,752 3,754 3,756 32,759 1,760 1,761 1,764 1,766 1,769 1,772 3,773 5.6,775 1,776 2,779 18.417,780 10.629,781 6.833,782 3.122,785 3.144,786 1.421,787 0.953,788 7.095,789 10.617,790 3.818,791 4.434,792 4.962,793 5.487,794 5.895,795 6.049,796 6.346,797 6.486,798 6.908,799 7.161,800 1,801 51,802 12.344,803 5.764,804 8.346,805 21.697,806 17.75,807 2.846,808 91.083,812 235.422,813 171.302,814 18.011,816 92.973,817 44.88,818 31.278,819 140.024,820 328.395,821 62.891,822 26.476,823 20.545,824 75.81,825 98.588,826 63.994,827 2.717,828 266.7,829 7.76,830 235.422,831 158.035,832 137.854,833 31.278,835 200.109,836 173.167,839 54.78,840 103.255,842 31.278,843 280.302,844 110.984,845 171.302,848 243.182,849 61.257,850 102.286,851 18.011,852 137.854,853 235.422,854 155.864,855 171.302,857 0.603,858 0.342,859 0.17,860 0.088,861 23,862 13,863 0.107,864 6,866 1,867 4.097,868 286.097,870 17,871 151.245,872 1,874 24.002,875 9.459,876 5.596,878 155.864,879 11.359,883 1.433,884 3.499,886 60.694,887 562.588,888 44.5,890 24.114,893 -1.347,895 55.301,896 61.048,897 0.3,898 0.64,899 0.797,900 0.868,901 0.907,902 0.907,903 5.089,904 1.596,905 6.028,906 5.262,907 4.615,908 5.121,909 3.356,910 6.893,911 4.524,912 6.339,913 1.493,914 7.641,915 4.461,916 4.511,917 5.094,918 3.903,919 8.065,920 4.303,921 7.677,922 1.217,923 9.359,924 4.061,925 6.315,926 7.315,927 5.471,928 11.08,929 6.124,930 9.046,931 1.109,932 11.138,933 3.167,934 6.957,935 8.028,936 6.69,937 13.034,938 6.642,939 10.444,940 1,941 12.956,942 2.551,943 8.337,944 9.801,945 8.064,946 15.647,947 8.016,948 11.863,949 0.953,950 14.801,951 2.409,952 9.286,953 10.86,954 9.388,955 17.902,956 8.852,957 13.297,958 0.115,959 16.666,960 2.275,961 10.521,962 12.444,963 10.735,964 20.393,965 10.056,966 3.322,967 -0.413,968 18.547,969 0.324,970 11.599,971 13.678,972 12.074,973 22.765,974 11.035,975 3.232,976 11.692,977 20.439,978 -1.024,979 12.788,980 15.177,981 13.417,982 25.222,983 12.173,984 2.867,985 11.392,986 22.341,987 4.303,988 13.921,989 16.502,990 14.758,991 27.639,992 13.22,993 2.62,994 8.74,995 24.252,996 3.859,997 15.098,998 17.963,999 16.1,1000 30.086,1001 14.335,1002 2.469,1003 8.013,1004 26.169,1005 3.784,1006 16.257,1007 19.339,1008 17.441,1009 32.521,1010 15.414,1011 2.204,1012 7.42,1013 28.091,1014 3.176,1015 17.433,1016 20.785,1017 18.783,1018 34.968,1019 16.524,1020 1.84,1021 6.619,1022 30.018,1023 3.088,1024 18.604,1025 22.189,1026 20.124,1027 37.41,1028 17.621,1029 13180,1030 25903,1031 21.096,1032 36.966,1033 53.128,1034 53.031,1035 54.478,1036 52.356,1037 52.075,1038 67.08,1039 14.991,1040 156.77,1041 49.584,1042 5.482,1043 6.46,1044 6.661,1045 5.32,1046 5.322,1047 7.303,1048 5.335,1049 18.783,1050 5.139,1051 22.606,1052 1.563,1053 1.56,1054 1.602,1055 1.54,1056 1.532,1057 1.973,1058 0.441,1059 4.611,1060 1.458,1061 4.042,1062 4.058,1063 4.273,1064 4.035,1065 8.513,1066 3.991,1067 3.941,1068 3.965,1069 3.904,1070 3.882,1071 7.999,1072 3.878,1073 3.865,1074 3.877,1075 3.882,1076 3.832,1077 7.999,1078 3.809,1079 3.538,1080 3.585,1081 3.491,1082 3.358,1083 7.475,1084 3.366,1085 3.352,1086 3.398,1087 3.369,1088 3.136,1089 7.429,1090 3.146,1091 3.246,1092 3.305,1093 3.229,1094 3.048,1095 6.351,1096 3.048,1097 3.185,1098 3.217,1099 3.035,1100 2.95,1101 4.731,1102 2.966,1103 3.107,1104 3.165,1105 2.985,1106 2.889,1107 4.69,1108 2.899,1109 0.135,1110 0.131,1111 0.209,1112 0.124,1113 0.098,1114 4.591,1115 0.127,1116 4.46,1117 0.113,1118 7.116,1119 0.344,1120 4.217,1121 0.092,1122 3.322,1123 4.303,1124 3.825,1125 11.692,1126 3.139,1127 1.946,1128 1.923,1129 2.051,1130 2.036,1131 1.236,1132 2.041,1133 1.932,1134 1.909,1135 2.039,1136 2.016,1137 1.203,1138 2.023,1139 1.673,1140 1.652,1141 1.799,1142 1.81,1143 0.96,1144 1.801,1145 1.554,1146 1.539,1147 1.719,1148 1.671,1149 0.904,1150 1.705,1151 1.457,1152 1.405,1153 1.687,1154 1.616,1155 0.843,1156 1.664,1157 1.164,1158 1.112,1159 1.472,1160 1.453,1161 0.615,1162 1.42,1163 1.056,1164 1.022,1165 1.277,1166 1.371,1167 0.318,1168 1.334,1169 1.025,1170 0.976,1171 1.204,1172 1.331,1173 0.26,1174 1.298,1175 4.234,1177 5.595,1178 2.398,1179 7.127,1180 4.844,1181 8.733,1182 7.002,1183 10.379,1185 5.453,1187 39.23,1189 9.024,1190 0.213,1191 2.917,1194 -0.383,1196 -4.429,1199 35.824,1200 93.108,1201 198.989,1202 247.744,1203 269.744,1204 281.744,1205 281.744,1206 103.226,1207 7.473,1208 66.4,1209 94.64,1210 17,1211 12.688,1212 4.322,1213 3.524,1214 61.176,1215 138,1216 152,1217 0.211,1218 223.041,1219 401.67,1220 535.98,1221 18294,1222 5.6,1223 23.629,1224 0.738,1225 0.579,1226 21.483,1227 18.526,1228 14.968,1229 0.44,1230 0.314,1231 9.796,1232 13.874,1233 9.402,1234 7.788,1235 14.165,1236 10.678,1237 14.872,1238 0.297,1239 0.18,1240 13.676,1241 8.994,1242 11.204,1243 0.181,1244 0.102,1245 10.9,1246 6.315,1247 9.085,1248 0.118,1249 0.06,1250 9.357,1251 4.644,1252 6.691,1253 0.074,1254 0.033,1255 6.682,1256 2.987,1257 0.332,1258 98.282,1259 0.218,1260 29.937,1261 0.573,1262 168,1263 691.147,1264 219.336,1265 608.558,1266 784.66,1267 560,1268 196,1269 522.018,1270 233.833,1271 528.854,1272 789.61,1273 495,1274 5.461}
{0 CHEMBL815,1 1.289,2 12.64,3 2.958,4 8.752,5 100.47,6 6.009,8 4.109,9 4.236,10 3.422,11 3.566,12 5.122,13 3.503,14 4.692,15 4.884,16 3.717,17 3.972,18 5.698,19 3.855,20 5.071,21 5.332,22 3.738,23 4.114,24 5.965,25 3.957,26 5.08,27 5.354,28 3.687,29 4.084,30 6.035,31 3.913,32 5.011,33 5.287,34 3.633,35 4.012,36 5.932,37 3.851,38 4.948,39 5.211,40 3.674,41 3.975,42 5.937,43 3.829,44 4.979,45 5.237,46 3.571,47 3.967,48 5.966,49 3.804,50 4.962,51 5.247,52 3.466,53 3.92,54 5.809,55 3.737,56 0.089,57 0.737,58 14.696,59 6.275,60 20.874,61 8.456,62 0.232,63 1.182,64 25.73,65 10.198,66 54.704,67 14.317,68 0.417,69 1.45,70 36.664,71 12.511,72 83.945,73 18.312,74 0.542,75 1.422,76 36.864,77 12.32,78 102.547,79 18.184,80 0.426,81 1.32,82 34.328,83 11.404,84 86.118,85 16.83,86 0.449,87 1.262,88 32.588,89 10.869,90 89.229,91 15.96,92 0.573,93 1.263,94 33.792,95 10.855,96 102.742,97 15.971,98 0.438,99 1.22,100 32.47,101 10.571,102 80.81,103 15.738,104 65,105 31,106 0.216,107 0.495,108 0.749,109 0.9,110 0.923,111 0.923,112 3.265,113 1.145,114 -3.44,115 -3.42,116 -3.27,118 33.9,119 1,120 9,121 2,125 3,129 4,145 1,150 1,153 1,154 13,155 1,158 1,160 1,162 7,164 14,165 1,167 1,170 7,171 13,172 1,175 1,178 1,179 7,180 12,181 1,184 1,189 6,192 10,193 1,196 1,199 1,200 7,202 11,203 1,206 1,209 1,210 6,211 10,212 1,215 1,219 6,222 9,223 1,226 1,230 5,231 1,233 7,234 2,236 1176,237 16.441,238 16.441,239 16.441,240 16.441,241 16.441,242 15.82,243 15.633,244 10.401,245 16.553,246 12.304,247 12.304,248 12.304,249 12.304,250 12.304,251 11.347,252 15.699,253 4.94,254 12.525,255 4.594,256 2.936,257 1.424,258 0.521,259 0.386,260 0.386,261 3.91,265 1,266 1,267 612,268 4.472,270 87.064,277 2.266,278 37.071,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 55,289 316,290 4.172,291 3.596,292 6.682,293 4.13,294 3.148,295 3.21,296 2.341,297 10.723,298 3.088,299 3.552,300 3.336,301 5.354,302 3.336,303 2.374,304 2.713,305 0.765,306 6.314,307 2.275,308 3.503,309 2.813,310 5.027,311 3.241,312 2.236,313 2.572,315 5.958,316 2.223,317 3.209,318 2.38,319 4.663,320 3.002,321 2.041,322 2.269,324 5.184,325 1.956,326 2.989,327 2.148,328 4.657,329 2.761,330 1.78,331 1.989,333 4.755,334 1.74,335 2.746,336 1.912,337 3.799,338 2.618,339 1.628,340 1.727,342 3.45,343 1.607,344 2.572,345 1.648,346 3.621,347 2.539,348 1.555,349 1.57,351 3.08,352 1.523,353 2.311,354 1.522,355 3.417,356 2.108,357 1.123,358 1.239,360 2.418,361 1.099,362 2.15,363 1.1,364 3.112,365 1.832,366 0.836,367 0.983,369 1.735,370 0.831,371 1.644,372 0.841,373 2.74,374 1.563,375 0.588,376 0.616,378 1.076,379 0.569,380 1.411,381 0.685,382 2.505,383 1.241,384 0.249,385 0.273,387 0.52,388 0.245,389 1.006,390 0.413,391 2.335,392 0.779,393 -0.203,394 -0.221,395 -0.432,396 -0.197,397 0.618,398 0.169,399 2.121,400 0.551,401 -0.418,402 -0.433,403 -0.725,404 -0.4,405 0.507,406 -0.072,407 1.85,408 0.332,409 -0.562,410 -0.566,411 -1.303,412 -0.491,413 0.437,414 -0.259,415 1.739,416 0.247,417 -0.724,418 -0.773,419 -1.625,420 -0.693,421 11.667,422 0.467,423 0.548,424 0.022,425 17.25,426 0.69,427 3.5,428 0.14,429 13.75,430 0.55,431 30.719,432 1.229,433 31.533,434 0.534,435 11.948,436 0.478,437 2.755,438 0.11,439 9.197,440 0.368,441 0.186,443 0.257,447 0.933,448 1.302,449 1.095,450 1.295,451 0.927,452 1.233,453 0.622,454 1.428,455 1.083,456 1.43,457 0.606,458 1.351,459 0.94,460 1.076,461 1.015,462 1.076,463 0.937,464 1.061,465 0.867,466 0.996,467 0.968,468 1,469 0.842,470 1.002,471 0.953,472 0.967,473 0.95,474 0.965,475 0.92,476 0.958,477 0.867,478 1.051,479 0.93,480 1.045,481 0.822,482 1.004,483 1.119,484 1.028,485 1.115,486 1.035,487 1.056,488 1.07,489 0.976,490 0.938,491 0.98,492 0.942,493 0.951,494 0.959,495 4.5,496 0.159,497 2.444,498 1.889,499 0.81,500 0.691,501 0.493,502 0.269,503 0.211,504 0.225,505 6876,506 17623,507 1.867,508 57.6,509 15,510 7,513 4,514 2,515 4,516 2,517 1.678,518 1.724,519 3.582,520 1.697,522 1,525 76.054,526 1.289,527 2.947,528 4.458,529 5.361,530 5.497,531 5.497,532 3.079,533 3.974,534 4.603,535 3.794,536 1138.29,537 7.96,538 15027.6,540 1,541 1,542 347.076,543 1.479,544 4.553,545 0.18,546 0.008,547 0.079,548 0.063,549 0.029,550 0.026,551 0.018,552 0.011,553 0.01,554 0.01,555 0.433,556 0.17,557 0.88,558 2.72,559 124.735,560 -0.106,561 0.103,562 -0.039,563 0.095,564 -0.113,565 0.047,566 0.074,567 -0.182,568 -0.096,569 -0.186,570 0.085,571 -0.174,572 -0.064,573 -0.051,574 -0.044,575 -0.049,576 -0.072,577 -0.044,578 0.008,579 -0.006,580 -0.007,581 -0.007,582 0.006,583 -0.01,584 -0.059,585 0.016,586 0.014,587 0.021,588 -0.05,589 0.029,590 0.042,591 -0.04,592 0.045,593 -0.033,594 0.048,595 0.002,596 -0.058,597 -0.037,598 -0.115,599 -0.048,600 -0.047,601 -0.087,602 -0.075,603 0.015,604 -0.023,605 0.015,606 -0.077,607 0.007,608 2.453,609 4.176,610 0.2,611 30.688,612 0.994,613 1.137,614 2.207,615 4.872,616 0.597,617 3.258,618 3.466,619 3.584,620 3.738,621 3.761,622 3.738,623 3.714,624 3.714,625 3.714,626 3.689,627 7.348,628 0.551,629 354.54,630 3.258,631 4.727,632 5.501,633 6.323,634 7.13,635 7.968,636 8.796,637 9.646,638 10.489,639 11.347,670 59,671 3,673 25,675 59,676 20,681 1,682 1,685 1,688 3,689 2,691 12,693 5,694 15,695 2,696 3,698 1,699 4,701 1,704 1,707 34,708 5,709 4,710 5,717 1,718 5,719 3,730 1,739 1,741 4,746 4,748 1,752 1,756 25,759 4,760 9,764 5,773 8.5,774 3,775 1,776 1,779 14.5,780 9.717,781 5.917,782 3.944,785 0.84,786 1.134,787 0.8,788 10.905,789 7.12,790 3.367,791 3.638,792 3.807,793 4.043,794 4.205,795 4.369,796 4.443,797 4.511,798 4.575,799 4.635,800 0.889,801 30,802 9.394,803 3.896,804 8.013,805 18,806 14.671,807 2.513,808 62.833,811 1,812 353.133,813 70.451,816 195.878,819 70.451,820 549.011,822 8.825,823 22.811,824 165.955,825 68.738,828 353.133,830 353.133,831 70.451,832 195.878,835 282.506,836 138.455,837 128.05,839 31.636,840 0.91,841 37.905,843 353.133,844 195.878,845 70.451,848 