@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1812

@attribute molecule_id {CHEMBL106126,CHEMBL1240685,CHEMBL131051,CHEMBL131588,CHEMBL133897,CHEMBL2022676,CHEMBL218693,CHEMBL254196,CHEMBL339297,CHEMBL484853}
@attribute ARR numeric
@attribute ATS3i numeric
@attribute ATSC1m numeric
@attribute ATSC1v numeric
@attribute ATSC2m numeric
@attribute ATSC2v numeric
@attribute ATSC3m numeric
@attribute ATSC3v numeric
@attribute ATSC5m numeric
@attribute ATSC5s numeric
@attribute ATSC6e numeric
@attribute ATSC6s numeric
@attribute ATSC7m numeric
@attribute ATSC7v numeric
@attribute BAC numeric
@attribute BLI numeric
@attribute C. numeric
@attribute C.002 numeric
@attribute CATS2D_02_AA numeric
@attribute CIC1 numeric
@attribute DLS_05 numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP_A numeric
@attribute Eta_C_A numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute GATS1m numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS4s numeric
@attribute GATS7e numeric
@attribute GATS7p numeric
@attribute GGI3 numeric
@attribute H. numeric
@attribute JGI2 numeric
@attribute MATS1e numeric
@attribute MATS2e numeric
@attribute MATS2s numeric
@attribute MATS8e numeric
@attribute Mp numeric
@attribute MPC06 numeric
@attribute Mv numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute nCrs numeric
@attribute nCs numeric
@attribute nCsp3 numeric
@attribute nH numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NsssCH numeric
@attribute O. numeric
@attribute ON1V numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_v_1 numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SM02_EA.ed. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.ed. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_EA numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_EA numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_EA numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SRW10 numeric
@attribute SsOH numeric
@attribute SssssC numeric
@attribute TWC numeric
@attribute X1Av numeric
@attribute X2Av numeric
@attribute X4Av numeric
@attribute X5Av numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW 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 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 ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3p numeric
@attribute ATSC3s 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 ATSC5p numeric
@attribute ATSC5v numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v 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 BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C.001 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.014 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.019 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.028 numeric
@attribute C.031 numeric
@attribute C.033 numeric
@attribute C.038 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_08_PP numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_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.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.dm. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.dm. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.dm. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.dm. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.dm. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_betaP numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C 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_sh_p numeric
@attribute Eta_sh_x numeric
@attribute pXC50 numeric

@data
{2 4.878,3 9.952,4 5.528,5 19.041,6 9.397,7 24.576,8 11.963,9 27.165,10 111.378,11 0.314,12 43.442,13 18.349,14 7.902,15 38,16 1.04,17 34.1,18 2,19 4,20 2.655,21 1,22 6.306,23 9.296,24 5.506,25 6.922,26 4.932,27 2.911,28 5.452,29 0.882,30 0.237,31 1.075,32 0.15,33 6.065,34 0.319,35 0.885,36 0.531,37 1.24,38 1.164,39 1.726,40 0.898,41 2.542,42 53.7,43 0.092,44 0.113,45 0.295,46 0.165,47 -0.015,48 0.609,49 3.932,50 0.572,51 8.122,52 9.005,53 9.907,54 10.795,55 11.697,56 2,57 2,58 10,59 22,61 4,62 2,63 7.3,64 2.8,65 0.489,66 1.08,67 0.896,68 258.964,69 61.509,70 320.473,71 60.238,72 14.404,73 258.964,74 258.964,75 61.509,76 132.135,77 258.964,78 258.964,79 258.964,80 0.28,81 0.504,82 6.351,83 7.094,84 3.892,85 7.391,86 3.812,87 8.805,88 5.727,89 10.514,90 10.571,91 6.312,92 12.365,93 6.16,94 12.373,95 7.702,96 15.036,97 7.505,98 14.201,99 8.621,100 17.218,101 8.397,102 12.545,103 16.047,104 9.856,105 19.731,106 9.592,107 17.909,108 10.917,109 22.052,110 10.624,111 19.781,112 12.102,113 24.508,114 11.771,115 9.296,116 21.663,117 13.224,118 12.863,119 6.922,120 23.552,121 14.394,122 5.452,123 25.447,124 15.544,125 27.347,126 16.713,127 29.251,128 17.875,129 1.706,130 3.951,131 3.991,132 1.203,133 1.649,134 0.795,135 0.628,136 0.407,137 9.86,140 12.22,141 0.347,142 0.2,143 0.057,144 0.029,145 1.5,146 7.211,147 2.337,148 5.463,149 73.051,150 6.497,151 3.785,152 3.916,153 3.228,154 3.225,155 4.783,156 3.189,157 4.396,158 4.609,159 3.623,160 3.632,161 5.374,162 3.573,163 4.65,164 3.709,165 3.8,166 5.635,167 3.712,168 4.808,169 5.064,170 3.685,171 3.747,172 5.853,173 3.675,174 4.678,175 4.895,176 3.429,177 3.563,178 5.922,179 3.501,180 4.452,181 4.709,182 3.233,183 3.457,184 5.434,185 3.349,186 4.332,187 4.56,188 3.006,189 3.387,190 5.337,191 3.263,192 4.223,193 4.481,194 2.636,195 3.326,196 5.034,197 3.092,198 0.054,199 0.57,200 3.857,201 5.584,202 0.331,203 0.903,204 6.273,205 26.598,206 0.343,207 1.083,208 7.854,209 32.411,210 0.391,211 1.077,212 29.594,213 7.542,214 54.284,215 12.008,216 0.805,217 0.88,218 5.999,219 9.208,220 0.76,221 20.501,222 5.909,223 8.951,224 0.387,225 0.684,226 5.455,227 51.393,228 0.104,229 0.642,230 15.436,231 5.933,232 24.48,233 8.668,234 29,235 0.273,236 0.492,237 0.748,238 0.82,239 0.82,240 0.82,241 3.011,242 -3.88,243 -3.84,244 -3.65,245 