@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4089 @attribute molecule_id {CHEMBL189528,CHEMBL189679,CHEMBL191919,CHEMBL193276,CHEMBL194333,CHEMBL195098,CHEMBL195201,CHEMBL195732,CHEMBL362995,CHEMBL363203,CHEMBL363799,CHEMBL365364,CHEMBL365523,CHEMBL370034,CHEMBL370703,CHEMBL371783,CHEMBL371841,CHEMBL373076} @attribute SIC4 numeric @attribute SIC5 numeric @attribute GATS5m numeric @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.004 numeric @attribute C.006 numeric @attribute C.009 numeric @attribute C.016 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.039 numeric @attribute C.040 numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_LL numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.089 numeric @attribute CMC.80 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute DECC numeric @attribute DELS numeric @attribute 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.ed. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA numeric @attribute Eig08_EA.bo. numeric @attribute Eig08_EA.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.ed. numeric @attribute Eig09_EA.ri. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA numeric @attribute Eig10_EA.bo. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_alpha_A numeric @attribute Eta_B numeric @attribute Eta_B_A numeric @attribute Eta_beta numeric @attribute Eta_beta_A numeric @attribute Eta_betaP numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute Eta_betaS_A numeric @attribute Eta_C numeric @attribute Eta_C_A numeric @attribute Eta_epsi numeric @attribute Eta_epsi_A numeric @attribute Eta_F numeric @attribute Eta_F_A numeric @attribute Eta_FL numeric @attribute Eta_FL_A numeric @attribute Eta_L numeric @attribute Eta_L_A numeric @attribute Eta_sh_p numeric @attribute Eta_sh_x numeric @attribute Eta_sh_y numeric @attribute F.084 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 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.051 numeric @attribute H.052 numeric @attribute HDcpx numeric @attribute HNar numeric @attribute HVcpx numeric @attribute Hy 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 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.071 numeric @attribute N.072 numeric @attribute N.074 numeric @attribute NaaCH numeric @attribute NaasC numeric @attribute nAB numeric @attribute nArCO numeric @attribute nArX numeric @attribute nAT numeric @attribute nBM numeric @attribute nBnz numeric @attribute nBO numeric @attribute nBT numeric @attribute nC numeric @attribute nCar numeric @attribute nCb. numeric @attribute nCbH numeric @attribute nCconj numeric @attribute nCIC numeric @attribute nCIR numeric @attribute nCL numeric @attribute nCp numeric @attribute nCq numeric @attribute nCrq numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCs numeric @attribute nCsp numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nDB numeric @attribute NdO numeric @attribute NdsCH numeric @attribute NdssC numeric @attribute nF numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHet numeric @attribute nHM numeric @attribute nN numeric @attribute nO numeric @attribute nR06 numeric @attribute nRCN numeric @attribute nR.Cs numeric @attribute nRNR2 numeric @attribute nROR numeric @attribute NRS numeric @attribute nRSR numeric @attribute nS numeric @attribute NsCH3 numeric @attribute NsCl numeric @attribute NsF numeric @attribute nSK numeric @attribute NssCH2 numeric @attribute NssO numeric @attribute NssS numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssC numeric @attribute nTB numeric @attribute NtN numeric @attribute NtsC numeric @attribute nX numeric @attribute O. numeric @attribute O.058 numeric @attribute O.059 numeric @attribute ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute ON1V numeric @attribute PCD numeric @attribute PCR numeric @attribute PDI numeric @attribute PHI numeric @attribute piID numeric @attribute piPC01 numeric @attribute piPC02 numeric @attribute piPC03 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute piPC09 numeric @attribute piPC10 numeric @attribute PJI2 numeric @attribute Pol numeric @attribute Psi_e_0 numeric @attribute Psi_e_1 numeric @attribute Psi_e_A numeric @attribute Psi_i_0 numeric @attribute Psi_i_1 numeric @attribute Psi_i_A numeric @attribute Psi_i_s numeric @attribute Psychotic.80 numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_4 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_e_6 numeric @attribute P_VSA_i_1 numeric @attribute P_VSA_i_2 numeric @attribute P_VSA_i_3 numeric @attribute P_VSA_i_4 numeric @attribute P_VSA_LogP_1 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_LogP_3 numeric @attribute P_VSA_LogP_4 numeric @attribute P_VSA_LogP_5 numeric @attribute P_VSA_LogP_6 numeric @attribute P_VSA_LogP_7 numeric @attribute P_VSA_LogP_8 numeric @attribute P_VSA_m_1 numeric @attribute P_VSA_m_2 numeric @attribute P_VSA_m_3 numeric @attribute P_VSA_m_4 numeric @attribute P_VSA_MR_1 numeric @attribute P_VSA_MR_2 numeric @attribute P_VSA_MR_3 numeric @attribute P_VSA_MR_5 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_MR_7 numeric @attribute P_VSA_MR_8 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_s_4 numeric @attribute P_VSA_s_5 numeric @attribute P_VSA_s_6 numeric @attribute P_VSA_v_1 numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_v_3 numeric @attribute PW2 numeric @attribute PW3 numeric @attribute PW4 numeric @attribute PW5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute RBF numeric @attribute RBN numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute Rperim numeric @attribute S0K numeric @attribute S.107 numeric @attribute S1K numeric @attribute S2K numeric @attribute S3K numeric @attribute SAacc numeric @attribute SaaCH numeric @attribute SaasC numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SdO numeric @attribute SdsCH numeric @attribute SdssC numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 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 pXC50 numeric @data {1 0.747,2 0.747,3 0.695,4 1.401,5 14.933,6 11.87,7 140.897,8 184.468,9 7.376,10 0.49,11 4.519,12 4.637,13 4.08,14 4.147,15 5.525,16 4.082,17 5.082,18 5.252,19 4.447,20 4.558,21 6.023,22 4.459,23 5.43,24 5.66,25 4.562,26 4.71,27 6.347,28 4.587,29 5.504,30 5.743,31 4.505,32 4.705,33 6.498,34 4.584,35 5.525,36 5.757,37 4.565,38 4.755,39 6.506,40 4.646,41 5.589,42 5.81,43 4.625,44 4.845,45 6.57,46 4.719,47 5.667,48 5.906,49 4.677,50 4.902,51 6.601,52 4.746,53 5.681,54 5.939,55 4.657,56 4.889,57 6.552,58 4.711,59 0.076,60 1.12,61 18.06,62 8.559,63 10.097,64 11.633,65 0.229,66 1.907,67 34.782,68 14.977,69 29.681,70 20.66,71 0.437,72 2.563,73 57.063,74 21.148,75 51.733,76 29.062,77 0.665,78 2.746,79 61.564,80 21.512,81 108.387,82 29.209,83 0.621,84 2.801,85 59.082,86 22.055,87 93.089,88 29.864,89 0.642,90 2.944,91 63.364,92 24.283,93 100.059,94 32.539,95 0.712,96 3.144,97 72.437,98 27.317,99 115.331,100 36.902,101 0.682,102 3.166,103 75.915,104 28.229,105 107.16,106 38.591,107 17,108 66,109 0.209,110 0.43,111 0.541,112 0.675,113 0.717,114 0.717,115 3.832,116 1.042,117 -9.3,118 -8.99,119 -8.25,120 44.8,122 12,124 1,128 18,129 2,130 4,132 2,133 30,134 8,135 37,136 2,137 16,138 34,139 16,140 25,142 18,143 36,145 14,146 43,148 10,149 40,150 10,151 41,152 8,153 40,154 6002,155 30.862,156 30.862,157 30.862,158 30.862,159 30.862,160 27.674,161 26.54,162 18.842,163 31.23,164 24.175,165 24.175,166 24.175,167 24.175,168 24.175,169 19.53,170 29.765,171 8.985,172 24.864,173 5.041,174 3.556,175 2.811,176 1.914,177 1.632,178 1.632,179 4.535,180 2,183 1444,184 4.472,185 147.312,186 726.439,187 2.293,188 40.912,189 0.5,190 0.5,191 0.5,192 0.6,193 0.5,194 0.5,195 0.5,196 0.51,197 93.667,198 672,199 4.842,200 4.406,201 8.058,202 4.728,203 3.734,204 4.073,205 2.166,206 15.527,207 3.709,208 4.124,209 3.394,210 6.736,211 3.871,212 2.904,213 3.624,214 1.722,215 10.843,216 2.798,217 4.027,218 3.119,219 6.094,220 3.596,221 2.641,222 3.599,223 0.215,224 8.442,225 2.522,226 3.896,227 2.933,228 5.34,229 3.522,230 2.522,231 3.444,232 0.109,233 6.965,234 2.522,235 3.896,236 2.853,237 5.34,238 3.522,239 2.522,240 3.444,242 6.965,243 2.516,244 3.643,245 2.718,246 5.294,247 3.236,248 2.336,249 2.906,251 6.262,252 2.059,253 3.518,254 2.718,255 5.144,256 3.09,257 2.18,258 2.79,259 6.127,260 1.947,261 3.123,262 2.388,263 4.91,264 2.793,265 1.793,266 2.243,267 4.956,268 1.793,269 2.972,270 2.317,271 4.718,272 2.779,273 1.783,274 2.121,275 4.636,276 1.768,277 2.964,278 1.799,279 4.1,280 2.647,281 1.642,282 2.12,283 3.652,284 1.572,285 2.912,286 1.755,287 3.951,288 2.548,289 1.566,290 1.976,291 3.564,292 1.518,293 2.743,294 1.569,295 3.761,296 2.504,297 1.504,298 1.755,299 3.142,300 1.504,301 2.655,302 1.531,303 3.692,304 2.42,305 1.436,306 1.666,307 3.089,308 1.383,309 2.5,310 1.457,311 3.541,312 2.11,313 1.11,314 1.5,315 2.372,316 1.11,317 2.5,318 1.111,319 3.45,320 2.013,321 1.016,322 1.5,323 2.282,324 1.006,325 22.395,326 0.498,327 0.868,328 0.019,329 54.5,330 1.211,331 28,332 0.622,333 26.5,334 0.589,335 52.818,336 1.174,337 47.805,338 0.549,339 45.294,340 1.007,341 9.788,342 0.218,343 12.188,344 0.271,345 0.094,346 0.022,347 0.214,349 0.526,350 1.125,351 0.676,352 0.968,353 0.503,354 0.957,355 0.539,356 1.29,357 0.759,358 1.079,359 0.533,360 1.074,361 0.847,362 1.131,363 0.851,364 1.007,365 0.838,366 0.965,367 1.349,368 1.004,369 0.88,370 0.916,371 1.349,372 0.926,373 1.314,374 0.958,375 0.875,376 1.578,377 0.895,378 1.338,379 1.03,380 0.804,381 0.975,382 1.713,383 1.015,384 1.034,385 1.03,386 0.837,387 0.989,388 1.262,389 1.026,390 0.833,391 1,392 0.823,393 0.958,394 0.915,395 0.99,396 7,397 0.377,398 4.667,399 3.708,400 3.017,401 1.744,402 0.963,403 0.872,404 0.563,405 0.463,406 36408,407 87990,408 2.09,409 48.3,410 24,411 18,415 1.836,416 1.993,417 3.794,418 -0.862,419 121.928,420 1.401,421 2.887,422 3.632,423 4.529,424 4.811,425 4.811,426 3.347,427 4.036,428 5.45,429 4.067,430 4026.01,431 9.718,432 77707.2,433 560.536,434 1.305,435 5.436,436 0.143,437 0.005,438 0.071,439 0.052,440 0.044,441 0.024,442 0.013,443 0.012,444 0.008,445 0.007,446 0.38,447 0.33,448 0.5,449 0.432,450 262.963,451 0.059,452 0.004,453 0.028,454 0.007,455 0.012,456 0.02,457 0.142,458 -0.203,459 0.008,460 -0.114,461 0.05,462 -0.1,463 0.115,464 -0.101,465 0.049,466 -0.044,467 0.067,468 0.007,469 -0.034,470 0.04,471 -0.026,472 0.013,473 0.065,474 0.013,475 -0.037,476 0.076,477 0.032,478 0.047,479 -0.024,480 0.044,481 -0.075,482 -0.016,483 -0.036,484 -0.032,485 -0.12,486 -0.063,487 0.031,488 -0.042,489 0.021,490 -0.024,491 -0.024,492 -0.051,493 0.083,494 -0.026,495 0.083,496 0.018,497 0.044,498 -0.001,499 2.363,500 7.588,501 0.644,502 73.209,503 0.989,504 1.115,505 8.072,506 65.152,507 0.685,508 3.912,509 4.205,510 4.489,511 4.754,512 5.011,513 5.081,514 5.22,515 5.357,516 5.442,517 5.438,518 9.206,519 0.634,520 641.73,521 3.912,522 5.442,523 6.29,524 7.165,525 8.044,526 8.94,527 9.841,528 10.753,529 11.67,530 12.596,531 2.3,534 2,536 18,537 6,538 24,540 2,541 87,542 26,543 4,544 49,545 91,546 39,547 24,548 6,549 18,551 5,552 5,553 2,555 1,556 1,559 12,561 26,562 13,564 2,565 2,567 2,569 42,570 4,571 6,572 2,573 2,574 2,575 4,580 5,584 2,586 45,587 12,591 2,592 1,596 2,597 2.3,598 2,600 22.583,601 15.269,602 10.139,603 5.853,604 2.084,605 1.255,606 0.972,607 12.016,608 10.263,609 4.159,610 4.673,611 5.176,612 5.656,613 6.142,614 6.129,615 6.419,616 6.742,617 6.963,618 7.075,619 1,620 71,621 16.836,622 7.208,623 7.607,624 32.774,625 27.391,626 2.107,627 94.806,629 494.386,630 229.282,631 6.004,632 78.297,633 50.29,636 229.282,637 622.973,638 6.004,640 36.418,641 170.572,642 59.699,643 18.886,645 494.386,646 78.297,647 494.386,648 235.286,649 50.29,650 78.297,651 494.386,652 50.29,654 36.418,655 198.868,656 78.297,658 494.386,659 56.293,660 307.579,661 494.386,662 58.71,663 176.576,665 128.587,666 494.386,667 56.293,668 307.579,669 0.567,670 0.331,671 0.181,672 0.104,673 28,674 12,675 0.176,676 16,677 5.354,678 463.869,679 29,680 187.133,682 33.101,683 16.336,684 8.509,685 56.293,686 35.335,687 5.096,688 858.259,689 63,690 29.176,692 -0.309,693 86.061,694 97.023,695 0.218,696 0.448,697 0.564,698 0.703,699 5.384,700 1.793,701 6.263,702 6.127,703 4.89,704 5.361,705 2.641,706 7.109,707 4.841,708 6.555,709 1.783,710 7.842,711 4.956,712 4.443,713 4.956,714 2.179,715 8.385,716 4.321,717 7.845,718 1.642,719 9.553,720 4.636,721 6.518,722 7.425,723 3.76,724 11.557,725 6.431,726 9.177,727 1.566,728 11.357,729 3.652,730 7.031,731 7.849,732 3.84,733 13.845,734 6.914,735 10.552,736 1.504,737 13.231,738 3.564,739 8.555,740 9.776,741 5.063,742 16.665,743 8.453,744 11.959,745 5.086} {0 CHEMBL189679,1 0.814,2 0.814,3 0.616,4 1.515,5 13.412,6 8.101,7 65.62,8 136.767,9 7.992,10 0.486,11 4.198,12 4.309,13 3.828,14 3.827,15 5.263,16 3.775,17 4.747,18 4.907,19 4.231,20 4.236,21 5.764,22 4.16,23 5.08,24 5.285,25 4.354,26 4.383,27 6.132,28 4.288,29 5.166,30 5.393,31 4.239,32 4.353,33 6.284,34 4.258,35 5.114,36 5.327,37 4.277,38 4.384,39 6.195,40 4.297,41 5.177,42 5.379,43 4.301,44 4.459,45 6.259,46 4.343,47 5.23,48 5.47,49 4.307,50 4.452,51 6.24,52 4.291,53 5.128,54 5.39,55 4.233,56 4.325,57 6.082,58 4.141,59 0.033,60 0.809,61 11.478,62 5.798,63 6.521,64 7.654,65 0.148,66 1.364,67 23.007,68 10.137,69 24.705,70 13.646,71 0.311,72 1.809,73 39.858,74 14.296,75 42.926,76 18.992,77 0.64,78 1.951,79 45.111,80 14.547,81 109.064,82 18.741,83 0.424,84 1.853,85 37.863,86 14.428,87 71.346,88 18.903,89 0.438,90 1.922,91 40.46,92 15.989,93 81.535,94 20.661,95 0.516,96 1.977,97 48.588,98 17.985,99 97.327,100 23.788,101 0.466,102 1.756,103 47.318,104 16.682,105 83.726,106 22.435,107 26,108 52,109 0.243,110 0.492,111 0.624,112 0.744,113 0.775,114 0.775,115 3.561,116 1.005,117 -7.54,118 -7.31,119 -6.75,120 45.2,121 1,122 6,124 1,128 13,129 1,130 4,132 2,133 18,134 8,135 23,136 2,137 16,138 21,139 12,140 14,142 14,143 25,145 10,146 28,148 6,149 21,150 6,151 22,152 4,153 19,154 2388,155 22.843,156 22.843,157 22.843,158 22.843,159 22.843,160 20.406,161 22.902,162 13.57,163 23.211,164 18.204,165 18.204,166 18.204,167 18.204,168 18.204,169 14.597,170 28.295,171 6.447,172 18.893,173 4.439,174 2.878,175 2.058,176 1.307,177 1.109,178 1.109,179 4.252,180 2,182 1,183 981,184 3.674,185 105.309,186 377.97,187 1.976,188 35.421,189 0.75,190 0.67,191 0.67,192 0.7,193 0.5,194 0.83,195 1,196 0.73,197 71.667,198 456,199 4.815,200 4.389,201 7.937,202 4.694,203 3.701,204 4.056,205 2.166,206 14.906,207 3.672,208 4.107,209 3.394,210 6.689,211 3.844,212 2.876,213 3.624,214 1.722,215 10.616,216 2.776,217 4.027,218 3.104,219 6.094,220 3.596,221 2.641,222 3.585,223 0.215,224 8.442,225 2.522,226 3.896,227 2.933,228 5.34,229 3.522,230 2.522,231 3.444,232 0.109,233 6.965,234 2.516,235 3.63,236 2.846,237 5.294,238 3.226,239 2.329,240 2.891,242 6.247,243 2.045,244 3.518,245 2.718,246 5.134,247 3.09,248 2.18,249 2.79,251 6.127,252 1.947,253 3.123,254 2.388,255 4.91,256 2.785,257 1.787,258 2.243,259 4.956,260 1.779,261 2.967,262 2.26,263 4.675,264 2.647,265 1.642,266 2.121,267 4.552,268 1.572,269 2.873,270 1.769,271 4.049,272 2.531,273 1.546,274 1.922,275 3.594,276 1.512,277 2.675,278 1.547,279 3.748,280 2.423,281 1.444,282 1.687,283 3.111,284 1.374,285 2.5,286 1.457,287 3.535,288 2.054,289 1.056,290 1.5,291 2.322,292 1.048,293 2.5,294 1.05,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.5,302 1,303 3.414,304 2,305 1,306 1.5,307 2.275,308 1,309 2.18,310 1,311 3.387,312 2,313 1,314 1.134,315 2.136,316 1,317 1.934,318 1,319 3.247,320 1.549,321 0.504,322 0.627,323 1.225,324 0.515,325 16.895,326 0.497,327 0.86,328 0.025,329 42.5,330 