353.133,849 23.721,850 46.73,852 195.878,853 353.133,854 195.878,855 70.451,857 0.549,858 0.29,859 0.146,860 0.075,861 9,862 6,863 0.203,864 12,866 1,867 3.751,868 170.895,870 5,871 114.096,874 22.042,875 12.369,876 8.774,878 195.878,886 170.733,887 619.462,888 28,890 10.46,891 7.526,893 -0.787,895 58.658,896 67.105,897 0.219,898 0.501,899 0.758,900 0.911,901 0.934,902 0.934,903 4.575,904 1.123,905 5.442,906 3.08,907 4.143,908 4.317,909 2.373,910 6.151,911 4.103,912 5.659,913 0.836,914 6.942,915 2.418,916 3.611,917 3.761,918 2.243,919 6.952,920 3.501,921 6.872,922 0.588,923 8.554,924 1.735,925 5.617,926 5.948,927 3.646,928 10.044,929 5.54,930 8.112,931 0.249,932 10.237,933 1.076,934 5.943,935 6.176,936 4.112,937 11.812,938 5.803,939 9.387,940 -0.203,941 11.97,942 0.52,943 7.418,944 7.838,945 5.204,946 14.431,947 7.3,948 10.687,949 -0.418,950 13.74,951 -0.432,952 8.181,953 8.465,954 5.889,955 16.585,956 8.016,957 12.007,958 -0.562,959 15.539,960 -0.725,961 9.442,962 9.884,963 6.849,964 19.047,965 9.284,966 3.148,967 -0.724,968 17.361,969 -1.303,970 10.419,971 10.735,972 7.625,973 21.342,974 10.227,975 2.374,976 10.723,977 19.2,978 -1.625,979 11.6,980 12.03,981 8.526,982 23.747,983 11.403,984 2.236,985 6.314,986 21.053,987 3.21,988 12.673,989 13.009,990 9.342,991 26.092,992 12.45,993 2.041,994 5.958,995 22.916,996 2.713,997 13.827,998 14.239,999 10.216,1000 28.477,1001 13.592,1002 1.78,1003 5.184,1004 24.787,1005 2.572,1006 14.941,1007 15.295,1008 11.051,1009 30.839,1010 14.684,1011 1.628,1012 4.755,1013 26.665,1014 2.269,1015 16.088,1016 16.491,1017 11.912,1018 33.216,1019 15.815,1020 1.555,1021 3.45,1022 28.548,1023 1.989,1024 17.22,1025 17.591,1026 12.755,1027 35.585,1028 16.927,1029 7346,1030 11849,1031 15.603,1032 35.216,1033 35.878,1034 35.915,1035 36.595,1036 35.271,1037 35.115,1038 38.321,1039 6.211,1040 90.425,1041 34.315,1042 5.085,1043 5.468,1044 6.593,1045 5.111,1046 5.128,1047 5.599,1048 3.925,1049 17.488,1050 5.069,1051 16.292,1052 1.435,1053 1.437,1054 1.464,1055 1.411,1056 1.405,1057 1.533,1058 0.248,1059 3.617,1060 1.373,1061 3.974,1062 4.011,1063 3.874,1064 3.875,1065 7.474,1066 3.869,1067 3.76,1068 3.817,1069 3.623,1070 3.639,1071 6.465,1072 3.625,1073 3.736,1074 3.784,1075 3.599,1076 3.605,1077 6.449,1078 3.593,1079 3.54,1080 3.597,1081 3.399,1082 3.396,1083 6.434,1084 3.385,1085 3.48,1086 3.518,1087 3.353,1088 3.309,1089 6.351,1090 3.311,1091 3.223,1092 3.302,1093 3.024,1094 3.063,1095 4.429,1096 3.04,1097 3.157,1098 3.205,1099 2.99,1100 2.921,1101 4.288,1102 2.93,1103 2.979,1104 3.035,1105 2.797,1106 2.704,1107 4.157,1108 2.703,1109 0.167,1110 0.144,1111 0.267,1112 0.165,1113 0.126,1114 4.172,1115 0.128,1116 3.596,1117 0.094,1118 6.682,1119 0.429,1120 4.13,1121 0.124,1122 3.148,1123 3.21,1124 2.341,1125 10.723,1126 3.088,1127 1.84,1128 1.8,1129 2.037,1130 1.972,1131 1.37,1132 1.995,1133 1.773,1134 1.721,1135 2.004,1136 1.927,1137 1.33,1138 1.955,1139 1.68,1140 1.627,1141 1.903,1142 1.843,1143 1.23,1144 1.864,1145 1.593,1146 1.547,1147 1.822,1148 1.789,1149 1.15,1150 1.798,1151 1.477,1152 1.422,1153 1.747,1154 1.687,1155 1.015,1156 1.707,1157 1.361,1158 1.313,1159 1.612,1160 1.575,1161 0.796,1162 1.58,1163 1.161,1164 1.09,1165 1.468,1166 1.399,1167 0.649,1168 1.426,1169 0.972,1170 0.915,1171 1.302,1172 1.28,1173 0.51,1174 1.279,1175 3.932,1177 5.165,1178 2.398,1179 6.558,1180 4.844,1181 8.04,1182 6.986,1183 9.583,1185 2.123,1189 38.952,1190 6.407,1194 -1.849,1199 32.53,1200 76.054,1201 173.845,1202 263.037,1203 316.321,1204 324.321,1205 324.321,1206 123.998,1207 6.28,1208 97.99,1209 97.99,1210 5,1211 11.903,1212 2,1213 2,1214 71.876,1215 104,1216 122,1217 0.324,1218 206.423,1219 378.23,1220 495.432,1221 3962,1223 18.656,1224 0.746,1225 0.61,1226 18.656,1227 15.257,1228 11.952,1229 0.478,1230 0.382,1231 9.464,1232 11.597,1233 9.272,1234 7.728,1235 11.952,1236 9.546,1237 10.082,1238 0.325,1239 0.228,1240 10.082,1241 7.053,1242 7.118,1243 0.203,1244 0.14,1245 7.118,1246 4.911,1247 5.427,1248 0.132,1249 0.083,1250 5.427,1251 3.405,1252 3.718,1253 0.089,1254 0.049,1255 3.718,1256 2.064,1257 0.523,1258 74.596,1259 0.253,1260 25.142,1261 0.844,1262 112,1263 314.334,1264 122.739,1265 294.066,1266 367.34,1267 270,1268 122,1269 231.485,1270 130.306,1271 230.878,1272 330,1273 218,1274 7.367}
{0 CHEMBL87371,1 1.883,2 11.037,3 5.291,4 27.995,5 111.229,6 10.959,7 0.586,8 3.801,9 3.851,10 3.866,11 3.579,12 4.989,13 3.502,14 4.274,15 4.34,16 4.232,17 3.957,18 5.762,19 3.856,20 4.505,21 4.619,22 4.349,23 4.019,24 5.829,25 3.912,26 4.477,27 4.595,28 4.048,29 3.904,30 6.032,31 3.829,32 4.448,33 4.603,34 3.945,35 3.863,36 5.729,37 3.767,38 4.426,39 4.588,40 3.992,41 3.829,42 5.722,43 3.721,44 4.331,45 4.483,46 3.955,47 3.728,48 5.67,49 3.601,50 4.192,51 4.32,52 3.867,53 3.6,54 5.603,55 3.487,56 0.117,57 0.482,58 4.025,59 3.453,60 18.711,61 3.241,62 0.354,63 0.767,64 9.897,65 6.116,66 46.007,67 5.852,68 0.481,69 0.982,70 24.563,71 9.063,72 64.752,73 8.339,74 0.571,75 0.932,76 20.067,77 8.14,78 98.081,79 7.831,80 0.432,81 0.923,82 15.965,83 7.8,84 60.085,85 8.082,86 0.403,87 0.897,88 16.868,89 7.866,90 54.536,91 8.532,92 0.445,93 0.82,94 21.765,95 7.779,96 57.226,97 7.593,98 0.452,99 0.716,100 21.106,101 6.878,102 62.598,103 5.857,104 26,105 41,106 0.326,107 0.557,108 0.735,109 0.867,110 0.905,111 0.914,112 3.34,113 1.119,114 -4.95,115 -4.85,116 -4.55,118 47.5,129 2,133 9,134 3,135 2,141 1,143 1,145 1,154 13,157 1,158 1,160 3,162 1,164 19,167 5,170 3,171 21,174 2,175 5,179 2,180 16,184 6,189 2,192 13,196 6,200 3,202 10,206 7,210 3,211 8,215 7,219 1,222 7,226 7,230 1,233 8,236 1130,237 17.731,238 17.731,239 17.731,240 17.731,241 17.731,242 15.069,243 7.867,244 10.398,245 18.315,246 14.288,247 14.288,248 14.288,249 14.288,250 14.288,251 10.262,252 4.925,253 4.906,254 15.382,255 3.439,256 2.108,257 1.082,258 0.319,259 0.1,260 0.05,261 4.014,262 2,265 1,266 1,267 630,268 3.873,270 85.183,271 185.841,277 1.597,278 38.132,280 1,281 1,282 1,283 0.4,285 1,286 1,287 0.77,288 58.167,289 298,290 4.855,291 4.689,292 7.307,293 4.29,294 3.39,295 4.705,296 0.98,297 12.497,298 3.047,299 4.424,300 3.424,301 6.516,302 4.039,303 3.052,304 4.115,306 10.243,307 3.015,308 4.079,309 3.324,310 5.893,311 3.587,312 2.689,313 3.676,315 8.052,316 2.395,317 3.709,318 2.953,319 5.236,320 3.287,321 2.3,322 3.106,324 6.345,325 2.227,326 3.524,327 2.183,328 5.131,329 2.981,330 2.032,331 2.893,333 5.954,334 1.858,335 3.369,336 2.065,337 4.676,338 2.874,339 1.92,340 2.672,342 5.017,343 1.79,344 2.956,345 2.021,346 4.09,347 2.482,348 1.481,349 2.118,351 3.552,352 1.481,353 2.821,354 1.523,355 3.994,356 2.307,357 1.414,358 1.95,360 3.382,361 1.203,362 2.612,363 1.184,364 3.605,365 2.115,366 1.131,367 1.663,369 2.785,370 1.092,371 2.381,372 1.173,373 3.506,374 1.81,375 0.885,376 1.293,378 2.091,379 0.8,380 2.313,381 0.861,382 3.116,383 1.6,384 0.618,385 0.951,387 1.381,388 0.594,389 2.118,390 0.668,391 3,392 1.461,393 0.599,394 0.927,395 1.372,396 0.506,397 1.414,398 0.618,399 2.772,400 0.932,401 0.13,402 0.16,403 0.286,404 0.083,405 1,406 0.356,407 2.598,408 0.621,409 -0.322,410 -0.384,411 -0.853,412 -0.285,413 1,414 -0.045,415 2.374,416 0.498,417 -0.508,418 -0.698,419 -1.314,420 -0.445,421 13.995,422 0.518,423 0.807,424 0.03,425 38,426 1.407,427 22,428 0.815,429 16,430 0.593,431 20.367,432 0.754,433 27.405,434 0.685,435 28.801,436 1.067,437 7.382,438 0.273,439 5.483,440 0.203,441 0.174,442 0.06,443 0.25,447 0.462,448 0.986,449 0.638,450 0.916,451 0.627,452 0.727,453 0.497,454 0.99,455 0.727,456 0.863,457 0.553,458 0.91,459 0.928,460 1.123,461 0.943,462 1.121,463 1.004,464 1.019,465 1.003,466 1.067,467 0.967,468 1.021,469 0.936,470 1.052,471 0.962,472 0.961,473 0.701,474 0.824,475 1.034,476 0.992,477 0.975,478 1.031,479 0.756,480 0.816,481 0.969,482 0.959,483 1.29,484 1.026,485 1.177,486 0.984,487 1.145,488 1.016,489 1.663,490 0.904,491 1.375,492 1.029,493 1.56,494 0.956,495 6.5,496 0.123,497 4,498 1.965,499 1.451,500 0.788,501 0.64,502 0.449,503 0.347,504 0.237,505 8840,506 35901,507 2.005,508 32.5,510 11,511 1,513 1,517 1.7,518 1.851,519 3.434,520 -0.272,525 75.306,526 1.883,527 3.214,528 4.24,529 5.003,530 5.222,531 5.272,532 2.876,533 4.533,534 4.73,535 3.608,536 1266.33,537 8.205,538 16599.3,542 212.877,543 1.623,544 4.663,545 0.224,546 0.006,547 0.098,548 0.049,549 0.038,550 0.024,551 0.02,552 0.016,553 0.013,554 0.009,555 0.497,556 0.17,557 1,558 0.627,559 134.799,560 0.07,561 -0.007,562 0.074,563 -0.045,564 -0.133,565 0.043,566 0.247,567 -0.008,568 0.015,569 0.005,570 0.198,571 -0.113,572 -0.005,573 -0.146,574 0.035,575 -0.128,576 -0.081,577 -0.061,578 0.022,579 -0.099,580 -0.17,581 -0.144,582 0.17,583 -0.138,584 -0.101,585 -0.012,586 0.006,587 0.017,588 -0.116,589 -0.015,590 -0.076,591 -0.082,592 0.066,593 0.062,594 -0.06,595 0.057,596 -0.21,597 -0.029,598 -0.099,599 0.013,600 -0.105,601 0.016,602 -0.369,603 0.139,604 -0.223,605 0.041,606 -0.228,607 0.033,608 4.774,609 5.09,610 0.63,611 23.191,612 1.027,613 1.094,614 3.719,615 13.828,616 0.793,617 3.401,618 3.738,619 3.951,620 4.143,621 4.248,622 4.248,623 4.263,624 4.29,625 4.29,626 4.277,627 6.651,628 0.747,629 438.37,630 3.401,631 4.949,632 5.784,633 6.661,634 7.513,635 8.39,636 9.248,637 10.126,638 10.986,639 11.863,640 2.5,644 1,651 10,655 1,656 6,658 17,669 2,670 40,671 21,672 2,673 29,675 42,676 19,677 16,678 5,679 7,680 3,681 3,682 3,683 2,693 19,696 4,697 1,698 3,699 2,701 1,707 13,708 4,709 1,710 8,711 4,714 1,717 1,718 3,730 1,731 2,741 2,748 3,750 2,753 2,756 27,758 1,761 1,769 1,772 2,773 7.5,776 3,779 14.583,780 7.119,781 5.875,782 2.127,785 3.637,786 1.52,787 1.005,788 6.248,789 10.635,790 3.75,791 4.385,792 4.901,793 5.429,794 5.845,795 6.07,796 6.356,797 6.68,798 6.972,799 7.179,800 1,801 40,802 10.221,803 4.661,804 8.098,805 18.443,806 15.13,807 2.598,808 70.139,812 141.253,813 170.236,814 16.405,815 78.297,816 69.458,818 37.085,819 133.15,820 289.008,821 16.405,823 16.405,824 117.695,825 74.163,826 16.558,827 11.771,828 160.76,829 78.297,830 141.253,831 149.555,832 69.458,833 115.382,835 141.253,836 69.458,839 16.405,840 114.198,841 103.057,842 31.278,843 141.253,844 85.863,845 248.533,847 5.807,848 141.253,849 52.54,850 111.888,851 16.405,852 147.755,853 141.253,854 85.863,855 248.533,857 0.589,858 0.339,859 0.172,860 0.085,861 19,862 9,863 0.119,864 5,866 1,867 3.835,868 221.997,870 17,871 126.382,872 1,873 1,874 19.93,875 8.465,876 4.919,878 85.863,879 17.283,883 1.038,884 3.358,886 16.405,887 475.649,888 41.5,889 -3.858,890 36.243,891 2.735,893 -0.729,895 41.069,896 43.761,897 0.354,898 0.604,899 0.797,900 0.94,901 0.981,902 0.991,903 4.978,904 1.414,905 5.808,906 3.552,907 4.419,908 5.072,909 1.072,910 6.65,911 4.287,912 6.233,913 1.131,914 7.401,915 3.382,916 4.205,917 5.112,919 7.861,920 3.948,921 7.583,922 0.885,923 9.11,924 2.785,925 6.094,926 7.386,927 1.045,928 10.884,929 5.838,930 8.977,931 0.618,932 10.893,933 2.091,934 6.698,935 8.259,937 12.93,938 