4,246 2,249 2,255 1,256 1,264 1,265 1,271 1,274 6,276 6,281 6,284 3,285 6,291 2,295 15,301 2,304 2,305 8,316 6,323 4,327 2,333 6,337 2,344 6,355 4,358 403,359 12.121,360 12.121,361 12.121,362 12.121,363 12.121,364 11.611,365 15.463,366 6.897,367 12.328,368 9.793,369 9.793,370 9.793,371 9.793,372 9.793,373 8.847,374 13.787,375 3.204,376 10.081,377 3.858,378 1.251,379 0.854,380 0.854,381 0.854,382 3.654,384 1,385 1,386 1,387 278,388 3,390 54.367,391 64.697,395 1.086,396 23.939,397 1,398 1,399 1,400 1,401 1,402 1,403 1,404 1,405 1,406 42,407 137,408 4.538,409 4.556,410 6.908,411 4.238,412 3.269,413 3.931,414 2.72,415 11.431,416 3.165,417 3.992,418 3.638,419 3.785,420 2.82,421 3.159,422 1.632,423 2.711,424 3.398,425 3.226,426 3.339,427 2.351,428 2.413,429 0.945,430 2.32,431 3.161,432 2.796,433 1.937,434 2.216,435 0.461,436 1.879,437 2.97,438 2.529,439 4.779,440 2.76,441 1.771,442 1.969,443 0.069,444 4.86,445 1.726,446 2.518,447 1.948,448 4.285,449 2.339,450 1.351,451 1.473,453 3.446,454 1.329,455 2.18,456 1.874,457 3.617,458 2.119,459 1.137,460 1.162,462 2.596,463 1.114,464 1.971,465 1.223,466 3.44,467 1.642,468 0.613,469 0.736,471 1.616,472 0.621,473 1.081,474 0.703,475 2.523,476 0.796,477 -0.252,478 -0.29,480 -0.588,481 -0.26,482 0.609,483 0.211,484 2.341,485 0.571,486 -0.406,487 -0.408,489 -0.9,490 -0.394,491 0.52,492 -0.086,493 2,494 0.214,495 -0.767,496 -0.816,498 -2,499 -0.744,500 0.308,501 -0.274,502 2,503 0.197,504 -0.824,505 -1,507 -2.023,508 -0.834,510 -0.513,511 1.629,513 -1,514 -1.036,516 -2.074,517 -1,518 -0.15,519 -0.946,520 1.535,521 -0.353,522 -1.338,523 -1.372,525 -3.388,526 -1.313,527 -0.306,528 -1,529 1.327,530 -0.487,531 -1.483,532 -1.719,534 -4.196,535 -1.463,536 8.8,537 0.463,538 0.672,539 0.035,540 16.75,541 4.5,542 12.25,543 0.645,544 20.43,545 23,546 0.561,547 11.28,548 0.594,549 2.849,550 0.303,552 4.301}
{0 CHEMBL1240685,1 0.074,2 6.06,3 27.89,4 13.924,5 53.679,6 25.001,7 85.194,8 32.744,9 94.183,10 660.422,11 3.254,12 495.851,13 121.276,14 44.507,15 449,16 0.982,17 30.4,18 9,19 2,20 3.264,21 1,22 6.713,23 10.805,24 6.394,25 9.675,26 6.093,27 3.78,28 8.766,29 0.97,30 0.311,31 1.485,32 0.185,33 18.958,34 0.287,35 0.884,36 0.67,37 1.073,38 1.322,39 1.118,40 0.977,41 4.833,42 47.2,43 0.096,44 -0.15,45 0.124,46 0.084,47 0.006,48 0.622,49 5.1,50 0.6,51 9.181,52 10.04,53 10.91,54 11.775,55 12.647,56 6,57 18,58 24,59 59,60 2,61 14,62 9,63 10.4,64 7.047,65 0.556,66 1.065,67 0.883,68 516.023,69 361.961,70 877.984,71 426.046,72 19.542,73 547.971,74 516.023,75 361.961,76 495.844,77 516.023,78 516.023,79 516.023,80 0.26,81 0.531,82 7.403,83 8.174,84 4.934,85 8.333,86 4.896,87 9.842,88 6.823,89 11.399,90 11.566,91 7.314,92 13.132,93 7.213,94 13.327,95 8.699,96 15.739,97 8.547,98 15.113,99 9.525,100 17.809,101 9.356,102 13.477,103 16.917,104 10.73,105 20.258,106 10.517,107 18.735,108 11.709,109 22.483,110 11.469,111 20.564,112 12.85,113 24.877,114 12.57,115 10.805,116 22.402,117 13.901,118 13.588,119 9.675,120 24.247,121 15.021,122 8.766,123 26.099,124 16.107,125 27.956,126 17.224,127 29.817,128 18.33,129 1.695,130 4.02,131 4.072,132 1.237,133 1.871,134 1.218,135 1.16,136 1.013,137 10.84,138 19.479,140 13.191,141 0.327,142 0.177,143 0.056,144 0.03,145 1.808,146 21.848,147 -5.747,148 33.023,149 234.034,150 7.762,151 4.91,152 5.043,153 4.458,154 4.311,155 6.103,156 4.308,157 5.475,158 5.654,159 4.825,160 4.716,161 6.696,162 4.678,163 5.839,164 4.959,165 4.886,166 7.064,167 4.834,168 5.911,169 6.118,170 5.075,171 4.922,172 7.222,173 4.909,174 5.957,175 6.153,176 5.148,177 4.992,178 7.455,179 4.972,180 6.049,181 6.267,182 5.191,183 5.116,184 7.34,185 5.062,186 6.158,187 6.377,188 5.26,189 5.174,190 7.47,191 5.128,192 6.175,193 6.394,194 5.242,195 5.177,196 7.588,197 5.116,198 0.487,199 1.843,200 10.035,201 82.072,202 1.307,203 2.784,204 17.04,205 192.358,206 2.612,207 3.279,208 22.005,209 380.799,210 2.794,211 3.388,212 94.786,213 21.671,214 477.913,215 32.178,216 3.665,217 3.648,218 23.507,219 34.858,220 4.08,221 103.047,222 28.619,223 41.871,224 3.577,225 4.313,226 30.098,227 627.929,228 4.295,229 4.382,230 124.386,231 30.479,232 777.229,233 45.078,234 93,235 0.253,236 0.519,237 0.735,238 0.842,239 0.886,240 0.902,241 4.206,242 3.7,243 3.37,244 2.8,245 1,249 5,250 9,260 1,262 1,264 11,266 1,268 3,269 3,270 3,272 1,273 1,274 4,276 7,277 2,278 10,279 6,280 1,283 2,284 2,285 9,286 1,287 11,288 6,289 9,290 1,293 2,295 13,296 1,297 2,298 1,299 4,304 12,305 4,307 9,308 3,309 6,310 1,311 2,312 5,314 1,315 7,316 6,317 5,318 14,319 7,320 8,321 1,322 1,323 4,324 1,325 1,326 3,327 15,328 1,329 2,330 4,331 1,332 5,333 1,336 9,337 8,338 1,339 11,340 2,341 8,342 1,343 3,344 4,345 1,346 4,347 1,348 5,349 8,350 3,351 14,352 9,353 7,354 4,355 5,356 1,357 1,358 13910,359 42.603,360 42.603,361 42.603,362 42.603,363 42.603,364 40.368,365 48.834,366 24.957,367 43.156,368 33.247,369 33.247,370 33.247,371 33.247,372 33.247,373 29.358,374 45.549,375 11.556,376 34.089,377 5.158,378 1.722,379 0.96,380 0.646,381 0.534,382 4.875,387 2909,388 8.396,390 723.484,395 3.317,396 159.851,399 0.25,400 0.17,401 0.33,402 0.6,403 0.17,405 0.36,406 151.5,407 1442,408 4.303,409 3.974,410 6.749,411 4.148,412 3.181,413 3.529,414 2.376,415 10.94,416 3.071,417 4.244,418 3.923,419 4.09,420 3.124,421 3.429,422 2.031,423 3.013,424 4.136,425 3.882,426 3.978,427 3.001,428 3.374,429 2.013,430 2.923,431 3.98,432 3.784,433 2.795,434 3.294,435 1.996,436 2.746,437 3.944,438 3.769,439 6.022,440 3.76,441 2.775,442 3.116,443 1.967,444 8.578,445 2.723,446 3.927,447 3.684,448 5.986,449 3.681,450 2.699,451 3.103,452 1.951,453 8.391,454 2.647,455 3.796,456 3.647,457 5.883,458 3.603,459 2.625,460 2.981,461 1.929,462 7.988,463 2.552,464 3.776,465 3.591,466 5.796,467 3.506,468 2.509,469 2.925,470 1.912,471 7.61,472 2.497,473 3.689,474 3.517,475 5.385,476 3.384,477 2.409,478 2.851,479 1.899,480 6.925,481 2.336,482 3.553,483 3.511,484 5.142,485 3.255,486 2.244,487 2.712,488 1.886,489 6.058,490 2.257,491 3.532,492 3.501,493 5.018,494 3.217,495 2.189,496 2.694,497 1.886,498 5.796,499 2.233,500 3.508,501 3.237,502 4.894,503 3.185,504 2.159,505 2.667,506 0.65,507 5.248,508 2.196,509 3.15,510 3.233,511 4.674,512 2.95,513 1.969,514 2.17,515 0.614,516 5.159,517 1.912,518 3.04,519 2.783,520 4.65,521 2.784,522 1.8,523 2.046,524 0.399,525 4.948,526 1.755,527 2.993,528 2.604,529 4.627,530 2.774,531 1.787,532 2,533 0.313,534 4.585,535 1.742,536 30.2,537 0.458,538 1.995,539 0.03,540 64,541 20.5,542 43.5,543 0.659,544 98.028,545 79.6,546 0.637,547 82.707,548 1.253,549 12.219,550 0.255,552 4.796}