1.25,331 22,332 0.647,333 20.5,334 0.603,335 34.616,336 1.018,337 35.905,338 0.579,339 33.302,340 0.979,341 7.806,342 0.23,343 8.591,344 0.253,345 0.154,346 0.03,347 0.255,349 0.517,350 1.137,351 0.604,352 0.926,353 0.509,354 0.911,355 0.527,356 1.283,357 0.659,358 0.994,359 0.527,360 0.984,361 0.895,362 1.218,363 0.866,364 1.047,365 0.862,366 0.99,367 1.477,368 0.911,369 0.902,370 0.832,371 1.463,372 0.879,373 1.098,374 0.945,375 0.868,376 1.332,377 0.886,378 1.152,379 1.064,380 0.771,381 1.026,382 1.528,383 1.079,384 0.833,385 1.004,386 0.789,387 0.983,388 1.045,389 1.027,390 0.663,391 0.938,392 0.791,393 0.909,394 0.681,395 0.94,396 6.5,397 0.218,398 4.444,399 3.396,400 2.661,401 1.518,402 0.807,403 0.756,404 0.359,405 0.262,406 16918,407 46579,408 2.052,409 45.2,410 15,411 13,415 1.762,416 1.915,417 3.625,418 -0.817,419 93.948,420 1.515,421 3.076,422 3.896,423 4.647,424 4.845,425 4.845,426 3.08,427 3.922,428 5.047,429 3.862,430 2166.42,431 8.871,432 33364.7,433 369.16,434 1.533,435 5.01,436 0.176,437 0.007,438 0.085,439 0.061,440 0.052,441 0.028,442 0.016,443 0.017,444 0.009,445 0.008,446 0.459,447 0.33,448 0.75,449 0.556,450 182.637,451 0.051,452 -0.013,453 0.023,454 -0.006,455 -0.014,456 0.01,457 0.148,458 -0.194,459 0.053,460 -0.068,461 0.049,462 -0.046,463 0.08,464 -0.175,465 0.013,466 -0.104,467 0.062,468 -0.04,469 -0.138,470 0.15,471 -0.071,472 0.077,473 -0.001,474 0.037,475 -0.024,476 0.083,477 0.044,478 0.046,479 -0.007,480 0.052,481 -0.069,482 -0.071,483 -0.055,484 -0.089,485 -0.136,486 -0.129,487 0.083,488 -0.055,489 0.078,490 -0.004,491 0.005,492 -0.029,493 0.164,494 -0.007,495 0.193,496 0.094,497 0.128,498 0.086,499 2.376,500 6.683,501 0.676,502 44.263,503 0.998,504 1.115,505 6.308,506 39.794,507 0.698,508 3.638,509 3.97,510 4.263,511 4.522,512 4.787,513 4.844,514 4.949,515 5.075,516 5.106,517 4.99,518 7.79,519 0.653,520 495.48,521 3.638,522 5.187,523 6.047,524 6.938,525 7.83,526 8.738,527 9.648,528 10.569,529 11.492,530 12.422,531 3.2,534 2,536 13,537 5,538 18,540 2,541 62,542 20,543 3,544 37,545 65,546 28,547 18,548 5,549 13,551 4,552 4,553 2,554 1,555 1,556 1,559 6,561 20,562 8,564 2,565 2,567 2,569 28,570 4,571 6,572 2,573 2,574 2,575 3,580 4,583 1,584 2,586 34,587 6,591 2,592 1,596 2,597 3.2,598 2,600 17.75,601 11.352,602 7.514,603 3.992,604 2.061,605 1.269,606 0.968,607 7.849,608 9.725,609 3.892,610 4.437,611 4.951,612 5.427,613 5.932,614 5.97,615 6.267,616 6.605,617 6.798,618 6.846,619 0.889,620 56,621 12.685,622 5.495,623 7.739,624 24.272,625 20.232,626 2.239,627 76.139,629 329.591,630 172.333,631 6.004,632 78.297,633 50.29,636 172.333,637 458.178,638 6.004,639 8.825,640 21.211,641 123.191,642 59.699,643 15.7,645 329.591,646 78.297,647 329.591,648 178.337,649 50.29,650 78.297,651 329.591,652 50.29,654 30.036,655 148.301,656 78.297,658 329.591,659 56.293,660 250.63,661 329.591,662 40.317,663 138.02,665 128.587,666 329.591,667 56.293,668 250.63,669 0.581,670 0.343,671 0.181,672 0.106,673 24,674 11,675 0.138,676 9,677 4.433,678 317.773,679 23,680 140.974,682 24.625,683 10.837,684 5.446,685 56.293,686 24.345,687 3.678,688 636.515,689 48,690 27.366,692 -0.446,693 61.876,694 69.116,695 0.254,696 0.517,697 0.654,698 0.781,699 5.139,700 1.642,701 6.057,702 4.956,703 4.654,704 5.124,705 2.641,706 6.94,707 4.591,708 6.338,709 1.546,710 7.668,711 4.552,712 4.369,713 4.856,714 2.179,715 8.25,716 4.238,717 7.65,718 1.444,719 9.407,720 3.594,721 6.337,722 7.221,723 3.76,724 11.405,725 6.232,726 9.002,727 1.056,728 11.23,729 3.111,730 6.948,731 7.736,732 3.84,733 13.644,734 6.82,735 10.394,736 1,737 13.114,738 2.322,739 8.423,740 9.597,741 5.063,742 16.443,743 8.306,744 11.815,745 4.301} {0 CHEMBL191919,1 0.809,2 0.809,3 0.565,4 1.746,5 10,6 6.732,7 45.313,8 118.871,9 10.913,10 0.545,11 3.91,12 3.985,13 3.799,14 3.613,15 5.119,16 3.586,17 4.415,18 4.512,19 4.256,20 4.022,21 5.643,22 3.98,23 4.725,24 4.864,25 4.377,26 4.158,27 5.984,28 4.099,29 4.736,30 4.881,31 4.345,32 4.108,33 6.106,34 4.056,35 4.704,36 4.842,37 4.288,38 4.106,39 6.044,40 4.083,41 4.795,42 4.921,43 4.416,44 4.153,45 6.242,46 4.117,47 4.739,48 4.904,49 4.34,50 4.134,51 6.039,52 4.044,53 4.583,54 4.742,55 4.392,56 4.063,57 5.956,58 3.948,59 0.126,60 0.537,61 2.222,62 2.961,63 9.137,64 3.446,65 0.282,66 0.892,67 5.105,68 5.302,69 17.253,70 6.111,71 0.635,72 1.196,73 23.501,74 8.752,75 55.199,76 9.111,77 0.811,78 1.225,79 30.135,80 8.993,81 89.399,82 8.457,83 0.567,84 1.175,85 17.286,86 8.43,87 52.41,88 8.869,89 0.871,90 1.214,91 19.566,92 9.42,93 98.865,94 9.057,95 0.745,96 1.155,97 22.934,98 10.094,99 100.213,100 11.027,101 0.677,102 0.917,103 23.54,104 8.962,105 72.162,106 10.906,107 37,108 48,109 0.298,110 0.525,111 0.62,112 0.729,113 0.753,114 0.753,115 3.441,116 0.954,117 -6.75,118 -6.56,119 -6.08,120 50,122 1,123 1,128 11,129 1,130 6,132 2,133 8,134 8,135 17,136 2,137 12,138 15,139 12,140 10,142 14,143 13,145 18,146 17,148 2,149 14,150 6,151 22,153 18,154 1452,155 19.861,156 19.861,157 19.861,158 19.861,159 19.861,160 17.318,161 22.532,162 11.387,163 20.472,164 16.223,165 16.223,166 16.223,167 16.223,168 16.223,169 12.445,170 27.628,171 5.408,172 17.408,173 3.714,174 2.383,175 1.828,176 1.19,177 1.045,178 1.045,179 4.131,180 4,182 1,183 644,184 2.646,185 84.603,186 299.584,187 1.467,188 41.071,189 0.75,190 0.67,191 0.83,192 0.3,194 0.83,195 1,196 0.63,197 64.333,198 300,199 4.568,200 4.142,201 7.186,202 4.381,203 3.407,204 3.927,205 2.166,206 12.592,207 3.317,208 4.23,209 3.394,210 6.161,211 3.806,212 2.865,213 3.858,214 1.722,215 9.028,216 2.683,217 4.027,218 3.259,219 6.008,220 3.596,221 2.641,222 3.624,223 0.215,224 8.374,225 2.516,226 3.927,227 3.006,228 5.918,229 3.523,230 2.56,231 3.39,232 0.109,233 8.088,234 2.443,235 3.526,236 2.933,237 5.135,238 3.143,239 2.243,240 2.809,242 6.163,243 1.951,244 3.518,245 2.791,246 5.098,247 3.09,248 2.18,249 2.79,251 6.084,252 1.947,253 3.408,254 2.724,255 4.953,256 2.948,257 2.064,258 2.68,259 5.767,260 1.74,261 3.123,262 2.388,263 4.816,264 2.647,265 1.642,266 2.243,267 4.827,268 1.572,269 2.851,270 2.091,271 4.555,272 2.393,273 1.484,274 1.979,275 4.19,276 1.27,277 2.533,278 1.547,279 4.157,280 2.235,281 1.278,282 1.538,283 3.602,284 1.182,285 2.5,286 1.456,287 3.414,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 1.912,302 1,303 3.338,304 1.508,305 0.514,306 0.639,307 1.281,308 0.474,309 1.4,310 0.79,311 3.102,312 0.982,313 0.077,314 0.095,315 0.182,316 0.06,317 1.357,318 0.752,319 2.664,320 0.91,321 -0.032,322 -0.041,323 -0.075,324 -0.026,325 15.324,326 0.511,327 0.912,328 0.03,329 41,330 1.367,331 22,332 0.733,333 19,334 0.633,335 26.5,336 0.883,337 30.276,338 0.688,339 32.507,340 1.084,341 7.998,342 0.267,343 6.348,344 0.212,345 0.23,347 0.378,349 0.527,350 1.048,351 0.465,352 0.703,353 0.517,354 0.712,355 0.584,356 1.341,357 0.567,358 0.855,359 0.568,360 0.885,361 1.1,362 1.16,363 0.989,364 1.004,365 1.075,366 1,367 1.28,368 0.992,369 0.975,370 0.949,371 1.229,372 0.973,373 1.023,374 1.079,375 0.909,376 1.292,377 0.886,378 1.152,379 1.066,380 0.71,381 1.04,382 1.658,383 1.04,384 0.984,385 0.872,386 0.729,387 0.812,388 1.242,389 0.904,390 0.438,391 0.86,392 0.864,393 0.991,394 0.374,395 0.966,396 6.5,397 0.264,398 4,399 3.049,400 2.643,401 1.459,402 0.945,403 0.874,404 0.343,405 0.265,406 10466,407 42355,408 2.048,409 31.8,410 2,411 11,413 1,415 1.737,416 1.875,417 3.266,418 -0.726,419 76.805,420 1.746,421 3.076,422 3.632,423 4.269,424 4.414,425 4.414,426 2.714,427 3.974,428 4.873,429 3.44,430 1496.57,431 8.555,432 20069.2,433 240.215,434 1.522,435 4.816,436 0.197,437 0.013,438 0.083,439 0.06,440 0.055,441 0.028,442 0.019,443 0.02,444 0.009,445 0.009,446 0.492,447 0.33,448 0.75,449 0.628,450 150.865,451 0.017,452 -0.006,453 0.004,454 -0.009,455 -0.038,456 0.001,457 0.07,458 -0.28,459 0.015,460 -0.094,461 0.014,462 -0.107,463 -0.137,464 -0.087,465 -0.138,466 -0.09,467 -0.118,468 -0.094,469 -0.189,470 0.111,471 -0.135,472 -0.016,473 -0.028,474 -0.062,475 -0.072,476 -0.034,477 0.019,478 -0.029,479 -0.044,480 0.014,481 -0.005,482 -0.059,483 -0.017,484 -0.121,485 -0.109,486 -0.139,487 -0.009,488 0.094,489 0.103,490 0.196,491 -0.073,492 0.14,493 0.387,494 0.039,495 0.198,496 0.049,497 0.332,498 0.126,499 2.268,500 6.37,501 0.767,502 28.427,503 1.028,504 1.103,505 5.52,506 30.476,507 0.783,508 3.526,509 3.892,510 4.19,511 4.489,512 4.771,513 4.86,514 5.011,515 5.204,516 5.263,517 5.263,518 6.091,519 0.75,520 480.18,521 3.526,522 5.094,523 5.964,524 6.866,525 7.761,526 8.672,527 9.579,528 10.497,529 11.412,530 12.334,531 4.5,534 2,536 11,537 7,538 18,540 4,541 44,542 20,543 3,544 33,545 47,546 22,547 18,548 7,549 11,551 4,552 4,553 4,558 1,559 1,561 20,562 2,563 1,564 2,565 2,567 2,569 14,570 4,571 8,572 4,573 2,574 2,575 3,580 4,584 4,586 30,587 1,590 1,591 2,596 4,597 4.5,598 2,600 16,601 8.055,602 6.472,603 2.543,604 2.262,605 1.299,606 0.999,607 6.162,608 9.831,609 3.807,610 4.413,611 4.94,612 5.466,613 6.003,614 6.102,615 6.383,616 6.794,617 7.046,618 7.261,619 0.857,620 51,621 11.13,622 4.945,623 7.976,624 20.575,625 17.158,626 2.476,627 74.278,629 164.795,630 138.884,631 6.004,632 156.595,633 50.29,636 138.884,637 371.68,638 6.004,640 8.538,641 104.239,642 59.699,643 22.701,645 164.795,646 156.595,647 164.795,648 144.888,649 50.29,650 156.595,651 164.795,652 50.29,654 8.538,655 136.35,656 156.595,658 164.795,659 56.293,660 295.479,661 164.795,662 34.645,663 110.242,665 206.884,666 164.795,667 56.293,668 295.479,669 0.595,670 0.35,671 0.188,672 0.112,673 24,674 12,675 0.085,676 4,677 3.937,678 282.365,679 23,680 119.207,682 21.315,683 8.673,684 4.286,685 56.293,686 18.413,687 3.666,688 516.567,689 44,690 26.74,692 -0.716,693 45.222,694 48.513,695 0.32,696 0.563,697 0.665,698 0.782,699 5.066,700 1.642,701 5.979,702 5.767,703 4.575,704 5.1,705 2.641,706 6.838,707 4.452,708 6.287,709 1.484,710 7.573,711 4.827,712 4.29,713 4.924,714 2.179,715 7.847,716 4.027,717 7.603,718 1.278,719 9.267,720 4.19,721 6.217,722 7.242,723 3.76,724 10.996,725 6.014,726 8.949,727 1,728 11.019,729 3.602,730 6.723,731 7.786,732 3.84,733 12.879,734 6.427,735 10.323,736 1,737 12.811,738 2.275,739 8.165,740 9.626,741 5.063,742 15.592,743 7.904,744 11.716,745 4.538} {0 CHEMBL193276,1 0.787,2 0.787,3 0.544,4 1.797,5 10.806,6 5.073,7 25.731,8 114.865,9 9.941,10 0.529,11 3.953,12 4.033,13 3.756,14 3.604,15 5.217,16 3.598,17 4.455,18 4.559,19 4.185,20 3.992,21 5.749,22 3.978,23 4.769,24 4.917,25 4.289,26 4.102,27 6.121,28 4.085,29 4.763,30 4.911,31 4.191,32 4.04,33 6.209,34 4.038,35 4.745,36 4.88,37 4.255,38 4.073,39 6.277,40 4.075,41 4.801,42 4.943,43 4.276,44 4.14,45 6.244,46 4.109,47 4.829,48 5.001,49 4.319,50 4.11,51 6.233,52 4.062,53 4.662,54 4.831,55 4.196,56 3.962,57 6.086,58 3.907,59 0.15,60 0.654,61 4.074,62 3.656,63 18.338,64 3.879,65 0.326,66 1.076,67 8.321,68 6.219,69 34.376,70 6.692,71 0.764,72 1.426,73 23.275,74 9.247,75 96.282,76 9.175,77 0.883,78 1.383,79 23.233,80 8.802,81 127.605,82 7.86,83 0.848,84 1.286,85 17.672,86 8.726,87 130.238,88 8.971,89 0.782,90 1.348,91 19.241,92 9.971,93 128.064,94 10.496,95 0.907,96 1.38,97 26.363,98 10.915,99 135.818,100 11.465,101 0.832,102 1.15,103 26.052,104 9.453,105 124.788,106 9.785,107 37,108 49,109 0.303,110 0.544,111 0.649,112 0.733,113 0.733,114 0.733,115 3.473,116 0.89,117 -5.79,118 -5.65,119 -5.27,120 50,122 1,123 1,128 12,129 1,130 5,131 1,132 2,133 9,134 10,135 13,136 2,137 15,138 13,139 10,140 8,141 4,142 14,143 14,145 14,146 12,148 14,149 10,150 6,151 18,153 20,154 1598,155 20.568,156 20.568,157 20.568,158 20.568,159 20.568,160 17.986,161 22.304,162 11.837,163 20.964,164 16.706,165 16.706,166 16.706,167 16.706,168 16.706,169 12.81,170 27.957,171 5.616,172 17.455,173 3.726,174 2.295,175 1.674,176 1.174,177 1.174,178 1.174,179 4.162,180 2,181 1,182 1,183 719,184 3.082,185 90.917,186 320.472,187 1.58,188 54.142,189 0.75,190 0.67,191 1,192 0.4,194 1,195 1,196 0.69,197 68.167,198 335,199 4.567,200 4.146,201 7.186,202 4.382,203 3.406,204 3.907,205 2.166,206 12.591,207 3.32,208 4.182,209 3.591,210 6.134,211 3.839,212 2.827,213 3.755,214 1.722,215 8.897,216 2.858,217 4.027,218 3.394,219 6.008,220 3.596,221 2.641,222 3.624,223 1.277,224 8.374,225 2.516,226 3.93,227 3.004,228 5.916,229 3.538,230 2.563,231 3.396,232 0.215,233 8.1,234 2.497,235 3.659,236 2.933,237 5.135,238 3.239,239 2.299,240 3.01,241 0.109,242 6.169,243 2.149,244 3.518,245 2.884,246 5.098,247 3.097,248 2.18,249 2.79,251 6.084,252 1.947,253 3.471,254 2.77,255 5.017,256 3.09,257 2.171,258 2.717,259 5.983,260 1.929,261 3.123,262 2.388,263 4.816,264 2.647,265 1.642,266 2.243,267 4.827,268 1.572,269 2.846,270 1.981,271 4.567,272 2.44,273 1.457,274 1.901,275 4.284,276 1.404,277 2.5,278 1.745,279 4.104,280 2.162,281 1.167,282 1.5,283 3.278,284 1.129,285 2.5,286 1.457,287 3.414,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.49,302 1,303 3.414,304 2,305 1,306 1.457,307 2.275,308 1,309 1.802,310 1,311 3.144,312 1.332,313 0.259,314 0.346,315 0.633,316 0.268,317 1.4,318 0.79,319 3.102,320 0.982,321 0.077,322 0.095,323 0.182,324 0.06,325 15.014,326 0.484,327 0.912,328 0.029,329 43,330 1.387,331 23.5,332 0.758,333 19.5,334 0.629,335 24.849,336 0.802,337 31.786,338 0.691,339 36.571,340 1.18,341 8.642,342 0.279,343 6.204,344 0.2,345 0.181,347 0.386,348 1,349 0.519,350 0.945,351 0.493,352 0.806,353 0.514,354 0.772,355 0.588,356 1.197,357 0.606,358 0.983,359 0.584,360 0.96,361 1.109,362 1.061,363 1.008,364 0.99,365 1.073,366 0.983,367 1.297,368 0.899,369 1.016,370 0.916,371 1.237,372 0.953,373 0.799,374 0.789,375 0.873,376 0.973,377 0.893,378 0.839,379 0.921,380 0.669,381 1.022,382 1.006,383 1.057,384 1.009,385 0.848,386 0.819,387 0.895,388 1.094,389 0.935,390 1.089,391 0.81,392 1.032,393 0.874,394 1.111,395 0.894,396 6.5,397 0.206,398 4.222,399 2.986,400 2.572,401 1.549,402 0.931,403 0.91,404 0.444,405 0.198,406 11733,407 45401,408 2.046,409 32.6,411 12,413 3,415 1.744,416 1.879,417 3.374,418 -0.735,419 82.684,420 1.797,421 3.229,422 3.849,423 4.35,424 4.35,425 4.35,426 2.861,427 3.833,428 4.919,429 3.537,430 1644.74,431 8.642,432 22711.4,433 254.084,434 1.514,435 4.866,436 0.191,437 0.009,438 0.086,439 0.057,440 0.052,441 0.029,442 0.018,443 0.019,444 0.011,445 0.006,446 0.48,447 0.33,448 0.88,449 0.618,450 158.377,451 0.011,452 -0.011,453 0.011,454 -0.01,455 -0.03,456 0.003,457 0.05,458 -0.245,459 0.011,460 -0.153,461 0.002,462 -0.139,463 -0.149,464 -0.064,465 -0.131,466 -0.068,467 -0.127,468 -0.069,469 -0.247,470 0.065,471 -0.217,472 -0.015,473 -0.12,474 -0.065,475 0.107,476 0.036,477 0.054,478 0.006,479 0.099,480 0.011,481 0.03,482 -0.098,483 0.03,484 -0.097,485 -0.002,486 -0.098,487 -0.045,488 0.009,489 0.122,490 0.099,491 -0.061,492 0.101,493 -0.067,494 0.06,495 0.081,496 0.157,497 -0.061,498 0.157,499 2.552,500 6.265,501 0.742,502 31.276,503 1.031,504 1.112,505 4.56,506 20.792,507 0.742,508 3.555,509 3.912,510 4.205,511 4.489,512 4.771,513 4.852,514 4.99,515 5.142,516 5.22,517 5.198,518 6.416,519 0.727,520 457.3,521 3.555,522 5.118,523 5.984,524 6.88,525 7.772,526 8.677,527 9.582,528 10.495,529 11.407,530 12.325,531 4.3,534 2,536 12,537 6,538 18,539 1,540 3,541 46,542 21,543 3,544 34,545 49,546 23,547 18,548 6,549 12,550 1,551 4,552 4,553 2,558 1,559 1,561 21,562 2,563 1,564 3,565 3,567 3,568 1,569 15,570 6,571 8,572 2,573 2,574 3,575 3,580 4,584 2,585 1,586 31,587 1,590 1,591 2,596 3,597 6.5,598 3,600 16.5,601 8.412,602 6.722,603 2.66,604 2.189,605 1.289,606 0.995,607 5.99,608 9.766,609 3.85,610 4.437,611 4.961,612 5.473,613 6.007,614 6.097,615 6.373,616 6.69,617 6.959,618 7.142,619 1,620 52,621 11.601,622 5.252,623 8.179,624 21.027,625 17.461,626 2.679,627 83.056,628 1,629 176.567,630 