6.302,939 10.408,940 0.599,941 12.724,942 1.381,943 8.112,944 10.039,945 1.019,946 15.566,947 7.711,948 11.864,949 0.13,950 14.588,951 1.372,952 9.059,953 11.272,955 17.907,956 8.528,957 13.342,958 -0.322,959 16.477,960 0.286,961 10.316,962 12.882,963 0.993,964 20.443,965 9.753,966 3.39,967 -0.508,968 18.384,969 -0.853,970 11.407,971 14.276,973 22.89,974 10.731,975 3.052,976 12.497,977 20.306,978 -1.314,979 12.614,980 15.827,981 0.967,982 25.403,983 11.883,984 2.689,985 10.243,986 22.238,987 4.705,988 13.765,989 17.294,991 27.89,992 12.932,993 2.3,994 8.052,995 24.179,996 4.115,997 14.961,998 18.827,999 0.942,1000 30.401,1001 14.055,1002 2.032,1003 6.345,1004 26.127,1005 3.676,1006 16.139,1007 20.328,1009 32.906,1010 15.136,1011 1.92,1012 5.954,1013 28.082,1014 3.106,1015 17.335,1016 21.859,1017 0.917,1018 35.419,1019 16.249,1020 1.481,1021 5.017,1022 30.041,1023 2.893,1024 18.527,1025 23.378,1027 37.932,1028 17.345,1029 8628,1030 17569,1031 18.781,1032 31.71,1033 43.977,1034 45.522,1035 44.277,1036 43.324,1037 43.285,1038 60.456,1039 1.96,1040 125.914,1041 40.181,1042 5.705,1043 6.689,1044 6.99,1045 5.436,1046 5.39,1047 7.705,1048 1.96,1049 19.825,1050 5.047,1051 14.88,1052 1.516,1053 1.57,1054 1.527,1055 1.494,1056 1.493,1057 2.085,1058 0.068,1059 4.342,1060 1.386,1061 4.071,1062 4.056,1063 4.784,1064 4.105,1065 7.718,1066 3.997,1067 4,1068 3.987,1069 4.13,1070 3.981,1071 7.428,1072 3.942,1073 3.774,1074 3.792,1075 4.01,1076 3.732,1077 6.999,1078 3.719,1079 3.611,1080 3.625,1081 3.852,1082 3.543,1083 5.049,1084 3.48,1085 3.404,1086 3.395,1087 3.438,1088 3.317,1089 4.748,1090 3.271,1091 2.98,1092 2.999,1093 3.4,1094 2.93,1095 4.622,1096 2.911,1097 2.907,1098 2.933,1099 3.234,1100 2.789,1101 4.49,1102 2.762,1103 2.877,1104 2.921,1105 2.845,1106 2.73,1107 4.202,1108 2.738,1109 0.167,1110 0.162,1111 0.252,1112 0.148,1113 0.117,1114 4.855,1115 0.162,1116 4.689,1117 0.034,1118 7.307,1119 0.431,1120 4.29,1121 0.105,1122 3.39,1123 4.705,1124 0.98,1125 12.497,1126 3.047,1127 2.001,1128 1.986,1129 2.077,1130 2.053,1131 1.216,1132 2.066,1133 1.782,1134 1.813,1135 1.848,1136 1.878,1137 0.968,1138 1.917,1139 1.734,1140 1.739,1141 1.665,1142 1.808,1143 0.937,1144 1.838,1145 1.461,1146 1.429,1147 1.626,1148 1.592,1149 0.654,1150 1.607,1151 1.401,1152 1.389,1153 1.25,1154 1.479,1155 0.61,1156 1.534,1157 0.98,1158 0.971,1159 1.152,1160 1.122,1161 0.246,1162 1.158,1163 0.949,1164 0.927,1165 1.096,1166 1.065,1167 0.182,1168 1.101,1169 0.867,1170 0.824,1171 1.036,1172 1.003,1173 0.152,1174 1.046,1175 4.078,1177 5.407,1178 2.398,1179 6.921,1180 4.443,1181 8.519,1182 6.326,1183 10.16,1186 12.045,1191 2.023,1199 29.883,1200 75.306,1201 128.573,1202 169.593,1203 200.122,1204 208.877,1205 210.877,1206 64.804,1207 6.998,1208 63.24,1209 99.86,1210 17,1211 12.405,1212 4.459,1213 3.755,1214 47.044,1215 108,1216 94,1217 0.21,1218 199.281,1219 345.89,1220 478.007,1221 10300,1222 5,1223 19.441,1224 0.72,1225 0.625,1226 21.045,1227 16.87,1228 12.865,1229 0.444,1230 0.373,1231 7.905,1232 10.911,1233 7.455,1234 6.164,1235 14.718,1236 10.814,1237 12.093,1238 0.295,1239 0.223,1240 14.753,1241 9.123,1242 9.577,1243 0.188,1244 0.139,1245 12.58,1246 7.084,1247 7.566,1248 0.122,1249 0.074,1250 9.821,1251 4.604,1252 5.375,1253 0.078,1254 0.041,1255 6.941,1256 2.825,1257 0.332,1258 98.252,1259 0.231,1260 26.069,1261 0.568,1262 140,1263 473.667,1264 244.024,1265 562.389,1266 728.52,1267 514,1268 162,1269 431.865,1270 263.773,1271 510.351,1272 741.25,1273 477,1274 4.77}
{0 CHEMBL88275,1 1.289,2 15.167,3 3.991,4 15.924,5 120.565,6 6.312,7 0.194,8 4.231,9 4.351,10 3.606,11 3.741,12 5.267,13 3.683,14 4.796,15 4.971,16 3.906,17 4.148,18 5.822,19 4.041,20 5.175,21 5.423,22 3.914,23 4.288,24 6.077,25 4.136,26 5.197,27 5.465,28 3.832,29 4.248,30 6.133,31 4.076,32 5.135,33 5.407,34 3.781,35 4.181,36 6.035,37 4.016,38 5.08,39 5.34,40 3.817,41 4.149,42 6.035,43 3.997,44 5.105,45 5.363,46 3.779,47 4.144,48 6.075,49 3.987,50 5.101,51 5.373,52 3.707,53 4.107,54 6.01,55 3.943,56 0.093,57 0.835,58 15.892,59 7.126,60 21.912,61 9.37,62 0.232,63 1.373,64 27.948,65 11.857,66 55.42,67 16.16,68 0.414,69 1.756,70 41.03,71 15.191,72 86.288,73 21.418,74 0.55,75 1.74,76 41.965,77 15.114,78 106.433,79 21.596,80 0.436,81 1.626,82 39.377,83 14.095,84 90.354,85 20.13,86 0.464,87 1.557,88 37.397,89 13.478,90 91.98,91 19.168,92 0.545,93 1.566,94 38.584,95 13.505,96 102.598,97 19.182,98 0.481,99 1.531,100 38.333,101 13.213,102 93.239,103 18.863,104 33,105 39,106 0.208,107 0.52,108 0.746,109 0.896,110 0.913,111 0.913,112 3.439,113 1.074,114 -4.25,115 -4.19,116 -3.96,118 37.9,120 9,121 2,125 3,129 4,133 5,134 1,145 1,150 1,153 1,154 19,155 1,158 1,160 1,162 7,164 22,165 1,167 1,170 7,171 20,172 1,175 1,178 1,179 7,180 17,181 1,184 1,189 6,192 15,193 1,196 1,199 1,200 7,202 14,203 1,206 1,209 1,210 8,211 13,212 1,215 1,219 8,222 13,223 1,226 1,230 6,231 1,233 12,234 2,236 1932,237 20.001,238 20.001,239 20.001,240 20.001,241 20.001,242 18.629,243 19.271,244 12.519,245 20.114,246 15.321,247 15.321,248 15.321,249 15.321,250 15.321,251 13.32,252 17.17,253 6.014,254 15.543,255 4.755,256 2.826,257 1.429,258 0.496,259 0.394,260 0.394,261 4.107,265 1,266 1,267 926,268 4.528,270 105.626,271 123.739,277 2.656,278 38.697,280 1,281 0.83,282 0.83,283 1,284 1,285 0.83,286 0.5,287 0.86,288 65,289 455,290 4.172,291 3.596,292 6.682,293 4.13,294 3.148,295 3.444,296 2.341,297 10.723,298 3.088,299 3.897,300 3.336,301 5.354,302 3.524,303 2.525,304 3.21,305 0.765,306 6.966,307 2.523,308 3.552,309 2.815,310 5.34,311 3.329,312 2.368,313 2.713,315 6.313,316 2.269,317 3.502,318 2.714,319 5.026,320 3.241,321 2.236,322 2.572,324 5.957,325 2.223,326 3.209,327 2.38,328 4.663,329 3.001,330 2.041,331 2.269,333 5.184,334 1.955,335 2.994,336 2.148,337 4.657,338 2.759,339 1.778,340 2.116,342 4.754,343 1.737,344 2.941,345 1.911,346 3.8,347 2.618,348 1.625,349 1.983,351 3.452,352 1.611,353 2.719,354 1.676,355 3.718,356 2.557,357 1.572,358 1.701,360 3.324,361 1.542,362 2.5,363 1.535,364 3.522,365 2.298,366 1.304,367 1.5,369 2.787,370 1.294,371 2.464,372 1.354,373 3.375,374 2.092,375 1.106,376 1.446,378 2.392,379 1.084,380 2.279,381 1.091,382 3.247,383 2,384 1,385 1.216,387 2.136,388 1,389 2.112,390 1,391 3.105,392 1.736,393 0.751,394 0.924,395 1.687,396 0.736,397 1.494,398 0.772,399 2.773,400 1.391,401 0.401,402 0.425,403 0.892,404 0.395,405 1.367,406 0.499,407 2.555,408 1.189,409 0.204,410 0.225,411 0.441,412 0.2,413 1.004,414 0.403,415 2.346,416 0.751,417 -0.226,418 -0.254,419 -0.522,420 -0.217,421 14.167,422 0.472,423 0.617,424 0.021,425 26.25,426 0.875,427 9.5,428 0.317,429 16.75,430 0.558,431 34.249,432 1.142,433 35.633,434 0.54,435 18.944,436 0.631,437 4.737,438 0.158,439 9.732,440 0.324,441 0.118,443 0.247,447 0.918,448 1.156,449 1.026,450 1.151,451 0.913,452 1.112,453 0.632,454 1.349,455 1.086,456 1.352,457 0.621,458 1.3,459 0.952,460 1.075,461 1.047,462 1.078,463 0.952,464 1.078,465 0.866,466 1,467 0.998,468 1.008,469 0.845,470 1.022,471 0.942,472 0.955,473 0.963,474 0.957,475 0.912,476 0.963,477 0.851,478 1.027,479 0.946,480 1.026,481 0.818,482 1.004,483 1.027,484 1.008,485 1.034,486 1.011,487 0.963,488 1.022,489 1.11,490 0.933,491 1.01,492 0.934,493 1.064,494 0.953,495 5,496 0.209,497 2.667,498 1.951,499 0.881,500 0.67,501 0.594,502 0.344,503 0.215,504 0.226,505 13260,506 33616,507 1.959,508 54.5,509 12,510 12,513 4,514 2,515 4,516 2,517 1.724,518 1.837,519 3.833,520 1.531,522 1,525 85.107,526 1.289,527 3.218,528 4.615,529 5.548,530 5.65,531 5.65,532 3.331,533 4.64,534 4.87,535 4.071,536 1770.9,537 8.478,538 27646.3,542 398.93,543 1.363,544 4.837,545 0.161,546 0.007,547 0.068,548 0.053,549 0.027,550 0.021,551 0.018,552 0.011,553 0.007,554 0.008,555 0.382,557 0.88,558 1.739,559 160.696,560 -0.101,561 0.121,562 -0.022,563 0.113,564 -0.109,565 0.065,566 0.066,567 -0.172,568 -0.12,569 -0.178,570 0.074,571 -0.179,572 -0.07,573 -0.062,574 -0.076,575 -0.064,576 -0.081,577 -0.07,578 0.007,579 -0.026,580 -0.034,581 -0.029,582 0.001,583 -0.037,584 -0.054,585 0.011,586 0.002,587 0.014,588 -0.049,589 0.017,590 0.044,591 -0.042,592 0.024,593 -0.037,594 0.038,595 -0.013,596 -0.012,597 -0.035,598 -0.046,599 -0.038,600 0.001,601 -0.046,602 -0.09,603 0.016,604 -0.025,605 0.016,606 -0.081,607 0.007,608 2.457,609 4.302,610 0.367,611 42.747,612 0.993,613 1.129,614 3.024,615 9.144,616 0.621,617 3.466,618 3.689,619 3.829,620 3.989,621 4.043,622 3.951,623 3.97,624 3.97,625 3.97,626 3.989,627 8.82,628 0.577,629 416.61,630 3.466,631 4.949,632 5.733,633 6.555,634 7.363,635 8.196,636 9.018,637 9.859,638 10.693,639 11.54,651 5,656 1,658 6,670 66,671 9,672 1,673 31,675 67,676 25,677 6,678 1,679 5,681 2,682 2,688 3,689 2,691 12,693 11,694 14,695 2,696 3,698 1,699 4,701 1,707 36,708 5,709 4,710 5,717 1,718 5,719 3,730 1,731 1,739 1,741 4,746 4,748 2,756 30,759 4,760 9,764 5,773 7.6,774 3,775 1,776 1,779 16.333,780 10.633,781 6.917,782 4.181,785 1.764,786 1.257,787 0.837,788 11.028,789 8.629,790 3.638,791 3.998,792 4.287,793 4.621,794 4.92,795 4.775,796 4.849,797 4.928,798 5.016,799 5.153,800 1,801 37,802 11.244,803 4.724,804 7.917,805 21.603,806 17.821,807 2.417,808 72.5,812 376.675,813 112.192,816 195.878,819 112.192,820 572.554,823 22.811,824 213.336,825 68.738,826 3.186,828 376.675,830 376.675,831 112.192,832 195.878,835 306.049,836 138.455,837 128.05,839 22.811,840 51.477,841 37.905,843 376.675,844 195.878,845 112.192,848 376.675,849 26.906,850 85.286,852 195.878,853 376.675,854 195.878,855 112.192,857 0.557,858 0.299,859 0.153,860 0.078,861 13,862 7,863 0.194,864 13,866 1,867 4.353,868 224.972,870 11,871 143.207,874 24.49,875 13.509,876 9.282,878 195.878,879 10.314,884 1.31,886 170.733,887 684.746,888 37,890 10.525,891 7.543,893 -0.79,895 65.541,896 74.521,897 0.213,898 0.532,899 0.764,900 0.918,901 0.935,902 0.935,903 4.84,904 1.572,905 5.666,906 3.452,907 4.369,908 4.682,909 2.373,910 6.361,911 4.338,912 5.946,913 1.304,914 7.154,915 3.324,916 3.761,917 4.034,918 2.243,919 7.096,920 3.668,921 7.167,922 1.106,923 8.748,924 2.787,925 5.838,926 6.476,927 3.646,928 10.183,929 5.777,930 8.414,931 1,932 10.412,933 2.392,934 6.089,935 6.583,936 4.112,937 11.898,938 5.97,939 9.693,940 0.751,941 12.126,942 2.136,943 7.609,944 8.54,945 5.204,946 14.503,947 7.514,948 10.995,949 0.401,950 13.877,951 1.687,952 8.306,953 9.026,954 5.889,955 16.628,956 8.162,957 12.316,958 0.204,959 15.658,960 0.892,961 9.589,962 10.753,963 6.849,964 19.079,965 9.454,966 3.148,967 -0.226,968 17.462,969 0.441,970 10.516,971 11.456,972 7.625,973 21.361,974 10.344,975 2.525,976 10.723,977 19.285,978 -0.522,979 11.702,980 13.05,981 8.526,982 23.761,983 11.526,984 2.368,985 6.966,986 21.124,987 3.444,988 12.744,989 13.891,990 9.342,991 26.1,992 12.538,993 2.236,994 6.313,995 22.975,996 3.21,997 13.895,998 15.397,999 10.216,1000 28.482,1001 13.678,1002 2.041,1003 5.957,1004 24.836,1005 2.713,1006 14.991,1007 16.333,1008 11.051,1009 30.843,1010 14.748,1011 1.778,1012 5.184,1013 