{0 CHEMBL131051,1 0.567,2 4.61,3 5.177,4 3.823,5 17.538,6 6.518,7 13.199,8 7.299,9 21.095,10 108.301,11 0.919,12 114.552,13 17.041,14 7.142,15 42,16 0.921,17 41.9,19 5,20 1.798,22 6.455,23 10.196,24 6.219,25 9.219,26 5.916,27 3.513,28 8.18,29 1.339,30 0.679,31 0.761,32 0.271,33 5.691,34 0.203,35 0.62,36 0.603,37 0.917,38 0.8,39 0.655,40 1.312,41 2.257,42 34.9,43 0.078,44 -0.031,45 0.676,46 0.543,47 0.256,48 0.691,49 4.466,50 0.687,51 8.463,52 9.329,53 10.222,54 11.094,55 11.988,58 3,59 15,63 4.7,64 2.26,65 2.898,66 1.402,67 0.968,68 176.567,69 36.145,70 212.711,71 58.593,72 71.864,73 208.786,74 176.567,75 81.025,76 36.145,77 221.447,78 186.384,79 176.567,80 0.364,81 0.669,82 6.703,83 7.449,84 4.29,85 7.828,86 3.905,87 9.142,88 6.146,89 10.812,90 10.894,91 6.735,92 12.667,93 6.157,94 12.68,95 8.128,96 15.234,97 7.549,98 14.489,99 9.026,100 17.364,101 8.271,102 13.058,103 16.313,104 10.255,105 19.794,106 9.47,107 18.148,108 11.286,109 22.041,110 10.359,111 19.991,112 12.454,113 24.42,114 11.475,115 10.196,116 21.841,117 13.545,118 12.449,119 9.219,120 23.696,121 14.691,122 8.18,123 25.555,124 15.809,125 27.417,126 16.95,127 29.283,128 18.08,129 1.946,130 4.021,131 4.063,132 1.079,133 1.537,134 0.676,135 0.316,136 0.218,137 10.189,139 -4.762,140 12.518,141 0.307,142 0.148,143 0.042,144 0.023,145 1.975,146 11.536,147 6.182,148 38.215,149 98.983,150 9.499,151 3.897,152 3.993,153 3.69,154 3.425,155 5.163,156 3.436,157 4.42,158 4.556,159 4.137,160 3.741,161 6.217,162 3.754,163 4.462,164 4.058,165 3.83,166 5.753,167 3.82,168 4.609,169 4.784,170 4.115,171 3.807,172 6.021,173 3.83,174 4.647,175 4.847,176 4.066,177 3.831,178 6.035,179 3.816,180 4.543,181 4.722,182 3.951,183 3.793,184 5.889,185 3.733,186 4.367,187 4.523,188 3.82,189 3.736,190 5.61,191 3.657,192 4.469,193 4.687,194 3.769,195 3.667,196 5.84,197 3.58,198 0.237,199 0.87,200 4.001,201 27.937,202 1.258,203 1.574,204 6.402,205 149.244,206 0.535,207 1.275,208 6.724,209 50.234,210 0.794,211 1.455,212 17.831,213 6.649,214 68.863,215 6.621,216 0.947,217 1.575,218 7.947,219 7.609,220 1.343,221 24.66,222 8.279,223 7.156,224 0.517,225 1.133,226 7.279,227 54.765,228 0.781,229 1.216,230 21.135,231 7.57,232 81.139,233 9.141,234 43,235 0.342,236 0.629,237 0.725,238 0.808,239 0.819,240 0.819,241 3.374,242 -5.57,243 -5.44,244 -5.08,248 2,253 1,257 9,258 1,259 2,261 1,265 1,267 1,271 1,274 8,276 8,281 8,284 2,285 10,291 4,294 2,295 14,301 1,305 10,312 2,315 2,316 10,323 4,326 1,327 7,333 4,337 2,344 7,348 2,355 9,358 1232,359 18.317,360 18.317,361 18.317,362 18.317,363 18.317,364 16.269,365 16.704,366 10.614,367 19.286,368 14.733,369 14.733,370 14.733,371 14.733,372 14.733,373 11.539,374 18.868,375 4.968,376 16.285,377 3.452,378 1.245,379 0.768,380 0.704,381 0.704,382 4.049,386 1,387 675,388 4.123,390 87.034,391 206.494,395 1.931,396 43.049,399 0.75,400 1,401 1,402 0.4,403 1,404 1,405 0.74,406 64.5,407 323,408 4.514,409 4.437,410 6.71,411 4.114,412 3.184,413 4.189,414 4.032,415 10.792,416 2.968,417 4.219,418 4.378,419 3.906,420 3.136,421 3.698,422 2.95,423 2.75,424 4.121,425 3.74,426 3.795,427 2.852,428 3.533,429 1.678,430 2.48,431 3.925,432 2.922,433 2.572,434 3.187,435 0.527,436 2.332,437 3.583,438 2.738,439 5.217,440 3.164,441 2.225,442 2.877,443 0.394,444 6.579,445 2.035,446 3.363,447 2.611,448 5.072,449 2.929,450 1.993,451 2.603,453 5.647,454 1.84,455 2.911,456 2.412,457 4.286,458 2.462,459 1.509,460 2.055,462 3.817,463 1.43,464 2.744,465 1.742,466 4.23,467 2.249,468 1.337,469 1.835,471 3.57,472 1.197,473 2.5,474 1.678,475 3.604,476 2,477 1,478 1.5,480 2.569,481 1,482 2.5,483 1.269,484 3.414,485 2,486 1,487 1.5,489 2.275,490 1,491 2.391,492 1.03,493 3.247,494 1.937,495 0.986,496 1.329,498 2.136,499 0.931,500 1.855,501 1,502 3.136,503 1.39,504 0.373,505 0.514,507 0.884,508 0.371,509 1.497,510 1,511 3.087,512 1.112,513 0.323,514 0.368,516 0.488,517 0.251,518 1.249,519 0.557,520 2.687,521 0.887,522 0.005,523 0.005,525 0.012,526 0.004,527 0.651,528 0.51,529 2.486,530 0.225,531 -0.75,532 -0.933,534 -1.609,535 -0.694,536 12.957,537 0.463,538 0.891,539 0.032,540 37.5,541 19,542 18.5,543 0.661,544 21.313,545 30.843,546 0.717,547 31.048,548 1.109,549 7.59,550 0.169,551 0.039,552 4.301}
{0 CHEMBL131588,1 0.567,2 4.691,3 3.766,4 3.608,5 13.675,6 6.206,7 21.123,8 7.489,9 16.298,10 80.019,11 0.83,12 99.248,13 17.479,14 6.733,15 40,16 0.936,17 42.9,19 5,20 1.748,21 0.5,22 6.396,23 9.953,24 6.219,25 9.221,26 5.916,27 3.518,28 8.191,29 1.313,30 0.661,31 0.812,32 0.264,33 5.848,34 0.209,35 0.563,36 0.583,37 0.852,38 0.701,39 0.693,40 1.109,41 1.882,42 33.3,43 0.083,44 -0.018,45 0.426,46 0.398,47 -0.046,48 0.717,49 4.511,50 0.706,51 8.445,52 9.312,53 10.203,54 11.079,55 11.972,58 3,59 14,61 1,63 2.4,64 2.254,65 2.728,66 1.384,67 0.978,68 164.795,69 25.145,70 229.089,71 58.593,72 59.121,73 197.015,74 164.795,75 70.025,76 70.025,77 209.676,78 172.555,79 164.795,80 0.377,81 0.676,82 6.686,83 7.439,84 4.29,85 7.806,86 3.892,87 9.128,88 6.138,89 10.775,90 10.875,91 6.723,92 12.631,93 6.142,94 12.658,95 8.112,96 15.189,97 7.533,98 14.464,99 9.004,100 17.317,101 8.255,102 13.044,103 16.286,104 10.23,105 19.741,106 9.452,107 