155.614,631 6.004,632 78.297,633 75.435,634 14.96,636 155.614,637 330.299,638 20.964,640 8.538,641 113.715,642 89.978,643 24.821,644 14.96,645 176.567,646 78.297,647 176.567,648 161.617,649 90.395,650 78.297,651 191.527,652 75.435,654 8.538,655 153.079,656 78.297,658 191.527,659 81.438,660 233.911,661 176.567,662 41.899,663 119.719,665 168.692,666 176.567,667 96.398,668 233.911,669 0.593,670 0.348,671 0.184,672 0.111,673 24,674 12,675 0.102,676 5,677 4.047,678 291.922,679 23,680 121.58,682 21.353,683 8.697,684 4.294,685 96.398,686 17.833,687 1.548,688 506.876,689 46,690 39.21,692 -1.517,693 47.414,694 51.174,695 0.325,696 0.585,697 0.697,698 0.787,699 5.103,700 1.642,701 5.994,702 5.983,703 4.595,704 5.124,705 2.85,706 6.845,707 4.524,708 6.319,709 1.457,710 7.583,711 4.827,712 4.29,713 4.913,714 2.179,715 7.847,716 4.138,717 7.629,718 1.167,719 9.273,720 4.284,721 6.229,722 7.245,723 3.877,724 10.991,725 6.106,726 8.969,727 1,728 11.022,729 3.278,730 6.723,731 7.76,732 3.84,733 12.875,734 6.551,735 10.338,736 1,737 12.812,738 2.275,739 8.169,740 9.607,741 5.116,742 15.584,743 8.01,744 11.727,745 5.284} {0 CHEMBL194333,1 0.809,2 0.809,3 0.628,4 1.699,5 9.345,6 6.067,7 36.81,8 114.066,9 10.13,10 0.563,11 3.903,12 3.986,13 3.733,14 3.59,15 5.098,16 3.563,17 4.407,18 4.514,19 4.171,20 3.991,21 5.605,22 3.949,23 4.714,24 4.866,25 4.296,26 4.121,27 5.945,28 4.064,29 4.726,30 4.883,31 4.182,32 4.07,33 6.059,34 4.021,35 4.701,36 4.843,37 4.248,38 4.091,39 6.035,40 4.069,41 4.788,42 4.923,43 4.375,44 4.129,45 6.224,46 4.096,47 4.73,48 4.905,49 4.259,50 4.1,51 6.021,52 4.01,53 4.566,54 4.744,55 4.196,56 4.031,57 5.802,58 3.9,59 0.092,60 0.548,61 3.771,62 3.225,63 7.701,64 3.806,65 0.223,66 0.91,67 7.851,68 5.644,69 15.961,70 6.659,71 0.517,72 1.219,73 23.627,74 8.843,75 47.875,76 9.689,77 0.673,78 1.237,79 28.245,80 8.971,81 83.642,82 8.961,83 0.476,84 1.183,85 19.309,86 8.555,87 49.235,88 9.161,89 0.763,90 1.232,91 20.904,92 9.474,93 93.495,94 9.475,95 0.635,96 1.17,97 24.014,98 10.095,99 91.125,100 11.307,101 0.476,102 0.949,103 23.888,104 9.071,105 59.223,106 11.119,107 26,108 46,109 0.29,110 0.512,111 0.616,112 0.732,113 0.753,114 0.753,115 3.409,116 0.939,117 -6.55,118 -6.37,119 -5.91,120 50,122 1,123 1,128 12,129 1,130 5,132 2,133 10,134 8,135 16,136 2,137 12,138 16,139 12,140 9,142 14,143 13,145 18,146 16,148 6,149 14,150 2,151 22,153 22,154 1336,155 19.413,156 19.413,157 19.413,158 19.413,159 19.413,160 16.896,161 20.93,162 11.254,163 19.888,164 15.74,165 15.74,166 15.74,167 15.74,168 15.74,169 12.035,170 26.346,171 5.336,172 16.662,173 3.761,174 2.461,175 1.85,176 1.173,177 1.045,178 1.045,179 4.101,180 3,182 1,183 583,184 2.55,185 80.426,186 286.262,187 1.391,188 37.147,189 0.75,190 0.83,191 0.83,192 0.3,194 0.83,195 1,196 0.65,197 62,198 271,199 4.568,200 4.142,201 7.186,202 4.381,203 3.407,204 3.912,205 2.166,206 12.592,207 3.316,208 4.166,209 3.394,210 6.146,211 3.768,212 2.816,213 3.771,214 1.722,215 8.958,216 2.67,217 4.027,218 3.194,219 6.008,220 3.596,221 2.641,222 3.624,223 0.215,224 8.374,225 2.516,226 3.918,227 3,228 5.894,229 3.503,230 2.54,231 3.383,232 0.109,233 7.987,234 2.428,235 3.518,236 2.933,237 5.135,238 3.119,239 2.211,240 2.79,242 6.141,243 1.947,244 3.486,245 2.773,246 5.094,247 3.09,248 2.18,249 2.728,251 6.084,252 1.936,253 3.123,254 2.388,255 4.816,256 2.647,257 1.642,258 2.243,259 4.827,260 1.572,261 2.917,262 2.097,263 4.564,264 2.507,265 1.534,266 2.085,267 4.282,268 1.482,269 2.847,270 1.622,271 4.179,272 2.347,273 1.414,274 1.979,275 3.599,276 1.244,277 2.513,278 1.458,279 3.605,280 2.216,281 1.25,282 1.514,283 2.968,284 1.173,285 2.5,286 1.406,287 3.414,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 1.863,302 1,303 3.263,304 1.441,305 0.412,306 0.529,307 1.023,308 0.404,309 1.4,310 0.79,311 3.102,312 0.982,313 0.077,314 0.095,315 0.182,316 0.06,317 1.208,318 0.537,319 2.551,320 0.781,321 -0.137,322 -0.171,323 -0.304,324 -0.101,325 14.61,326 0.504,327 0.806,328 0.028,329 40.25,330 1.388,331 22,332 0.759,333 18.25,334 0.629,335 24.173,336 0.834,337 29.19,338 0.663,339 31.6,340 1.09,341 7.925,342 0.273,343 6.027,344 0.208,345 0.192,347 0.363,349 0.52,350 1.049,351 0.48,352 0.747,353 0.512,354 0.744,355 0.57,356 1.34,357 0.587,358 0.909,359 0.574,360 0.923,361 1.073,362 1.154,363 0.948,364 0.98,365 1.05,366 0.968,367 1.382,368 0.983,369 1.103,370 0.978,371 1.272,372 0.974,373 1.099,374 1.069,375 0.938,376 1.339,377 0.889,378 1.165,379 1.053,380 0.662,381 1.004,382 1.672,383 0.989,384 0.991,385 0.872,386 0.724,387 0.82,388 1.231,389 0.9,390 0.645,391 0.831,392 0.941,393 0.908,394 0.531,395 0.963,396 5.5,397 0.198,398 3.778,399 2.861,400 2.452,401 1.404,402 0.867,403 0.782,404 0.279,405 0.185,406 9539,407 34928,408 2.07,409 34.1,410 2,411 12,413 1,415 1.729,416 1.912,417 3.189,418 -0.751,419 74.749,420 1.699,421 2.998,422 3.61,423 4.286,424 4.414,425 4.414,426 2.558,427 3.702,428 4.825,429 3.369,430 1367.84,431 8.461,432 17920.4,433 240.215,434 1.487,435 4.777,436 0.172,437 0.012,438 0.082,439 0.058,440 0.053,441 0.028,442 0.017,443 0.019,444 0.008,445 0.007,446 0.456,447 0.33,448 0.88,449 0.605,450 143.861,451 0.025,452 -0.007,453 0.008,454 -0.01,455 -0.038,456 0.003,457 0.09,458 -0.282,459 0.012,460 -0.119,461 0.002,462 -0.124,463 -0.087,464 -0.086,465 -0.088,466 -0.064,467 -0.086,468 -0.06,469 -0.229,470 0.109,471 -0.228,472 -0.05,473 -0.039,474 -0.071,475 -0.071,476 -0.037,477 0.002,478 -0.055,479 -0.039,480 -0.002,481 0.053,482 -0.053,483 0.043,484 -0.088,485 -0.063,486 -0.093,487 0.016,488 0.087,489 0.123,490 0.178,491 -0.034,492 0.122,493 0.145,494 0.07,495 0.13,496 0.134,497 0.152,498 0.117,499 2.221,500 6.329,501 0.793,502 26.899,503 1.02,504 1.104,505 5.316,506 28.261,507 0.763,508 3.497,509 3.85,510 4.159,511 4.454,512 4.736,513 4.82,514 4.984,515 5.159,516 5.22,517 5.176,518 5.871,519 0.731,520 445.74,521 3.497,522 5.056,523 5.927,524 6.825,525 7.722,526 8.631,527 9.54,528 10.456,529 11.373,530 12.295,531 4.5,534 2,536 12,537 6,538 18,540 3,541 44,542 20,543 3,544 32,545 47,546 22,547 18,548 6,549 12,551 4,552 4,553 3,558 1,559 1,561 20,562 2,563 1,564 2,565 2,567 2,569 15,570 4,571 7,572 3,573 2,574 2,575 3,580 4,584 3,586 29,587 1,590 1,591 2,596 3,597 4.5,598 2,600 15.167,601 7.995,602 6.306,603 2.562,604 2.259,605 1.302,606 1.001,607 5.724,608 9.75,609 3.784,610 4.376,611 4.907,612 5.428,613 5.96,614 6.04,615 6.36,616 6.748,617 7.022,618 7.212,619 0.714,620 49,621 10.767,622 4.767,623 7.931,624 20.014,625 16.681,626 2.431,627 70.5,629 176.567,630 144.86,631 6.004,632 117.446,633 50.29,636 144.86,637 344.302,638 6.004,640 8.538,641 113.715,642 59.699,643 19.201,645 176.567,646 117.446,647 176.567,648 150.863,649 50.29,650 117.446,651 176.567,652 50.29,654 8.538,655 142.325,656 117.446,658 176.567,659 56.293,660 262.306,661 176.567,662 31.145,663 119.719,665 167.736,666 176.567,667 56.293,668 262.306,669 0.59,670 0.351,671 0.189,672 0.113,673 23,674 11,675 0.085,676 4,677 3.879,678 269.723,679 23,680 112.881,682 20.081,683 8.267,684 3.951,685 56.293,686 20.724,687 3.439,688 495.166,689 43,690 26.658,692 -0.653,693 44.898,694 48.569,695 0.311,696 0.549,697 0.661,698 0.785,699 5.034,700 1.534,701 5.932,702 4.827,703 4.533,704 5.063,705 2.641,706 6.79,707 4.433,708 6.246,709 1.414,710 7.523,711 4.282,712 4.205,713 4.82,714 2.179,715 7.803,716 3.983,717 7.555,718 1.25,719 9.218,720 3.599,721 6.168,722 7.189,723 3.76,724 10.962,725 5.995,726 8.896,727 1,728 10.973,729 2.968,730 6.661,731 7.69,732 3.84,733 12.86,734 6.403,735 10.267,736 1,737 12.77,738 2.275,739 8.121,740 9.562,741 5.063,742 15.575,743 7.889,744 11.659,745 4.301} {0 CHEMBL195098,1 0.796,2 0.796,3 0.653,4 1.772,5 11.688,6 5.529,7 30.568,8 119.466,9 9.619,10 0.514,11 4.007,12 4.092,13 3.783,14 3.651,15 5.245,16 3.639,17 4.518,18 4.632,19 4.205,20 4.04,21 5.778,22 4.017,23 4.837,24 4.999,25 4.307,26 4.152,27 6.149,28 4.123,29 4.832,30 4.991,31 4.196,32 4.096,33 6.219,34 4.076,35 4.824,36 4.978,37 4.214,38 4.121,39 6.166,40 4.106,41 4.868,42 5.017,43 4.297,44 4.179,45 6.385,46 4.132,47 4.867,48 5.053,49 4.3,50 4.173,51 6.154,52 4.091,53 4.796,54 4.999,55 4.225,56 4.038,57 6.129,58 3.961,59 0.135,60 0.696,61 5.131,62 4.052,63 16.5,64 4.45,65 0.308,66 1.15,67 10.695,68 6.957,69 31.667,70 7.814,71 0.746,72 1.517,73 26.951,74 10.23,75 91.932,76 10.798,77 0.873,78 1.473,79 26.368,80 9.703,81 128.808,82 9.334,83 0.74,84 1.4,85 21.327,86 9.618,87 102.088,88 9.614,89 0.977,90 1.426,91 22.806,92 10.853,93 168.38,94 11.981,95 0.737,96 1.439,97 28.506,98 12.003,99 112.684,100 13.999,101 0.815,102 1.322,103 32.354,104 11.234,105 111.097,106 12.885,107 37,108 50,109 0.295,110 0.553,111 0.667,112 0.745,113 0.745,114 0.745,115 3.503,116 0.907,117 -5.99,118 -5.84,119 -5.44,120 49,122 2,123 1,128 12,129 1,130 5,131 1,132 2,133 10,134 10,135 14,136 2,137 15,138 13,139 15,140 9,142 10,143 16,144 4,145 10,146 18,148 10,149 10,150 14,151 10,152 4,153 18,154 1826,155 21.275,156 21.275,157 21.275,158 21.275,159 21.275,160 18.693,161 23.674,162 12.28,163 21.671,164 17.189,165 17.189,166 17.189,167 17.189,168 17.189,169 13.283,170 29.496,171 5.811,172 17.936,173 3.842,174 2.294,175 1.613,176 1.143,177 1.143,178 1.143,179 4.193,180 2,181 1,182 1,183 803,184 3.24,185 95.95,186 338.876,187 1.664,188 53.849,189 0.75,190 0.67,191 1,192 0.4,193 0.5,194 1,195 1,196 0.76,197 70.167,198 374,199 4.562,200 4.138,201 7.184,202 4.377,203 3.402,204 3.902,205 2.166,206 12.58,207 3.311,208 4.179,209 3.599,210 6.053,211 3.83,212 2.815,213 3.756,214 1.722,215 8.612,216 2.857,217 4.027,218 3.394,219 6.008,220 3.596,221 2.641,222 3.624,223 1.277,224 8.374,225 2.52,226 3.935,227 3.008,228 5.995,229 3.56,230 2.583,231 3.395,232 0.215,233 8.345,234 2.516,235 3.658,236 2.933,237 5.135,238 3.243,239 2.293,240 3.012,241 0.109,242 6.153,243 2.165,244 3.518,245 2.884,246 5.096,247 3.129,248 2.215,249 2.79,251 6.084,252 1.951,253 3.491,254 2.776,255 5.021,256 3.09,257 2.18,258 2.731,259 6.014,260 1.947,261 3.123,262 2.388,263 4.816,264 2.647,265 1.642,266 2.243,267 4.827,268 1.572,269 2.873,270 1.982,271 4.562,272 2.514,273 1.529,274 1.936,275 4.263,276 1.483,277 2.575,278 1.831,279 4.16,280 2.261,281 1.28,282 1.568,283 3.628,284 1.22,285 2.5,286 1.457,287 3.414,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.5,302 1,303 3.414,304 2,305 1,306 1.5,307 2.275,308 1,309 2.027,310 1,311 3.371,312 1.68,313 0.637,314 0.783,315 1.525,316 0.651,317 1.4,318 0.992,319 3.102,320 0.982,321 0.077,322 0.095,323 0.182,324 0.06,325 15.514,326 0.485,327 0.912,328 0.028,329 43.5,330 1.359,331 23.5,332 0.734,333 20,334 0.625,335 26.725,336 0.835,337 33.086,338 0.675,339 36.72,340 1.147,341 8.642,342 0.27,343 6.704,344 0.21,345 0.175,347 0.374,348 1,349 0.515,350 0.964,351 0.506,352 0.829,353 0.508,354 0.796,355 0.577,356 1.203,357 0.615,358 0.999,359 0.57,360 0.976,361 1.073,362 1.049,363 0.974,364 0.975,365 1.035,366 0.962,367 1.266,368 0.908,369 1.011,370 0.928,371 1.219,372 0.979,373 1.067,374 0.802,375 0.878,376 1.216,377 0.931,378 0.713,379 0.862,380 0.675,381 0.986,382 0.921,383 1.059,384 0.741,385 0.926,386 0.772,387 0.998,388 0.82,389 1.023,390 0.902,391 0.835,392 0.924,393 0.909,394 0.872,395 0.902,396 6.5,397 0.168,398 4.444,399 3.111,400 2.412,401 1.469,402 0.829,403 0.82,404 0.547,405 0.289,406 13300,407 49962,408 2.045,409 34.7,410 2,411 12,413 3,415 1.751,416 1.882,417 3.477,418 -0.743,419 86.84,420 1.772,421 3.321,422 4.002,423 4.472,424 4.472,425 4.472,426 2.91,427 4,428 4.965,429 3.65,430 1810.54,431 8.723,432 25968.3,433 275.121,434 1.505,435 4.914,436 0.186,437 0.006,438 0.089,439 0.059,440 0.049,441 0.029,442 0.016,443 0.018,444 0.013,445 0.008,446 0.473,447 0.33,448 0.75,449 0.609,450 166.464,451 0.014,452 -0.012,453 0.013,454 -0.009,455 -0.025,456 0.005,457 0.059,458 -0.242,459 0.019,460 -0.147,461 0.013,462 -0.127,463 -0.118,464 -0.058,465 -0.088,466 -0.045,467 -0.096,468 -0.031,469 -0.223,470 0.052,471 -0.205,472 -0.022,473 -0.115,474 -0.079,475 -0.146,476 0.039,477 -0.037,478 0.004,479 -0.137,480 -0.022,481 0.204,482 -0.029,483 0.036,484 -0.057,485 0.152,486 -0.103,487 0.07,488 -0.082,489 0.158,490 0.001,491 0.019,492 0.037,493 0.023,494 0.027,495 0.169,496 0.12,497 0.044,498 0.182,499 2.37,500 6.289,501 0.719,502 34.504,503 1.026,504 1.114,505 4.763,506 22.683,507 0.732,508 3.584,509 3.932,510 4.22,511 4.489,512 4.754,513 4.836,514 4.949,515 5.081,516 5.165,517 5.153,518 6.858,519 0.714,520 471.33,521 3.584,522 5.142,523 6.004,524 6.895,525 7.781,526 8.682,527 9.58,528 10.488,529 11.395,530 12.308,531 4.1,534 2,536 12,537 6,538 18,539 1,540 3,541 49,542 21,543 3,544 35,545 52,546 24,547 18,548 6,549 12,550 1,551 4,552 4,553 2,558 1,559 2,561 21,562 3,563 1,564 3,565 3,567 3,568 1,569 17,570 6,571 8,572 2,573 2,574 3,575 3,580 4,584 2,585 1,586 32,587 2,590 1,591 2,596 3,597 6.1,598 3,600 17,601 8.912,602 6.972,603 2.91,604 2.163,605 1.284,606 0.991,607 6.495,608 9.781,609 3.871,610 4.449,611 4.968,612 5.469,613 5.985,614 6.082,615 6.326,616 6.611,617 6.848,618 7.02,619 0.875,620 53,621 11.965,622 5.368,623 8.142,624 21.844,625 18.128,626 2.642,627 84.556,629 200.109,630 158.148,631 6.004,632 78.297,633 75.435,634 14.96,636 158.148,637 353.841,638 20.964,640 11.073,641 113.715,642 89.978,643 24.821,644 14.96,645 200.109,646 78.297,647 200.109,648 164.152,649 90.395,650 78.297,651 215.069,652 75.435,654 11.073,655 153.079,656 78.297,658 215.069,659 81.438,660 236.445,661 200.109,662 44.433,663 119.719,665 168.692,666 200.109,667 96.398,668 236.445,669 0.591,670 0.347,671 0.181,672 0.107,673 24,674 12,675 0.115,676 6,677 4.173,678 299.828,679 23,680 125.245,682 22.316,683 9.313,684 4.671,685 96.398,686 18.232,687 1.802,688 532.953,689 47,690 39.081,692 -1.16,693 50.298,694 54.589,695 0.316,696 0.591,697 0.713,698 0.796,699 5.121,700 1.642,701 6.009,702 6.014,703 4.615,704 5.136,705 2.85,706 6.851,707 4.545,708 6.331,709 1.529,710 7.593,711 4.827,712 4.29,713 4.913,714 2.179,715 7.847,716 4.138,717 7.638,718 1.28,719 9.279,720 4.263,721 6.24,722 7.25,723 3.877,724 10.984,725 6.12,726 8.976,727 1,728 11.025,729 3.628,730 6.723,731 7.76,732 3.84,733 12.869,734 6.551,735 10.343,736 1,737 12.812,738 2.275,739 8.173,740 9.608,741 5.116,742 15.573,743 8.015,744 11.73,745 4.745} {0 CHEMBL195201,1 0.832,2 0.832,3 0.594,4 1.589,5 12.611,6 6.304,7 39.735,8 142.857,9 9.025,10 0.45,11 4.145,12 4.237,13 3.882,14 3.826,15 5.334,16 3.796,17 4.662,18 4.781,19 4.305,20 4.248,21 5.796,22 4.2,23 4.999,24 5.165,25 4.438,26 4.417,27 6.183,28 4.353,29 5.057,30 5.241,31 4.366,32 4.395,33 6.347,34 4.334,35 5.04,36 5.224,37 4.375,38 4.377,39 6.317,40 4.326,41 5.03,42 5.207,43 4.33,44 4.342,45 6.292,46 4.274,47 4.938,48 5.128,49 4.323,50 4.295,51 6.13,52 4.194,53 4.843,54 5.043,55 4.264,56 4.254,57 5.973,58 4.134,59 0.051,60 0.717,61 7.407,62 4.536,63 11.125,64 5.561,65 0.156,66 1.205,67 14.525,68 7.941,69 22.579,70 9.878,71 0.393,72 1.69,73 30.508,74 12.024,75 54.041,76 14.471,77 0.542,78 1.838,79 33.5,80 12.529,81 99.128,82 14.561,83 0.406,84 1.773,85 29.303,86 12.591,87 72.225,88 15.103,89 0.538,90 1.687,91 30.439,92 12.7,93 99.303,94 14.276,95 0.525,96 1.492,97 31.787,98 12.613,99 97.562,100 15.077,101 0.373,102 1.354,103 31.444,104 12.012,105 74.236,106 15.533,107 27,108 58,109 0.254,110 0.544,111 0.672,112 0.759,113 0.776,114 0.776,115 3.616,116 0.916,117 -6.73,118 -6.55,119 -6.07,120 50.9,122 2,123 1,124 1,127 4,128 12,129 2,130 4,132 3,133 19,134 9,135 27,136 2,137 15,138 26,139 16,140 17,142 21,143 22,145 15,146 23,148 7,149 23,150 7,151 25,152 8,153 19,154 2500,155 24.43,156 24.43,157 24.43,158 24.43,159 24.43,160 21.549,161 28.69,162 14.002,163 24.8,164 