26.705,1014 2.572,1015 16.132,1016 17.775,1017 11.912,1018 33.218,1019 15.873,1020 1.625,1021 4.754,1022 28.58,1023 2.269,1024 17.253,1025 18.779,1026 12.755,1027 35.586,1028 16.971,1029 13320,1030 21282,1031 20.167,1032 40.978,1033 44.983,1034 44.859,1035 45.182,1036 44.274,1037 44.113,1038 51.485,1039 6.211,1040 114.013,1041 43.314,1042 5.09,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.444,1048 3.925,1049 17.488,1050 5.088,1051 16.746,1052 1.451,1053 1.447,1054 1.457,1055 1.428,1056 1.423,1057 1.661,1058 0.2,1059 3.678,1060 1.397,1061 3.985,1062 4.022,1063 3.887,1064 3.896,1065 7.474,1066 3.888,1067 3.914,1068 3.949,1069 3.83,1070 3.845,1071 6.465,1072 3.837,1073 3.744,1074 3.791,1075 3.621,1076 3.624,1077 6.449,1078 3.614,1079 3.698,1080 3.746,1081 3.566,1082 3.567,1083 6.434,1084 3.558,1085 3.494,1086 3.533,1087 3.384,1088 3.34,1089 6.351,1090 3.337,1091 3.43,1092 3.483,1093 3.281,1094 3.284,1095 4.752,1096 3.278,1097 3.158,1098 3.205,1099 2.996,1100 2.982,1101 4.427,1102 2.965,1103 3.131,1104 3.199,1105 2.959,1106 2.921,1107 4.285,1108 2.93,1109 0.135,1110 0.116,1111 0.216,1112 0.133,1113 0.102,1114 4.172,1115 0.111,1116 3.596,1117 0.076,1118 6.682,1119 0.346,1120 4.13,1121 0.1,1122 3.148,1123 3.444,1124 2.341,1125 10.723,1126 3.088,1127 1.93,1128 1.898,1129 2.08,1130 2.02,1131 1.376,1132 2.042,1133 1.834,1134 1.795,1135 2.017,1136 1.958,1137 1.337,1138 1.979,1139 1.747,1140 1.702,1141 1.953,1142 1.898,1143 1.231,1144 1.917,1145 1.639,1146 1.589,1147 1.867,1148 1.81,1149 1.156,1150 1.828,1151 1.58,1152 1.533,1153 1.806,1154 1.772,1155 1.104,1156 1.784,1157 1.422,1158 1.375,1159 1.665,1160 1.62,1161 0.872,1162 1.633,1163 1.314,1164 1.268,1165 1.561,1166 1.532,1167 0.774,1168 1.537,1169 1.08,1170 1.016,1171 1.385,1172 1.315,1173 0.576,1174 1.335,1175 4.143,1177 5.389,1178 2.398,1179 6.799,1180 4.844,1181 8.291,1182 6.986,1183 9.833,1189 39.509,1190 6.07,1194 -1.98,1199 38.056,1200 85.107,1201 212.385,1202 304.591,1203 366.175,1204 372.93,1205 372.93,1206 113.928,1207 6.866,1208 97.99,1209 97.99,1210 11,1211 12.104,1212 3.322,1213 2.807,1214 69.602,1215 153,1216 159,1217 0.208,1218 238.209,1219 433.55,1220 572.99,1221 9712,1223 21.769,1224 0.726,1225 0.588,1226 21.769,1227 17.644,1228 14.469,1229 0.467,1230 0.358,1231 11.021,1232 14.114,1233 10.824,1234 8.962,1235 14.469,1236 11.103,1237 12.374,1238 0.317,1239 0.213,1240 12.374,1241 8.288,1242 9.101,1243 0.202,1244 0.13,1245 9.101,1246 5.866,1247 7.086,1248 0.134,1249 0.078,1250 7.086,1251 4.129,1252 5.085,1253 0.091,1254 0.047,1255 5.085,1256 2.622,1257 0.344,1258 89.702,1259 0.223,1260 29.628,1261 0.528,1262 140,1263 374.334,1264 150.739,1265 357.129,1266 456.67,1267 330,1268 154,1269 297.485,1270 162.306,1271 300.384,1272 428.52,1273 284,1274 7.495}
{0 CHEMBL88974,1 1.535,2 15.774,3 4.3755,4 19.1435,5 115.747,6 6.929,7 0.188,8 4.188,9 4.306,10 3.645,11 3.68,12 5.357,13 3.647,14 4.724,15 4.888,16 3.946,17 4.086,18 5.852,19 4.006,20 5.103,21 5.335,22 3.975,23 4.237,24 6.095,25 4.118,26 5.145,27 5.401,28 3.903,29 4.207,30 6.186,31 4.068,32 5.082,33 5.346,34 3.853,35 4.132,36 6.097,37 4,38 5.009,39 5.254,40 3.866,41 4.084,42 6.083,43 3.969,44 5.04,45 5.287,46 3.778,47 4.075,48 6.076,49 3.942,50 5.029,51 5.3,52 3.724,53 4.039,54 5.998,55 3.897,56 0.148,57 0.843,58 13.957,59 6.298,60 36.32,61 8.039,62 0.252,63 1.324,64 24.562,65 10.5,66 71.305,67 14.125,68 0.493,69 1.656,70 38.465,71 13.542,72 111.804,73 19.203,74 0.656,75 1.659,76 40.904,77 13.612,78 130.808,79 19.832,80 0.527,81 1.536,82 38.477,83 12.718,84 114.358,85 18.573,86 0.547,87 1.443,88 35.523,89 11.914,90 119.589,91 17.105,92 0.681,93 1.448,94 37.165,95 12.005,96 134.38,97 17.233,98 0.632,99 1.419,100 37.027,101 11.703,102 125.53,103 17.203,104 50,105 41,106 0.25,107 0.579,108 0.784,109 0.9,110 0.911,111 0.911,112 3.471,113 1,114 -3.29,115 -3.28,116 -3.14,118 37.1,120 7,121 2,125 3,129 4,133 4,134 1,135 1,145 1,150 1,151 1,153 1,154 15,155 1,156 1,158 3,159 1,160 1,162 7,164 18,165 1,167 3,170 7,171 17,172 1,173 2,175 2,178 1,179 7,180 13,181 3,182 2,184 2,189 7,192 11,193 3,194 1,196 2,199 1,200 8,202 13,203 2,204 1,206 1,209 1,210 6,211 12,212 2,213 1,215 2,217 1,219 6,222 11,223 2,226 2,230 6,231 1,232 1,233 10,234 2,235 1,236 2037,237 20.612,238 20.612,239 20.612,240 20.612,241 20.612,242 18.792,243 24.014,244 12.722,245 20.763,246 15.753,247 15.753,248 15.753,249 15.753,250 15.753,251 13.261,252 20.647,253 6.007,254 16.04,255 4.419,256 2.391,257 1.133,258 0.419,259 0.355,260 0.355,261 4.138,265 1,266 1,267 990,268 4.583,270 109.456,271 123.14,277 2.541,278 44.06,280 1,281 0.83,282 0.83,283 1,284 1,285 0.67,286 0.5,287 0.83,288 68.5,289 489,290 4.172,291 3.596,292 6.682,293 4.13,294 3.148,295 3.684,296 2.341,297 10.723,298 3.088,299 4.066,300 3.336,301 5.497,302 3.656,303 2.667,304 3.21,305 0.765,306 7.402,307 2.637,308 3.615,309 2.881,310 5.354,311 3.346,312 2.382,313 2.938,315 6.49,316 2.291,317 3.552,318 2.734,319 5.164,320 3.241,321 2.236,322 2.712,324 6.241,325 2.223,326 3.456,327 2.411,328 4.965,329 3.128,330 2.152,331 2.553,333 5.837,334 2.095,335 3.206,336 2.369,337 4.662,338 2.988,339 2.029,340 2.267,342 5.184,343 1.941,344 2.996,345 2.147,346 4.657,347 2.752,348 1.772,349 2.039,351 4.749,352 1.728,353 2.955,354 1.907,355 3.797,356 2.568,357 1.586,358 1.965,360 3.446,361 1.549,362 2.691,363 1.532,364 3.494,365 2.146,366 1.154,367 1.673,369 2.488,370 1.142,371 2.5,372 1.19,373 3.414,374 2.098,375 1.108,376 1.5,378 2.275,379 1.091,380 2.339,381 1.097,382 3.279,383 2,384 1,385 1.258,387 2.085,388 1,389 2.176,390 1,391 3.135,392 1.826,393 0.831,394 1.018,395 1.773,396 0.825,397 1.725,398 0.846,399 2.906,400 1.521,401 0.547,402 0.608,403 1.194,404 0.529,405 1.434,406 0.689,407 2.609,408 1.227,409 0.238,410 0.266,411 0.515,412 0.233,413 1.314,414 0.414,415 2.36,416 0.838,417 -0.139,418 -0.17,419 -0.265,420 -0.135,421 14.367,422 0.463,423 0.685,424 0.022,425 29.5,426 0.952,427 12,428 0.387,429 17.5,430 0.565,431 33.111,432 1.068,433 36.033,434 0.581,435 23.355,436 0.753,437 5.737,438 0.185,439 9.164,440 0.296,441 0.144,443 0.278,447 0.843,448 1.04,449 0.918,450 1.111,451 0.821,452 1.052,453 0.608,454 1.283,455 0.99,456 1.357,457 0.566,458 1.274,459 0.94,460 1.083,461 1.027,462 1.12,463 0.879,464 1.104,465 0.866,466 1.002,467 0.994,468 1.039,469 0.795,470 1.047,471 0.881,472 0.935,473 0.908,474 0.967,475 0.856,476 0.951,477 0.896,478 1.004,479 0.947,480 1.057,481 0.853,482 1.023,483 1.075,484 0.964,485 1.079,486 1.026,487 0.958,488 1.058,489 0.976,490 0.855,491 0.967,492 0.901,493 0.952,494 0.933,495 6,496 0.204,497 3.111,498 1.889,499 1.192,500 0.927,501 0.573,502 0.34,503 0.311,504 0.305,505 14027,506 44719,507 1.942,508 50,509 8,510 11,513 4,514 2,515 4,516 2,517 1.733,518 1.806,519 3.877,520 1.6,525 95.174,526 1.535,527 3.564,528 4.821,529 5.535,530 5.599,531 5.599,532 3.386,533 4.632,534 4.917,535 4.093,536 1903.28,537 8.573,538 30126.2,542 369.16,543 1.438,544 4.874,545 0.188,546 0.006,547 0.076,548 0.047,549 0.033,550 0.026,551 0.016,552 0.011,553 0.01,554 0.009,555 0.423,556 0.17,557 0.88,558 1.928,559 167.345,560 -0.046,561 0.245,562 -0.018,563 0.128,564 -0.064,565 0.062,566 0.077,567 -0.115,568 -0.097,569 -0.169,570 0.091,571 -0.171,572 -0.083,573 -0.093,574 -0.076,575 -0.073,576 -0.078,577 -0.076,578 -0.013,579 -0.056,580 -0.034,581 -0.035,582 -0.002,583 -0.039,584 -0.043,585 -0.006,586 0.054,587 0.027,588 -0.025,589 0.056,590 0.012,591 -0.05,592 0.02,593 -0.044,594 0.017,595 -0.014,596 -0.068,597 -0.034,598 -0.096,599 -0.035,600 -0.053,601 -0.067,602 -0.059,603 0.054,604 0.011,605 0.066,606 -0.076,607 0.053,608 2.475,609 4.307,610 0.355,611 43.58,612 1.005,613 1.135,614 2.06,615 4.245,616 0.628,617 3.497,618 3.738,619 3.892,620 4.06,621 4.159,622 4.111,623 4.111,624 4.127,625 4.143,626 4.159,627 8.901,628 0.597,629 429.57,630 3.497,631 4.99,632 5.784,633 6.616,634 7.434,635 8.275,636 9.107,637 9.954,638 10.795,639 11.647,640 4.8,648 1,649 1,651 4,656 2,658 6,670 62,671 11,672 1,673 32,675 63,676 23,677 6,678 2,679 4,681 2,682 2,688 3,689 2,691 10,693 11,694 12,695 2,696 5,698 1,699 4,700 1,701 1,707 31,708 7,709 4,710 8,714 3,715 1,717 1,718 5,719 3,730 1,731 1,739 1,741 4,746 4,748 2,756 31,759 4,760 7,764 5,773 8.1,774 3,775 1,776 1,779 17.167,780 10.167,781 7.167,782 3.767,785 2.242,786 1.319,787 0.829,788 10.456,789 9.264,790 3.714,791 4.119,792 4.446,793 4.847,794 5.222,795 5.322,796 5.533,797 5.597,798 5.555,799 5.766,800 0.909,801 40,802 11.528,803 4.861,804 8.118,805 21.6,806 17.6,807 2.618,808 81.167,812 317.82,813 100.404,814 63.528,816 195.878,819 100.404,820 513.698,821 63.528,822 8.396,823 22.047,824 122.9765,825 79.738,826 22.775,828 306.049,830 317.82,831 163.932,832 195.878,835 264.8495,836 128.287,837 42.683,839 29.617,840 83.2955,841 37.905,843 317.82,844 259.406,845 100.404,848 317.82,849 24.594,850 75.81,852 259.406,853 317.82,854 259.406,855 100.404,857 0.559,858 0.304,859 0.156,860 0.083,861 14,862 8,863 0.19,864 12,866 1,867 4.37,868 239.059,870 11,871 149.58,874 24.812,875 13.064,876 8.665,878 244.091,879 7.174,884 1.564,886 170.733,887 677.63,888 40,890 10.526,891 7.345,892 3.527,893 -0.809,895 62.312,896 70.355,897 0.258,898 0.598,899 0.81,900 0.93,901 0.94,902 0.94,903 4.924,904 1.586,905 5.733,906 4.749,907 4.419,908 4.804,909 2.373,910 6.45,911 4.381,912 6.057,913 1.154,914 7.238,915 3.446,916 3.892,917 4.248,918 2.243,919 7.222,920 3.797,921 7.297,922 1.108,923 8.845,924 2.488,925 5.916,926 6.691,927 3.646,928 10.281,929 5.844,930 8.564,931 1,932 10.515,933 2.275,934 6.217,935 6.895,936 4.112,937 11.977,938 6.093,939 9.86,940 0.831,941 12.229,942 2.085,943 7.702,944 8.839,945 5.204,946 14.567,947 7.594,948 11.176,949 0.547,950 13.976,951 1.773,952 8.417,953 9.441,954 5.889,955 16.671,956 8.268,957 12.508,958 0.238,959 15.749,960 1.194,961 9.68,962 11.139,963 6.849,964 19.113,965 9.534,966 3.148,967 -0.139,968 17.545,969 0.515,970 10.609,971 11.982,972 7.625,973 21.383,974 10.431,975 2.667,976 10.723,977 19.359,978 -0.265,979 11.782,980 13.535,981 8.526,982 23.777,983 11.599,984 2.382,985 7.402,986 21.188,987 3.684,988 12.819,989 14.534,990 9.342,991 26.111,992 12.609,993 2.236,994 6.49,995 23.03,996 3.21,997 13.962,998 15.997,999 10.216,1000 28.49,1001 13.739,1002 2.152,1003 6.241,1004 24.883,1005 2.938,1006 15.051,1007 17.097,1008 11.051,1009 30.848,1010 14.805,1011 2.029,1012 5.837,1013 26.745,1014 2.712,1015 16.185,1016 18.504,1017 11.912,1018 33.222,1019 15.924,1020 1.772,1021 5.184,1022 28.614,1023 2.553,1024 17.301,1025 19.671,1026 12.755,1027 35.589,1028 17.018,1029 14223,1030 25499,1031 20.572,1032 38.949,1033 46.895,1034 46.626,1035 47.479,1036 45.864,1037 45.698,1038 55.382,1039 6.211,1040 120.806,1041 44.744,1042 5.085,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.684,1048 3.925,1049 17.488,1050 5.088,1051 18.954,1052 1.465,1053 1.457,1054 1.484,1055 1.433,1056 1.428,1057 1.731,1058 0.194,1059 3.775,1060 1.398,1061 3.992,1062 