18.119,108 11.255,109 21.985,110 10.341,111 19.961,112 12.42,113 24.361,114 11.455,115 9.953,116 21.809,117 13.504,118 12.428,119 9.221,120 23.663,121 14.648,122 8.191,123 25.52,124 15.761,125 27.382,126 16.898,127 29.246,128 18.025,129 1.961,130 4.02,131 4.063,132 1.078,133 1.531,134 0.696,135 0.335,136 0.218,137 10.167,139 -4.406,140 12.502,141 0.312,142 0.165,143 0.048,144 0.026,145 2.032,146 9.929,147 5.734,148 32.875,149 101.664,150 10.164,151 3.87,152 3.965,153 3.719,154 3.455,155 5.132,156 3.448,157 4.391,158 4.527,159 4.188,160 3.8,161 6.117,162 3.79,163 4.533,164 4.234,165 3.876,166 5.897,167 3.843,168 4.523,169 4.698,170 4.067,171 3.772,172 5.854,173 3.768,174 4.55,175 4.742,176 4.135,177 3.814,178 5.957,179 3.792,180 4.546,181 4.7,182 4.212,183 3.839,184 6.053,185 3.819,186 4.471,187 4.607,188 4.132,189 3.817,190 6.172,191 3.778,192 4.53,193 4.706,194 4.079,195 3.826,196 5.94,197 3.777,198 0.225,199 0.853,200 3.755,201 30.639,202 0.943,203 1.665,204 6.477,205 140.02,206 0.756,207 1.472,208 8.378,209 95.144,210 0.707,211 1.234,212 17.357,213 6.383,214 74.587,215 6.173,216 0.858,217 1.426,218 6.648,219 6.791,220 1.538,221 21.405,222 8.05,223 6.668,224 0.985,225 1.377,226 7.635,227 146.879,228 0.668,229 1.57,230 20.7,231 8.951,232 79.589,233 8.91,234 43,235 0.354,236 0.635,237 0.729,238 0.814,239 0.825,240 0.825,241 3.375,242 -6.57,243 -6.39,244 -5.93,248 1,249 1,252 1,257 9,258 1,259 2,261 1,265 1,267 1,271 1,274 8,276 6,281 10,284 2,285 8,291 6,294 2,295 13,301 2,305 10,312 2,316 12,323 4,327 8,333 4,337 1,344 8,349 2,355 9,358 1376,359 18.154,360 18.154,361 18.154,362 18.154,363 18.154,364 16.053,365 15.208,366 10.548,367 18.987,368 14.778,369 14.778,370 14.778,371 14.778,372 14.778,373 11.574,374 15.964,375 5.036,376 16.303,377 3.36,378 1.209,379 0.721,380 0.655,381 0.655,382 4.048,383 1,386 1,387 581,388 4.123,390 85.795,391 202.933,395 1.444,396 47.867,399 0.75,400 0.83,401 0.83,402 0.3,403 0.83,404 1,405 0.72,406 63.833,407 278,408 4.517,409 4.57,410 6.713,411 4.117,412 3.195,413 4.19,414 3.02,415 10.811,416 2.967,417 4.166,418 4.144,419 3.885,420 3.086,421 3.678,422 2.95,423 2.735,424 4.101,425 3.735,426 3.812,427 2.856,428 3.516,429 1.678,430 2.442,431 3.954,432 2.991,433 2.58,434 3.097,435 0.527,436 2.389,437 3.618,438 2.837,439 5.111,440 3.146,441 2.239,442 2.99,444 6.09,445 1.994,446 3.366,447 2.672,448 5.01,449 2.919,450 1.993,451 2.614,453 5.68,454 1.787,455 2.911,456 2.504,457 4.287,458 2.463,459 1.514,460 2.055,462 3.868,463 1.426,464 2.743,465 1.751,466 4.219,467 2.235,468 1.336,469 1.835,471 3.559,472 1.16,473 2.5,474 1.699,475 3.607,476 2,477 1,478 1.5,480 2.582,481 1,482 2.5,483 1.276,484 3.414,485 2,486 1,487 1.5,489 2.275,490 1,491 2.392,492 1.03,493 3.321,494 1.937,495 0.988,496 1.331,498 2.136,499 0.928,500 1.856,501 1,502 3.247,503 1.389,504 0.535,505 0.606,507 1.339,508 0.417,509 1.689,510 1,511 3.089,512 1.329,513 0.368,514 0.506,516 0.868,517 0.368,518 1.117,519 0.51,520 2.567,521 0.636,522 -0.205,523 -0.256,525 -0.456,526 -0.139,527 0.652,528 0.51,529 2.48,530 0.225,531 -0.749,532 -0.873,534 -1.609,535 -0.633,536 13.338,537 0.476,538 0.929,539 0.033,540 36.75,541 18.5,542 18.25,543 0.652,544 22.736,545 30.462,546 0.725,547 30.367,548 1.085,549 7.395,550 0.18,551 0.037,552 4.301}
{0 CHEMBL133897,1 0.48,2 4.587,3 6.961,4 4.073,5 14.034,6 6.654,7 17.189,8 7.97,9 17.332,10 40.434,11 0.516,12 41.012,13 13.543,14 6.749,15 7,16 0.871,17 43.6,19 6,20 2.018,22 5.534,23 7.495,24 5.347,25 6.965,26 5.176,27 3.105,28 6.396,29 1.348,30 0.696,31 0.648,32 0.284,33 4.723,34 0.205,35 0.69,36 0.644,37 0.968,38 0.809,39 0.856,40 1.089,41 1.257,42 41,43 0.054,45 0.343,46 0.183,47 -0.083,48 0.671,49 4.143,50 0.656,51 8.148,52 9.001,53 9.867,54 10.726,55 11.594,58 3,59 16,61 2,63 10.3,64 2.357,65 2.546,66 1.372,67 0.956,68 188.338,69 58.145,70 246.482,71 25.145,72 60.848,73 188.338,74 188.338,75 58.145,76 93.458,77 188.338,78 188.338,79 188.338,80 0.304,81 0.618,82 6.282,83 7.045,84 3.611,85 7.034,86 3.486,87 8.657,88 5.727,89 10.133,90 10.33,91 5.994,92 11.769,93 5.758,94 12.044,95 7.532,96 14.355,97 7.262,98 13.787,99 8.219,100 16.373,101 7.878,102 12.537,103 15.553,104 9.504,105 18.785,106 9.129,107 17.336,108 10.404,109 20.974,110 9.955,111 19.133,112 11.58,113 23.326,114 11.092,115 7.495,116 20.942,117 12.587,118 12.027,119 6.965,120 22.76,121 13.719,122 6.396,123 24.587,124 14.78,125 26.422,126 15.897,127 28.262,128 16.985,129 1.901,130 3.97,131 3.995,132 1.057,133 1.451,134 0.608,135 0.257,136 0.146,137 9.83,140 12.141,141 0.29,142 0.144,143 0.038,144 0.02,145 1.606,146 10.609,147 4.199,148 17.628,149 83.338,150 8.009,151 3.788,152 3.878,153 3.419,154 3.279,155 4.968,156 3.298,157 4.287,158 4.416,159 3.75,160 3.595,161 5.535,162 3.598,163 4.41,164 3.692,165 3.625,166 5.542,167 3.607,168 4.382,169 4.563,170 3.623,171 3.534,172 5.558,173 3.521,174 4.355,175 4.537,176 3.566,177 3.488,178 5.512,179 3.49,180 4.226,181 4.376,182 3.498,183 3.453,184 5.489,185 3.439,186 4.184,187 4.362,188 3.316,189 3.45,190 5.284,191 3.376,192 4.183,193 4.395,194 3.189,195 3.372,196 5.182,197 3.28,198 0.093,199 0.539,200 3.591,201 6.362,202 0.565,203 0.815,204 5.504,205 32.082,206 0.402,207 0.899,208 6.386,209 30.456,210 0.477,211 0.863,212 17.112,213 5.862,214 36.599,215 7.308,216 0.504,217 0.816,218 5.483,219 6.451,220 0.732,221 14.11,222 5.038,223 5.826,224 0.36,225 0.72,226 5.405,227 35.007,228 0.272,229 0.717,230 14.209,231 5.38,232 26.133,233 7.057,234 33,235 0.286,236 0.582,237 0.725,238 0.837,239 0.865,240 0.865,241 3.188,242 -4.65,243 -4.57,244 -4.3,245 1,249 2,257 9,258 1,259 2,265 2,271 1,274 8,276 6,281 9,284 2,285 6,291 4,294 2,295 11,301 2,304 1,305 7,312 5,315 2,316 5,323 7,326 1,327 4,333 8,337 6,344 4,349 9,355 2,358 742,359 15.87,360 15.87,361 15.87,362 15.87,363 15.87,364 14.057,365 19.146,366 9.754,367 16.283,368 12.353,369 