19.573,165 19.573,166 19.573,167 19.573,168 19.573,169 15.178,170 32.825,171 6.48,172 20.274,173 4.243,174 2.432,175 1.632,176 1.088,177 0.982,178 0.982,179 4.319,180 2,183 991,184 3.24,185 108.35,186 512.94,187 1.877,188 41.858,189 0.5,190 0.67,191 0.67,192 0.4,193 0.5,194 0.67,195 1,196 0.63,197 76.167,198 454,199 4.654,200 4.48,201 7.634,202 4.485,203 3.487,204 3.982,205 2.825,206 13.918,207 3.481,208 4.565,209 4.141,210 7.186,211 4.38,212 3.405,213 3.902,214 2.166,215 12.59,216 3.315,217 4.027,218 3.447,219 6.056,220 3.643,221 2.656,222 3.624,223 1.722,224 8.585,225 2.618,226 3.979,227 3.394,228 6.008,229 3.596,230 2.641,231 3.433,232 0.487,233 8.374,234 2.516,235 3.843,236 3.019,237 5.376,238 3.409,239 2.436,240 3.29,241 0.215,242 6.905,243 2.378,244 3.518,245 2.933,246 5.135,247 3.108,248 2.184,249 2.79,250 0.109,251 6.119,252 1.948,253 3.486,254 2.811,255 5.098,256 3.09,257 2.18,258 2.729,259 6.084,260 1.947,261 3.296,262 2.656,263 4.994,264 2.809,265 1.812,266 2.478,267 5.272,268 1.794,269 3.274,270 2.388,271 4.816,272 2.647,273 1.642,274 2.243,275 4.827,276 1.572,277 3.123,278 2.038,279 4.535,280 2.491,281 1.498,282 2.1,283 4.042,284 1.485,285 2.734,286 1.714,287 3.787,288 2.254,289 1.292,290 1.533,291 3.183,292 1.206,293 2.544,294 1.542,295 3.732,296 2,297 1,298 1.5,299 2.275,300 1,301 2.5,302 1.456,303 3.414,304 2,305 1,306 1.5,307 2.275,308 1,309 2.5,310 1.261,311 3.414,312 2,313 1,314 1.5,315 2.275,316 1,317 2.5,318 1,319 3.414,320 2,321 1,322 1.357,323 2.23,324 1,325 17.795,326 0.494,327 0.929,328 0.026,329 50.25,330 1.396,331 28,332 0.778,333 22.25,334 0.618,335 31.217,336 0.867,337 35.605,338 0.625,339 42.951,340 1.193,341 9.769,342 0.271,343 7.646,344 0.212,345 0.14,346 0.028,347 0.298,349 0.509,350 1.001,351 0.534,352 0.809,353 0.484,354 0.787,355 0.533,356 1.207,357 0.641,358 0.958,359 0.531,360 0.949,361 0.973,362 1.129,363 0.932,364 1.025,365 0.918,366 1.004,367 1.183,368 1.035,369 0.913,370 0.96,371 1.152,372 0.979,373 1.003,374 1.05,375 0.952,376 1.236,377 0.934,378 1.392,379 0.986,380 0.78,381 0.961,382 1.651,383 1.01,384 1.022,385 0.893,386 0.845,387 0.92,388 1.107,389 0.966,390 0.532,391 0.918,392 0.918,393 1.006,394 0.564,395 0.996,396 7.5,397 0.407,398 4.889,399 3.361,400 2.674,401 1.751,402 1.049,403 0.796,404 0.412,405 0.443,406 19205,407 59716,408 2.096,409 36.8,410 4,411 16,413 1,415 1.778,416 1.955,417 3.576,418 -0.799,419 90.6,420 1.589,421 3.401,422 4.201,423 4.745,424 4.85,425 4.85,426 3.006,427 4.059,428 5.139,429 3.794,430 2390.4,431 9.054,432 37393,433 332.475,434 1.548,435 5.093,436 0.188,437 0.011,438 0.084,439 0.053,440 0.044,441 0.028,442 0.019,443 0.016,444 0.009,445 0.01,446 0.461,447 0.17,448 0.63,449 0.683,450 194.904,451 0.039,452 0.009,453 0.019,454 0.004,455 -0.004,456 0.016,457 0.116,458 -0.192,459 0.007,460 -0.107,461 -0.006,462 -0.102,463 -0.019,464 -0.101,465 -0.078,466 -0.099,467 -0.048,468 -0.081,469 -0.105,470 0.031,471 -0.118,472 -0.036,474 -0.052,475 -0.003,476 -0.026,477 0.055,478 -0.029,479 -0.013,480 0.012,481 -0.137,482 0.002,483 -0.035,484 -0.01,485 -0.184,486 -0.063,487 0.047,488 0.04,489 0.103,490 0.092,491 -0.023,492 0.052,493 0.201,494 -0.005,495 0.14,496 0.03,497 0.103,498 0.066,499 2.232,500 6.613,501 0.806,502 41.605,503 1.008,504 1.104,505 5.501,506 30.257,507 0.741,508 3.714,509 4.078,510 4.407,511 4.691,512 4.956,513 5.037,514 5.209,515 5.361,516 5.468,517 5.533,518 7.547,519 0.709,520 514.43,521 3.714,522 5.283,523 6.163,524 7.069,525 7.97,526 8.883,527 9.793,528 10.711,529 11.626,530 12.547,531 5.3,534 2,535 1,536 12,537 6,538 18,540 2,541 57,542 23,543 3,544 40,545 61,546 29,547 18,548 6,549 12,550 4,551 5,552 5,553 2,555 1,556 1,557 1,558 1,559 2,560 1,561 24,562 4,563 1,564 4,565 2,566 4,567 2,569 21,570 5,571 7,572 2,573 3,574 2,575 4,576 1,577 4,580 5,584 2,586 36,587 2,590 1,591 2,592 1,593 1,594 1,595 1,596 2,597 3.5,598 2,600 18.417,601 10.386,602 7.903,603 3.403,604 2.748,605 1.336,606 0.992,607 6.62,608 10.928,609 4.025,610 4.58,611 5.14,612 5.672,613 6.204,614 6.361,615 6.742,616 7.079,617 7.346,618 7.595,619 1,620 64,621 13.386,622 5.964,623 7.879,624 25.101,625 21.251,626 2.379,627 85.639,629 247.193,630 201.586,631 37.063,632 78.297,633 50.29,636 201.586,637 375.78,638 37.063,640 11.073,641 151.62,642 76.301,643 49.945,645 247.193,646 78.297,647 247.193,648 238.649,649 50.29,650 78.297,651 247.193,652 50.29,654 42.132,655 158.612,656 116.202,658 247.193,659 87.353,660 279.883,661 247.193,662 33.364,663 157.624,664 16.602,665 159.646,666 247.193,667 87.353,668 279.883,669 0.589,670 0.361,671 0.196,672 0.111,673 29,674 13,675 0.082,676 5,677 4.491,678 363.442,679 29,680 151.362,682 24.187,683 9.854,684 4.562,685 87.353,686 21.143,687 3.86,688 614.429,689 55,690 27.225,691 7.692,692 -0.648,693 57.443,694 62.954,695 0.273,696 0.583,697 0.72,698 0.814,699 5.296,700 1.812,701 6.184,702 6.084,703 4.762,704 5.268,705 3.389,706 7.083,707 4.704,708 6.519,709 1.642,710 7.804,711 5.272,712 4.511,713 4.997,714 2.56,715 8.377,716 4.398,717 7.84,718 1.498,719 9.539,720 4.827,721 6.469,722 7.388,723 5.043,724 11.483,725 6.374,726 9.196,727 1.292,728 11.347,729 4.042,730 7.074,731 7.9,732 4.604,733 13.659,734 6.954,735 10.584,736 1,737 13.207,738 3.183,739 8.534,740 9.764,741 6.906,742 16.381,743 8.42,744 11.998,745 4.921} {0 CHEMBL195732,1 0.8,2 0.8,3 0.636,4 1.648,5 11.774,6 5.137,7 26.387,8 120.458,9 8.929,10 0.529,11 4.037,12 4.129,13 3.76,14 3.658,15 5.186,16 3.635,17 4.56,18 4.686,19 4.151,20 4.04,21 5.696,22 4,23 4.836,24 5.008,25 4.239,26 4.147,27 5.994,28 4.092,29 4.86,30 5.047,31 4.143,32 4.078,33 6.103,34 4.037,35 4.83,36 4.996,37 4.175,38 4.094,39 6.127,40 4.063,41 4.841,42 5.007,43 4.164,44 4.172,45 6.025,46 4.095,47 4.908,48 5.108,49 4.229,50 4.162,51 6.091,52 4.057,53 4.791,54 5.009,55 4.154,56 4.013,57 5.958,58 3.907,59 0.075,60 0.663,61 7.248,62 4.411,63 8.528,64 5.256,65 0.285,66 1.092,67 15.347,68 7.536,69 24.684,70 8.862,71 0.502,72 1.396,73 29.2,74 10.403,75 49.597,76 12.256,77 0.653,78 1.426,79 31.309,80 10.385,81 87.204,82 11.76,83 0.825,84 1.361,85 25.305,86 9.822,87 82.728,88 11.098,89 0.447,90 1.339,91 24.991,92 11.069,93 66.07,94 13.064,95 0.614,96 1.405,97 32.898,98 12.435,99 93.941,100 14.942,101 0.551,102 1.217,103 34.411,104 11.659,105 70.62,106 14.438,107 17,108 47,109 0.274,110 0.526,111 0.653,112 0.744,113 0.753,114 0.753,115 3.472,116 0.936,117 -5.96,118 -5.82,119 -5.41,120 47.1,122 1,123 1,125 2,128 13,129 1,130 4,132 2,133 11,134 10,135 14,136 2,137 15,138 11,139 10,140 5,141 4,142 11,143 15,145 6,146 16,148 10,149 9,150 14,151 7,152 8,153 8,154 1723,155 21.035,156 21.035,157 21.035,158 21.035,159 21.035,160 18.57,161 24.872,162 12.541,163 21.534,164 16.762,165 16.762,166 16.762,167 16.762,168 16.762,169 13.123,170 33.081,171 5.974,172 17.641,173 4.024,174 2.507,175 1.742,176 1.191,177 1.137,178 1.137,179 4.167,180 2,181 1,182 1,183 788,184 3,185 92.46,186 329.787,187 1.746,188 37.057,189 0.75,190 0.67,191 1,192 0.6,193 0.5,194 1,195 1,196 0.79,197 66.667,198 365,199 4.561,200 4.137,201 7.184,202 4.376,203 3.402,204 3.902,205 2.166,206 12.58,207 3.309,208 4.027,209 3.394,210 6.022,211 3.596,212 2.641,213 3.624,214 1.722,215 8.387,216 2.526,217 3.936,218 3.009,219 6.008,220 3.567,221 2.591,222 3.444,223 1.151,224 8.374,225 2.516,226 3.896,227 2.933,228 5.34,229 3.507,230 2.519,231 3.394,232 0.215,233 6.965,234 2.489,235 3.518,236 2.844,237 5.135,238 3.143,239 2.237,240 2.79,241 0.109,242 6.15,243 1.961,244 3.498,245 2.775,246 5.096,247 3.09,248 2.18,249 2.734,251 6.084,252 1.947,253 3.123,254 2.388,255 4.816,256 2.647,257 1.664,258 2.243,259 4.827,260 1.572,261 2.956,262 2.159,263 4.56,264 2.596,265 1.642,266 2.118,267 4.226,268 1.544,269 2.706,270 1.75,271 3.769,272 2.424,273 1.446,274 1.726,275 3.328,276 1.386,277 2.5,278 1.468,279 3.559,280 2.136,281 1.204,282 1.5,283 2.79,284 1.095,285 2.5,286 1.455,287 3.414,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.385,302 1,303 3.247,304 2,305 1,306 1.364,307 2.136,308 1,309 1.877,310 1,311 3.136,312 1.541,313 0.566,314 0.658,315 1.319,316 0.538,317 1.4,318 0.79,319 3.102,320 0.982,321 0.077,322 0.095,323 0.182,324 0.06,325 15.229,326 0.491,327 0.716,328 0.023,329 41.5,330 1.339,331 22,332 0.71,333 19.5,334 0.629,335 25.785,336 0.832,337 32.171,338 0.631,339 32.929,340 1.062,341 8.322,342 0.268,343 6.72,344 0.217,345 0.138,347 0.315,349 0.598,350 1.136,351 0.539,352 0.892,353 0.529,354 0.843,355 0.836,356 1.29,357 0.683,358 0.948,359 0.643,360 0.956,361 1.093,362 1.17,363 0.961,364 1.018,365 1.048,366 0.986,367 1.353,368 1.009,369 0.922,370 0.908,371 1.21,372 0.899,373 1.143,374 0.844,375 0.808,376 1.488,377 0.867,378 1,379 1.105,380 0.73,381 1.069,382 1.448,383 1.098,384 0.961,385 1.001,386 0.816,387 0.98,388 1.202,389 1.012,390 0.866,391 0.985,392 0.869,393 0.963,394 0.603,395 0.902,396 5,397 0.185,398 3.333,399 2.799,400 2.261,401 1.185,402 0.651,403 0.669,404 0.362,405 0.269,406 12857,407 40886,408 2.084,409 39.2,411 17,413 1,414 2,415 1.741,416 1.958,417 3.487,418 -0.767,419 84.061,420 1.648,421 3.165,422 3.93,423 4.481,424 4.535,425 4.535,426 2.922,427 3.833,428 4.916,429 3.686,430 1714.12,431 8.62,432 24394.5,433 289.294,434 1.383,435 4.888,436 0.147,437 0.007,438 0.071,439 0.057,440 0.049,441 0.025,442 0.014,443 0.016,444 0.01,445 0.009,446 0.405,447 0.33,448 0.88,449 0.541,450 160.613,451 0.022,452 -0.05,453 0.021,454 -0.038,455 -0.034,456 -0.006,457 0.008,458 -0.216,459 -0.007,460 -0.07,461 -0.029,462 -0.092,463 -0.064,464 -0.115,465 -0.068,466 -0.09,467 -0.06,468 -0.064,469 -0.145,470 0.055,471 -0.084,472 0.01,473 0.035,474 0.017,475 0.096,476 0.202,477 0.004,478 0.084,479 0.007,480 0.023,481 -0.043,482 -0.143,483 -0.025,484 -0.13,485 -0.141,486 -0.148,487 0.039,488 -0.056,489 0.105,490 0.011,491 -0.013,492 -0.002,493 0.135,494 -0.07,495 0.221,496 0.073,497 0.224,498 0.157,499 2.165,500 6.265,501 0.742,502 35.567,503 1.013,504 1.111,505 4.733,506 22.4,507 0.72,508 3.555,509 3.871,510 4.159,511 4.443,512 4.691,513 4.736,514 4.875,515 5.004,516 5.043,517 5.004,518 6.992,519 0.688,520 455.36,521 3.555,522 5.094,523 5.948,524 6.83,525 7.71,526 8.605,527 9.501,528 10.406,529 11.311,530 12.223,531 3.9,534 2,536 13,537 5,538 18,540 2,541 51,542 20,543 3,544 34,545 54,546 24,547 18,548 5,549 13,551 4,552 4,553 2,558 1,559 1,561 20,562 4,563 1,564 2,565 2,567 2,569 20,570 5,571 7,572 2,573 2,574 3,575 3,579 1,580 4,584 2,586 31,587 3,588 1,590 1,591 2,596 2,597 5.9,598 2,599 1,600 15.833,601 9.102,602 6.861,603 2.992,604 2.137,605 1.283,606 0.984,607 6.809,608 9.679,609 3.829,610 4.376,611 4.885,612 5.395,613 5.897,614 5.912,615 6.221,616 6.553,617 6.75,618 6.863,619 0.875,620 49,621 11.523,622 5,623 7.862,624 21.621,625 17.738,626 2.362,627 73.222,628 1,629 235.422,630 160.02,631 6.004,632 78.297,633 61.29,636 160.02,637 375.009,638 6.004,640 17.723,641 123.191,642 70.699,643 15.7,645 235.422,646 78.297,647 235.422,648 166.024,649 61.29,650 78.297,651 211.88,652 73.832,653 11,654 17.723,655 148.301,656 78.297,658 235.422,659 67.293,660 238.317,661 235.422,662 36.829,663 129.195,665 139.587,666 235.422,667 67.293,668 238.317,669 0.578,670 0.339,671 0.186,672 0.108,673 22,674 10,675 0.13,676 7,677 4.211,678 281.376,679 23,680 118.825,682 21.69,683 9.731,684 4.872,685 67.293,686 23.354,687 3.254,688 541.033,689 45,690 26.53,692 -0.601,693 51.669,694 56.665,695 0.291,696 0.558,697 0.693,698 0.79,699 5.059,700 1.642,701 5.927,702 4.827,703 4.554,704 5.063,705 2.814,706 6.751,707 4.466,708 6.244,709 1.446,710 7.492,711 4.226,712 4.111,713 4.705,714 2.179,715 7.719,716 3.937,717 7.533,718 1.204,719 9.164,720 3.328,721 6.146,722 7.14,723 3.839,724 10.885,725 5.994,726 8.855,727 1,728 10.904,729 2.79,730 6.567,731 7.55,732 3.84,733 12.787,734 6.36,735 10.21,736 1,737 12.69,738 2.275,739 8.064,740 9.47,741 5.092,742 15.506,743 7.862,744 11.589,745 4.959} {0 CHEMBL362995,1 0.816,2 0.816,3 0.624,4 1.843,5 10.758,6 5.695,7 32.433,8 119.582,9 9.986,10 0.5,11 4.016,12 4.097,13 3.816,14 3.65,15 5.305,16 3.649,17 4.53,18 4.64,19 4.273,20 4.051,21 5.85,22 4.05,23 4.858,24 4.992,25 4.429,26 4.191,27 6.27,28 4.195,29 4.959,30 5.12,31 4.371,32 4.147,33 6.563,34 4.165,35 4.864,36 4.992,37 4.368,38 4.194,39 6.408,40 4.203,41 4.947,42 5.076,43 4.43,44 4.312,45 6.395,46 4.281,47 5.091,48 5.285,49 4.475,50 4.297,51 6.577,52 4.233,53 4.879,54 5.09,55 4.346,56 4.098,57 6.233,58 4.029,59 0.202,60 0.773,61 4.255,62 4.088,63 26.958,64 4.199,65 0.434,66 1.272,67 9.911,68 7.026,69 56.321,70 7.472,71 0.885,72 1.7,73 22.343,74 10.072,75 123.073,76 9.682,77 1.526,78 1.88,79 30.004,80 10.628,81 244.232,82 9.131,83 1.119,84 1.569,85 19.212,86 9.856,87 190.316,88 9.26,89 0.923,90 1.715,91 18.16,92 11.492,93 152.962,94 11.742,95 1.55,96 1.975,97 35.674,98 14.684,99 239.538,100 16.347,101 1.08,102 1.462,103 34.253,104 12.417,105 167.852,106 14.361,107 65,108 54,109 0.307,110 0.574,111 0.681,112 0.763,113 0.763,114 0.763,115 3.533,116 0.88,117 -6.09,118 -5.94,119 -5.52,120 49,121 1,122 1,124 1,128 11,129 1,130 6,131 1,132 2,133 8,134 10,135 13,136 2,137 18,138 11,139 11,140 8,141 4,142 14,143 19,145 10,146 18,148 14,149 10,150 6,151 16,153 16,154 1900,155 21.463,156 21.463,157 21.463,158 21.463,159 21.463,160 18.856,161 24.789,162 12.098,163 21.913,164 17.643,165 17.643,166 17.643,167 17.643,168 17.643,169 13.695,170 31.264,171 5.691,172 18.497,173 3.771,174 2.173,175 1.527,176 1.036,177 1.036,178 1.036,179 4.216,180 2,182 1,183 757,184 3.536,185 96.862,186 343.926,187 1.612,188 68.338,189 0.75,190 0.67,191 1,192 0.4,193 0.5,194 1,195 1,196 0.76,197 73.667,198 355,199 4.825,200 4.401,201 7.944,202 4.703,203 3.709,204 4.078,205 2.166,206 14.957,207 3.684,208 4.344,209 3.642,210 6.702,211 3.984,212 2.998,213 3.969,214 1.722,215 10.699,216 2.953,217 4.103,218 3.394,219 6.387,220 3.814,221 2.845,222 3.624,223 1.277,224 9.618,225 2.748,226 4.027,227 3.106,228 6.094,229 3.596,230 2.641,231 3.587,232 0.215,233 8.442,234 2.516,235 3.681,236 3.024,237 5.294,238 3.264,239 2.341,240 3.016,241 0.109,242 6.333,243 2.179,244 3.585,245 2.933,246 5.189,247 3.184,248 2.244,249 2.866,251 6.193,252 2.02,253 3.518,254 2.837,255 5.117,256 3.09,257 2.18,258 2.79,259 6.127,260 1.947,261 3.123,262 2.616,263 4.91,264 2.683,265 1.734,266 2.27,267 4.956,268 1.606,269 3.114,270 2.388,271 4.739,272 2.647,273 1.642,274 2.243,275 4.792,276 1.572,277 2.8,278 2.209,279 4.581,280 2.429,281 1.472,282 1.863,283 4.323,284 1.362,285 2.633,286 1.566,287 4.028,288 2.168,289 1.163,290 1.631,291 3.011,292 1.156,293 2.5,294 1.457,295 3.561,296 2,297 1,298 1.5,299 2.275,300 1,301 2.5,302 1,303 3.414,304 2,305 1,306 1.5,307 2.275,308 1,309 2,310 1,311 3.414,312 1.511,313 0.44,314 0.601,315 1.129,316 0.456,317 1.4,318 0.79,319 3.387,320 0.982,321 0.077,322 0.095,323 0.183,324 0.06,325 15.8,326 0.479,327 1.145,328 0.035,329 44.25,330 1.341,331 23.5,332 0.712,333 20.75,334 0.629,335 29.801,336 0.903,337 34.6,338 0.706,339 40.488,340 1.227,341 8.831,342 0.268,343 6.782,344 0.206,345 0.222,346 0.032,347 0.367,348 2,349 0.521,350 0.907,351 0.494,352 0.829,353 0.524,354 0.79,355 0.588,356 1.074,357 0.555,358 0.91,359 0.581,360 0.861,361 1.043,362 1.155,363 0.977,364 1.105,365 1.018,366 1.054,367 1.209,368 0.766,369 0.968,370 0.788,371 1.149,372 0.857,373 0.929,374 0.746,375 0.826,376 1.09,377 0.893,378 0.748,379 0.962,380 0.701,381 1.138,382 0.879,383 1.202,384 0.771,385 0.808,386 0.778,387 0.939,388 0.864,389 1.034,390 0.791,391 0.759,392 0.778,393 0.784,394 0.804,395 0.802,396 8.5,397 0.223,398 5.556,399 4.271,400 3.163,401 1.938,402 1.109,403 1.128,404 0.543,405 0.278,406 13155,407 53585,408 2.001,409 32.7,410 3,411 11,413 2,415 