4.028,1063 3.908,1064 3.904,1065 7.474,1066 3.899,1067 3.921,1068 3.957,1069 3.845,1070 3.839,1071 6.727,1072 3.835,1073 3.742,1074 3.788,1075 3.619,1076 3.619,1077 6.465,1078 3.609,1079 3.639,1080 3.687,1081 3.529,1082 3.496,1083 6.449,1084 3.493,1085 3.487,1086 3.524,1087 3.383,1088 3.316,1089 6.434,1090 3.321,1091 3.366,1092 3.453,1093 3.321,1094 3.149,1095 6.351,1096 3.156,1097 3.175,1098 3.253,1099 3.04,1100 2.921,1101 4.779,1102 2.93,1103 3.157,1104 3.205,1105 2.991,1106 2.868,1107 4.426,1108 2.919,1109 0.13,1110 0.112,1111 0.209,1112 0.129,1113 0.098,1114 4.172,1115 0.115,1116 3.596,1117 0.073,1118 6.682,1119 0.335,1120 4.13,1121 0.096,1122 3.148,1123 3.684,1124 2.341,1125 10.723,1126 3.088,1127 1.931,1128 1.901,1129 2.059,1130 2.03,1131 1.358,1132 2.039,1133 1.827,1134 1.788,1135 2.012,1136 1.953,1137 1.281,1138 1.973,1139 1.723,1140 1.681,1141 1.915,1142 1.877,1143 1.225,1144 1.889,1145 1.604,1146 1.559,1147 1.826,1148 1.796,1149 1.146,1150 1.804,1151 1.524,1152 1.476,1153 1.752,1154 1.73,1155 0.982,1156 1.734,1157 1.375,1158 1.332,1159 1.605,1160 1.59,1161 0.791,1162 1.585,1163 1.196,1164 1.138,1165 1.431,1166 1.51,1167 0.607,1168 1.452,1169 1.02,1170 0.946,1171 1.271,1172 1.336,1173 0.473,1174 1.328,1175 4.174,1177 5.434,1178 2.398,1179 6.86,1180 4.844,1181 8.368,1182 6.986,1183 9.928,1189 39.548,1190 3.438,1194 -2.315,1199 37.013,1200 95.174,1201 220.94,1202 298.896,1203 343.16,1204 347.16,1205 347.16,1206 122.453,1207 7.022,1208 146.75,1209 146.75,1210 11,1211 12.207,1212 3.585,1213 3.17,1214 73.418,1215 161,1216 180,1217 0.212,1218 233.552,1219 426.67,1220 561.628,1221 11525,1223 22.64,1224 0.73,1225 0.565,1226 22.64,1227 17.508,1228 14.901,1229 0.466,1230 0.333,1231 10.547,1232 14.342,1233 10.378,1234 8.569,1235 14.901,1236 10.665,1237 12.839,1238 0.313,1239 0.194,1240 12.839,1241 7.965,1242 9.548,1243 0.199,1244 0.118,1245 9.548,1246 5.648,1247 7.422,1248 0.13,1249 0.069,1250 7.422,1251 3.906,1252 5.499,1253 0.087,1254 0.04,1255 5.499,1256 2.501,1257 0.349,1258 93.704,1259 0.22,1260 30.297,1261 0.54,1262 146,1263 461.561,1264 160.264,1265 442.068,1266 560.27,1267 406,1268 162,1269 367.309,1270 173.608,1271 368.973,1272 521.38,1273 346,1274 6.481}
{0 CHEMBL89096,1 1.613,2 15.219,3 4.3755,4 19.1435,5 115.747,6 7.337,7 0.182,8 4.195,9 4.298,10 3.692,11 3.639,12 5.43,13 3.635,14 4.712,15 4.858,16 4.008,17 4.031,18 5.928,19 3.988,20 5.082,21 5.291,22 4.045,23 4.171,24 6.185,25 4.094,26 5.107,27 5.344,28 4.015,29 4.143,30 6.259,31 4.046,32 5.051,33 5.29,34 3.947,35 4.09,36 6.167,37 4,38 5.019,39 5.244,40 3.969,41 4.06,42 6.227,43 3.981,44 5.058,45 5.292,46 3.902,47 4.026,48 6.261,49 3.933,50 4.999,51 5.249,52 3.77,53 3.959,54 6.088,55 3.859,56 0.244,57 0.818,58 13.23,59 6.017,60 47.531,61 7.309,62 0.427,63 1.258,64 23.341,65 9.8,66 83.364,67 12.716,68 0.919,69 1.54,70 37.906,71 12.364,72 145.415,73 17.171,74 1.047,75 1.535,76 39.863,77 12.454,78 151.615,79 18.088,80 0.899,81 1.453,82 37.76,83 11.632,84 140.422,85 16.796,86 0.902,87 1.403,88 36.132,89 11.3,90 163.629,91 16.114,92 1.182,93 1.382,94 38.725,95 11.238,96 188.95,97 16.252,98 1.097,99 1.289,100 37.285,101 10.434,102 161.744,103 15.175,104 63,105 43,106 0.263,107 0.617,108 0.826,109 0.919,110 0.936,111 0.936,112 3.501,113 0.949,114 -2.14,115 -2.19,116 -2.16,118 36.1,120 5,121 2,124 1,125 3,129 4,133 3,135 3,145 1,150 1,151 1,153 1,154 9,155 1,156 1,158 5,159 1,160 1,162 8,164 13,165 1,167 2,168 1,170 6,171 9,172 1,173 2,174 1,175 4,177 2,178 1,179 7,180 8,181 3,184 2,186 1,189 7,191 1,192 8,193 1,194 1,196 2,197 1,199 1,200 5,201 1,202 7,203 2,206 4,208 2,209 2,210 6,211 7,212 1,215 3,217 1,219 5,221 1,222 6,223 1,224 1,226 3,230 6,231 2,233 6,234 3,235 1,236 2102,237 21.06,238 21.06,239 21.06,240 21.06,241 21.06,242 19.214,243 26.686,244 12.94,245 21.372,246 16.27,247 16.27,248 16.27,249 16.27,250 16.27,251 13.684,252 28.915,253 6.134,254 16.832,255 4.318,256 2.148,257 0.869,258 0.295,259 0.197,260 0.197,261 4.167,265 1,266 1,267 984,268 4.637,270 111.226,271 127.006,277 2.545,278 54.767,280 1,281 0.67,282 0.83,283 1,284 1,285 0.67,287 0.74,288 72.5,289 487,290 4.2,291 3.596,292 6.682,293 4.13,294 3.148,295 3.859,296 2.341,297 10.723,298 3.088,299 4.172,300 3.337,301 5.738,302 3.764,303 2.804,304 3.21,305 0.86,306 8.17,307 2.687,308 3.558,309 3.068,310 5.354,311 3.32,312 2.378,313 2.857,314 0.765,315 6.368,316 2.233,317 3.552,318 2.826,319 5.097,320 3.241,321 2.236,322 2.713,324 6.134,325 2.222,326 3.466,327 2.431,328 4.931,329 3.033,330 2.082,331 2.613,333 5.767,334 1.973,335 3.284,336 2.363,337 4.728,338 2.983,339 2.027,340 2.49,342 5.242,343 1.932,344 3.202,345 2.254,346 4.661,347 2.868,348 1.933,349 2.264,351 5.184,352 1.795,353 2.972,354 2.146,355 4.656,356 2.749,357 1.771,358 1.974,360 4.747,361 1.722,362 2.892,363 1.908,364 3.796,365 2.565,366 1.584,367 1.908,369 3.446,370 1.546,371 2.689,372 1.537,373 3.489,374 2.11,375 1.128,376 1.672,378 2.474,379 1.1,380 2.336,381 1.232,382 3.23,383 2.046,384 1.05,385 1.256,387 1.899,388 1.045,389 2.171,390 1.082,391 3.162,392 1.788,393 0.822,394 1.006,395 1.77,396 0.787,397 1.631,398 1.022,399 2.97,400 1.429,401 0.509,402 0.552,403 1.172,404 0.461,405 1.403,406 0.737,407 2.639,408 1.185,409 0.221,410 0.246,411 0.486,412 0.212,413 1.349,414 0.414,415 2.4,416 0.74,417 -0.23,418 -0.26,419 -0.504,420 -0.22,421 14.533,422 0.454,423 0.791,424 0.025,425 31.75,426 0.992,427 13,428 0.406,429 18.75,430 0.586,431 32.946,432 1.03,433 37.667,434 0.617,435 27.213,436 0.85,437 6.388,438 0.2,439 8.907,440 0.278,441 0.165,443 0.31,447 0.912,448 1.069,449 0.875,450 1.131,451 0.879,452 1.024,453 0.741,454 1.31,455 0.945,456 1.374,457 0.597,458 1.247,459 1.011,460 1.089,461 1.043,462 1.119,463 0.926,464 1.103,465 0.766,466 1.004,467 0.901,468 1.032,469 0.714,470 1.014,471 0.908,472 0.953,473 0.939,474 0.984,475 0.886,476 0.977,477 0.89,478 1.033,479 0.953,480 1.088,481 0.825,482 1.05,483 0.956,484 0.947,485 1.017,486 1.005,487 0.901,488 1.029,489 1.095,490 0.769,491 1.018,492 0.802,493 0.997,494 0.882,495 7,496 0.28,497 2.889,498 2.576,499 1.463,500 0.927,501 0.697,502 0.372,503 0.286,504 0.274,505 14782,506 51944,507 1.926,508 47.5,509 6,510 12,513 5,514 2,515 2,516 2,517 1.742,518 1.778,519 3.822,520 2.407,525 98.38,526 1.613,527 3.783,528 5.062,529 5.636,530 5.734,531 5.734,532 3.335,533 4.75,534 4.966,535 4.062,536 2014.71,537 8.675,538 32297.6,542 361.775,543 1.494,544 4.911,545 0.212,546 0.008,547 0.067,548 0.061,549 0.037,550 0.024,551 0.018,552 0.011,553 0.009,554 0.008,555 0.456,556 0.17,557 0.75,558 1.917,559 173.645,560 -0.092,561 0.227,562 -0.025,563 0.118,564 -0.1,565 0.064,566 0.021,567 -0.129,568 -0.078,569 -0.177,570 0.08,571 -0.16,572 -0.085,573 -0.098,574 -0.087,575 -0.075,576 -0.094,577 -0.082,578 0.083,579 -0.053,580 0.062,581 -0.023,582 0.057,583 0.005,584 -0.04,585 0.001,586 0.028,587 0.017,588 -0.045,589 0.035,590 0.016,591 -0.065,592 0.014,593 -0.076,594 0.048,595 -0.039,596 0.041,597 -0.028,598 -0.021,599 -0.034,600 0.023,601 -0.042,602 -0.092,603 0.122,604 -0.009,605 0.145,606 -0.099,607 0.097,608 2.499,609 4.283,610 0.344,611 42.754,612 1.018,613 1.137,614 0.912,615 0.831,616 0.625,617 3.526,618 3.784,619 3.932,620 4.143,621 4.22,622 4.205,623 4.174,624 4.159,625 4.19,626 4.205,627 8.795,628 0.605,629 447.54,630 3.526,631 5.03,632 5.826,633 6.671,634 7.491,635 8.344,636 9.177,637 10.035,638 10.876,639 11.739,640 4.9,648 1,649 1,651 3,656 3,658 6,667 1,668 1,670 61,671 11,672 1,673 33,675 62,676 22,677 6,678 3,679 3,681 2,682 2,688 3,689 2,691 8,693 11,694 11,695 2,696 5,698 1,699 4,700 1,701 1,707 29,708 9,709 5,710 10,714 3,715 1,717 1,718 7,719 3,730 1,731 1,739 1,741 4,746 4,748 2,756 32,759 5,760 6,762 1,764 5,773 11.5,774 3,775 2,776 1,778 1,779 18,780 9.95,781 7.333,782 3.511,785 2.278,786 1.321,787 0.811,788 10.544,789 9.378,790 3.738,791 4.167,792 4.497,793 4.948,794 5.309,795 5.488,796 5.555,797 5.715,798 5.627,799 5.8,800 1,801 42,802 11.902,803 5.082,804 8.276,805 21.794,806 17.563,807 2.776,808 88.833,812 282.506,813 92.509,814 63.528,816 249.562,819 92.509,820 532.068,821 63.528,822 8.396,823 22.047,824 122.9765,825 79.738,826 22.775,828 306.049,830 282.506,831 156.037,832 249.562,835 264.8495,836 128.287,837 42.683,839 29.617,840 83.2955,841 37.905,843 282.506,844 313.089,845 92.509,848 282.506,849 26.175,850 66.334,852 313.089,853 282.506,854 313.089,855 92.509,857 0.563,858 0.303,859 0.163,860 0.086,861 15,862 9,863 0.194,864 12,866 1,867 4.38,868 253.421,870 11,871 160,874 25.726,875 13.115,876 8.863,878 297.774,879 4.019,884 0.258,886 213.417,887 688.105,888 41,890 10.524,891 6.93,892 3.397,893 -0.833,895 62.083,896 69.358,897 0.272,898 0.638,899 0.853,900 0.95,901 0.967,902 0.967,903 4.959,904 1.771,905 5.79,906 5.184,907 4.466,908 4.852,909 2.502,910 6.524,911 4.397,912 6.108,913 1.584,914 7.303,915 4.747,916 4.007,917 4.425,918 2.243,919 7.298,920 3.875,921 7.36,922 1.128,923 8.916,924 3.446,925 5.979,926 6.777,927 3.674,928 10.371,929 5.852,930 8.638,931 1.05,932 10.589,933 2.474,934 6.312,935 7.096,936 4.112,937 12.04,938 6.131,939 9.944,940 0.822,941 12.303,942 1.899,943 7.774,944 8.974,945 5.208,946 14.645,947 7.597,948 11.269,949 0.509,950 14.049,951 1.77,952 8.509,953 9.701,954 5.889,955 16.726,956 8.292,957 12.612,958 0.221,959 15.82,960 1.172,961 9.761,962 11.349,963 6.849,964 19.171,965 9.542,966 3.148,967 -0.23,968 17.612,969 0.486,970 10.701,971 12.324,972 7.625,973 21.426,974 10.454,975 2.804,976 10.723,977 19.422,978 -0.504,979 11.87,980 13.844,981 8.526,982 23.817,983 11.614,984 2.378,985 8.17,986 21.247,987 3.859,988 12.91,989 14.97,990 9.342,991 26.141,992 12.632,993 2.236,994 6.368,995 23.085,996 3.21,997 14.049,998 16.417,999 10.216,1000 28.516,1001 13.759,1002 2.082,1003 6.134,1004 24.934,1005 2.857,1006 15.138,1007 17.634,1008 11.051,1009 30.868,1010 14.829,1011 2.027,1012 5.767,1013 26.791,1014 2.713,1015 16.268,1016 19.04,1017 11.912,1018 33.239,1019 15.945,1020 1.933,1021 5.242,1022 28.656,1023 2.613,1024 17.381,1025 20.31,1026 12.755,1027 35.601,1028 17.04,1029 15027,1030 28318,1031 20.978,1032 38.097,1033 48.48,1034 48.795,1035 49.295,1036 47.522,1037 47.384,1038 57.238,1039 7.931,1040 127.157,1041 45.604,1042 5.113,1043 5.596,1044 6.506,1045 5.184,1046 5.148,1047 6.859,1048 3.925,1049 17.488,1050 5.088,1051 20.783,1052 1.469,1053 1.479,1054 1.494,1055 1.44,1056 1.436,1057 1.734,1058 0.24,1059 3.853,1060 1.382,1061 3.983,1062 4.016,1063 3.907,1064 3.88,1065 7.474,1066 3.878,1067 3.911,1068 3.937,1069 3.848,1070 3.812,1071 6.728,1072 3.818,1073 3.741,1074 3.787,1075 3.619,1076 3.617,1077 6.473,1078 3.607,1079 3.616,1080 3.653,1081 3.508,1082 3.458,1083 6.463,1084 3.46,1085 3.484,1086 3.519,1087 3.378,1088 3.31,1089 6.449,1090 3.315,1091 3.337,1092 3.434,1093 3.322,1094 2.988,1095 6.434,1096 3.039,1097 3.165,1098 3.209,1099 3.036,1100 2.922,1101 6.351,1102 2.95,1103 3.155,1104 3.205,1105 2.991,1106 2.914,1107 4.794,1108 2.93,1109 0.127,1110 