12.353,370 12.353,371 12.353,372 12.353,373 9.61,374 26.222,375 4.607,376 12.906,377 3.679,378 1.212,379 0.583,380 0.43,381 0.43,382 3.872,385 1,386 1,387 520,388 2.646,390 64.321,391 156.834,395 1.713,396 22.115,398 1,399 1,400 1,401 1,402 0.6,403 1,404 1,405 0.8,406 51,407 244,408 4.339,409 3.881,410 6.507,411 4.029,412 3.079,413 3.807,414 2.319,415 10.204,416 2.914,417 3.964,418 3.067,419 3.573,420 2.615,421 3.45,422 1.747,423 2.514,424 3.869,425 3.014,426 3.453,427 2.468,428 3.34,429 1.151,430 2.416,431 3.457,432 2.724,433 2.159,434 2.662,435 0.333,436 2.033,437 3.191,438 2.431,439 4.768,440 2.738,441 1.772,442 2.332,443 0.129,444 4.953,445 1.689,446 2.916,447 1.726,448 3.902,449 2.483,450 1.493,451 2.083,453 3.174,454 1.476,455 2.693,456 1.647,457 3.633,458 2.23,459 1.245,460 1.77,462 2.91,463 1.22,464 2.5,465 1.407,466 3.477,467 2,468 1.042,469 1.5,471 2.368,472 1,473 2.254,474 1.052,475 3.247,476 1.971,477 1,478 1.177,480 2.136,481 0.955,482 1.971,483 1,484 3.124,485 1.802,486 0.834,487 0.928,489 1.685,490 0.802,491 1.82,492 0.956,493 3.077,494 1.505,495 0.599,496 0.71,498 1.398,499 0.536,500 1.042,501 0.803,502 2.532,503 0.594,504 -0.398,505 -0.422,507 -0.665,508 -0.381,509 0.913,510 -0.001,511 2.297,512 0.566,513 -0.405,514 -0.508,516 -0.969,517 -0.396,518 0.715,519 -0.093,520 2,521 0.457,522 -0.531,523 -0.719,525 -1.361,526 -0.523,527 0.569,528 -0.499,529 1.736,530 0.127,531 -0.852,532 -1.156,534 -1.892,535 -0.822,536 10.633,537 0.462,538 0.414,539 0.018,540 31,541 16,542 15,543 0.652,544 14.901,545 24.767,546 0.635,547 21.822,548 0.949,549 6.536,550 0.078,552 5}
{0 CHEMBL2022676,1 0.391,2 5.626,3 19.528,4 11.372,5 35.138,6 19.504,7 51.486,8 24.781,9 53.04,10 196.616,11 0.71,12 130.073,13 55.298,14 24.946,15 47,16 1,17 39.8,18 9,20 3.135,21 1,22 5.905,23 8.283,24 5.559,25 7.595,26 5.301,27 3.444,28 6.818,29 1.165,30 0.568,31 1.022,32 0.228,33 11.303,34 0.257,35 0.899,36 0.596,37 1.047,38 1.237,39 1.379,40 0.948,41 1.875,42 50,43 0.054,44 -0.051,45 0.144,46 0.091,47 0.078,48 0.642,49 4.489,50 0.604,51 8.582,52 9.399,53 10.227,54 11.05,55 11.881,57 11,58 13,59 44,61 10,62 2,63 5.7,64 5.569,65 1.957,66 1.257,67 0.937,68 459.073,69 111.58,70 570.653,71 119.398,72 25.371,73 459.073,74 459.073,75 111.58,76 182.206,77 459.073,78 459.073,79 459.073,80 0.227,81 0.515,82 6.732,83 7.53,84 4.111,85 7.338,86 4.093,87 9.099,88 6.225,89 10.382,90 10.726,91 6.382,92 11.812,93 6.329,94 12.39,95 7.928,96 14.335,97 7.844,98 14.079,99 8.486,100 16.131,101 8.396,102 12.889,103 15.787,104 9.769,105 18.449,106 9.655,107 17.509,108 10.543,109 20.43,110 10.418,111 19.242,112 11.696,113 22.663,114 11.551,115 8.283,116 20.984,117 12.59,118 12.431,119 7.595,120 22.733,121 13.679,122 6.818,123 24.488,124 14.64,125 26.249,126 15.701,127 28.014,128 16.699,129 1.786,130 3.992,131 4.028,132 1.256,133 1.989,134 1.128,135 1.108,136 0.919,137 10.245,140 12.455,141 0.333,142 0.186,143 0.059,144 0.032,145 1.467,146 20.045,147 5.262,148 27.691,149 169.977,150 6.828,151 4.525,152 4.656,153 3.988,154 4.045,155 5.608,156 4.005,157 5.065,158 5.246,159 4.284,160 4.41,161 6.129,162 4.329,163 5.389,164 4.329,165 4.53,166 6.401,167 4.425,168 5.412,169 5.657,170 4.319,171 4.508,172 6.444,173 4.408,174 5.411,175 5.647,176 4.455,177 4.525,178 6.676,179 4.439,180 5.44,181 5.672,182 4.417,183 4.546,184 6.567,185 4.464,186 5.448,187 5.683,188 4.418,189 4.543,190 6.599,191 4.462,192 5.41,193 5.636,194 4.406,195 4.533,196 6.655,197 4.445,198 0.062,199 1.216,200 8.341,201 14.267,202 0.34,203 1.895,204 13.924,205 56.396,206 0.711,207 2.352,208 17.321,209 108.792,210 0.621,211 2.353,212 53.113,213 17.042,214 105.955,215 24.669,216 1.023,217 2.359,218 17.497,219 25.293,220 2.438,221 54.599,222 17.305,223 24.817,224 0.761,225 2.422,226 17.401,227 136.137,228 0.979,229 2.346,230 53.107,231 17.345,232 184.935,233 24.585,234 58,235 0.219,236 0.497,237 0.671,238 0.793,239 0.836,240 0.846,241 3.809,242 -4.37,243 -4.31,244 -4.06,245 1,249 1,250 2,257 14,258 2,259 2,264 4,268 1,269 1,270 1,274 22,276 5,277 1,278 4,279 6,281 22,285 7,287 2,288 2,289 8,290 1,291 15,293 1,295 7,299 6,301 9,303 1,304 3,305 10,306 1,307 5,308 1,309 10,312 12,314 2,316 11,318 1,319 1,320 9,322 1,323 11,325 3,326 1,327 13,332 9,333 14,335 2,336 2,337 10,338 1,339 3,340 1,341 9,344 17,346 3,349 8,353 7,355 21,357 3,358 5324,359 29.681,360 29.681,361 29.681,362 29.681,363 29.681,364 26.833,365 27.616,366 18.617,367 29.881,368 22.743,369 22.743,370 22.743,371 22.743,372 22.743,373 18.472,374 28.109,375 8.965,376 23.037,377 4.993,378 1.972,379 1.157,380 0.872,381 0.804,382 4.493,386 1,387 1826,388 5.831,391 590.696,395 3.045,396 55.249,399 0.75,400 0.5,401 0.67,402 0.9,403 0.67,404 0.5,405 0.71,406 95,407 882,408 4.106,409 3.814,410 6.16,411 3.915,412 2.928,413 3.649,414 1.985,415 9.102,416 2.882,417 4.065,418 3.658,419 3.724,420 2.729,421 3.482,422 1.925,423 2.71,424 3.973,425 3.598,426 3.671,427 2.7,428 3.463,429 1.907,430 2.62,431 3.82,432 3.49,433 2.448,434 3.164,435 1.886,436 2.437,437 3.742,438 2.901,439 5.262,440 3.403,441 2.409,442 2.975,443 0.86,444 6.735,445 2.393,446 3.677,447 2.742,448 5.248,449 3.335,450 2.344,451 2.909,452 0.343,453 6.582,454 2.32,455 3.52,456 2.716,457 5.014,458 3.182,459 2.179,460 2.708,461 0.149,462 5.94,463 2.166,464 3.308,465 2.425,466 4.709,467 2.934,468 1.935,469 2.497,470 0.14,471 5.182,472 1.908,473 2.934,474 2.057,475 4.104,476 2.817,477 1.82,478 2.088,480 3.649,481 1.811,482 2.913,483 1.953,484 3.84,485 2.527,486 1.523,487 2.075,489 3.568,490 1.523,491 2.848,492 1.875,493 3.715,494 2.484,495 1.481,496 1.851,498 3.161,499 1.484,500 2.517,501 1.572,502 3.57,503 2.393,504 1.414,505 1.5,507 2.908,508 1.38,509 2.5,510 1.492,511 3.434,512 2.218,513 1.23,514 1.5,516 2.737,517 1.206,518 2.5,519 1.49,520 3.414,521 2,522 1,523 1.5,525 2.275,526 1,527 2.5,528 1.304,529 3.398,530 2,531 1,532 1.463,534 2.136,535 1,536 20.767,537 0.472,538 0.838,539 0.019,540 51.25,541 25,542 26.25,543 0.597,544 44.983,545 49.433,546 0.562,547 47.161,548 1.072,549 10.03,550 0.108,552 4.174}