1.761,416 1.808,417 3.356,418 -0.721,419 90.327,420 1.843,421 3.442,422 4.088,423 4.579,424 4.579,425 4.579,426 2.854,427 4.196,428 5.011,429 3.53,430 1863.86,431 8.831,432 26458.6,433 275.121,434 1.71,435 4.933,436 0.236,437 0.008,438 0.103,439 0.071,440 0.055,441 0.032,442 0.018,443 0.021,444 0.012,445 0.008,446 0.565,447 0.33,448 0.75,449 0.648,450 170.881,451 0.006,452 -0.013,453 0.01,454 -0.009,455 -0.032,456 0.004,457 0.041,458 -0.168,459 0.071,460 -0.058,461 0.014,462 -0.011,463 -0.136,464 -0.187,465 -0.146,466 -0.2,467 -0.116,468 -0.171,469 -0.132,470 0.177,471 -0.156,472 0.114,473 0.005,474 0.043,475 -0.02,476 0.094,477 -0.039,478 0.047,479 -0.03,480 -0.014,481 0.012,482 -0.165,483 -0.057,484 -0.239,485 -0.029,486 -0.27,487 0.136,488 0.066,489 0.145,490 0.058,491 0.075,492 0.05,493 0.046,494 -0.024,495 0.328,496 0.254,497 0.04,498 0.357,499 3.086,500 6.578,501 0.697,502 33.113,503 1.037,504 1.121,505 4.863,506 23.648,507 0.731,508 3.611,509 4.007,510 4.317,511 4.605,512 4.875,513 4.984,514 5.088,515 5.263,516 5.338,517 5.288,518 6.423,519 0.721,520 489.32,521 3.611,522 5.198,523 6.08,524 6.999,525 7.907,526 8.835,527 9.757,528 10.692,529 11.623,530 12.564,531 4.1,534 2,536 11,537 7,538 18,539 1,540 4,541 49,542 21,543 3,544 36,545 52,546 24,547 18,548 7,549 11,550 1,551 4,552 4,553 2,554 1,555 1,556 1,559 1,561 21,562 3,564 3,565 3,567 3,568 2,569 16,570 7,571 9,572 2,573 2,574 3,575 3,580 4,583 1,584 2,585 2,586 33,587 1,591 2,592 1,596 4,597 6.1,598 3,600 18.25,601 9.388,602 7.069,603 2.813,604 2.196,605 1.286,606 0.979,607 6.172,608 9.887,609 3.892,610 4.505,611 5.048,612 5.555,613 6.066,614 6.2,615 6.448,616 6.799,617 7.052,618 7.205,619 1,620 60,621 12.476,622 5.832,623 8.307,624 22.184,625 18.534,626 2.807,627 92.639,629 188.338,630 164.084,631 6.004,632 78.297,633 75.435,634 29.92,636 164.084,637 342.07,638 35.924,639 8.825,640 8.538,641 104.239,642 89.978,643 33.942,644 29.92,645 188.338,646 78.297,647 188.338,648 170.087,649 105.355,650 78.297,651 218.258,652 75.435,654 17.363,655 152.724,656 78.297,658 218.258,659 81.438,660 242.381,661 188.338,662 51.02,663 119.068,665 183.652,666 188.338,667 111.359,668 242.381,669 0.603,670 0.361,671 0.189,672 0.109,673 27,674 14,675 0.096,676 5,677 4.062,678 326.372,679 23,680 130.465,682 23.218,683 8.772,684 4.211,685 111.359,686 14.985,687 -0.759,688 542.077,689 48,690 40.022,692 -2.16,693 50.811,694 54.929,695 0.328,696 0.613,697 0.728,698 0.816,699 5.173,700 1.734,701 6.133,702 6.127,703 4.691,704 5.193,705 2.85,706 7.059,707 4.615,708 6.42,709 1.642,710 7.779,711 4.956,712 4.575,713 5.121,714 2.179,715 8.378,716 4.441,717 7.763,718 1.472,719 9.538,720 4.792,721 6.431,722 7.363,723 3.877,724 11.528,725 6.316,726 9.139,727 1.163,728 11.368,729 4.323,730 7.116,731 8.014,732 3.84,733 13.73,734 6.985,735 10.548,736 1,737 13.249,738 3.011,739 8.541,740 9.796,741 5.116,742 16.525,743 8.419,744 11.98,745 4.301} {0 CHEMBL363203,1 0.894,2 0.914,3 0.658,4 1.832,5 11.545,6 6.619,7 43.805,8 121.72,9 9.634,10 0.5,11 4.055,12 4.14,13 3.827,14 3.655,15 5.297,16 3.655,17 4.583,18 4.701,19 4.258,20 4.033,21 5.855,22 4.032,23 4.877,24 5.029,25 4.384,26 4.148,27 6.221,28 4.145,29 4.917,30 5.083,31 4.31,32 4.118,33 6.38,34 4.119,35 4.923,36 5.083,37 4.291,38 4.195,39 6.19,40 4.174,41 5.022,42 5.191,43 4.349,44 4.286,45 6.306,46 4.231,47 5.044,48 5.239,49 4.409,50 4.295,51 6.352,52 4.209,53 4.932,54 5.139,55 4.378,56 4.197,57 6.21,58 4.113,59 0.195,60 0.807,61 5.457,62 4.482,63 19.714,64 4.716,65 0.502,66 1.313,67 12.876,68 7.58,69 40.955,70 7.94,71 0.999,72 1.691,73 26.92,74 10.362,75 104.215,76 10.38,77 1.355,78 1.818,79 29.448,80 10.328,81 169.361,82 9.875,83 1.048,84 1.635,85 23.874,86 10.982,87 111.899,88 11.505,89 1.101,90 1.682,91 28.706,92 13.097,93 141.55,94 14.587,95 1.31,96 1.755,97 36.467,98 14.252,99 165.278,100 16.586,101 0.988,102 1.61,103 37.236,104 13.136,105 109.52,106 15.775,107 50,108 52,109 0.304,110 0.591,111 0.724,112 0.816,113 0.842,114 0.861,115 3.532,116 0.896,117 -6.16,118 -6.01,119 -5.58,120 47.1,121 1,123 1,125 1,126 1,128 11,129 1,130 6,131 1,132 1,133 7,134 9,135 11,136 3,137 14,138 9,139 11,140 4,141 1,142 14,143 13,144 1,145 9,146 14,147 1,148 8,149 11,150 9,151 14,152 4,153 14,154 2076,155 21.775,156 21.775,157 21.775,158 21.775,159 21.775,160 19.246,161 25.686,162 12.487,163 22.344,164 17.673,165 17.673,166 17.673,167 17.673,168 17.673,169 13.9,170 32.968,171 5.892,172 18.752,173 3.84,174 2.113,175 1.31,176 0.76,177 0.603,178 0.485,179 4.22,180 2,182 1,183 814,184 3.317,185 98.781,186 338.325,187 1.559,188 58.29,189 0.75,190 0.67,191 1,192 0.6,193 0.5,194 1,195 1,196 0.79,197 73.667,198 381,199 4.522,200 3.969,201 7.191,202 4.359,203 3.404,204 3.986,205 1.907,206 12.627,207 3.249,208 4.346,209 3.67,210 6.399,211 3.969,212 2.981,213 3.852,214 1.588,215 9.686,216 2.944,217 4.024,218 3.141,219 6.05,220 3.596,221 2.646,222 3.621,223 0.921,224 8.532,225 2.511,226 3.906,227 3.044,228 5.935,229 3.53,230 2.568,231 3.317,232 0.301,233 8.019,234 2.467,235 3.668,236 2.953,237 5.206,238 3.268,239 2.309,240 3.013,241 0.149,242 6.325,243 2.196,244 3.497,245 2.893,246 5.151,247 3.108,248 2.205,249 2.765,251 6.174,252 1.927,253 3.451,254 2.673,255 5.083,256 3.09,257 2.188,258 2.675,259 6.092,260 1.911,261 3.157,262 2.613,263 4.869,264 2.755,265 1.831,266 2.311,267 5.214,268 1.649,269 3.007,270 2.336,271 4.643,272 2.618,273 1.667,274 2.069,275 4.64,276 1.534,277 2.682,278 1.676,279 4.513,280 2.26,281 1.303,282 1.72,283 3.937,284 1.214,285 2.514,286 1.564,287 3.923,288 2.22,289 1.238,290 1.516,291 3.151,292 1.199,293 2.5,294 1.491,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.5,302 1.027,303 3.414,304 2,305 1,306 1.5,307 2.275,308 1,309 1.892,310 1,311 3.395,312 1.584,313 0.649,314 0.744,315 1.537,316 0.589,317 1.46,318 1,319 3.044,320 1.064,321 0.103,322 0.129,323 0.239,324 0.088,325 15.8,326 0.479,327 1.001,328 0.03,329 43,330 1.303,331 22,332 0.667,333 21,334 0.636,335 29.837,336 0.904,337 35.2,338 0.69,339 37.645,340 1.141,341 8.714,342 0.264,343 7.043,344 0.213,345 0.2,347 0.399,348 2,349 0.57,350 0.961,351 0.509,352 0.89,353 0.531,354 0.83,355 0.753,356 1.094,357 0.622,358 0.926,359 0.6,360 0.893,361 1.091,362 1.102,363 0.989,364 1.009,365 0.997,366 0.981,367 1.117,368 0.845,369 0.969,370 0.87,371 0.917,372 0.927,373 0.872,374 0.786,375 0.927,376 0.863,377 1.006,378 0.742,379 0.763,380 0.686,381 0.978,382 0.758,383 1.073,384 0.66,385 0.742,386 0.816,387 0.93,388 0.759,389 1.022,390 0.662,391 0.816,392 0.91,393 0.956,394 0.704,395 0.941,396 7,397 0.267,398 4.667,399 3.549,400 2.603,401 1.414,402 0.931,403 0.972,404 0.615,405 0.345,406 13923,407 54748,408 2.026,409 35.3,410 3,411 13,412 1,413 1,415 1.76,416 1.85,417 3.447,418 -0.721,419 93.441,420 1.832,421 3.56,422 4.362,423 4.913,424 5.069,425 5.187,426 2.873,427 4.741,428 5.013,429 3.615,430 1908.47,431 8.824,432 27794.3,433 289.294,434 1.533,435 4.95,436 0.194,437 0.008,438 0.09,439 0.063,440 0.049,441 0.026,442 0.017,443 0.019,444 0.013,445 0.009,446 0.489,447 0.33,448 0.75,449 0.627,450 172.579,451 -0.003,452 -0.04,453 0.015,454 -0.037,455 -0.038,456 -0.008,457 -0.023,458 -0.178,459 0.032,460 -0.054,461 -0.001,462 -0.034,463 -0.114,464 -0.125,465 -0.117,466 -0.095,467 -0.082,468 -0.085,469 -0.074,470 0.125,471 -0.159,472 0.024,473 0.074,474 -0.037,475 -0.029,476 0.049,477 -0.038,478 -0.041,479 -0.051,480 -0.078,481 0.028,482 -0.053,483 0.028,484 -0.053,485 0.006,486 -0.076,487 0.134,488 0.035,489 0.116,490 0.054,491 0.049,492 0.04,493 0.1,494 -0.025,495 0.187,496 0.063,497 0.067,498 0.157,499 2.642,500 6.217,501 0.697,502 33.361,503 1.033,504 1.124,505 4.934,506 24.345,507 0.717,508 3.611,509 3.97,510 4.263,511 4.543,512 4.796,513 4.883,514 4.984,515 5.142,516 5.204,517 5.193,518 6.774,519 0.703,520 491.34,521 3.611,522 5.176,523 6.043,524 6.94,525 7.83,526 8.736,527 9.637,528 10.549,529 11.457,530 12.373,531 3.9,533 1,534 1,536 11,537 7,538 18,539 1,540 4,541 51,542 20,543 3,544 36,545 54,546 24,547 18,548 7,549 11,550 1,551 4,552 4,553 2,554 1,558 1,561 20,562 4,563 1,564 2,565 2,567 2,568 2,569 18,570 7,571 9,572 2,573 2,574 3,575 3,579 1,580 4,583 1,584 2,585 2,586 33,587 1,588 1,590 2,591 2,596 4,597 5.9,598 2,599 1,600 17.833,601 9.555,602 7.167,603 2.955,604 2.18,605 1.283,606 0.98,607 6.89,608 9.87,609 3.871,610 4.46,611 4.982,612 5.483,613 5.988,614 6.096,615 6.299,616 6.613,617 6.836,618 7.009,619 0.875,620 56,621 12.365,622 5.562,623 8.194,624 22.403,625 18.491,626 2.694,627 88.889,629 211.88,630 161.437,631 6.004,632 78.297,633 61.29,634 29.92,636 161.437,637 351.467,638 35.924,639 8.825,640 7.594,641 104.239,642 71.128,643 36.944,644 41.691,645 200.109,646 78.297,647 211.88,648 167.44,649 91.21,650 78.297,651 241.8,652 50.29,653 11,654 16.419,655 151.021,656 78.297,658 241.8,659 67.293,660 239.734,661 211.88,662 48.373,663 119.068,665 169.507,666 211.88,667 97.214,668 239.734,669 0.594,670 0.351,671 0.187,672 0.107,673 25,674 13,675 0.111,676 6,677 4.177,678 316.417,679 23,680 158.465,682 23.494,683 9.678,684 4.835,685 97.214,686 16.167,687 0.113,688 548.827,689 47,690 25.779,692 -0.939,693 52.694,694 57.344,695 0.323,696 0.628,697 0.769,698 0.866,699 5.133,700 1.831,701 6.057,702 6.092,703 4.654,704 5.147,705 2.637,706 6.913,707 4.547,708 6.347,709 1.667,710 7.651,711 5.214,712 4.369,713 4.966,714 1.593,715 7.928,716 4.17,717 7.659,718 1.303,719 9.346,720 4.64,721 6.293,722 7.273,723 3.479,724 11.071,725 6.106,726 9.001,727 1.238,728 11.1,729 3.937,730 6.804,731 7.825,732 3.032,733 12.96,734 6.551,735 10.372,736 1,737 12.893,738 3.151,739 8.241,740 9.655,741 4.5,742 15.666,743 7.986,744 11.763,745 4.301} {0 CHEMBL363799,1 0.779,2 0.779,3 0.657,4 1.855,5 10.907,6 7.059,7 49.827,8 150.099,9 10.318,10 0.511,11 4.243,12 4.316,13 4.062,14 3.878,15 5.589,16 3.891,17 4.754,18 4.849,19 4.514,20 4.277,21 6.153,22 4.292,23 5.101,24 5.23,25 4.681,26 4.421,27 6.56,28 4.446,29 5.194,30 5.334,31 4.701,32 4.4,33 6.911,34 4.446,35 5.177,36 5.296,37 4.718,38 4.477,39 6.814,40 4.514,41 5.256,42 5.368,43 4.851,44 4.633,45 6.824,46 4.647,47 5.452,48 5.605,49 4.982,50 4.706,51 7.09,52 4.71,53 5.386,54 5.544,55 4.934,56 4.65,57 6.949,58 4.652,59 0.352,60 1.059,61 4.131,62 5.126,63 58.391,64 4.808,65 0.693,66 1.748,67 9.043,68 8.724,69 108.363,70 8.387,71 1.458,72 2.361,73 25.569,74 12.946,75 246.016,76 11.427,77 2.23,78 2.63,79 31.797,80 13.512,81 397.894,82 10.932,83 1.916,84 2.229,85 24.795,86 13.311,87 365.253,88 11.614,89 1.629,90 2.516,91 21.274,92 15.072,93 315.802,94 14.355,95 2.61,96 3.111,97 39.644,98 19.277,99 439.882,100 18.897,101 2.264,102 2.739,103 41.661,104 18.536,105 405.811,106 18.298,107 101,108 70,109 0.293,110 0.536,111 0.637,112 0.729,113 0.729,114 0.729,115 3.789,116 0.851,117 -6.56,118 -6.38,119 -5.92,120 50.8,122 2,124 1,128 14,129 2,130 8,131 2,132 2,133 10,134 12,135 17,136 2,137 20,138 14,139 14,140 12,141 8,142 18,143 22,144 1,145 16,146 21,148 28,149 16,150 14,151 29,153 32,154 4344,155 28.1,156 28.1,157 28.1,158 28.1,159 28.1,160 24.573,161 30.315,162 15.9,163 28.634,164 23.051,165 23.051,166 23.051,167 23.051,168 23.051,169 17.725,170 35.73,171 7.476,172 24.072,173 4.076,174 2.535,175 1.89,176 1.311,177 1.311,178 1.311,179 4.48,180 2,183 1000,184 4.243,185 130.417,186 635.49,187 1.508,188 111.882,189 0.5,190 0.67,191 0.67,192 0.2,194 0.67,195 1,196 0.53,197 97.667,198 469,199 4.86,200 4.429,201 8.072,202 4.745,203 3.749,204 4.11,205 2.166,206 15.629,207 3.731,208 4.346,209 3.647,210 6.753,211 4.001,212 3.019,213 3.984,214 1.722,215 10.947,216 2.963,217 4.342,218 3.636,219 6.402,220 3.962,221 2.973,222 3.961,223 1.277,224 9.699,225 2.941,226 4.116,227 3.394,228 6.379,229 3.814,230 2.845,231 3.624,232 1.277,233 9.584,234 2.748,235 4.027,236 3.118,237 6.094,238 3.596,239 2.641,240 3.602,241 0.215,242 8.442,243 2.516,244 3.695,245 3.036,246 5.294,247 3.272,248 2.351,249 3.029,250 0.109,251 6.346,252 2.183,253 3.651,254 3.016,255 5.2,256 3.245,257 2.277,258 3,259 6.308,260 2.176,261 3.571,262 2.933,263 5.175,264 3.168,265 2.226,266 2.859,267 6.173,268 2.016,269 3.518,270 2.837,271 5.114,272 3.09,273 2.18,274 2.79,275 6.127,276 1.947,277 3.123,278 2.616,279 4.91,280 2.684,281 1.737,282 2.274,283 4.956,284 1.61,285 3.116,286 2.615,287 4.773,288 2.682,289 1.732,290 2.266,291 4.844,292 1.604,293 3.111,294 2.388,295 4.676,296 2.647,297 1.642,298 2.243,299 4.695,300 1.572,301 2.814,302 2.234,303 4.565,304 2.43,305 1.473,306 1.888,307 4.269,308 1.365,309 2.672,310 1.567,311 4.064,312 2.197,313 1.197,314 1.707,315 3.086,316 1.188,317 2.606,318 1.566,319 3.976,320 2.142,321 1.134,322 1.583,323 2.946,324 1.128,325 20.205,326 0.47,327 1.438,328 0.033,329 58,330 1.349,331 31,332 0.721,333 27,334 0.628,335 42.071,336 0.978,337 45.195,338 0.741,339 62.076,340 1.444,341 11.837,342 0.275,343 8.569,344 0.199,345 0.193,346 0.025,347 0.386,348 4,349 0.526,350 0.832,351 0.487,352 0.821,353 0.531,354 0.774,355 0.612,356 1.02,357 0.584,358 0.976,359 0.602,360 0.93,361 1.053,362 1.066,363 1.003,364 1.066,365 1.044,366 1.043,367 1.049,368 0.791,369 0.952,370 0.881,371 1.02,372 0.922,373 0.894,374 0.667,375 0.777,376 1.041,377 0.855,378 0.691,379 0.852,380 0.628,381 1.045,382 0.783,383 1.063,384 0.815,385 0.765,386 0.761,387 0.908,388 0.891,389 0.974,390 0.883,391 0.768,392 0.77,393 0.804,394 0.927,395 0.83,396 11,397 0.503,398 6.889,399 5.458,400 4.101,401 2.64,402 1.69,403 1.865,404 1.169,405 0.719,406 25598,407 108802,408 2.012,409 29.5,411 14,413 4,415 1.831,416 1.823,417 3.36,418 -0.717,419 113.136,420 1.855,421 3.396,422 4.041,423 4.619,424 4.619,425 4.619,426 2.816,427 4.263,428 5.393,429 3.599,430 3250.34,431 9.632,432 55713.1,433 361.775,434 1.677,435 5.32,436 0.234,437 0.007,438 0.098,439 0.069,440 0.051,441 0.031,442 0.018,443 0.019,444 0.012,445 0.008,446 0.548,447 0.17,448 0.63,449 0.616,450 239.569,451 0.003,452 0.001,453 0.008,454 0.004,455 -0.02,456 0.012,457 0.012,458 -0.164,459 0.029,460 -0.122,461 0.005,462 -0.091,463 -0.167,464 -0.135,465 -0.158,466 -0.146,467 -0.152,468 -0.133,469 -0.054,470 0.11,471 -0.138,472 0.028,473 0.038,474 -0.014,475 -0.017,476 0.096,477 -0.029,478 0.101,479 -0.033,480 0.04,481 0.044,482 -0.112,483 0.015,484 -0.159,485 0.032,486 -0.144,487 0.082,488 0.083,489 0.093,490 0.044,491 0.047,492 0.038,493 -0.023,494 -0.025,495 0.178,496 0.166,497 -0.015,498 0.228,499 3.783,500 7.378,501 0.674,502 47.976,503 1.048,504 1.125,505 5.331,506 28.422,507 0.732,508 3.871,509 4.263,510 4.575,511 4.883,512 5.159,513 5.318,514 5.468,515 5.68,516 5.826,517 5.886,518 7.122,519 0.736,520 629.41,521 3.871,522 5.46,523 6.34,524 7.259,525 8.166,526 9.096,527 10.018,528 10.956,529 11.889,530 12.834,531 3.3,534 2,536 14,537 10,538 24,539 2,540 6,541 61,542 28,543 4,544 47,545 65,546 31,547 24,548 10,549 14,550 2,551 5,552 5,553 2,555 1,556 1,559 2,561 28,562 3,564 4,565 4,567 4,568 4,569 18,570 10,571 12,572 2,573 2,574 4,575 4,580 5,584 2,585 4,586 43,587 2,591 2,592 1,596 6,597 6.6,598 4,600 23.583,601 11.34,602 9.25,603 3.496,604 2.271,605 1.276,606 0.991,607 8.334,608 10.49,609 4.159,610 4.779,611 5.328,612 5.854,613 6.358,614 6.513,615 6.744,616 7.105,617 7.426,618 7.692,619 1,620 79,621 16.562,622 8.08,623 8.472,624 28.598,625 23.996,626 2.972,627 127.806,629 211.88,630 212.783,631 6.004,632 78.297,633 100.58,634 59.84,636 212.783,637 390.757,638 65.844,640 11.073,641 132.667,642 120.256,643 55.37,644 59.84,645 211.88,646 78.297,647 211.88,648 218.786,649 160.42,650 78.297,651 271.72,652 100.58,654 11.073,655 207.714,656 78.297,658 271.72,659 106.583,660 291.08,661 211.88,662 80.115,663 138.671,665 238.717,666 211.88,667 166.424,668 291.08,669 0.6,670 0.358,671 