0.109,1111 0.202,1112 0.125,1113 0.095,1114 4.2,1115 0.117,1116 3.596,1117 0.071,1118 6.682,1119 0.325,1120 4.13,1121 0.094,1122 3.148,1123 3.859,1124 2.341,1125 10.723,1126 3.088,1127 1.872,1128 1.853,1129 2.017,1130 2.005,1131 1.352,1132 1.992,1133 1.827,1134 1.788,1135 1.957,1136 1.953,1137 1.233,1138 1.97,1139 1.719,1140 1.677,1141 1.91,1142 1.874,1143 1.154,1144 1.886,1145 1.599,1146 1.555,1147 1.822,1148 1.794,1149 1.05,1150 1.802,1151 1.481,1152 1.438,1153 1.712,1154 1.705,1155 0.963,1156 1.703,1157 1.344,1158 1.306,1159 1.572,1160 1.573,1161 0.775,1162 1.565,1163 1.106,1164 1.031,1165 1.347,1166 1.515,1167 0.538,1168 1.42,1169 1.036,1170 0.977,1171 1.212,1172 1.318,1173 0.341,1174 1.32,1175 4.205,1177 5.476,1178 2.398,1179 6.911,1180 4.844,1181 8.432,1182 6.986,1183 10.007,1189 49.037,1190 1.916,1192 5.435,1194 -2.985,1199 36.916,1200 98.38,1201 230.762,1202 308.755,1203 343.775,1204 349.775,1205 349.775,1206 137.856,1207 7.101,1208 176.21,1209 176.21,1210 11,1211 12.292,1212 3.585,1213 3.17,1214 77.21,1215 167,1216 177,1217 0.218,1218 231.953,1219 426.95,1220 557.724,1221 12642,1223 23.51,1224 0.735,1225 0.549,1226 23.51,1227 17.579,1228 15.295,1229 0.463,1230 0.316,1231 10.272,1232 14.536,1233 10.137,1234 8.344,1235 15.295,1236 10.438,1237 13.496,1238 0.314,1239 0.18,1240 13.496,1241 7.756,1242 9.72,1243 0.194,1244 0.106,1245 9.72,1246 5.279,1247 7.983,1248 0.129,1249 0.06,1250 7.983,1251 3.711,1252 5.691,1253 0.085,1254 0.034,1255 5.691,1256 2.285,1257 0.357,1258 97.553,1259 0.218,1260 30.892,1261 0.56,1262 152,1263 545.446,1264 171.911,1265 512.049,1266 646.96,1267 470,1268 169,1269 425.794,1270 186.034,1271 423.408,1272 601.4,1273 396,1274 4.959}
{0 CHEMBL90450,1 1.638,2 15.844,3 4.3755,4 19.1435,5 115.747,6 8.959,7 0.182,8 4.189,9 4.302,10 3.887,11 3.745,12 5.358,13 3.68,14 4.726,15 4.884,16 4.286,17 4.171,18 5.857,19 4.053,20 5.105,21 5.329,22 4.469,23 4.346,24 6.109,25 4.181,26 5.147,27 5.395,28 4.426,29 4.32,30 6.197,31 4.133,32 5.084,33 5.338,34 4.283,35 4.244,36 6.121,37 4.059,38 5.01,39 5.249,40 4.095,41 4.16,42 6.085,43 4.006,44 5.041,45 5.283,46 4.235,47 4.155,48 6.095,49 3.992,50 5.031,51 5.295,52 3.983,53 4.119,54 6.007,55 3.937,56 0.152,57 0.844,58 11.172,59 6.486,60 36.859,61 7.801,62 0.261,63 1.349,64 22.811,65 11.57,66 72.078,67 14.14,68 0.498,69 1.745,70 52.068,71 16.379,72 112.764,73 19.908,74 0.662,75 1.76,76 57.127,77 16.818,78 131.154,79 20.755,80 0.526,81 1.641,82 65.833,83 16.475,84 112.403,85 19.764,86 0.556,87 1.512,88 50.647,89 14.717,90 120.25,91 17.858,92 0.676,93 1.521,94 52.057,95 14.789,96 134.058,97 17.829,98 0.643,99 1.497,100 55.042,101 14.801,102 127.058,103 18.11,104 63,105 43,106 0.266,107 0.599,108 0.803,109 0.921,110 0.931,111 0.931,112 3.501,113 1.077,114 -3.98,115 -3.93,116 -3.73,118 37.1,120 7,121 2,125 3,129 4,133 3,134 1,135 2,145 1,150 1,151 1,153 1,154 14,155 1,156 1,158 2,159 1,160 1,162 7,164 17,165 1,167 4,170 7,171 17,172 1,173 1,175 2,178 1,179 7,180 14,181 2,182 3,184 2,189 7,192 12,193 4,194 1,196 2,199 1,200 7,202 12,203 2,204 1,206 1,209 1,210 7,211 12,212 2,213 1,215 2,217 1,219 6,222 11,223 2,226 2,230 6,231 1,232 1,233 10,234 2,235 1,236 2132,237 21.112,238 21.112,239 21.112,240 21.112,241 21.112,242 19.239,243 24.083,244 12.913,245 21.443,246 16.231,247 16.231,248 16.231,249 16.231,250 16.231,251 13.655,252 21.108,253 6.075,254 16.898,255 4.316,256 2.268,257 1.016,258 0.29,259 0.226,260 0.226,261 4.167,265 1,266 1,267 1025,268 4.637,270 113.179,271 127.006,277 2.531,278 44.784,280 0.75,281 0.67,282 0.67,283 0.9,284 1,285 0.5,286 0.5,287 0.71,288 69.9,289 507,290 4.262,291 3.596,292 6.682,293 4.13,294 3.148,295 3.929,296 2.341,297 10.723,298 3.088,299 4.172,300 3.336,301 6.07,302 3.8,303 2.87,304 3.21,305 0.765,306 8.766,307 2.652,308 3.636,309 3.135,310 5.356,311 3.378,312 2.417,313 2.962,315 6.739,316 2.297,317 3.552,318 2.831,319 5.281,320 3.241,321 2.236,322 2.712,324 6.265,325 2.223,326 3.456,327 2.493,328 4.979,329 3.147,330 2.175,331 2.554,333 5.857,334 2.098,335 3.207,336 2.374,337 4.662,338 2.988,339 2.03,340 2.283,342 5.184,343 1.941,344 3.124,345 2.147,346 4.657,347 2.752,348 1.772,349 2.259,351 4.75,352 1.728,353 2.972,354 1.913,355 4.198,356 2.568,357 1.586,358 1.973,360 3.823,361 1.549,362 2.766,363 1.906,364 3.796,365 2.392,366 1.53,367 1.825,369 3.446,370 1.161,371 2.69,372 1.532,373 3.494,374 2.126,375 1.139,376 1.673,378 2.487,379 1.098,380 2.339,381 1.153,382 3.298,383 2.087,384 1.094,385 1.258,387 2.11,388 1.057,389 2.176,390 1.095,391 3.176,392 1.826,393 0.831,394 1.018,395 1.802,396 0.825,397 1.758,398 0.846,399 2.95,400 1.523,401 0.549,402 0.618,403 1.203,404 0.529,405 1.469,406 0.691,407 2.633,408 1.232,409 0.247,410 0.279,411 0.531,412 0.236,413 1.361,414 0.42,415 2.392,416 0.938,417 0.044,418 0.054,419 0.084,420 0.021,421 16.01,422 0.5,423 0.774,424 0.024,425 30,426 0.938,427 12,428 0.375,429 18,430 0.563,431 38.19,432 1.193,433 36.19,434 0.584,435 21.754,436 0.68,437 5.486,438 0.171,439 9.826,440 0.307,441 0.232,443 0.281,447 0.846,448 0.962,449 0.513,450 0.703,451 0.821,452 0.933,453 0.608,454 1.19,455 0.575,456 0.844,457 0.567,458 1.131,459 0.938,460 1.062,461 0.762,462 0.888,463 0.879,464 1.032,465 0.864,466 0.983,467 0.728,468 0.832,469 0.796,470 0.979,471 0.882,472 0.972,473 0.968,474 0.998,475 0.85,476 0.98,477 0.903,478 0.987,479 0.691,480 0.846,481 0.865,482 1.001,483 1.068,484 0.949,485 0.648,486 0.815,487 0.947,488 1.001,489 0.983,490 0.845,491 0.679,492 0.762,493 0.957,494 0.918,495 6.5,496 0.25,497 3.556,498 2.326,499 1.463,500 0.927,501 0.655,502 0.372,503 0.311,504 0.305,505 15046,506 52116,507 1.926,508 48.4,509 8,510 10,513 4,514 2,515 4,516 2,517 1.741,518 1.778,519 3.882,520 1.601,524 1,525 101.547,526 1.638,527 3.686,528 4.938,529 5.664,530 5.728,531 5.728,532 3.394,533 4.688,534 4.964,535 4.104,536 2035.55,537 8.668,538 32816.1,542 369.16,543 1.494,544 4.911,545 0.197,546 0.007,547 0.083,548 0.054,549 0.038,550 0.025,551 0.018,552 0.011,553 0.01,554 0.009,555 0.452,556 0.17,557 0.75,558 1.917,559 174.155,560 -0.048,561 0.24,562 -0.006,563 0.07,564 -0.064,565 0.058,566 0.078,567 -0.085,568 0.005,569 -0.038,570 0.093,571 -0.122,572 -0.08,573 -0.093,574 0.014,575 -0.006,576 -0.076,577 -0.037,578 -0.009,579 -0.05,580 0.027,581 0.025,582 -0.001,583 0.005,584 -0.042,585 -0.043,586 -0.013,587 -0.024,588 -0.017,589 0.029,590 0.008,591 -0.053,592 -0.019,593 -0.037,594 0.007,595 -0.029,596 -0.058,597 -0.035,598 0.014,599 -0.019,600 -0.039,601 -0.043,602 -0.063,603 0.054,604 -0.011,605 0.031,606 -0.078,607 0.043,608 2.476,609 4.374,610 0.344,611 44.242,612 1.006,613 1.13,614 2.747,615 7.547,616 0.671,617 3.526,618 3.784,619 3.951,620 4.127,621 4.22,622 4.174,623 4.174,624 4.174,625 4.205,626 4.205,627 8.981,628 0.618,629 555.46,630 3.526,631 5.03,632 5.832,633 6.673,634 7.499,635 8.348,636 9.187,637 10.041,638 10.889,639 11.746,640 4.8,648 1,649 1,651 3,656 3,658 6,669 1,670 62,671 11,672 1,673 33,675 63,676 23,677 6,678 3,679 3,681 2,682 2,688 3,689 2,691 10,693 11,694 12,695 2,696 5,698 1,699 4,700 1,701 1,707 30,708 7,709 4,710 9,711 1,712 1,714 3,715 1,717 1,718 5,719 3,730 1,731 1,739 1,741 4,746 4,748 2,755 1,756 32,759 4,760 7,764 5,772 1,773 8.1,774 3,775 1,776 1,779 18,780 10.226,781 7.361,782 3.754,785 2.243,786 1.316,787 0.846,788 11.386,789 9.344,790 3.738,791 4.167,792 4.514,793 4.937,794 5.317,795 5.426,796 5.599,797 5.685,798 5.716,799 5.824,800 0.909,801 43,802 11.907,803 5.018,804 8.092,805 22.354,806 18.232,807 2.592,808 82.953,812 306.049,813 149.369,814 63.528,816 195.878,818 56.782,819 92.587,820 501.927,821 63.528,822 8.396,823 22.047,824 122.9765,825 79.738,826 22.775,828 306.049,830 306.049,831 156.115,832 195.878,834 56.782,835 264.8495,836 128.287,837 42.683,839 29.617,840 83.2955,841 37.905,843 306.049,844 259.406,845 92.587,846 56.782,848 306.049,849 26.254,850 123.116,852 259.406,853 306.049,854 259.406,855 92.587,856 56.782,857 0.564,858 0.311,859 0.161,860 0.085,861 15,862 9,863 0.19,864 12,866 1,867 4.397,868 252.461,870 11,871 160,874 26.524,875 13.736,876 8.979,878 244.091,879 5.56,884 2.457,886 170.733,887 714.824,888 41,890 10.541,891 7.356,892 3.619,893 -0.809,895 62.381,896 70.075,897 0.275,898 0.619,899 0.829,900 0.951,901 0.962,902 0.962,903 4.959,904 1.586,905 5.796,906 4.75,907 4.466,908 4.852,909 2.373,910 6.538,911 4.386,912 6.108,913 1.53,914 7.319,915 3.823,916 4.007,917 4.425,918 2.243,919 7.357,920 3.81,921 7.362,922 1.139,923 8.945,924 3.446,925 5.989,926 6.787,927 3.646,928 10.423,929 5.85,930 8.646,931 1.094,932 10.634,933 2.487,934 6.347,935 7.15,936 4.112,937 12.13,938 6.104,939 9.959,940 0.831,941 12.364,942 2.11,943 7.807,944 9.017,945 5.204,946 14.723,947 7.602,948 11.294,949 0.549,950 14.125,951 1.802,952 8.564,953 9.803,954 5.889,955 16.813,956 8.279,957 12.648,958 0.247,959 15.909,960 1.203,961 9.813,962 11.437,963 6.849,964 19.248,965 9.544,966 3.148,967 0.044,968 17.712,969 0.531,970 10.766,971 12.468,972 7.625,973 21.498,974 10.442,975 2.87,976 10.723,977 19.531,978 0.084,979 11.932,980 13.981,981 8.526,982 23.882,983 11.609,984 2.417,985 8.766,986 21.361,987 3.929,988 12.978,989 15.155,990 9.342,991 26.198,992 12.619,993 2.236,994 6.739,995 23.202,996 3.21,997 14.115,998 16.601,999 10.216,1000 28.566,1001 13.749,1002 2.175,1003 6.265,1004 25.052,1005 2.962,1006 15.205,1007 17.857,1008 11.051,1009 30.911,1010 14.814,1011 2.03,1012 5.857,1013 26.909,1014 2.712,1015 16.334,1016 19.268,1017 11.912,1018 33.276,1019 15.932,1020 1.772,1021 5.184,1022 28.771,1023 2.554,1024 17.445,1025 20.571,1026 12.755,1027 35.633,1028 17.025,1029 15286,1030 28617,1031 20.978,1032 41.608,1033 48.613,1034 48.426,1035 49.491,1036 47.737,1037 47.339,1038 57.215,1039 6.211,1040 127.539,1041 45.004,1042 5.175,1043 5.596,1044 6.506,1045 5.13,1046 5.148,1047 6.929,1048 3.925,1049 17.488,1050 5.088,1051 20.832,1052 1.473,1053 1.467,1054 1.5,1055 1.447,1056 1.435,1057 1.734,1058 0.188,1059 3.865,1060 1.364,1061 3.992,1062 4.027,1063 10.695,1064 4.042,1065 7.474,1066 3.914,1067 3.922,1068 3.954,1069 3.888,1070 3.867,1071 6.727,1072 3.845,1073 3.742,1074 3.788,1075 3.815,1076 3.622,1077 6.465,1078 3.609,1079 3.639,1080 3.686,1081 3.619,1082 3.553,1083 6.449,1084 3.499,1085 3.487,1086 3.524,1087 3.523,1088 3.364,1089 6.434,1090 3.321,1091 3.366,1092 3.453,1093 3.383,1094 3.306,1095 6.351,1096 3.164,1097 3.176,1098 3.252,1099 3.321,1100 3.104,1101 4.754,1102 2.93,1103 3.157,1104 3.205,1105 3.029,1106 2.921,1107 4.426,1108 2.922,1109 0.129,1110 0.109,1111 0.202,1112 0.125,1113 0.095,1114 4.262,1115 0.119,1116 3.596,1117 0.071,1118 6.682,1119 0.325,1120 4.13,1121 0.094,1122 3.148,1123 3.929,1124 2.341,1125 10.723,1126 3.088,1127 1.93,1128 1.905,1129 2.037,1130 2.01,1131 1.358,1132 2.026,1133 1.827,1134 1.788,1135 2.005,1136 1.95,1137 1.285,1138 1.972,1139 1.723,1140 1.681,1141 1.906,1142 1.873,1143 1.226,1144 1.885,1145 1.604,1146 1.559,1147 1.823,1148 1.795,1149 1.147,1150 1.803,1151 1.524,1152 1.477,1153 1.739,1154 1.726,1155 0.993,1156 1.73,1157 1.375,1158 1.332,1159 1.601,1160 1.59,1161 0.792,1162 1.585,1163 1.196,1164 1.139,1165 1.426,1166 1.509,1167 0.608,1168 1.452,1169 1.02,1170 0.946,1171 1.27,1172 1.331,1173 0.473,1174 1.326,1175 4.205,1177 5.476,1178 2.398,1179 6.917,1180 4.844,1181 8.444,1182 6.986,1183 10.024,1188 2.111,1189 39.682,1190 3.425,1194 -2.334,1199 38.33,1200 101.547,1201 228.533,1202 306.141,1203 351.16,1204 355.16,1205 355.16,1206 130.747,1207 7.101,1208 146.75,1209 146.75,1210 11,1211 12.301,1212 3.585,1213 3.17,1214 77.309,1215 170,1216 177,1217 0.214,1218 251.137,1219 451.95,1220 604.535,1221 12642,1222 1.6,1223 23.51,1224 0.735,1225 0.624,1226 25.01,1227 19.966,1228 15.312,1229 0.464,1230 0.359,1231 10.72,1232 14.084,1233 10.479,1234 8.629,1235 16.178,1236 11.849,1237 13.368,1238 0.311,1239 0.215,1240 14.481,1241 9.247,1242 10,1243 0.196,1244 0.129,1245 11.06,1246 6.579,1247 7.837,1248 0.128,1249 0.076,1250 8.837,1251 4.662,1252 5.772,1253 0.086,1254 0.044,1255 6.52,1256 2.915,1257 0.352,1258 109.736,1259 0.218,1260 31,1261 0.546,1262 152,1263 483.21,1264 315.173,1265 504.146,1266 632.28,1267 462,1268 170,1269 389.618,1270 240.765,1271 406.611,1272 578.81,1273 381,1274 6.456}