{0 CHEMBL218693,1 0.222,2 5.196,3 11.968,4 7.17,5 22.932,6 13.496,7 34.205,8 19.509,9 46.732,10 124.874,11 0.977,12 145.631,13 26.845,14 12.228,15 51,16 1,17 40,18 4,19 1,20 2.616,21 1,22 7.194,23 12.047,24 6.693,25 10.481,26 6.213,27 3.532,28 8.947,29 0.969,30 0.354,31 1.281,32 0.14,33 7.837,34 0.327,35 0.906,36 0.801,37 1.032,38 1.016,39 1.54,40 1,41 3.5,42 52,43 0.109,44 -0.062,45 0.134,46 0.107,47 -0.068,48 0.634,49 5.226,50 0.594,51 8.856,52 9.833,53 10.823,54 11.804,55 12.795,56 5,57 5,58 13,59 26,60 2,61 4,62 3,63 8,64 3.364,65 1.325,66 1.17,67 0.892,68 282.506,69 121.512,70 404.018,71 117.703,72 20.557,73 282.506,74 282.506,75 121.512,76 145.054,77 282.506,78 282.506,79 282.506,80 0.232,81 0.536,82 7.098,83 7.771,84 4.635,85 8.722,86 4.597,87 9.62,88 6.422,89 11.918,90 11.538,91 7.294,92 14.337,93 7.245,94 13.502,95 8.713,96 17.222,97 8.656,98 15.498,99 9.867,100 19.913,101 9.813,102 13.437,103 17.519,104 11.199,105 22.739,106 11.139,107 19.56,108 12.46,109 25.52,110 12.401,111 21.616,112 13.78,113 28.34,114 13.717,115 12.047,116 23.685,117 15.086,118 15.02,119 10.481,120 25.764,121 16.412,122 8.947,123 27.851,124 17.737,125 29.945,126 19.072,127 32.045,128 20.409,129 1.81,130 4.135,131 4.151,132 1.27,133 1.709,134 0.996,135 0.736,136 0.469,137 10.816,138 21.412,139 -0.782,140 13.261,141 0.333,142 0.195,143 0.054,144 0.029,145 1.311,146 7,147 4.337,148 18.805,149 90.855,150 6.609,151 4.003,152 4.11,153 3.463,154 3.548,155 5.007,156 3.505,157 4.63,158 4.798,159 3.971,160 4.07,161 5.554,162 4.008,163 5.019,164 4.208,165 4.367,166 6.011,167 4.283,168 5.283,169 5.509,170 4.223,171 4.434,172 6.239,173 4.327,174 5.273,175 5.501,176 4.103,177 4.301,178 6.383,179 4.19,180 5.105,181 5.345,182 3.7,183 3.992,184 6.238,185 3.867,186 4.714,187 4.964,188 3.173,189 3.681,190 5.651,191 3.507,192 4.496,193 4.802,194 2.721,195 3.414,196 5.301,197 3.171,198 0.048,199 0.657,200 5.588,201 11.913,202 0.195,203 1.182,204 10.157,205 28.663,206 0.235,207 1.695,208 14.558,209 51.263,210 0.398,211 2.01,212 45.974,213 17.209,214 74.722,215 23.531,216 0.719,217 1.877,218 15.906,219 21.738,220 1.459,221 40.893,222 12.201,223 16.543,224 0.451,225 1.039,226 8.863,227 67.223,228 0.275,229 0.837,230 21.183,231 7.346,232 47.765,233 10.674,234 45,235 0.225,236 0.519,237 0.704,238 0.806,239 0.813,240 0.82,241 3.232,242 -4.67,243 -4.59,244 -4.31,245 4,246 2,247 2,250 1,257 1,258 3,259 2,264 1,274 16,276 4,279 2,281 23,285 7,288 1,289 6,291 22,295 7,299 8,301 15,305 8,307 2,309 7,312 11,316 3,318 2,320 6,323 11,327 1,332 3,333 9,337 2,344 7,355 6,358 632,359 15.357,360 15.357,361 15.357,362 15.357,363 15.357,364 14.471,365 15.513,366 8.165,367 15.502,368 13.212,369 13.212,370 13.212,371 13.212,372 13.212,373 11.731,374 19.276,375 3.741,376 13.471,377 4.333,378 1.54,379 0.94,380 0.9,381 0.86,382 3.915,385 1,386 1,387 362,388 3.606,391 189.507,394 262.114,395 1.167,396 36.067,398 1,399 1,400 1,401 1,402 1,403 1,404 1,405 1,406 52,407 168,408 4.983,409 4.333,410 8.39,411 4.873,412 3.878,413 4.444,414 2.501,415 16.936,416 3.859,417 4.426,418 3.396,419 4.215,420 3.225,421 3.778,422 0.867,423 3.194,424 4.109,425 3.336,426 3.95,427 2.962,428 3.226,429 0.216,430 2.923,431 3.716,432 3.009,433 2.564,434 2.934,436 2.486,437 3.564,438 2.923,439 5.838,440 3.291,441 2.319,442 2.796,444 7.546,445 2.234,446 3.087,447 2.457,448 5.201,449 2.781,450 1.829,451 2.137,453 5.536,454 1.721,455 2.738,456 1.844,457 5.122,458 2.571,459 1.571,460 1.728,462 4.929,463 1.562,464 2.499,465 1.527,466 4.315,467 2.346,468 1.355,469 1.498,471 3.366,472 1.338,473 2.347,474 1.42,475 4.158,476 2.225,477 1.244,478 1.336,480 3.052,481 1.214,482 1.565,483 0.992,484 3.627,485 1.351,486 0.39,487 0.432,489 1.022,490 0.366,491 1.343,492 0.73,493 3.257,494 1.049,495 0.111,496 0.126,498 0.284,499 0.103,500 1.105,501 0.203,502 3.195,503 0.9,504 -0.078,505 -0.087,507 -0.23,508 -0.076,509 0.748,510 0.092,511 3,512 0.545,513 -0.463,514 -0.514,516 -1.242,517 -0.461,518 0.534,519 -0.274,520 2.973,521 0.42,522 -0.525,523 -0.551,525 -1.584,526 -0.493,527 0.192,528 -0.6,529 2.566,530 0.01,531 -0.973,532 -1,534 -2,535 -0.95,536 11.333,537 0.472,538 1.06,539 0.044,540 23.25,541 8.5,542 14.75,543 0.615,544 30.745,545 27.667,546 0.553,547 16.232,548 0.676,549 3.361,550 0.265,551 0.088,552 4.886}
{0 CHEMBL254196,2 5.143,3 12.222,4 6.968,5 23.408,6 11.503,7 33.602,8 14.479,9 33.934,10 155.87,11 1.147,12 154.227,13 30.304,14 11.909,15 55,16 0.966,17 36.4,18 5,19 1,20 2.241,21 1,22 6.679,23 10.705,24 6.292,25 9.084,26 6.028,27 3.512,28 8.528,29 0.893,30 0.25,31 1.045,32 0.175,33 8.504,34 0.304,35 0.814,36 0.654,37 1.11,38 1.411,39 1.195,40 1.026,41 2.576,42 49.1,43 0.095,44 -0.061,45 0.013,46 0.018,47 -0.117,48 0.62,49 4.644,50 0.598,51 8.649,52 9.597,53 10.56,54 11.524,55 12.499,56 4,57 10,58 13,59 27,60 1,61 5,62 5,63 12.7,64 3.411,65 0.615,66 1.087,67 0.874,68 294.278,69 151.118,70 445.395,71 114.464,72 11,73 294.278,74 294.278,75 151.118,76 109.977,77 294.278,78 294.278,79 294.278,80 0.263,81 0.612,82 6.838,83 7.552,84 4.443,85 8.327,86 4.292,87 9.335,88 6.267,89 11.448,90 11.197,91 7.04,92 13.721,93 6.796,94 13.111,95 8.458,96 16.521,97 8.186,98 15.06,99 9.552,100 19.071,101 9.22,102 13.084,103 17.035,104 10.865,105 21.795,106 10.498,107 19.028,108 12.088,109 24.446,110 11.671,111 21.037,112 13.385,113 27.155,114 12.929,115 10.705,116 23.057,117 14.66,118 14.16,119 9.084,120 25.087,121 15.962,122 8.528,123 27.124,124 17.26,125 29.168,126 18.568,127 31.217,128 19.878,129 1.633,130 4.08,131 4.084,132 1.287,133 1.671,134 0.973,135 0.758,136 0.526,137 10.475,138 10.854,139 -1.87,140 12.976,141 0.322,142 0.172,143 0.051,144 0.027,145 1.518,146 