0.193,672 0.109,673 34,674 18,675 0.123,676 8,677 4.667,678 485.7,679 29,680 183.329,682 30.282,683 11.834,684 5.755,685 166.424,686 15.643,687 -4.889,688 669.384,689 63,690 55.677,692 -4.329,693 63.931,694 68.648,695 0.313,696 0.573,697 0.681,698 0.779,699 5.438,700 2.226,701 6.385,702 6.308,703 4.949,704 5.468,705 3.023,706 7.302,707 4.878,708 6.683,709 2.18,710 8.021,711 6.173,712 4.796,713 5.394,714 2.179,715 8.599,716 4.668,717 8.024,718 1.737,719 9.769,720 6.127,721 6.671,722 7.648,723 3.982,724 11.761,725 6.565,726 9.397,727 1.732,728 11.589,729 4.956,730 7.321,731 8.3,732 3.84,733 13.984,734 7.196,735 10.802,736 1.642,737 13.46,738 4.844,739 8.753,740 10.089,741 5.167,742 16.798,743 8.641,744 12.23,745 5.284} {0 CHEMBL365364,1 0.8,2 0.8,3 0.73,4 1.702,5 11.774,6 5.882,7 34.592,8 126.632,9 9.244,10 0.529,11 4.028,12 4.12,13 3.82,14 3.718,15 5.158,16 3.66,17 4.544,18 4.667,19 4.199,20 4.111,21 5.655,22 4.026,23 4.826,24 4.998,25 4.298,26 4.216,27 5.963,28 4.119,29 4.847,30 5.033,31 4.23,32 4.177,33 6.064,34 4.076,35 4.814,36 4.98,37 4.295,38 4.169,39 6.044,40 4.099,41 4.835,42 5.001,43 4.206,44 4.214,45 6.008,46 4.113,47 4.9,48 5.101,49 4.304,50 4.234,51 6.06,52 4.089,53 4.775,54 4.992,55 4.241,56 4.126,57 5.905,58 3.953,59 0.051,60 0.654,61 7.041,62 4.383,63 6.974,64 5.348,65 0.177,66 1.12,67 18.403,68 8.426,69 18.347,70 9.707,71 0.402,72 1.445,73 31.098,74 11.289,75 43.774,76 12.894,77 0.527,78 1.509,79 34.748,80 11.877,81 80.544,82 12.774,83 0.51,84 1.445,85 29.129,86 10.996,87 61.371,88 11.506,89 0.367,90 1.358,91 25.399,92 11.451,93 62.13,94 13.328,95 0.539,96 1.459,97 33.281,98 13.135,99 90.193,100 15.389,101 0.412,102 1.31,103 39.041,104 13.396,105 63.331,106 15.838,107 17,108 47,109 0.283,110 0.526,111 0.653,112 0.744,113 0.753,114 0.753,115 3.472,116 1.038,117 -6.75,118 -6.56,119 -6.08,120 47.1,122 1,123 1,125 2,128 13,129 1,130 4,132 2,133 11,134 8,135 16,136 2,137 12,138 14,139 8,140 7,142 14,143 16,145 6,146 16,148 6,149 13,150 10,151 11,152 8,153 8,154 1723,155 21.035,156 21.035,157 21.035,158 21.035,159 21.035,160 18.57,161 23.103,162 12.541,163 21.61,164 16.762,165 16.762,166 16.762,167 16.762,168 16.762,169 13.123,170 29.502,171 5.974,172 17.753,173 3.97,174 2.507,175 1.742,176 1.191,177 1.137,178 1.137,179 4.167,180 2,182 1,183 788,184 3,185 92.46,186 329.787,187 1.746,188 33.189,189 0.75,190 0.67,191 0.83,192 0.5,193 0.5,194 0.83,195 1,196 0.73,197 65.667,198 365,199 4.561,200 4.256,201 7.184,202 4.376,203 3.402,204 3.902,205 3.272,206 12.58,207 3.309,208 4.027,209 4.13,210 6.022,211 3.596,212 2.641,213 3.624,214 2.166,215 8.387,216 2.524,217 3.936,218 3.394,219 6.008,220 3.567,221 2.591,222 3.444,223 1.722,224 8.374,225 2.516,226 3.896,227 3.01,228 5.34,229 3.502,230 2.519,231 3.394,232 0.215,233 6.965,234 2.477,235 3.518,236 2.933,237 5.135,238 3.142,239 2.237,240 2.79,241 0.109,242 6.15,243 1.959,244 3.498,245 2.81,246 5.096,247 3.09,248 2.18,249 2.734,251 6.084,252 1.947,253 3.123,254 2.755,255 4.816,256 2.647,257 1.664,258 2.243,259 4.827,260 1.572,261 2.956,262 2.388,263 4.56,264 2.572,265 1.642,266 2.118,267 4.226,268 1.508,269 2.706,270 2.115,271 3.769,272 2.42,273 1.446,274 1.726,275 3.328,276 1.371,277 2.5,278 1.724,279 3.559,280 2.11,281 1.204,282 1.5,283 2.79,284 1.052,285 2.5,286 1.457,287 3.414,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1.387,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.385,302 1,303 3.247,304 2,305 1,306 1.364,307 2.136,308 1,309 1.877,310 1,311 3.136,312 1.513,313 0.566,314 0.658,315 1.319,316 0.515,317 1.4,318 1,319 3.102,320 0.982,321 0.077,322 0.095,323 0.182,324 0.06,325 15.729,326 0.507,327 0.716,328 0.023,329 41,330 1.323,331 22,332 0.71,333 19,334 0.613,335 28.129,336 0.907,337 31.671,338 0.621,339 30.586,340 0.987,341 7.546,342 0.243,343 7.496,344 0.242,345 0.133,347 0.305,349 0.522,350 1.031,351 0.567,352 0.792,353 0.503,354 0.805,355 0.587,356 1.353,357 0.878,358 1.141,359 0.564,360 1.025,361 1.066,362 1.139,363 0.985,364 1.012,365 1.033,366 0.986,367 1.283,368 1,369 1.014,370 0.976,371 1.182,372 0.921,373 1.25,374 1.004,375 1.004,376 1.572,377 0.901,378 1.059,379 1.061,380 0.718,381 0.992,382 1.469,383 1.075,384 0.993,385 0.913,386 0.788,387 0.865,388 1.224,389 0.969,390 0.628,391 1.007,392 1.019,393 1.09,394 0.542,395 0.947,396 5,397 0.185,398 3.333,399 2.799,400 2.261,401 1.185,402 0.651,403 0.669,404 0.362,405 0.269,406 12857,407 40886,408 2.084,409 39.2,411 17,413 1,414 2,415 1.741,416 1.958,417 3.487,418 -0.767,419 86.816,420 1.702,421 3.165,422 3.93,423 4.481,424 4.535,425 4.535,426 2.922,427 3.833,428 4.916,429 3.686,430 1714.12,431 8.62,432 24394.5,433 289.294,434 1.383,435 4.888,436 0.147,437 0.007,438 0.071,439 0.057,440 0.049,441 0.025,442 0.014,443 0.016,444 0.01,445 0.009,446 0.405,447 0.17,448 0.75,449 0.541,450 160.613,451 0.039,452 0.006,453 0.028,454 0.02,455 -0.023,456 0.014,457 0.102,458 -0.28,459 -0.084,460 -0.195,461 0.013,462 -0.147,463 -0.031,464 -0.083,465 -0.077,466 -0.072,467 -0.045,468 -0.062,469 -0.108,470 0.092,471 -0.096,472 0.021,473 0.06,474 0.016,475 -0.051,476 0.059,477 0.024,478 -0.031,479 -0.072,480 0.009,481 -0.034,482 -0.124,483 -0.023,484 -0.099,485 -0.133,486 -0.139,487 0.052,488 0.032,489 0.118,490 0.109,491 -0.019,492 0.037,493 0.224,494 -0.05,495 0.158,496 0.048,497 0.249,498 0.143,499 2.061,500 6.311,501 0.742,502 35.567,503 1.008,504 1.105,505 5.52,506 30.476,507 0.743,508 3.555,509 3.871,510 4.159,511 4.443,512 4.691,513 4.736,514 4.875,515 5.004,516 5.043,517 5.004,518 6.992,519 0.698,520 471.43,521 3.555,522 5.094,523 5.948,524 6.83,525 7.71,526 8.605,527 9.501,528 10.406,529 11.311,530 12.223,531 3.9,534 2,536 13,537 5,538 18,540 2,541 51,542 20,543 3,544 34,545 54,546 24,547 18,548 5,549 13,551 4,552 4,553 2,558 1,559 1,561 20,562 4,563 1,564 2,565 2,567 2,569 20,570 4,571 7,572 3,573 2,574 2,575 3,580 4,581 1,582 1,584 2,586 31,587 3,589 1,590 1,591 2,596 2,597 3.9,598 2,600 15.833,601 9.102,602 6.861,603 2.992,604 2.137,605 1.283,606 0.99,607 7.108,608 9.679,609 3.829,610 4.376,611 4.885,612 5.395,613 5.897,614 5.912,615 6.221,616 6.553,617 6.75,618 6.863,619 0.875,620 49,621 11.525,622 4.997,623 7.808,624 21.825,625 18.072,626 2.308,627 71.556,629 235.422,630 184.854,631 6.004,632 78.297,633 50.29,635 32.22,636 152.635,637 364.009,638 6.004,640 10.337,641 123.191,642 59.699,643 15.7,645 267.642,646 78.297,647 235.422,648 158.638,649 50.29,650 110.517,651 211.88,652 73.832,654 10.337,655 148.301,656 78.297,657 32.22,658 235.422,659 56.293,660 263.152,661 235.422,662 61.663,663 129.195,665 128.587,666 235.422,667 56.293,668 263.152,669 0.578,670 0.339,671 0.186,672 0.108,673 22,674 10,675 0.13,676 7,677 4.211,678 281.376,679 23,680 121.58,681 1,682 22.065,683 9.986,684 5.029,685 56.293,686 23.929,687 3.54,688 554.867,689 45,690 26.623,692 -0.467,693 51.418,694 56.375,695 0.3,696 0.558,697 0.693,698 0.79,699 5.059,700 1.642,701 5.927,702 4.827,703 4.554,704 5.063,705 3.568,706 6.751,707 4.458,708 6.244,709 1.446,710 7.492,711 4.226,712 4.111,713 4.705,714 2.179,715 7.719,716 3.937,717 7.533,718 1.204,719 9.164,720 3.328,721 6.146,722 7.14,723 5.607,724 10.885,725 5.986,726 8.855,727 1,728 10.904,729 2.79,730 6.567,731 7.55,732 3.84,733 12.787,734 6.358,735 10.21,736 1,737 12.69,738 2.275,739 8.064,740 9.47,741 7.869,742 15.506,743 7.855,744 11.589,745 5.292} {0 CHEMBL365523,1 0.809,2 0.809,3 0.599,4 1.598,5 11.758,6 5.755,7 33.122,8 132.182,9 8.318,10 0.5,11 4.146,12 4.257,13 3.811,14 3.753,15 5.243,16 3.715,17 4.684,18 4.846,19 4.203,20 4.143,21 5.743,22 4.086,23 4.978,24 5.177,25 4.301,26 4.284,27 6.051,28 4.207,29 5.044,30 5.259,31 4.23,32 4.279,33 6.174,34 4.199,35 5.082,36 5.295,37 4.285,38 4.337,39 6.198,40 4.262,41 5.121,42 5.317,43 4.33,44 4.413,45 6.222,46 4.314,47 5.191,48 5.417,49 4.361,50 4.382,51 6.319,52 4.261,53 5.036,54 5.278,55 4.262,56 4.233,57 6.14,58 4.11,59 0.039,60 0.796,61 9.971,62 5.143,63 7.073,64 6.642,65 0.209,66 1.328,67 20.591,68 8.579,69 22.51,70 11.325,71 0.419,72 1.668,73 35.498,74 11.976,75 46.172,76 15.486,77 0.524,78 1.767,79 38.313,80 12.69,81 85.072,82 16.346,83 0.627,84 1.826,85 36.191,86 13.42,87 74.388,88 17.398,89 0.379,90 1.833,91 36.649,92 14.999,93 71.21,94 19.266,95 0.662,96 1.908,97 46.004,98 16.041,99 113.414,100 20.376,101 0.598,102 1.634,103 43.501,104 13.845,105 92.666,106 17.948,107 27,108 50,109 0.259,110 0.521,111 0.671,112 0.761,113 0.768,114 0.768,115 3.532,116 0.974,117 -6.36,118 -6.2,119 -5.75,120 44.8,121 1,122 1,123 1,125 3,128 13,129 1,130 4,132 2,133 11,134 11,135 14,136 2,137 15,138 11,139 10,140 7,141 4,142 11,143 18,145 6,146 18,148 14,149 10,150 14,151 7,152 8,153 12,154 2024,155 22.353,156 22.353,157 22.353,158 22.353,159 22.353,160 19.888,161 28.633,162 13.177,163 22.86,164 17.672,165 17.672,166 17.672,167 17.672,168 17.672,169 14.044,170 39.754,171 6.193,172 18.547,173 4.26,174 2.642,175 1.718,176 1.164,177 1.116,178 1.116,179 4.225,180 2,182 1,183 832,184 3.464,185 100.508,186 357.116,187 1.673,188 34.773,189 0.75,190 0.67,191 0.83,192 0.7,193 0.5,194 0.83,195 1,196 0.75,197 70.167,198 388,199 4.562,200 4.137,201 7.184,202 4.376,203 3.402,204 3.902,205 2.166,206 12.58,207 3.31,208 4.027,209 3.394,210 6.025,211 3.636,212 2.672,213 3.624,214 1.722,215 8.404,216 2.584,217 3.946,218 3.017,219 6.008,220 3.596,221 2.641,222 3.456,223 0.916,224 8.374,225 2.516,226 3.924,227 2.979,228 5.564,229 3.552,230 2.574,231 3.394,232 0.215,233 7.621,234 2.516,235 3.518,236 2.933,237 5.135,238 3.197,239 2.268,240 2.79,241 0.172,242 6.166,243 2.1,244 3.509,245 2.775,246 5.098,247 3.092,248 2.18,249 2.738,250 0.109,251 6.084,252 1.947,253 3.35,254 2.421,255 5.012,256 3.09,257 2.163,258 2.427,259 5.972,260 1.933,261 3.123,262 2.388,263 4.816,264 2.647,265 1.642,266 2.243,267 4.827,268 1.572,269 2.852,270 1.8,271 4.554,272 2.44,273 1.45,274 1.98,275 4.165,276 1.432,277 2.59,278 1.518,279 3.607,280 2.335,281 1.37,282 1.601,283 3.041,284 1.287,285 2.5,286 1.457,287 3.454,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.5,302 1,303 3.414,304 2,305 1,306 1.5,307 2.136,308 1,309 2.043,310 1,311 3.247,312 1.811,313 0.813,314 0.896,315 1.875,316 0.8,317 1.477,318 0.79,319 3.102,320 1.337,321 0.351,322 0.377,323 0.549,324 0.343,325 16.295,326 0.494,327 0.784,328 0.024,329 42.75,330 1.295,331 22,332 0.667,333 20.75,334 0.629,335 30.607,336 0.927,337 34.705,338 0.598,339 34.765,340 1.053,341 8.418,342 0.255,343 7.556,344 0.229,345 0.159,347 0.319,349 0.561,350 1.255,351 0.579,352 0.94,353 0.513,354 0.901,355 0.691,356 1.271,357 0.674,358 0.928,359 0.557,360 0.932,361 1.068,362 1.13,363 0.932,364 0.976,365 0.98,366 0.958,367 1.173,368 1.048,369 0.873,370 0.929,371 1.069,372 0.932,373 1.001,374 0.832,375 0.816,376 1.304,377 0.859,378 0.962,379 1.136,380 0.698,381 1.075,382 1.357,383 1.079,384 1.15,385 1.018,386 0.808,387 0.937,388 1.416,389 0.981,390 1.023,391 0.913,392 0.873,393 0.855,394 0.989,395 0.864,396 6,397 0.259,398 3.556,399 3.049,400 2.421,401 1.324,402 0.849,403 0.863,404 0.461,405 0.289,406 14555,407 42684,408 2.061,409 43.1,411 19,413 1,414 5,415 1.759,416 1.922,417 3.508,418 -0.781,419 92.7,420 1.598,421 3.216,422 4.14,423 4.694,424 4.742,425 4.742,426 2.919,427 3.965,428 5.011,429 3.679,430 1942.63,431 8.816,432 28704.8,433 339.763,434 1.434,435 4.971,436 0.167,437 0.008,438 0.071,439 0.058,440 0.047,441 0.024,442 0.016,443 0.018,444 0.011,445 0.007,446 0.427,447 0.33,448 0.75,449 0.718,450 173.625,451 0.041,452 -0.111,453 0.025,454 -0.045,455 -0.024,456 -0.012,457 0.071,458 -0.137,459 0.033,460 -0.035,461 0.023,462 -0.033,463 -0.032,464 -0.064,465 -0.044,466 -0.048,467 -0.019,468 -0.03,469 -0.068,470 0.005,471 -0.058,472 -0.013,473 0.082,474 -0.003,475 0.065,476 0.2,477 0.057,478 0.092,480 0.075,481 0.003,482 -0.166,483 0.004,484 -0.128,485 -0.089,486 -0.115,487 -0.005,488 -0.06,489 0.072,490 0.027,491 -0.042,492 -0.005,493 0.052,494 0.053,495 0.138,496 0.129,497 0.105,498 0.131,499 2.096,500 6.497,501 0.697,502 36.404,503 1.004,504 1.117,505 5.132,506 26.341,507 0.703,508 3.611,509 3.932,510 4.22,511 4.5,512 4.754,513 4.82,514 4.963,515 5.106,516 5.165,517 5.118,518 7.032,519 0.663,520 482.44,521 3.611,522 5.153,523 6.009,524 6.893,525 7.774,526 8.67,527 9.565,528 10.47,529 11.375,530 12.286,531 5.2,532 1,534 2,536 13,537 5,538 18,540 2,541 58,542 20,543 3,544 36,545 61,546 26,547 18,548 5,549 13,551 4,552 4,553 2,554 1,558 1,559 1,561 20,562 6,563 1,564 2,565 2,567 2,569 25,570 5,571 7,572 2,573 3,574 2,575 3,578 1,580 4,583 1,584 2,586 33,587 4,590 1,591 3,596 2,597 3.4,598 2,600 17.167,601 10.636,602 7.361,603 3.625,604 2.085,605 1.274,606 0.98,607 7.586,608 9.71,609 3.871,610 4.413,611 4.914,612 5.422,613 5.926,614 5.962,615 6.273,616 6.608,617 6.801,618 6.905,619 0.875,620 53,621 12.278,622 5.28,623 7.779,624 23.317,625 19.175,626 2.279,627 75.222,629 294.278,630 165.978,631 9.128,632 78.297,633 50.29,636 165.978,637 422.865,638 9.128,639 8.825,640 14.855,641 123.191,642 59.699,643 18.825,645 294.278,646 78.297,647 294.278,648 175.106,649 50.29,650 78.297,651 235.422,652 109.145,654 26.805,655 148.301,656 78.297,658 294.278,659 59.418,660 244.275,661 294.278,662 33.961,663 141.144,665 128.587,666 294.278,667 59.418,668 244.275,669 0.578,670 0.342,671 0.185,672 0.108,673 23,674 11,675 0.131,676 8,677 4.287,678 309.569,679 23,680 134.465,682 23.62,683 10.599,684 5.349,685 59.418,686 23.994,687 3.504,688 597.97,689 47,690 26.994,692 -0.485,693 58.211,694 64.784,695 0.273,696 0.549,697 0.707,698 0.801,699 5.109,700 1.642,701 5.994,702 5.972,703 4.615,704 5.1,705 2.742,706 6.821,707 4.531,708 6.293,709 1.45,710 7.563,711 4.827,712 4.205,713 4.758,714 2.221,715 7.789,716 4.019,717 7.583,718 1.37,719 9.235,720 4.165,721 6.217,722 7.167,723 3.782,724 10.939,725 6.062,726 8.904,727 1,728 10.972,729 3.041,730 6.648,731 7.581,732 3.85,733 12.823,734 6.424,735 10.257,736 1,737 12.753,738 2.275,739 8.13,740 9.487,741 5.067,742 15.534,743 7.919,744 11.632,745 4.301} {0 CHEMBL370034,1 0.804,2 0.804,3 0.674,4 1.747,5 12.545,6 5.985,7 35.82,8 124.067,9 9.334,10 0.5,11 4.058,12 4.147,13 3.809,14 3.696,15 5.273,16 3.678,17 4.578,18 4.701,19 4.225,20 4.086,21 5.807,22 4.055,23 4.901,24 5.075,25 4.325,26 4.2,27 6.175,28 4.161,29 4.896,30 5.068,31 4.216,32 4.146,33 6.244,34 4.115,35 4.889,36 5.054,37 4.219,38 4.173,39 6.176,40 4.142,41 4.938,42 5.103,43 4.258,44 4.222,45 6.286,46 4.162,47 4.929,48 5.12,49 4.321,50 4.211,51 6.307,52 4.115,53 4.835,54 5.052,55 4.205,56 4.105,57 6.041,58 3.993,59 0.121,60 0.738,61 6.194,62 4.445,63 14.822,64 5.037,65 0.291,66 1.222,67 12.995,68 7.676,69 29.033,70 8.935,71 0.727,72 1.606,73 30.369,74 11.175,75 88.135,76 12.438,77 0.854,78 1.56,79 29.789,80 10.615,81 125.022,82 11.042,83 0.731,84 1.493,85 24.472,86 10.524,87 102.003,88 11.213,89 0.855,90 1.538,91 26.576,92 11.732,93 139.029,94 12.791,95 0.94,96 1.511,97 31.698,98 12.822,99 155.487,100 15.441,101 0.653,102 1.38,103 33.894,104 12.302,105 90.135,106 15.372,107 37,108 51,109 0.288,110 0.552,111 0.67,112 0.756,113 0.756,114 0.756,115 3.532,116 0.924,117 -6.19,118 -6.03,119 -5.61,120 48.1,122 3,123 1,128 12,129 1,130 5,131 1,132 2,133 11,134 10,135 15,136 2,137 15,138 14,139 15,140 9,142 15,143 17,145 6,146 20,147 4,148 6,149 16,150 10,151 10,152 12,153 10,154 2063,155 21.982,156 21.982,157 21.982,158 21.982,159 21.982,160 19.401,161 23.674,162 12.767,163 22.379,164 17.689,165 17.689,166 17.689,167 17.689,168 17.689,169 13.783,170 28.456,171 6.037,172 18.436,173 3.953,174 2.355,175 1.635,176 1.115,177 1.115,178 1.115,179 4.222,180 2,182 1,183 889,184 3.391,185 100.915,186 357.008,187 1.769,188 53.703,189 0.75,190 0.67,191 1,192 0.6,193 