{0 CHEMBL90491,1 1.475,2 15.659,3 7.38,4 54.466,5 173.259,6 7.905,7 0.612,8 4.416,9 4.51,10 4.142,11 4.088,12 5.507,13 4.036,14 4.945,15 5.077,16 4.463,17 4.492,18 6.167,19 4.423,20 5.259,21 5.428,22 4.644,23 4.69,24 6.357,25 4.606,26 5.4,27 5.574,28 4.707,29 4.739,30 6.668,31 4.655,32 5.468,33 5.662,34 4.679,35 4.762,36 6.666,37 4.668,38 5.437,39 5.634,40 4.562,41 4.708,42 6.641,43 4.607,44 5.304,45 5.504,46 4.416,47 4.624,48 6.427,49 4.512,50 5.221,51 5.433,52 4.266,53 4.543,54 6.239,55 4.41,56 0.08,57 0.976,58 16.51,59 7.363,60 18.611,61 8.819,62 0.376,63 1.637,64 27.22,65 12.458,66 60.143,67 15.577,68 0.214,69 2.231,70 41.486,71 17.792,72 58.594,73 21.824,74 0.577,75 2.591,76 50.481,77 19.88,78 142.08,79 23.423,80 0.516,81 2.752,82 58.728,83 22.352,84 120.629,85 26.076,86 0.624,87 2.583,88 56.001,89 21.622,90 148.303,91 25.285,92 0.417,93 2.256,94 46.004,95 19.045,96 103.151,97 23.507,98 0.282,99 2.112,100 42.891,101 17.97,102 73.807,103 23.146,104 26,105 70,106 0.222,107 0.472,108 0.618,109 0.772,110 0.868,111 0.883,112 3.81,113 0.984,114 -6.45,115 -6.28,116 -5.83,118 48.7,119 1,120 2,121 1,124 1,133 21,134 7,135 2,145 2,154 32,157 2,158 6,160 3,162 1,164 37,167 15,170 4,171 31,174 2,175 22,179 5,180 24,184 22,189 5,192 31,196 16,200 3,202 40,206 11,210 1,211 42,215 7,222 38,225 2,226 3,228 1,233 33,236 3954,237 29.852,238 29.852,239 29.852,240 29.852,241 29.852,242 25.775,243 25.162,244 17.552,245 30.058,246 24.175,247 24.175,248 24.175,249 24.175,250 24.175,251 17.976,252 28.055,253 8.296,254 24.512,255 4.773,256 3.111,257 2.145,258 1.116,259 0.484,260 0.378,261 4.521,267 1519,268 4.416,271 626.128,273 140.208,276 421.1,277 2.478,278 51.503,280 0.5,281 0.5,282 0.67,283 0.4,284 0.5,285 0.67,286 1,287 0.6,288 93,289 689,290 4.904,291 4.711,292 7.434,293 4.392,294 3.463,295 4.758,296 1.969,297 13.061,298 3.203,299 4.482,300 3.772,301 6.815,302 4.184,303 3.207,304 4.034,305 1.23,306 11.211,307 3.136,308 4.223,309 3.745,310 6.352,311 3.927,312 2.923,313 3.843,314 0.521,315 9.514,316 2.931,317 4.168,318 3.037,319 6.3,320 3.792,321 2.799,322 3.784,323 0.219,324 9.453,325 2.774,326 4.13,327 2.874,328 6.202,329 3.75,330 2.758,331 3.597,333 9.063,334 2.725,335 3.819,336 2.799,337 5.635,338 3.461,339 2.47,340 3.313,342 7.482,343 2.446,344 3.588,345 2.733,346 5.314,347 3.241,348 2.245,349 2.863,351 6.642,352 2.231,353 3.519,354 2.575,355 5.129,356 3.094,357 2.085,358 2.805,360 5.859,361 2.093,362 3.274,363 2.04,364 4.843,365 2.821,366 1.821,367 2.579,369 5.074,370 1.821,371 2.976,372 1.848,373 4.621,374 2.571,375 1.57,376 2.158,378 4.405,379 1.571,380 2.941,381 1.722,382 4.173,383 2.53,384 1.536,385 2.113,387 3.593,388 1.521,389 2.888,390 1.658,391 4.048,392 2.442,393 1.438,394 2.019,395 3.199,396 1.439,397 2.851,398 1.499,399 3.752,400 2.414,401 1.414,402 1.989,403 3.046,404 1.414,405 2.709,406 1.355,407 3.658,408 2.21,409 1.213,410 1.788,411 2.892,412 1.207,413 2.61,414 1.313,415 3.609,416 2.125,417 1.13,418 1.654,419 2.805,420 1.122,421 21.467,422 0.488,423 1.115,424 0.025,425 63,426 1.432,427 36.5,428 0.83,429 26.5,430 0.602,431 39.165,432 0.89,433 44.533,434 0.586,435 58.599,436 1.332,437 12.275,438 0.279,439 9.04,440 0.205,441 0.085,442 0.039,443 0.298,447 0.474,448 1.08,449 0.787,450 1.042,451 0.582,452 0.873,453 0.469,454 1.026,455 0.865,456 0.975,457 0.53,458 0.965,459 0.873,460 1.144,461 0.911,462 1.051,463 0.863,464 0.994,465 1.228,466 1.142,467 1.113,468 1.085,469 1.112,470 1.036,471 1.407,472 1.019,473 1.185,474 1.057,475 1.309,476 0.966,477 1.574,478 0.916,479 1.148,480 0.957,481 1.576,482 0.957,483 1.164,484 0.944,485 1.018,486 0.963,487 1.194,488 1.008,489 0.765,490 1.071,491 1.032,492 1.098,493 0.789,494 1.109,495 8,496 0.335,497 6,498 3.938,499 2.778,500 2.264,501 1.118,502 0.767,503 0.496,504 0.399,505 35593,506 90426,507 2.117,508 42.1,509 7,510 23,513 1,514 1,517 1.822,518 1.992,519 3.848,520 -0.468,525 112.093,526 1.475,527 3.137,528 4.103,529 5.132,530 5.764,531 5.87,532 3.3,533 4.88,534 5.434,535 4.096,536 3875.15,537 9.619,538 71708.8,542 474.842,543 1.464,544 5.392,545 0.163,546 0.006,547 0.086,548 0.049,549 0.034,550 0.028,551 0.015,552 0.012,553 0.009,554 0.008,555 0.41,556 0.17,557 0.63,558 0.481,559 255.539,560 0.087,561 -0.04,562 0.166,563 -0.02,564 -0.094,565 0.042,566 0.294,567 0.004,568 0.015,569 -0.023,570 0.157,571 -0.046,572 0.001,573 -0.136,574 0.051,575 -0.066,576 -0.027,577 -0.036,578 0.02,579 -0.096,580 -0.066,581 -0.092,582 0.09,583 -0.102,584 -0.13,585 0.009,586 -0.064,587 -0.022,588 -0.036,589 0.002,590 -0.2,591 0.068,592 -0.094,593 0.047,594 -0.13,595 0.014,596 -0.123,597 0.014,598 -0.074,599 0.007,600 -0.1,601 -0.023,602 -0.029,603 -0.117,604 -0.095,605 -0.116,606 -0.043,607 -0.097,608 5.07,609 6.851,610 0.773,611 53.045,612 0.998,613 1.105,614 5.223,615 27.279,616 0.709,617 3.912,618 4.263,619 4.564,620 4.836,621 5.081,622 5.142,623 5.328,624 5.468,625 5.602,626 5.73,627 9.175,628 0.671,629 600.78,630 3.912,631 5.476,632 6.344,633 7.238,634 8.121,635 9.019,636 9.907,637 10.807,638 11.698,639 12.599,640 2.6,644 2,651 21,656 9,658 30,662 1,670 76,671 34,672 5,673 49,675 81,676 37,677 30,678 9,679 21,680 1,681 6,682 9,685 1,688 2,691 2,693 32,694 5,695 1,696 4,697 1,698 4,701 2,707 32,708 6,709 1,710 7,711 1,714 2,717 0.667,718 4,731 5,733 1,736 2,748 4,750 1,752 1,756 44,758 1,760 3,761 1,764 1,765 1,773 5.3,776 4,779 22.083,780 13.867,781 9.542,782 4.589,785 5.851,786 1.628,787 1.024,788 8.369,789 15.174,790 4.234,791 4.856,792 5.413,793 5.973,794 6.497,795 6.65,796 7.071,797 7.437,798 7.828,799 8.175,800 1,801 80,802 16.777,803 7.714,804 7.809,805 31.288,806 26.598,807 2.309,808 101.583,812 364.904,813 256.824,814 19.529,816 94.603,818 5.807,819 251.017,820 459.507,821 19.529,822 8.825,823 26.704,824 204.809,825 104.012,826 26.607,828 364.904,830 364.904,831 270.546,832 94.603,833 5.807,835 364.904,836 94.603,839 35.529,840 235.017,841 5.807,843 364.904,844 114.132,845 256.824,847 5.807,848 364.904,849 43.191,850 210.951,851 16.405,852 94.603,853 364.904,854 114.132,855 256.824,857 0.586,858 0.353,859 0.195,860 0.107,861 34,862 15,863 0.086,864 7,865 2,866 1.118,867 5.122,868 476.492,869 0.118,870 34,871 230.215,873 1,874 29.411,875 12.52,876 6.207,878 114.132,879 39.012,884 6.579,886 16.405,887 735.861,888 68,889 -4.153,890 53.661,893 -0.644,895 75.843,896 83.982,897 0.236,898 0.502,899 0.657,900 0.821,901 0.923,902 0.939,903 5.479,904 2.085,905 6.351,906 6.642,907 4.949,908 5.545,909 2.405,910 7.216,911 4.918,912 6.707,913 1.821,914 7.948,915 5.859,916 4.635,917 5.44,918 1.668,919 8.36,920 4.549,921 8.04,922 1.57,923 9.658,924 5.074,925 6.619,926 7.794,927 3.234,928 11.464,929 6.529,930 9.415,931 1.536,932 11.439,933 4.405,934 7.155,935 8.533,936 3.17,937 13.452,938 6.991,939 10.827,940 1.438,941 13.266,942 3.593,943 8.621,944 10.375,945 4.334,946 16.132,947 8.445,948 12.266,949 1.414,950 15.125,951 3.199,952 9.528,953 11.508,954 4.608,955 18.443,956 9.272,957 13.727,958 1.213,959 17.007,960 3.046,961 10.807,962 13.152,963 5.562,964 21.009,965 10.522,966 3.463,967 1.13,968 18.906,969 2.892,970 11.878,971 14.482,972 6.015,973 23.452,974 11.514,975 3.207,976 13.061,977 20.819,978 2.805,979 13.095,980 16.048,981 6.851,982 25.993,983 12.686,984 2.923,985 11.211,986 22.744,987 4.758,988 14.239,989 17.48,990 7.402,991 28.495,992 13.753,993 2.799,994 9.514,995 24.678,996 4.034,997 15.441,998 19.02,999 8.171,1000 31.036,1001 14.896,1002 2.758,1003 9.453,1004 26.62,1005 3.843,1006 16.62,1007 20.506,1008 8.776,1009 33.567,1010 15.999,1011 2.47,1012 9.063,1013 28.569,1014 3.784,1015 17.823,1016 22.042,1017 9.507,1018 36.114,1019 17.135,1020 2.245,1021 7.482,1022 30.525,1023 3.597,1024 19.02,1025 23.557,1026 10.142,1027 38.659,1028 18.256,1029 32884,1030 52660,1031 32.997,1032 53.898,1033 74.702,1034 76.779,1035 75.968,1036 74.127,1037 74.051,1038 100.4,1039 7.879,1040 217.913,1041 73.181,1042 5.816,1043 6.711,1044 7.236,1045 5.455,1046 5.463,1047 7.758,1048 3.473,1049 21.061,1050 5.203,1051 20.251,1052 1.525,1053 1.567,1054 1.55,1055 1.513,1056 1.511,1057 2.049,1058 0.161,1059 4.447,1060 1.493,1061 4.131,1062 4.132,1063 4.739,1064 4.109,1065 7.718,1066 4.055,1067 4.027,1068 4.04,1069 4.005,1070 3.965,1071 7.429,1072 3.953,1073 3.931,1074 3.959,1075 3.875,1076 3.872,1077 7.425,1078 3.865,1079 3.86,1080 3.876,1081 3.856,1082 3.815,1083 6.999,1084 3.789,1085 3.829,1086 3.848,1087 3.774,1088 3.782,1089 4.828,1090 3.763,1091 3.642,1092 3.661,1093 3.625,1094 3.547,1095 4.749,1096 3.504,1097 3.446,1098 3.469,1099 3.398,1100 3.323,1101 4.738,1102 3.295,1103 3.399,1104 3.448,1105 3.324,1106 3.237,1107 4.667,1108 3.233,1109 0.1,1110 0.096,1111 0.152,1112 0.09,1113 0.071,1114 4.904,1115 0.097,1116 4.711,1117 0.04,1118 7.434,1119 0.267,1120 4.392,1121 0.065,1122 3.463,1123 4.758,1124 1.969,1125 13.061,1126 3.203,1127 2.037,1128 2.032,1129 2.117,1130 2.11,1131 1.336,1132 2.122,1133 1.996,1134 1.976,1135 2.074,1136 2.07,1137 1.267,1138 2.089,1139 1.93,1140 1.903,1141 2.056,1142 2.014,1143 1.207,1144 2.029,1145 1.85,1146 1.827,1147 1.962,1148 1.924,1149 1.095,1150 1.942,1151 1.81,1152 1.797,1153 1.9,1154 1.889,1155 1.054,1156 1.915,1157 1.555,1158 1.54,1159 1.741,1160 1.733,1161 0.849,1162 1.745,1163 1.382,1164 1.363,1165 1.643,1166 1.567,1167 0.832,1168 1.592,1169 1.369,1170 1.32,1171 1.496,1172 1.536,1173 0.672,1174 1.584,1175 4.595,1177 5.938,1179 7.48,1181 9.111,1183 10.787,1185 1.679,1190 1.995,1191 2.269,1194 -0.638,1195 1.824,1199 50.991,1200 112.093,1201 238.391,1202 311.81,1203 390.049,1204 438.088,1205 446.088,1206 104.411,1207 9.323,1208 83.55,1209 91.93,1210 38,1211 13.123,1212 5.129,1213 4.322,1214 66.201,1215 249,1216 250,1217 0.129,1218 312.265,1219 550.79,1220 753.688,1221 206979,1223 30.683,1224 0.697,1225 0.571,1226 30.933,1227 25.128,1228 21.315,1229 0.435,1230 0.328,1231 14.626,1232 20.181,1233 14.124,1234 11.712,1235 22.136,1236 16.076,1237 19.516,1238 0.279,1239 0.18,1240 20.797,1241 12.623,1242 16.809,1243 0.177,1244 0.101,1245 17.914,1246 9.554,1247 14.193,1248 0.114,1249 0.056,1250 15.423,1251 6.979,1252 11.749,1253 0.073,1254 0.031,1255 12.778,1256 5.033,1257 0.206,1258 139.171,1259 0.174,1260 38.762,1261 0.345,1262 238,1263 643.781,1264 288.085,1265 656.486,1266 899.35,1267 608,1268 284,1269 635.897,1270 345.103,1271 688.078,1272 1007.65,1273 648,1274 5.276}