12.821,147 1.168,148 1.365,149 100.08,150 7.154,151 4.102,152 4.203,153 3.61,154 3.547,155 5.183,156 3.545,157 4.652,158 4.815,159 3.881,160 3.884,161 5.724,162 3.845,163 4.952,164 4.09,165 4.02,166 6.187,167 3.987,168 4.99,169 5.195,170 3.936,171 3.977,172 6.166,173 3.922,174 4.935,175 5.151,176 3.964,177 3.929,178 6.239,179 3.88,180 4.902,181 5.111,182 4.004,183 3.887,184 6.259,185 3.864,186 4.825,187 5.009,188 3.862,189 3.83,190 6.179,191 3.796,192 4.765,193 4.995,194 3.55,195 3.737,196 5.871,197 3.642,198 0.122,199 0.73,200 5.548,201 20.64,202 0.499,203 1.105,204 8.586,205 59.893,206 1.039,207 1.331,208 10.445,209 131.648,210 1.099,211 1.312,212 35.975,213 10.254,214 146.111,215 14.33,216 1.128,217 1.274,218 9.495,219 13.779,220 1.194,221 33.009,222 9.291,223 13.179,224 1.066,225 1.102,226 8.772,227 148.815,228 0.809,229 1.027,230 28.923,231 8.463,232 107.016,233 11.966,234 43,235 0.255,236 0.595,237 0.829,238 0.881,239 0.899,240 0.911,241 3.374,242 -1.39,243 -1.47,244 -1.52,245 1,248 1,250 5,251 1,254 4,263 1,264 2,274 8,276 1,278 1,279 3,281 7,284 2,285 5,287 4,289 1,291 6,294 1,295 3,297 1,298 1,299 1,301 6,304 2,305 3,307 4,309 1,312 5,315 4,316 3,318 2,320 2,323 4,326 4,327 5,332 2,333 3,336 1,337 6,341 2,344 2,349 6,353 2,355 1,358 1494,359 18.739,360 18.739,361 18.739,362 18.739,363 18.739,364 17.757,365 22.847,366 11.193,367 19.115,368 14.691,369 14.691,370 14.691,371 14.691,372 14.691,373 13.206,374 22.158,375 5.242,376 15.216,377 4.263,378 0.846,379 0.537,380 0.427,381 0.355,382 4.032,385 1,386 1,387 768,388 5.05,389 93.599,391 97.863,392 226.351,393 128.488,395 1.931,396 51.016,399 1,400 0.83,401 0.83,402 1,403 0.83,404 0.5,405 0.86,406 63.5,407 359,408 4.796,409 4.34,410 7.954,411 4.711,412 3.753,413 3.884,414 2.472,415 15.038,416 3.591,417 4.03,418 3.82,419 3.906,420 2.967,421 3.179,422 2.343,423 2.786,424 3.851,425 3.436,426 3.674,427 2.717,428 2.927,429 1.064,430 2.577,431 3.674,432 3.367,433 2.567,434 2.839,435 0.951,436 2.404,437 3.649,438 3.341,439 5,440 3.268,441 2.252,442 2.732,443 0.86,444 5.916,445 2.269,446 3.148,447 2.391,448 4.567,449 2.867,450 1.867,451 2.198,452 0.386,453 3.768,454 1.866,455 2.895,456 2.138,457 4.167,458 2.531,459 1.537,460 1.866,461 0.253,462 3.653,463 1.526,464 2.603,465 2.013,466 3.975,467 2.324,468 1.352,469 1.534,471 3.014,472 1.292,473 2.408,474 1.918,475 3.852,476 2.039,477 1.046,478 1.273,480 2.671,481 1.031,482 2.253,483 1.461,484 3.507,485 1.923,486 0.94,487 1.099,489 1.828,490 0.906,491 1.658,492 1.298,493 3.26,494 1.417,495 0.418,496 0.48,498 0.95,499 0.416,500 1.464,501 0.972,502 2.96,503 1.214,504 0.287,505 0.3,507 0.728,508 0.261,509 1.363,510 0.813,511 2.782,512 1.095,513 0.163,514 0.189,516 0.22,517 0.148,518 0.909,519 0.5,520 2.59,521 0.825,522 -0.153,523 -0.156,525 -0.305,526 -0.148,527 0.89,528 0.412,529 2.55,530 0.662,531 -0.341,532 -0.393,534 -0.845,535 -0.338,536 12.733,537 0.455,538 0.754,539 0.027,540 25,541 7,542 18,543 0.643,544 29.255,545 33.467,546 0.608,547 21.505,548 0.768,549 4.914,550 0.183,551 0.039,552 4.569}
{0 CHEMBL339297,1 0.414,2 4.828,3 9.292,4 5.368,5 18.253,6 9.258,7 20.784,8 11.452,9 26.528,10 61.688,11 0.426,12 57.888,13 14.148,14 7.372,15 41,16 0.873,17 41.7,19 6,20 2.079,21 0.5,22 6.499,23 10.158,24 6.05,25 8.692,26 5.439,27 3.47,28 7.156,29 1.287,30 0.648,31 0.798,32 0.258,33 5.816,34 0.215,35 0.745,36 0.608,37 0.991,38 0.802,39 0.695,40 1.328,41 2.194,42 43.8,43 0.09,44 -0.001,45 0.435,46 0.204,47 -0.183,48 0.66,49 4.382,50 0.639,51 8.424,52 9.285,53 10.166,54 11.03,55 11.91,58 5,59 21,63 8.3,64 2.676,65 2.546,66 1.354,67 0.934,68 235.422,69 72.29,70 307.712,71 54.995,72 50.547,73 235.422,74 235.422,75 72.29,76 72.29,77 235.422,78 235.422,79 235.422,80 0.286,81 0.628,82 6.688,83 7.441,84 4.29,85 7.854,86 4.245,87 9.146,88 6.133,89 10.829,90 10.915,91 6.746,92 12.775,93 6.663,94 12.724,95 8.139,96 15.351,97 8.032,98 14.562,99 9.067,100 17.591,101 8.958,102 13.045,103 16.421,104 10.305,105 20.055,106 10.18,107 18.296,108 11.368,109 22.409,110 11.241,111 20.184,112 12.553,113 24.845,114 12.418,115 10.158,116 22.082,117 13.674,118 13.538,119 8.692,120 23.989,121 14.845,122 7.156,123 25.903,124 15.993,125 27.823,126 17.162,127 29.748,128 18.325,129 1.929,130 4.008,131 4.037,132 1.087,133 1.601,134 0.585,135 0.469,136 0.336,137 10.179,139 0.034,140 12.449,141 0.291,142 0.169,143 0.04,144 0.021,145 1.597,146 12.444,147 4.468,148 19.961,149 99.435,150 7.655,151 3.971,152 4.079,153 3.554,154 3.469,155 5.15,156 3.47,157 4.485,158 4.642,159 3.945,160 3.846,161 5.7,162 3.829,163 4.666,164 3.956,165 4.002,166 5.857,167 3.948,168 4.874,169 5.119,170 3.861,171 3.983,172 5.99,173 3.897,174 4.73,175 4.964,176 3.693,177 3.834,178 5.855,179 3.749,180 4.475,181 4.693,182 3.514,183 3.619,184 5.569,185 3.553,186 4.248,187 4.417,188 3.505,189 3.524,190 5.475,191 3.469,192 4.408,193 4.636,194 3.326,195 3.466,196 5.585,197 3.39,198 0.082,199 0.684,200 4.353,201 7.601,202 0.602,203 1.051,204 6.963,205 41.32,206 0.269,207 1.28,208 8.665,209 29.717,210 0.571,211 1.4,212 30.664,213 10.101,214 65.692,215 14.285,216 0.475,217 1.174,218 9.045,219 12.222,220 0.904,221 20.532,222 7.073,223 9.233,224 0.27,225 0.812,226 5.52,227 21.932,228 0.536,229 0.845,230 19.609,231 5.739,232 70.307,233 7.739,234 42,235 0.271,236 0.596,237 0.687,238 0.744,239 0.758,240 0.758,241 3.339,242 -4.92,243 -4.83,244 -4.53,245 3,247 1,248 1,257 8,258 2,259 2,264 1,265 2,271 1,274 12,276 3,278 1,279 3,281 16,284 2,285 6,289 4,291 13,294 1,295 10,299 2,301 9,305 9,307 1,309 1,312 9,316 3,318 1,320 1,323 8,326 1,327 4,330 2,332 3,333 6,336 1,337 3,339 1,344 4,348 2,349 6,355 8,358 1112,359 17.582,360 17.582,361 17.582,362 17.582,363 17.582,364 15.744,365 24.106,366 10.016,367 17.791,368 14.217,369 14.217,370 14.217,371 14.217,372 14.217,373 11.283,374 30.617,375 4.656,376 14.543,377 3.988,378 1.542,379 