0.5,194 1,195 1,196 0.79,197 72.167,198 414,199 4.562,200 4.137,201 7.184,202 4.376,203 3.402,204 3.902,205 2.166,206 12.58,207 3.31,208 4.179,209 3.6,210 6.032,211 3.828,212 2.812,213 3.756,214 1.722,215 8.573,216 2.857,217 4.027,218 3.394,219 6.016,220 3.596,221 2.641,222 3.624,223 1.277,224 8.384,225 2.526,226 3.935,227 3.008,228 6.008,229 3.565,230 2.587,231 3.394,232 0.215,233 8.374,234 2.516,235 3.658,236 2.933,237 5.135,238 3.245,239 2.29,240 3.012,241 0.109,242 6.15,243 2.17,244 3.518,245 2.884,246 5.096,247 3.14,248 2.23,249 2.79,251 6.084,252 1.962,253 3.496,254 2.777,255 5.022,256 3.09,257 2.18,258 2.734,259 6.02,260 1.947,261 3.123,262 2.388,263 4.816,264 2.647,265 1.642,266 2.243,267 4.827,268 1.572,269 2.891,270 1.982,271 4.56,272 2.593,273 1.606,274 1.956,275 4.252,276 1.564,277 2.634,278 1.877,279 4.181,280 2.324,281 1.346,282 1.636,283 3.792,284 1.282,285 2.5,286 1.457,287 3.528,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1.279,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.5,302 1,303 3.414,304 2,305 1,306 1.5,307 2.275,308 1,309 2.217,310 1,311 3.414,312 1.957,313 0.938,314 1.104,315 2.22,316 0.939,317 1.642,318 1,319 3.102,320 1.265,321 0.205,322 0.257,323 0.478,324 0.21,325 16.014,326 0.485,327 0.912,328 0.028,329 44,330 1.333,331 23.5,332 0.712,333 20.5,334 0.621,335 28.614,336 0.867,337 34.386,338 0.661,339 36.903,340 1.118,341 8.642,342 0.262,343 7.204,344 0.218,345 0.169,347 0.362,348 1,349 0.511,350 0.982,351 0.52,352 0.851,353 0.503,354 0.819,355 0.567,356 1.21,357 0.624,358 1.014,359 0.558,360 0.991,361 1.043,362 1.04,363 0.946,364 0.964,365 1.005,366 0.946,367 1.228,368 0.905,369 0.981,370 0.92,371 1.179,372 0.962,373 1.049,374 0.816,375 0.893,376 1.204,377 0.958,378 0.966,379 0.871,380 0.765,381 0.983,382 1.152,383 1.077,384 0.625,385 0.871,386 0.775,387 0.969,388 0.745,389 1.03,390 0.621,391 0.916,392 0.873,393 1.015,394 0.585,395 0.996,396 6.5,397 0.244,398 4.444,399 3.236,400 2.492,401 1.358,402 0.774,403 0.741,404 0.477,405 0.372,406 15007,407 54779,408 2.043,409 36.5,410 4,411 12,413 3,415 1.756,416 1.886,417 3.575,418 -0.751,419 90.861,420 1.747,421 3.346,422 4.065,423 4.585,424 4.585,425 4.585,426 3.017,427 3.965,428 5.01,429 3.756,430 1983.37,431 8.801,432 29553.6,433 296.423,434 1.495,435 4.961,436 0.181,437 0.008,438 0.087,439 0.06,440 0.05,441 0.027,442 0.016,443 0.016,444 0.012,445 0.01,446 0.466,447 0.33,448 0.75,449 0.6,450 174.629,451 0.016,452 -0.012,453 0.014,454 -0.008,455 -0.02,456 0.006,457 0.066,458 -0.241,459 0.024,460 -0.144,461 0.021,462 -0.12,463 -0.092,464 -0.053,465 -0.055,466 -0.028,467 -0.073,468 -0.004,469 -0.191,470 0.05,471 -0.164,472 -0.009,473 -0.085,474 -0.048,475 -0.136,476 0.03,477 -0.045,478 -0.005,479 -0.137,480 -0.04,481 -0.035,482 -0.024,483 -0.046,484 -0.055,485 -0.068,486 -0.124,487 0.23,488 -0.02,489 0.152,490 0.027,491 0.16,492 0.012,493 0.133,494 -0.068,495 0.197,496 0.019,497 0.114,498 0.107,499 2.266,500 6.313,501 0.697,502 37.864,503 1.023,504 1.115,505 4.962,506 24.625,507 0.724,508 3.611,509 3.951,510 4.234,511 4.5,512 4.754,513 4.82,514 4.934,515 5.043,516 5.106,517 5.094,518 7.314,519 0.702,520 485.36,521 3.611,522 5.165,523 6.023,524 6.911,525 7.794,526 8.691,527 9.586,528 10.491,529 11.395,530 12.305,531 3.8,534 2,536 12,537 6,538 18,539 1,540 3,541 52,542 21,543 3,544 36,545 55,546 25,547 18,548 6,549 12,550 1,551 4,552 4,553 2,558 1,559 3,561 21,562 4,563 1,564 3,565 3,567 3,568 1,569 19,570 6,571 8,572 2,573 2,574 3,575 3,580 4,584 2,585 1,586 33,587 3,590 1,591 2,596 3,597 5.8,598 3,600 17.5,601 9.412,602 7.222,603 3.16,604 2.137,605 1.279,606 0.986,607 7.014,608 9.796,609 3.892,610 4.46,611 4.975,612 5.473,613 5.983,614 6.061,615 6.314,616 6.574,617 6.781,618 6.915,619 1,620 54,621 12.334,622 5.494,623 8.108,624 22.66,625 18.794,626 2.608,627 86.056,629 223.651,630 160.683,631 6.004,632 78.297,633 75.435,634 14.96,636 160.683,637 377.383,638 20.964,640 13.607,641 113.715,642 89.978,643 24.821,644 14.96,645 223.651,646 78.297,647 223.651,648 166.686,649 90.395,650 78.297,651 238.611,652 75.435,654 13.607,655 153.079,656 78.297,658 238.611,659 81.438,660 238.98,661 223.651,662 46.968,663 119.719,665 168.692,666 223.651,667 96.398,668 238.98,669 0.588,670 0.345,671 0.181,672 0.106,673 24,674 12,675 0.127,676 7,677 4.296,678 308.057,679 23,680 134.465,682 23.281,683 9.942,684 5.049,685 96.398,686 18.527,687 1.982,688 559.029,689 48,690 39.016,692 -0.935,693 53.182,694 58.005,695 0.307,696 0.587,697 0.713,698 0.804,699 5.139,700 1.642,701 6.023,702 6.02,703 4.635,704 5.147,705 2.85,706 6.86,707 4.566,708 6.343,709 1.606,710 7.603,711 4.827,712 4.29,713 4.913,714 2.179,715 7.847,716 4.138,717 7.647,718 1.346,719 9.286,720 4.252,721 6.252,722 7.254,723 3.877,724 10.986,725 6.133,726 8.982,727 1,728 11.029,729 3.792,730 6.723,731 7.76,732 3.84,733 12.869,734 6.551,735 10.347,736 1,737 12.815,738 2.275,739 8.179,740 9.609,741 5.116,742 15.573,743 8.021,744 11.733,745 4.959} {0 CHEMBL370703,1 0.739,2 0.739,3 0.691,4 1.563,5 12.293,6 6.776,7 45.917,8 160.852,9 8.304,10 0.533,11 4.353,12 4.45,13 4.015,14 3.961,15 5.463,16 3.931,17 4.89,18 5.025,19 4.393,20 4.351,21 5.967,22 4.303,23 5.172,24 5.347,25 4.517,26 4.491,27 6.258,28 4.426,29 5.291,30 5.491,31 4.47,32 4.455,33 6.444,34 4.403,35 5.292,36 5.476,37 4.54,38 4.486,39 6.52,40 4.449,41 5.287,42 5.45,43 4.567,44 4.624,45 6.394,46 4.547,47 5.468,48 5.676,49 4.675,50 4.709,51 6.551,52 4.608,53 5.463,54 5.68,55 4.734,56 4.68,57 6.547,58 4.588,59 0.054,60 0.909,61 12.064,62 6.539,63 9.789,64 8.046,65 0.335,66 1.506,67 24.934,68 11.107,69 35.653,70 13.473,71 0.441,72 1.959,73 40.332,74 15.151,75 52.219,76 18.843,77 0.78,78 2.182,79 48.378,80 16.147,81 116.471,82 19.361,83 1.399,84 2.132,85 45.223,86 15.804,87 139.786,88 18.714,89 0.606,90 2.129,91 40.472,92 17.405,93 80.764,94 21.212,95 0.754,96 2.541,97 56.596,98 21.494,99 126.313,100 26.976,101 0.747,102 2.47,103 59.84,104 21.931,105 107.245,106 27.579,107 17,108 62,109 0.241,110 0.482,111 0.6,112 0.69,113 0.702,114 0.702,115 3.742,116 0.945,117 -6.7,118 -6.51,119 -6.04,120 46.5,122 2,124 1,125 4,128 18,129 2,130 4,132 2,133 18,134 12,135 21,136 2,137 22,138 14,139 14,140 6,141 8,142 12,143 22,144 1,145 6,146 26,148 18,149 16,150 28,151 14,152 20,153 14,154 4288,155 28.034,156 28.034,157 28.034,158 28.034,159 28.034,160 24.845,161 32.196,162 16.842,163 28.671,164 22.175,165 22.175,166 22.175,167 22.175,168 22.175,169 17.53,170 42.647,171 7.985,172 23.246,173 4.587,174 3.03,175 2.262,176 1.683,177 1.606,178 1.606,179 4.445,180 2,183 1088,184 4,185 128.214,186 630.925,187 1.861,188 47.633,189 0.5,190 0.5,191 0.5,192 0.6,193 0.5,194 0.5,195 0.5,196 0.51,197 87.667,198 504,199 4.842,200 4.407,201 8.058,202 4.728,203 3.734,204 4.073,205 2.166,206 15.527,207 3.708,208 4.124,209 3.394,210 6.736,211 3.87,212 2.904,213 3.624,214 1.722,215 10.843,216 2.796,217 4.027,218 3.123,219 6.094,220 3.596,221 2.641,222 3.599,223 1.151,224 8.442,225 2.516,226 3.896,227 2.933,228 5.34,229 3.509,230 2.521,231 3.444,232 1.151,233 6.965,234 2.491,235 3.896,236 2.866,237 5.34,238 3.508,239 2.52,240 3.444,241 0.215,242 6.965,243 2.49,244 3.643,245 2.841,246 5.294,247 3.234,248 2.336,249 2.906,250 0.109,251 6.262,252 2.053,253 3.518,254 2.827,255 5.144,256 3.09,257 2.18,258 2.79,259 6.127,260 1.947,261 3.123,262 2.388,263 4.91,264 2.647,265 1.671,266 2.243,267 4.956,268 1.572,269 2.967,270 2.347,271 4.718,272 2.609,273 1.656,274 2.12,275 4.633,276 1.547,277 2.953,278 2.114,279 4.092,280 2.586,281 1.642,282 2.117,283 3.428,284 1.542,285 2.886,286 2.009,287 3.908,288 2.492,289 1.517,290 1.955,291 3.33,292 1.448,293 2.527,294 1.523,295 3.672,296 2.319,297 1.362,298 1.528,299 2.908,300 1.287,301 2.5,302 1.49,303 3.618,304 2.166,305 1.245,306 1.5,307 2.776,308 1.123,309 2.5,310 1.457,311 3.414,312 2,313 1,314 1.5,315 2.275,316 1,317 2.5,318 1,319 3.414,320 2,321 1,322 1.5,323 2.275,324 1,325 20.062,326 0.489,327 0.868,328 0.021,329 53.5,330 1.305,331 28,332 0.683,333 25.5,334 0.622,335 40.379,336 0.985,337 42.938,338 0.605,339 47.876,340 1.168,341 10.758,342 0.262,343 9.218,344 0.225,345 0.104,346 0.025,347 0.239,349 0.64,350 1.142,351 0.591,352 0.95,353 0.554,354 0.889,355 0.988,356 1.191,357 0.746,358 0.935,359 0.708,360 0.948,361 1.022,362 1.258,363 0.937,364 1.103,365 0.983,366 1.042,367 1.462,368 1.06,369 0.92,370 0.946,371 1.478,372 0.927,373 1.344,374 0.744,375 0.713,376 1.648,377 0.784,378 1.047,379 1.144,380 0.784,381 1.083,382 1.4,383 1.104,384 0.986,385 1.03,386 0.791,387 0.982,388 1.265,389 0.996,390 0.997,391 1.016,392 0.729,393 0.902,394 0.695,395 0.864,396 7,397 0.337,398 4.667,399 3.708,400 3.017,401 1.633,402 0.963,403 1.059,404 0.643,405 0.53,406 26364,407 75898,408 2.099,409 42.3,411 26,414 4,415 1.816,416 1.992,417 3.535,418 -0.8,419 110.96,420 1.563,421 3.12,422 3.888,423 4.467,424 4.544,425 4.544,426 3.027,427 3.992,428 5.319,429 3.798,430 3114.64,431 9.467,432 54457,433 436.632,434 1.371,435 5.297,436 0.156,437 0.006,438 0.075,439 0.055,440 0.047,441 0.023,442 0.014,443 0.015,444 0.009,445 0.008,446 0.407,447 0.33,448 0.5,449 0.458,450 229.984,451 0.024,452 -0.051,453 0.029,454 -0.038,455 -0.032,456 -0.001,457 -0.036,458 -0.122,459 -0.016,460 -0.016,461 -0.05,462 -0.049,463 -0.013,464 -0.212,465 -0.048,466 -0.16,467 -0.014,468 -0.107,469 -0.136,471 -0.062,472 -0.028,473 -0.008,474 -0.011,475 0.152,476 0.302,477 0.035,478 0.189,479 0.051,480 0.109,481 -0.018,482 -0.151,483 -0.068,484 -0.141,485 -0.116,486 -0.166,487 0.007,488 -0.046,489 0.068,490 -0.015,491 -0.025,492 -0.013,493 0.062,494 -0.06,495 0.21,496 0.085,497 0.181,498 0.138,499 2.646,500 7.396,501 0.707,502 56.209,503 1.006,504 1.112,505 5.466,506 29.88,507 0.704,508 3.829,509 4.143,510 4.443,511 4.718,512 4.984,513 5.056,514 5.22,515 5.394,516 5.493,517 5.521,518 7.905,519 0.668,520 589.55,521 3.829,522 5.371,523 6.229,524 7.114,525 8.002,526 8.906,527 9.814,528 10.732,529 11.655,530 12.584,531 2.8,534 2,536 18,537 6,538 24,540 2,541 71,542 26,543 4,544 45,545 75,546 33,547 24,548 6,549 18,551 5,552 5,553 2,555 1,556 1,559 2,561 26,562 7,564 2,565 2,567 2,569 30,570 6,571 8,572 2,573 2,574 4,575 4,579 2,580 5,584 2,586 41,587 6,588 2,591 2,592 1,596 2,597 5.6,598 2,599 2,600 20.583,601 12.602,602 9.139,603 4.186,604 2.157,605 1.268,606 0.974,607 9.628,608 10.22,609 4.094,610 4.635,611 5.153,612 5.642,613 6.133,614 6.12,615 6.425,616 6.782,617 7.026,618 7.18,619 1,620 67,621 15.312,622 6.652,623 7.764,624 28.944,625 23.803,626 2.264,627 92.806,629 353.133,630 222.306,631 6.004,632 78.297,633 72.29,636 222.306,637 503.72,638 6.004,640 29.442,641 170.572,642 81.699,643 18.886,645 353.133,646 78.297,647 353.133,648 228.31,649 72.29,650 78.297,651 306.049,652 97.374,653 22,654 29.442,655 198.868,656 78.297,658 353.133,659 78.293,660 300.604,661 353.133,662 51.734,663 176.576,665 150.587,666 353.133,667 78.293,668 300.604,669 0.574,670 0.339,671 0.185,672 0.106,673 28,674 12,675 0.16,676 12,677 4.931,678 423.914,679 29,680 163.66,682 29.152,683 13.541,684 6.765,685 78.293,686 33.266,687 4.143,688 732.03,689 59,690 28.791,692 -0.683,693 71.414,694 78.95,695 0.254,696 0.507,697 0.632,698 0.726,699 5.328,700 1.671,701 6.217,702 6.127,703 4.828,704 5.323,705 2.961,706 7.083,707 4.749,708 6.515,709 1.656,710 7.81,711 4.956,712 4.443,713 4.956,714 2.179,715 8.385,716 4.321,717 7.815,718 1.642,719 9.532,720 4.633,721 6.482,722 7.411,723 3.912,724 11.553,725 6.361,726 9.156,727 1.517,728 11.345,729 3.428,730 7.031,731 7.849,732 3.84,733 13.845,734 6.91,735 10.537,736 1.362,737 13.225,738 3.33,739 8.539,740 9.771,741 5.12,742 16.664,743 8.413,744 11.949,745 5.125} {0 CHEMBL371783,1 0.802,2 0.802,3 0.625,4 1.573,5 11.774,6 6.771,7 45.851,8 123.064,9 8.555,10 0.529,11 4.059,12 4.161,13 3.748,14 3.705,15 5.169,16 3.664,17 4.588,18 4.729,19 4.144,20 4.101,21 5.671,22 4.036,23 4.907,24 5.106,25 4.229,26 4.22,27 5.993,28 4.135,29 4.913,30 5.119,31 4.129,32 4.17,33 6.089,34 4.093,35 4.909,36 5.103,37 4.155,38 4.19,39 6.075,40 4.127,41 4.945,42 5.13,43 4.169,44 4.236,45 6.107,46 4.144,47 4.939,48 5.149,49 4.215,50 4.222,51 6.074,52 4.097,53 4.832,54 5.06,55 4.142,56 4.117,57 5.937,58 3.976,59 0.038,60 0.686,61 8.42,62 4.649,63 6.922,64 5.933,65 0.142,66 1.151,67 16.916,68 8.102,69 20.348,70 10.527,71 0.383,72 1.521,73 33.408,74 11.723,75 47.562,76 14.907,77 0.483,78 1.538,79 33.623,80 11.432,81 83.159,82 14.171,83 0.428,84 1.514,85 28.955,86 11.29,87 67.681,88 13.843,89 0.456,90 1.509,91 30.55,92 12.223,93 79.378,94 14.774,95 0.5,96 1.473,97 35.033,98 13.057,99 88.849,100 16.33,101 0.356,102 1.314,103 34.999,104 12.448,105 64.931,106 16.342,107 17,108 47,109 0.259,110 0.504,111 0.632,112 0.749,113 0.758,114 0.758,115 3.472,116 0.973,117 -6.95,118 -6.76,119 -6.25,120 47.2,122 4,123 1,128 13,129 1,130 4,132 2,133 15,134 8,135 20,136 2,137 12,138 18,139 12,140 11,142 14,143 18,145 10,146 21,148 6,149 17,150 10,151 15,152 8,153 14,154 1723,155 21.035,156 21.035,157 21.035,158 21.035,159 21.035,160 18.57,161 22.044,162 12.541,163 21.399,164 16.762,165 16.762,166 16.762,167 16.762,168 16.762,169 13.123,170 26.64,171 5.974,172 17.447,173 4.155,174 2.67,175 1.894,176 1.184,177 1.132,178 1.132,179 4.167,180 2,182 1,183 788,184 3,185 92.46,186 329.787,187 1.746,188 33.374,189 0.75,190 0.67,191 0.83,192 0.7,193 0.5,194 0.83,195 1,196 0.75,197 65.667,198 365,199 4.561,200 4.137,201 7.184,202 4.376,203 3.402,204 3.902,205 2.166,206 12.58,207 3.31,208 4.027,209 3.394,210 6.022,211 3.596,212 2.641,213 3.624,214 1.722,215 8.387,216 2.538,217 3.936,218 3.009,219 6.008,220 3.57,221 2.591,222 3.444,223 0.215,224 8.374,225 2.516,226 3.896,227 2.933,228 5.34,229 3.518,230 2.519,231 3.394,232 0.109,233 6.965,234 2.51,235 3.518,236 2.777,237 5.135,238 3.145,239 2.237,240 2.79,242 6.15,243 1.968,244 3.498,245 2.718,246 5.096,247 3.09,248 2.18,249 2.734,251 6.084,252 1.947,253 3.123,254 2.388,255 4.816,256 2.659,257 1.664,258 2.243,259 4.827,260 1.646,261 2.956,262 1.902,263 4.56,264 2.647,265 1.642,266 2.118,267 4.226,268 1.572,269 2.706,270 1.627,271 3.769,272 2.431,273 1.446,274 1.726,275 3.328,276 1.409,277 2.5,278 1.457,279 3.559,280 2.182,281 1.204,282 1.5,283 2.79,284 1.154,285 2.5,286 1.252,287 3.414,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.385,302 1,303 3.247,304 2,305 1,306 1.364,307 2.136,308 1,309 1.877,310 1,311 3.136,312 1.59,313 0.566,314 0.658,315 1.319,316 0.572,317 1.4,318 0.79,319 3.102,320 1.005,321 0.077,322 0.095,323 0.182,324 0.06,325 15.395,326 0.497,327 0.716,328 0.023,329 41,330 1.323,331 22,332 0.71,333 19,334 0.613,335 27.296,336 0.881,337 32.005,338 0.604,339 31.418,340 1.013,341 7.837,342 0.253,343 7.205,344 0.232,345 0.136,347 0.312,349 0.515,350 1.098,351 0.558,352 0.869,353 0.498,354 0.852,355 0.542,356 1.343,357 0.66,358 1.02,359 0.544,360 1.014,361 0.987,362 1.108,363 0.9,364 0.971,365 0.963,366 0.946,367 1.205,368 1.005,369 0.886,370 0.918,371 1.126,372 0.922,373 1.202,374 0.964,375 0.881,376 1.469,377 0.904,378 1.284,379 1.017,380 0.766,381 0.982,382 1.704,383 1.043,384 0.977,385 0.96,386 0.817,387 0.942,388 1.204,389 0.991,390 0.584,391 1.043,392 0.857,393 1.03,394 0.537,395 0.984,396 5,397 0.185,398 3.333,399 2.799,400 2.261,401 1.185,402 0.651,403 0.669,404 0.362,405 0.269,406 12857,407 38230,408 2.084,409 41.5,410 8,411 13,413 1,415 1.741,416 1.958,417 3.487,418 -0.799,419 83.376,420 1.573,421 3.058,422 3.834,423 4.544,424 4.596,425 4.596,426 2.922,427 3.833,428 4.916,429 3.686,430 1714.12,431 8.62,432 24394.5,433 303.58,434 1.383,435 4.888,436 0.147,437 0.007,438 0.071,439 0.057,440 0.049,441 0.025,442 0.014,443 0.016,444 0.01,445 0.009,446 0.405,447 