{0 CHEMBL92539,1 1.504,2 17.043,3 7.325,4 53.656,5 181.8,6 7.776,7 0.588,8 4.478,9 4.579,10 4.185,11 4.121,12 5.557,13 4.072,14 5.013,15 5.159,16 4.498,17 4.522,18 6.216,19 4.453,20 5.309,21 5.484,22 4.666,23 4.718,24 6.375,25 4.632,26 5.466,27 5.655,28 4.717,29 4.761,30 6.699,31 4.671,32 5.506,33 5.711,34 4.686,35 4.783,36 6.651,37 4.687,38 5.487,39 5.685,40 4.589,41 4.742,42 6.673,43 4.646,44 5.388,45 5.597,46 4.479,47 4.669,48 6.491,49 4.556,50 5.312,51 5.534,52 4.368,53 4.59,54 6.327,55 4.449,56 0.082,57 1.095,58 18.066,59 7.835,60 18.693,61 9.542,62 0.507,63 1.839,64 30.509,65 13.085,66 60.851,67 16.613,68 0.231,69 2.407,70 44.574,71 18.5,72 54.39,73 23.264,74 0.756,75 2.787,76 54.819,77 20.805,78 150.494,79 25.424,80 0.531,81 2.889,82 63.06,83 23.207,84 115.466,85 27.83,86 0.668,87 2.729,88 58.193,89 21.951,90 151.117,91 26.258,92 0.472,93 2.499,94 49.346,95 19.824,96 105.536,97 25.061,98 0.321,99 2.375,100 49.925,101 19.649,102 75.732,103 25.145,104 26,105 72,106 0.224,107 0.477,108 0.627,109 0.781,110 0.869,111 0.884,112 3.853,113 0.986,114 -6.27,115 -6.11,116 -5.68,118 46.9,120 3,123 1,124 2,133 21,134 7,135 2,145 1,146 1,154 31,157 3,158 6,160 4,164 36,167 14,170 2,171 29,174 4,175 21,179 4,180 22,184 21,189 4,192 28,196 19,200 4,202 33,206 14,210 3,211 31,215 12,219 1,222 25,225 2,226 8,228 1,233 24,236 4780,237 31.214,238 31.214,239 31.214,240 31.214,241 31.214,242 27.112,243 26.465,244 18.458,245 31.538,246 25.175,247 25.175,248 25.175,249 25.175,250 25.175,251 18.941,252 26.687,253 8.754,254 25.682,255 4.836,256 3.137,257 2.13,258 1.096,259 0.503,260 0.404,261 4.564,267 1725,268 4.637,271 677.828,273 150.648,276 451.85,277 2.913,278 51.503,280 0.5,281 0.5,282 0.67,283 0.4,284 0.5,285 0.67,286 1,287 0.6,288 97.5,289 784,290 4.904,291 4.711,292 7.433,293 4.388,294 3.461,295 4.758,296 1.678,297 13.059,298 3.191,299 4.482,300 3.772,301 6.815,302 4.184,303 3.207,304 4.034,305 1.23,306 11.211,307 3.135,308 4.21,309 3.634,310 6.3,311 3.82,312 2.83,313 3.842,314 0.527,315 9.454,316 2.795,317 4.165,318 3.037,319 6.248,320 3.779,321 2.787,322 3.784,323 0.521,324 9.285,325 2.76,326 3.925,327 2.873,328 5.852,329 3.615,330 2.65,331 3.447,333 7.85,334 2.562,335 3.847,336 2.796,337 5.634,338 3.482,339 2.488,340 3.319,342 7.474,343 2.467,344 3.77,345 2.727,346 5.336,347 3.423,348 2.44,349 2.992,351 6.928,352 2.377,353 3.581,354 2.577,355 5.3,356 3.231,357 2.234,358 2.854,360 6.622,361 2.219,362 3.276,363 2.134,364 4.931,365 2.83,366 1.832,367 2.581,369 5.239,370 1.828,371 2.976,372 2.039,373 4.623,374 2.571,375 1.57,376 2.158,378 4.408,379 1.571,380 2.941,381 1.847,382 4.179,383 2.544,384 1.546,385 2.113,387 3.596,388 1.54,389 2.94,390 1.658,391 4.125,392 2.529,393 1.536,394 2.104,395 3.457,396 1.521,397 2.851,398 1.561,399 3.851,400 2.414,401 1.414,402 1.989,403 3.052,404 1.414,405 2.717,406 1.499,407 3.658,408 2.27,409 1.29,410 1.801,411 3.025,412 1.256,413 2.613,414 1.355,415 3.613,416 2.175,417 1.179,418 1.659,419 2.841,420 1.171,421 22.367,422 0.486,423 1.132,424 0.025,425 64.75,426 1.408,427 36.5,428 0.793,429 28.25,430 0.614,431 41.536,432 0.903,433 47.233,434 0.583,435 61.172,436 1.33,437 12.805,438 0.278,439 9.493,440 0.206,441 0.082,442 0.037,443 0.282,447 0.514,448 1.185,449 0.797,450 1.085,451 0.579,452 0.907,453 0.512,454 0.947,455 0.883,456 0.929,457 0.517,458 0.94,459 0.834,460 1.179,461 0.922,462 1.099,463 0.825,464 1.031,465 1.204,466 1.086,467 1.064,468 1.026,469 1.153,470 1.017,471 1.303,472 1.011,473 1.198,474 1.072,475 1.205,476 0.941,477 1.612,478 0.97,479 1.146,480 0.974,481 1.656,482 0.983,483 1.217,484 0.993,485 0.975,486 0.944,487 1.24,488 1.027,489 0.825,490 1.105,491 1.111,492 1.154,493 0.788,494 1.103,495 8.5,496 0.405,497 6,498 3.563,499 2.818,500 2.34,501 1.059,502 0.811,503 0.557,504 0.458,505 41499,506 103844,507 2.112,508 43.2,509 4,510 28,513 1,515 2,517 1.832,518 1.993,519 3.946,520 -0.457,525 121.827,526 1.504,527 3.203,528 4.21,529 5.244,530 5.837,531 5.935,532 3.417,533 5.219,534 5.494,535 4.218,536 4366.13,537 9.739,538 85099.7,542 513.528,543 1.434,544 5.459,545 0.167,546 0.007,547 0.083,548 0.044,549 0.034,550 0.028,551 0.014,552 0.012,553 0.01,554 0.009,555 0.408,556 0.17,557 0.63,558 0.468,559 272.306,560 0.083,561 -0.099,562 0.166,563 -0.041,564 -0.089,565 0.028,566 0.312,567 0.131,568 0.017,569 0.031,570 0.173,571 -0.013,572 0.011,573 -0.162,574 0.041,575 -0.102,576 -0.021,577 -0.062,578 0.062,579 -0.047,580 -0.037,581 -0.046,582 0.085,583 -0.075,584 -0.106,585 0.014,586 -0.051,587 -0.016,588 -0.009,589 0.038,590 -0.218,591 0.009,592 -0.128,593 0.009,594 -0.161,595 -0.024,596 -0.137,597 -0.021,598 -0.06,599 -0.001,600 -0.124,601 -0.053,602 -0.019,603 -0.121,604 -0.061,605 -0.12,606 -0.006,607 -0.088,608 5.087,609 6.871,610 0.739,611 63.127,612 0.998,613 1.11,614 5.045,615 25.451,616 0.7,617 3.951,618 4.29,619 4.575,620 4.836,621 5.088,622 5.142,623 5.323,624 5.472,625 5.606,626 5.724,627 9.882,628 0.661,629 629.83,630 3.951,631 5.509,632 6.368,633 7.255,634 8.131,635 9.022,636 9.905,637 10.8,638 11.687,639 12.583,640 3.7,644 3,651 21,656 9,658 30,662 1,670 81,671 34,672 5,673 51,675 86,676 38,677 30,678 9,679 21,680 1,681 6,682 9,684 1,688 2,691 3,693 32,694 6,696 4,697 1,698 4,701 2,707 35,708 7,709 1,710 8,711 1,714 3,717 0.667,718 4,731 5,733 1,736 2,748 4,750 1,752 1,756 46,758 1,760 5,761 1,765 2,773 4.9,776 4,779 23.083,780 14.733,781 10.014,782 4.814,785 5.817,786 1.619,787 1.02,788 9.347,789 15.209,790 4.263,791 4.871,792 5.413,793 5.959,794 6.483,795 6.625,796 7.04,797 7.415,798 7.815,799 8.147,800 1,801 81,802 17.511,803 7.951,804 7.788,805 32.762,806 27.568,807 2.288,808 105.25,812 400.217,813 260.607,814 22.654,816 94.603,818 5.807,819 254.8,820 494.82,821 22.654,822 8.396,823 34.469,824 204.809,825 99.307,826 26.607,827 4.276,828 400.217,830 400.217,831 277.453,832 94.603,833 5.807,835 376.675,836 118.145,839 34.469,840 242.985,841 5.807,843 400.217,844 117.256,845 260.607,847 5.807,848 400.217,849 47.402,850 213.646,851 16.405,852 94.603,853 400.217,854 117.256,855 260.607,857 0.584,858 0.346,859 0.188,860 0.105,861 34,862 15,863 0.093,864 8,865 2,866 1.118,867 5.341,868 496.181,869 0.118,870 34,871 244.084,873 1,874 31.288,875 13.741,876 7.096,878 117.256,879 39.656,884 6.887,886 16.405,887 778.081,888 70,889 -4.17,890 53.659,893 -0.742,895 80.829,896 89.896,897 0.237,898 0.505,899 0.664,900 0.827,901 0.921,902 0.936,903 5.503,904 2.234,905 6.368,906 6.928,907 4.977,908 5.561,909 2.256,910 7.216,911 4.935,912 6.724,913 1.832,914 7.953,915 6.622,916 4.635,917 5.44,918 1.404,919 8.336,920 4.525,921 8.051,922 1.57,923 9.652,924 5.239,925 6.629,926 7.795,927 2.746,928 11.431,929 6.517,930 9.42,931 1.546,932 11.423,933 4.408,934 7.14,935 8.525,936 2.512,937 13.415,938 6.939,939 10.826,940 1.536,941 13.241,942 3.596,943 8.611,944 10.368,945 3.482,946 16.093,947 8.4,948 12.26,949 1.414,950 15.092,951 3.457,952 9.5,953 11.496,954 3.581,955 18.408,956 9.197,957 13.716,958 1.29,959 16.969,960 3.052,961 10.781,962 13.141,963 4.346,964 20.976,965 10.449,966 3.461,967 1.179,968 18.865,969 3.025,970 11.843,971 14.469,972 4.634,973 23.426,974 11.422,975 3.207,976 13.059,977 20.777,978 2.841,979 13.061,980 16.037,981 5.286,982 25.971,983 12.592,984 2.83,985 11.211,986 22.701,987 4.758,988 14.202,989 17.469,990 5.679,991 28.478,992 13.648,993 2.787,994 9.454,995 24.635,996 4.034,997 15.405,998 19.011,999 6.269,1000 31.022,1001 14.79,1002 2.65,1003 9.285,1004 26.579,1005 3.842,1006 16.583,1007 20.498,1008 6.72,1009 33.555,1010 15.887,1011 2.488,1012 7.85,1013 28.53,1014 3.784,1015 17.788,1016 22.035,1017 7.276,1018 36.104,1019 17.022,1020 2.44,1021 7.474,1022 30.488,1023 3.447,1024 18.986,1025 23.551,1026 7.757,1027 38.651,1028 18.14,1029 38401,1030 61010,1031 34.383,1032 56.665,1033 77.105,1034 79.232,1035 78.415,1036 76.657,1037 76.572,1038 102.916,1039 7.913,1040 222.481,1041 75.224,1042 5.84,1043 6.711,1044 7.235,1045 5.462,1046 5.461,1047 7.758,1048 2.926,1049 21.045,1050 5.191,1051 20.873,1052 1.512,1053 1.554,1054 1.538,1055 1.503,1056 1.501,1057 2.018,1058 0.155,1059 4.362,1060 1.475,1061 4.128,1062 4.131,1063 4.738,1064 4.106,1065 7.718,1066 4.052,1067 4.027,1068 4.039,1069 4.006,1070 3.966,1071 7.429,1072 3.953,1073 3.921,1074 3.956,1075 3.873,1076 3.859,1077 7.426,1078 3.851,1079 3.868,1080 3.882,1081 3.843,1082 3.819,1083 6.999,1084 3.791,1085 3.831,1086 3.853,1087 3.774,1088 3.782,1089 4.829,1090 3.765,1091 3.676,1092 3.722,1093 3.629,1094 3.549,1095 4.752,1096 3.517,1097 3.537,1098 3.555,1099 3.518,1100 3.372,1101 4.74,1102 3.354,1103 3.399,1104 3.45,1105 3.325,1106 3.237,1107 4.667,1108 3.233,1109 0.096,1110 0.092,1111 0.146,1112 0.086,1113 0.068,1114 4.904,1115 0.093,1116 4.711,1117 0.033,1118 7.433,1119 0.256,1120 4.388,1121 0.063,1122 3.461,1123 4.758,1124 1.678,1125 13.059,1126 3.191,1127 2.036,1128 2.03,1129 2.117,1130 2.11,1131 1.336,1132 2.121,1133 1.995,1134 1.975,1135 2.074,1136 2.067,1137 1.264,1138 2.087,1139 1.922,1140 1.891,1141 2.058,1142 2.014,1143 1.239,1144 2.03,1145 1.85,1146 1.828,1147 1.962,1148 1.926,1149 1.097,1150 1.945,1151 1.812,1152 1.799,1153 1.901,1154 1.9,1155 1.055,1156 1.92,1157 1.592,1158 1.553,1159 1.792,1160 1.818,1161 0.929,1162 1.816,1163 1.423,1164 1.415,1165 1.643,1166 1.6,1167 0.833,1168 1.638,1169 1.381,1170 1.32,1171 1.524,1172 1.564,1173 0.676,1174 1.587,1175 4.635,1177 5.969,1179 7.499,1181 9.117,1183 10.782,1185 1.576,1190 2.962,1191 2.233,1195 3.19,1199 53.539,1200 121.827,1201 259.435,1202 340.985,1203 424.734,1204 472.773,1205 480.773,1206 107.855,1207 9.391,1208 86.79,1209 95.17,1210 38,1211 13.11,1212 5.129,1213 4.322,1214 70.91,1215 276,1216 308,1217 0.123,1218 328.652,1219 579.09,1220 793.671,1221 231776,1223 32.097,1224 0.698,1225 0.574,1226 32.347,1227 26.412,1228 22.298,1229 0.437,1230 0.329,1231 15.279,1232 21.06,1233 14.763,1234 12.253,1235 23.119,1236 16.762,1237 20.317,1238 0.282,1239 0.182,1240 21.599,1241 13.089,1242 17.245,1243 0.18,1244 0.102,1245 18.35,1246 9.747,1247 14.343,1248 0.115,1249 0.056,1250 15.58,1251 7.045,1252 11.995,1253 0.075,1254 0.032,1255 13.025,1256 5.112,1257 0.197,1258 145.73,1259 0.171,1260 40.463,1261 0.324,1262 246,1263 671.426,1264 298.332,1265 682.087,1266 932.43,1267 632,1268 291,1269 658.362,1270 354.713,1271 711.573,1272 1039.13,1273 668,1274 5.208}