1.209,380 1.126,381 1.126,382 4.013,385 1,386 1,387 706,388 3.808,390 88.569,391 199.139,395 2.058,396 28.694,398 1,399 1,400 1,401 1,402 0.8,403 1,404 1,405 0.9,406 59.5,407 336,408 4.449,409 3.879,410 7.111,411 4.315,412 3.315,413 3.895,414 2.319,415 11.658,416 3.315,417 4.328,418 3.586,419 4.022,420 3.071,421 3.777,422 1.747,423 2.912,424 4.123,425 3.52,426 3.812,427 2.813,428 3.452,429 1.058,430 2.802,431 3.886,432 3.04,433 2.49,434 3.309,435 0.333,436 2.433,437 3.508,438 2.758,439 5.241,440 3.153,441 2.191,442 2.756,443 0.129,444 6.576,445 2.102,446 3.245,447 2.388,448 4.807,449 2.82,450 1.825,451 2.382,453 5.067,454 1.81,455 3.134,456 2.151,457 4.663,458 2.71,459 1.718,460 2.277,462 4.891,463 1.685,464 2.625,465 1.494,466 4.05,467 2.18,468 1.173,469 1.604,471 3.259,472 1.172,473 2.5,474 1.422,475 3.875,476 2,477 1,478 1.5,480 2.694,481 1,482 2.5,483 1.208,484 3.414,485 2,486 1,487 1.5,489 2.275,490 1,491 2.202,492 1,493 3.414,494 1.93,495 0.948,496 1.118,498 2.275,499 0.921,500 1.511,501 1,502 2.888,503 1.253,504 0.379,505 0.405,507 0.537,508 0.327,509 1.255,510 0.78,511 2.709,512 0.929,513 -0.054,514 -0.066,516 -0.134,517 -0.052,518 0.977,519 0.502,520 2.627,521 0.515,522 -0.495,523 -0.646,525 -1.199,526 -0.496,527 0.919,528 -0.17,529 2.389,530 0.414,531 -0.625,532 -0.905,534 -1.516,535 -0.642,536 12.533,537 0.464,538 0.898,539 0.033,540 34.75,541 17.5,542 17.25,543 0.639,544 21.54,545 29.467,546 0.614,547 27.204,548 1.008,549 6.959,550 0.213,551 0.04,552 5}
{0 CHEMBL484853,1 0.231,2 5.211,3 12.623,4 7.533,5 22.967,6 13.928,7 34.804,8 20.235,9 51.863,10 155.021,11 1.112,12 200.816,13 29.58,14 14.252,15 69,16 1.032,17 38.5,18 5,20 2.737,21 1,22 7.183,23 11.981,24 6.653,25 10.33,26 6.038,27 3.37,28 8.033,29 0.938,30 0.354,31 1.32,32 0.137,33 7.846,34 0.327,35 0.981,36 0.856,37 1.069,38 0.968,39 1.121,40 0.899,41 3.813,42 53.8,43 0.116,44 -0.094,45 0.154,46 0.169,47 -0.083,48 0.625,49 4.868,50 0.581,51 8.721,52 9.675,53 10.646,54 11.604,55 12.576,56 5,57 5,58 13,59 28,60 3,61 5,62 2,63 7.7,64 3.442,65 1.306,66 1.179,67 0.858,68 294.278,69 153.195,70 447.473,71 154.105,72 9.557,73 294.278,74 294.278,75 153.195,76 153.195,77 294.278,78 294.278,79 294.278,80 0.227,81 0.52,82 7.006,83 7.689,84 4.575,85 8.664,86 4.547,87 9.54,88 6.344,89 11.842,90 11.463,91 7.231,92 14.285,93 7.198,94 13.433,95 8.639,96 17.159,97 8.607,98 15.436,99 9.799,100 19.855,101 9.766,102 13.374,103 17.463,104 11.123,105 22.673,106 11.09,107 19.508,108 12.383,109 25.45,110 12.349,111 21.568,112 13.695,113 28.263,114 13.661,115 11.981,116 23.64,117 14.994,118 14.96,119 10.33,120 25.72,121 16.312,122 8.033,123 27.809,124 17.63,125 29.903,126 18.956,127 32.002,128 20.284,129 1.797,130 4.107,131 4.129,132 1.274,133 1.723,134 0.999,135 0.739,136 0.469,137 10.636,138 31.485,139 -1.181,140 13.054,141 0.344,142 0.204,143 0.061,144 0.034,145 1.296,146 7.083,147 4.829,148 23.323,149 92.832,150 6.394,151 4.018,152 4.134,153 3.426,154 3.551,155 5.057,156 3.497,157 4.618,158 4.799,159 3.902,160 4.056,161 5.595,162 3.976,163 5.024,164 4.17,165 4.372,166 6.018,167 4.273,168 5.323,169 5.551,170 4.262,171 4.481,172 6.312,173 4.37,174 5.377,175 5.605,176 4.169,177 4.39,178 6.554,179 4.272,180 5.267,181 5.527,182 3.705,183 4.103,184 6.429,185 3.945,186 4.838,187 5.129,188 3.214,189 3.755,190 5.713,191 3.55,192 4.558,193 4.854,194 2.894,195 3.466,196 5.451,197 3.249,198 0.069,199 0.676,200 5.77,201 14.157,202 0.185,203 1.188,204 10.293,205 42.492,206 0.234,207 1.719,208 14.847,209 53.065,210 0.378,211 2.089,212 47.842,213 17.913,214 80.728,215 24.833,216 0.793,217 2.036,218 17.24,219 23.944,220 1.643,221 47.384,222 13.834,223 19.459,224 0.414,225 1.138,226 9.865,227 77.372,228 0.292,229 0.858,230 22.231,231 7.46,232 56.265,233 10.84,234 42,235 0.221,236 0.506,237 0.705,238 0.812,239 0.819,240 0.825,241 3.231,242 -4.67,243 -4.59,244 -4.31,245 4,246 2,247 2,257 1,258 3,259 2,264 1,272 1,273 1,274 18,275 1,276 1,278 1,279 3,281 26,282 3,285 3,288 1,289 9,291 25,292 4,295 4,299 13,300 1,301 20,302 5,305 5,307 1,308 1,309 13,310 1,312 14,313 1,316 1,318 1,319 1,320 7,323 11,324 1,327 1,332 4,333 9,334 2,337 2,341 2,344 7,355 6,358 676,359 15.117,360 15.117,361 15.117,362 15.117,363 15.117,364 14.154,365 14.102,366 8.123,367 15.175,368 12.684,369 12.684,370 12.684,371 12.684,372 12.684,373 11.157,374 14.337,375 3.649,376 12.812,377 4.405,378 1.573,379 0.943,380 0.904,381 0.866,382 3.895,385 1,386 1,387 353,388 3.873,391 134.243,394 149.154,395 1.181,396 38.422,398 1,399 1,400 1,401 1,402 1,403 1,404 1,405 1,406 52,407 170,408 4.946,409 4.274,410 8.37,411 4.843,412 3.845,413 4.415,414 2.397,415 16.808,416 3.838,417 4.425,418 3.395,419 4.202,420 3.211,421 3.766,422 0.242,423 3.183,424 4.099,425 3.32,426 3.95,427 2.961,428 3.21,430 2.923,431 3.63,432 2.932,433 2.374,434 2.883,436 2.36,437 3.451,438 2.491,439 5.434,440 3.141,441 2.174,442 2.708,444 6.567,445 2.093,446 2.862,447 2.386,448 5.064,449 2.574,450 1.577,451 1.837,453 4.61,454 1.569,455 2.623,456 1.678,457 4.656,458 2.513,459 1.51,460 1.629,462 3.78,463 1.492,464 2.481,465 1.502,466 4.25,467 2.338,468 1.353,469 1.474,471 3.254,472 1.329,473 2.101,474 1.176,475 3.776,476 1.993,477 1,478 1.071,480 2.36,481 0.987,482 1.501,483 0.754,484 3.309,485 1.257,486 0.331,487 0.368,489 0.825,490 0.301,491 1.106,492 0.528,493 3.229,494 0.934,495 -0.03,496 -0.031,498 -0.081,499 -0.029,500 0.97,501 0.181,502 3.049,503 0.82,504 -0.167,505 -0.186,507 -0.465,508 -0.164,509 0.646,510 -0.025,511 2.872,512 0.502,513 -0.489,514 -0.521,516 -1.321,517 -0.479,518 0.389,519 -0.303,520 2.546,521 0.01,522 -0.97,523 -1,525 -2,526 -0.944,527 0.187,528 -0.7,529 2.215,531 -1,532 -1,534 -2,535 -0.971,536 11.333,537 0.472,538 1.046,539 0.044,540 22.5,541 8.5,542 14,543 0.583,544 31.691,545 28.267,546 0.544,547 16.413,548 0.684,549 3.279,550 0.294,551 0.088,552 4.444}