0.33,448 0.88,449 0.541,450 160.613,451 0.045,452 -0.012,453 0.02,454 -0.008,455 -0.015,456 0.008,457 0.132,458 -0.269,459 0.016,460 -0.136,461 0.03,462 -0.122,463 0.014,464 -0.064,465 -0.01,466 -0.032,467 -0.012,469 -0.066,470 0.055,471 -0.064,472 0.004,473 0.074,474 0.008,475 -0.069,476 0.071,477 0.015,478 0.021,479 -0.061,480 0.015,481 -0.109,482 -0.033,483 -0.049,484 -0.051,485 -0.187,486 -0.108,487 0.058,488 -0.009,489 0.091,490 0.043,491 -0.012,492 0.004,493 0.229,494 -0.117,495 0.182,496 -0.006,497 0.229,498 0.061,499 2.04,500 6.321,501 0.742,502 35.567,503 1.004,504 1.111,505 5.722,506 32.738,507 0.717,508 3.555,509 3.871,510 4.159,511 4.443,512 4.691,513 4.736,514 4.875,515 5.004,516 5.043,517 5.004,518 6.992,519 0.678,520 453.39,521 3.555,522 5.094,523 5.948,524 6.83,525 7.71,526 8.605,527 9.501,528 10.406,529 11.311,530 12.223,531 3.8,534 2,536 13,537 5,538 18,540 2,541 53,542 20,543 3,544 34,545 56,546 25,547 18,548 5,549 13,551 4,552 4,553 2,558 1,559 4,561 20,562 5,563 1,564 2,565 2,567 2,569 22,570 4,571 6,572 2,573 2,574 2,575 3,580 4,584 2,586 31,587 4,590 1,591 2,596 2,597 3.8,598 2,600 15.833,601 9.436,602 6.861,603 3.325,604 2.137,605 1.283,606 0.989,607 6.838,608 9.679,609 3.829,610 4.376,611 4.885,612 5.395,613 5.897,614 5.912,615 6.221,616 6.553,617 6.75,618 6.863,619 0.875,620 49,621 11.534,622 5.002,623 7.797,624 21.903,625 18.199,626 2.297,627 71.222,629 258.964,630 158.439,631 6.004,632 78.297,633 50.29,636 158.439,637 387.551,638 6.004,640 16.142,641 123.191,642 59.699,643 15.7,645 258.964,646 78.297,647 258.964,648 164.443,649 50.29,650 78.297,651 258.964,652 50.29,654 16.142,655 148.301,656 78.297,658 258.964,659 56.293,660 236.736,661 258.964,662 35.248,663 129.195,665 128.587,666 258.964,667 56.293,668 236.736,669 0.578,670 0.339,671 0.186,672 0.108,673 22,674 10,675 0.125,676 7,677 4.211,678 281.376,679 23,680 121.58,682 21.728,683 9.756,684 4.888,685 56.293,686 24.044,687 3.598,688 551.994,689 45,690 26.641,692 -0.441,693 53.225,694 58.871,695 0.275,696 0.534,697 0.669,698 0.793,699 5.059,700 1.642,701 5.927,702 4.827,703 4.554,704 5.063,705 2.641,706 6.751,707 4.484,708 6.244,709 1.446,710 7.492,711 4.226,712 4.111,713 4.705,714 2.179,715 7.719,716 3.937,717 7.533,718 1.204,719 9.164,720 3.328,721 6.146,722 7.14,723 3.76,724 10.885,725 6.016,726 8.855,727 1,728 10.904,729 2.79,730 6.567,731 7.55,732 3.84,733 12.787,734 6.363,735 10.21,736 1,737 12.69,738 2.275,739 8.064,740 9.47,741 5.063,742 15.506,743 7.882,744 11.589,745 5.167} {0 CHEMBL371841,1 0.809,2 0.809,3 0.624,4 1.553,5 12.625,6 7.228,7 52.237,8 127.665,9 8.347,10 0.514,11 4.107,12 4.213,13 3.775,14 3.747,15 5.198,16 3.702,17 4.644,18 4.792,19 4.165,20 4.144,21 5.703,22 4.073,23 4.966,24 5.174,25 4.249,26 4.264,27 6.023,28 4.171,29 4.972,30 5.186,31 4.151,32 4.216,33 6.117,34 4.131,35 4.969,36 5.171,37 4.176,38 4.236,39 6.103,40 4.164,41 5.003,42 5.197,43 4.19,44 4.279,45 6.134,46 4.18,47 4.997,48 5.213,49 4.224,50 4.265,51 6.097,52 4.129,53 4.909,54 5.147,55 4.11,56 4.158,57 5.951,58 3.999,59 0.031,60 0.727,61 9.454,62 5.035,63 6.702,64 6.512,65 0.133,66 1.222,67 18.968,68 8.792,69 21.207,70 11.587,71 0.372,72 1.61,73 36.163,74 12.616,75 48.211,76 16.355,77 0.47,78 1.625,79 36.268,80 12.29,81 84.142,82 15.623,83 0.416,84 1.604,85 31.781,86 12.171,87 69.013,88 15.332,89 0.443,90 1.599,91 33.536,92 13.132,93 79.538,94 16.296,95 0.481,96 1.561,97 37.596,98 13.931,99 89.313,100 17.718,101 0.454,102 1.418,103 38.597,104 13.25,105 77.298,106 17.293,107 17,108 48,109 0.253,110 0.498,111 0.624,112 0.747,113 0.767,114 0.767,115 3.502,116 0.988,117 -7.15,118 -6.94,119 -6.42,120 46.4,122 5,123 1,128 13,129 1,130 4,132 2,133 16,134 8,135 21,136 2,137 12,138 19,139 12,140 12,142 14,143 19,145 10,146 22,148 6,149 19,150 6,151 17,152 8,153 15,154 1960,155 21.742,156 21.742,157 21.742,158 21.742,159 21.742,160 19.277,161 22.044,162 13.041,163 22.106,164 17.262,165 17.262,166 17.262,167 17.262,168 17.262,169 13.623,170 26.64,171 6.224,172 17.947,173 4.254,174 2.755,175 1.98,176 1.228,177 1.107,178 1.107,179 4.198,180 2,182 1,183 872,184 3.162,185 97.239,186 347.403,187 1.859,188 33.722,189 0.75,190 0.67,191 0.83,192 0.7,193 0.5,194 0.83,195 1,196 0.75,197 67.667,198 404,199 4.561,200 4.137,201 7.184,202 4.376,203 3.402,204 3.902,205 2.166,206 12.58,207 3.31,208 4.027,209 3.394,210 6.022,211 3.596,212 2.641,213 3.624,214 1.722,215 8.387,216 2.532,217 3.936,218 3.009,219 6.008,220 3.568,221 2.589,222 3.444,223 0.215,224 8.374,225 2.517,226 3.896,227 2.933,228 5.34,229 3.521,230 2.521,231 3.394,232 0.109,233 6.965,234 2.516,235 3.518,236 2.777,237 5.135,238 3.146,239 2.239,240 2.79,242 6.15,243 1.971,244 3.498,245 2.718,246 5.096,247 3.09,248 2.18,249 2.734,251 6.084,252 1.947,253 3.123,254 2.388,255 4.816,256 2.726,257 1.73,258 2.243,259 4.827,260 1.713,261 2.961,262 1.922,263 4.56,264 2.647,265 1.642,266 2.119,267 4.232,268 1.572,269 2.754,270 1.664,271 3.812,272 2.48,273 1.488,274 1.775,275 3.444,276 1.466,277 2.5,278 1.458,279 3.603,280 2.268,281 1.296,282 1.5,283 2.985,284 1.23,285 2.5,286 1.409,287 3.414,288 2,289 1,290 1.5,291 2.275,292 1,293 2.5,294 1,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.483,302 1,303 3.28,304 2,305 1,306 1.48,307 2.136,308 1,309 2.038,310 1,311 3.247,312 1.833,313 0.826,314 0.92,315 1.868,316 0.824,317 1.556,318 0.79,319 3.102,320 1.265,321 0.225,322 0.269,323 0.518,324 0.229,325 15.895,326 0.497,327 0.716,328 0.022,329 41.5,330 1.297,331 22,332 0.688,333 19.5,334 0.609,335 29.183,336 0.912,337 33.305,338 0.595,339 31.689,340 0.99,341 7.837,342 0.245,343 7.705,344 0.241,345 0.132,347 0.302,349 0.515,350 1.112,351 0.574,352 0.889,353 0.495,354 0.873,355 0.539,356 1.345,357 0.672,358 1.035,359 0.537,360 1.029,361 0.967,362 1.097,363 0.887,364 0.963,365 0.942,366 0.938,367 1.18,368 1,369 0.873,370 0.913,371 1.101,372 0.915,373 1.177,374 0.961,375 0.879,376 1.436,377 0.899,378 1.26,379 1.011,380 0.759,381 0.973,382 1.669,383 1.028,384 0.964,385 0.996,386 0.829,387 0.975,388 1.198,389 1.022,390 0.781,391 0.926,392 0.918,393 0.959,394 0.789,395 0.978,396 5,397 0.23,398 3.333,399 2.799,400 2.261,401 1.24,402 0.651,403 0.607,404 0.359,405 0.225,406 14468,407 41697,408 2.082,409 42.9,410 10,411 13,413 1,415 1.747,416 1.959,417 3.571,418 -0.805,419 86.961,420 1.553,421 3.053,422 3.828,423 4.58,424 4.7,425 4.7,426 3.031,427 4,428 4.962,429 3.786,430 1877.63,431 8.701,432 27739.5,433 325.212,434 1.366,435 4.936,436 0.143,437 0.008,438 0.069,439 0.056,440 0.048,441 0.025,442 0.014,443 0.015,444 0.01,445 0.007,446 0.396,447 0.33,448 0.75,449 0.531,450 168.581,451 0.047,452 -0.012,453 0.021,454 -0.007,455 -0.009,456 0.009,457 0.136,458 -0.266,459 0.017,460 -0.136,461 0.037,462 -0.12,463 0.028,464 -0.057,465 0.006,466 -0.02,467 0.002,468 0.014,469 -0.048,470 0.053,471 -0.047,472 0.011,473 0.088,474 0.019,475 -0.052,476 0.071,477 0.027,478 0.028,479 -0.041,480 0.027,481 -0.091,482 -0.026,483 -0.033,484 -0.039,485 -0.163,486 -0.087,487 0.062,488 -0.043,489 0.075,490 0.007,491 -0.016,492 -0.032,493 0.125,494 0.014,495 0.116,496 0.055,497 0.102,498 0.05,499 2.03,500 6.342,501 0.719,502 39.078,503 1.002,504 1.112,505 5.92,506 35.046,507 0.71,508 3.584,509 3.892,510 4.174,511 4.454,512 4.7,513 4.745,514 4.875,515 4.99,516 5.03,517 4.963,518 7.432,519 0.669,520 467.42,521 3.584,522 5.118,523 5.969,524 6.847,525 7.724,526 8.617,527 9.51,528 10.413,529 11.317,530 12.228,531 3.6,534 2,536 13,537 5,538 18,540 2,541 56,542 20,543 3,544 35,545 59,546 26,547 18,548 5,549 13,551 4,552 4,553 2,558 1,559 5,561 20,562 6,563 1,564 2,565 2,567 2,569 24,570 4,571 6,572 2,573 2,574 2,575 3,580 4,584 2,586 32,587 5,590 1,591 2,596 2,597 3.6,598 2,600 16.333,601 9.936,602 7.111,603 3.575,604 2.111,605 1.278,606 0.985,607 7.386,608 9.695,609 3.85,610 4.388,611 4.892,612 5.4,613 5.9,614 5.914,615 6.219,616 6.538,617 6.733,618 6.824,619 1,620 50,621 11.913,622 5.145,623 7.773,624 22.72,625 18.866,626 2.273,627 72.722,629 282.506,630 160.973,631 6.004,632 78.297,633 50.29,636 160.973,637 411.094,638 6.004,640 18.676,641 123.191,642 59.699,643 15.7,645 282.506,646 78.297,647 282.506,648 166.977,649 50.29,650 78.297,651 282.506,652 50.29,654 18.676,655 148.301,656 78.297,658 282.506,659 56.293,660 239.271,661 282.506,662 37.782,663 129.195,665 128.587,666 282.506,667 56.293,668 239.271,669 0.575,670 0.336,671 0.184,672 0.107,673 22,674 10,675 0.136,676 8,677 4.33,678 290.12,679 23,680 128,682 22.692,683 10.415,684 5.301,685 56.293,686 24.197,687 3.659,688 578.071,689 46,690 26.683,692 -0.425,693 56.109,694 62.286,695 0.267,696 0.526,697 0.659,698 0.789,699 5.078,700 1.642,701 5.943,702 4.827,703 4.575,704 5.075,705 2.641,706 6.76,707 4.506,708 6.257,709 1.488,710 7.503,711 4.232,712 4.111,713 4.705,714 2.179,715 7.719,716 3.937,717 7.543,718 1.296,719 9.171,720 3.444,721 6.159,722 7.145,723 3.76,724 10.887,725 6.031,726 8.862,727 1,728 10.908,729 2.985,730 6.567,731 7.55,732 3.84,733 12.787,734 6.363,735 10.215,736 1,737 12.693,738 2.275,739 8.071,740 9.472,741 5.063,742 15.506,743 7.889,744 11.593,745 4.495} {0 CHEMBL373076,1 0.816,2 0.816,3 0.625,4 1.534,5 13.485,6 7.684,7 59.039,8 132.266,9 8.16,10 0.5,11 4.154,12 4.262,13 3.802,14 3.788,15 5.227,16 3.739,17 4.697,18 4.851,19 4.186,20 4.186,21 5.733,22 4.108,23 5.023,24 5.238,25 4.268,26 4.307,27 6.052,28 4.207,29 5.028,30 5.249,31 4.172,32 4.261,33 6.143,34 4.167,35 5.025,36 5.236,37 4.197,38 4.28,39 6.13,40 4.199,41 5.057,42 5.26,43 4.211,44 4.322,45 6.16,46 4.215,47 5.052,48 5.274,49 4.243,50 4.307,51 6.124,52 4.166,53 4.969,54 5.211,55 4.12,56 4.203,57 5.976,58 4.035,59 0.026,60 0.768,61 10.473,62 5.418,63 6.403,64 7.086,65 0.126,66 1.293,67 20.956,68 9.47,69 21.829,70 12.624,71 0.363,72 1.698,73 38.785,74 13.486,75 48.578,76 17.752,77 0.459,78 1.711,79 38.788,80 13.13,81 84.735,82 17.024,83 0.407,84 1.692,85 34.464,86 13.031,87 69.942,88 16.765,89 0.432,90 1.688,91 36.354,92 14.016,93 79.398,94 17.757,95 0.472,96 1.647,97 40.333,98 14.802,99 89.104,100 19.1,101 0.44,102 1.503,103 40.824,104 14.084,105 78.56,106 18.565,107 17,108 49,109 0.248,110 0.491,111 0.614,112 0.742,113 0.775,114 0.775,115 3.532,116 1.002,117 -7.35,118 -7.13,119 -6.59,120 45.8,122 6,123 1,128 13,129 1,130 4,132 2,133 17,134 8,135 22,136 2,137 12,138 20,139 12,140 13,142 14,143 20,145 10,146 23,148 6,149 20,150 6,151 19,152 4,153 17,154 2206,155 22.449,156 22.449,157 22.449,158 22.449,159 22.449,160 19.984,161 22.044,162 13.541,163 22.813,164 17.762,165 17.762,166 17.762,167 17.762,168 17.762,169 14.123,170 26.64,171 6.474,172 18.447,173 4.349,174 2.846,175 2.082,176 1.293,177 1.085,178 1.085,179 4.227,180 2,182 1,183 960,184 3.317,185 102.009,186 364.902,187 1.956,188 34.015,189 0.75,190 0.67,191 0.67,192 0.7,193 0.5,194 0.83,195 1,196 0.73,197 69.667,198 445,199 4.561,200 4.137,201 7.184,202 4.376,203 3.402,204 3.902,205 2.166,206 12.58,207 3.31,208 4.027,209 3.394,210 6.022,211 3.596,212 2.641,213 3.624,214 1.722,215 8.387,216 2.529,217 3.936,218 3.009,219 6.008,220 3.567,221 2.589,222 3.444,223 0.215,224 8.374,225 2.52,226 3.896,227 2.933,228 5.34,229 3.522,230 2.522,231 3.394,232 0.109,233 6.965,234 2.516,235 3.518,236 2.777,237 5.135,238 3.147,239 2.239,240 2.79,242 6.15,243 1.974,244 3.498,245 2.718,246 5.096,247 3.09,248 2.18,249 2.734,251 6.084,252 1.947,253 3.123,254 2.388,255 4.816,256 2.783,257 1.786,258 2.243,259 4.827,260 1.77,261 2.965,262 1.936,263 4.56,264 2.647,265 1.642,266 2.12,267 4.235,268 1.572,269 2.796,270 1.704,271 3.847,272 2.52,273 1.526,274 1.817,275 3.555,276 1.51,277 2.55,278 1.504,279 3.637,280 2.328,281 1.354,282 1.555,283 3.092,284 1.29,285 2.5,286 1.456,287 3.414,288 2.02,289 1.025,290 1.5,291 2.283,292 1.009,293 2.5,294 1,295 3.414,296 2,297 1,298 1.5,299 2.275,300 1,301 2.5,302 1,303 3.389,304 2,305 1,306 1.5,307 2.275,308 1,309 2.18,310 1,311 3.247,312 2,313 1,314 1.121,315 2.136,316 1,317 1.753,318 0.997,319 3.102,320 1.49,321 0.465,322 0.532,323 1.056,324 0.47,325 16.395,326 0.497,327 0.716,328 0.022,329 42,330 1.273,331 22,332 0.667,333 20,334 0.606,335 31.084,336 0.942,337 34.605,338 0.587,339 31.951,340 0.968,341 7.837,342 0.237,343 8.205,344 0.249,345 0.128,347 0.293,349 0.516,350 1.125,351 0.589,352 0.908,353 0.493,354 0.893,355 0.536,356 1.347,357 0.684,358 1.048,359 0.531,360 1.043,361 0.951,362 1.087,363 0.876,364 0.956,365 0.924,366 0.931,367 1.159,368 0.995,369 0.863,370 0.909,371 1.08,372 0.911,373 1.155,374 0.959,375 0.878,376 1.408,377 0.896,378 1.239,379 1.007,380 0.755,381 0.966,382 1.639,383 1.016,384 0.95,385 0.992,386 0.821,387 0.968,388 1.177,389 1.011,390 0.771,391 0.965,392 0.926,393 0.992,394 0.791,395 1.012,396 5,397 0.193,398 3.333,399 2.799,400 2.261,401 1.24,402 0.692,403 0.607,404 0.31,405 0.222,406 16219,407 45396,408 2.079,409 44.1,410 12,411 13,413 1,415 1.753,416 1.96,417 3.649,418 -0.811,419 90.483,420 1.534,421 3.036,422 3.801,423 4.59,424 4.798,425 4.798,426 3.075,427 3.965,428 5.006,429 3.878,430 2047.36,431 8.78,432 31415.6,433 347.076,434 1.35,435 4.982,436 0.139,437 0.007,438 0.068,439 0.055,440 0.047,441 0.025,442 0.015,443 0.014,444 0.009,445 0.007,446 0.386,447 0.33,448 0.75,449 0.522,450 176.638,451 0.049,452 -0.013,453 0.022,454 -0.007,455 -0.004,456 0.009,457 0.138,458 -0.263,459 0.017,460 -0.136,461 0.042,462 -0.12,463 0.04,464 -0.052,465 0.02,466 -0.011,467 0.014,468 0.024,469 -0.032,470 0.052,471 -0.032,472 0.016,473 0.1,474 0.028,475 -0.037,476 0.07,477 0.037,478 0.033,479 -0.025,480 0.036,481 -0.077,482 -0.021,483 -0.02,484 -0.029,485 -0.143,486 -0.07,487 0.071,488 -0.038,489 0.081,490 0.012,491 -0.002,492 -0.021,493 0.124,494 -0.024,495 0.096,496 0.015,497 0.089,498 0.008,499 2.023,500 6.361,501 0.697,502 42.441,503 1,504 1.114,505 6.115,506 37.399,507 0.704,508 3.611,509 3.912,510 4.19,511 4.466,512 4.71,513 4.754,514 4.883,515 4.99,516 5.017,517 4.949,518 7.883,519 0.661,520 481.45,521 3.611,522 5.142,523 5.989,524 6.864,525 7.738,526 8.629,527 9.52,528 10.421,529 11.323,530 12.232,531 3.4,534 2,536 13,537 5,538 18,540 2,541 59,542 20,543 3,544 36,545 62,546 27,547 18,548 5,549 13,551 4,552 4,553 2,558 1,559 6,561 20,562 7,563 1,564 2,565 2,567 2,569 26,570 4,571 6,572 2,573 2,574 2,575 3,580 4,584 2,586 33,587 6,590 1,591 2,596 2,597 3.4,598 2,600 16.833,601 10.436,602 7.361,603 3.825,604 2.085,605 1.274,606 0.981,607 7.948,608 9.71,609 3.871,610 4.401,611 4.9,612 5.404,613 5.903,614 5.917,615 6.221,616 6.537,617 6.72,618 6.808,619 0.889,620 51,621 12.292,622 5.288,623 7.749,624 23.536,625 19.532,626 2.249,627 74.222,629 306.049,630 163.508,631 6.004,632 78.297,633 50.29,636 163.508,637 434.636,638 6.004,640 21.211,641 123.191,642 59.699,643 15.7,645 306.049,646 78.297,647 306.049,648 169.512,649 50.29,650 78.297,651 306.049,652 50.29,654 21.211,655 148.301,656 78.297,658 306.049,659 56.293,660 241.805,661 306.049,662 40.317,663 129.195,665 128.587,666 306.049,667 56.293,668 241.805,669 0.573,670 0.334,671 0.183,672 0.106,673 22,674 10,675 0.145,676 9,677 4.448,678 298.902,679 23,680 134.465,682 23.658,683 11.086,684 5.714,685 56.293,686 24.318,687 3.704,688 604.147,689 47,690 26.723,692 -0.414,693 58.992,694 65.701,695 0.261,696 0.516,697 0.646,698 0.78,699 5.097,700 1.642,701 5.958,702 4.827,703 4.595,704 5.088,705 2.641,706 6.77,707 4.528,708 6.271,709 1.526,710 7.514,711 4.235,712 4.111,713 4.705,714 2.179,715 7.719,716 3.937,717 7.553,718 1.354,719 9.179,720 3.555,721 6.172,722 7.15,723 3.76,724 10.888,725 6.045,726 8.869,727 1.025,728 10.913,729 3.092,730 6.567,731 7.55,732 3.84,733 12.787,734 6.363,735 10.221,736 1,737 12.696,738 2.283,739 8.077,740 9.473,741 5.063,742 15.506,743 7.897,744 11.596,745 4.921}