@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5545

@attribute molecule_id {CHEMBL158897,CHEMBL175247,CHEMBL254788,CHEMBL255903,CHEMBL255904,CHEMBL257157,CHEMBL257548,CHEMBL257569,CHEMBL257570,CHEMBL257777,CHEMBL257778,CHEMBL257961,CHEMBL258162,CHEMBL258163,CHEMBL258164,CHEMBL402283,CHEMBL403167,CHEMBL403221,CHEMBL404541,CHEMBL404542,CHEMBL404652,CHEMBL443980,CHEMBL451312,CHEMBL453042,CHEMBL453043,CHEMBL453289,CHEMBL457232,CHEMBL457736,CHEMBL458090,CHEMBL458108,CHEMBL458622,CHEMBL458623,CHEMBL458827,CHEMBL458828,CHEMBL458972,CHEMBL473511,CHEMBL484215,CHEMBL484371,CHEMBL484392,CHEMBL484393,CHEMBL485841,CHEMBL486037,CHEMBL486039,CHEMBL486223,CHEMBL486427,CHEMBL504374,CHEMBL505359,CHEMBL506116,CHEMBL509860,CHEMBL514886,CHEMBL516323,CHEMBL519874,CHEMBL520034,CHEMBL520494,CHEMBL521038,CHEMBL521157,CHEMBL521191,CHEMBL521467}
@attribute SaasN numeric
@attribute SaaN numeric
@attribute GATS7e numeric
@attribute SpMin1_Bh.e. numeric
@attribute GATS1i numeric
@attribute MATS1i numeric
@attribute SaasC numeric
@attribute Eig01_AEA.ed. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SM15_EA numeric
@attribute ATS6s numeric
@attribute ATS7m numeric
@attribute ATS7s numeric
@attribute ATSC6s numeric
@attribute ATSC7m numeric
@attribute ATSC7s numeric
@attribute SpDiam_AEA.ri. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute SM02_AEA.dm. numeric
@attribute SpMax8_Bh.m. numeric
@attribute CATS2D_02_LL numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SaaCH numeric
@attribute SpMin1_Bh.m. numeric
@attribute GATS3s numeric
@attribute C. numeric
@attribute C.025 numeric
@attribute GNar numeric
@attribute MCD numeric
@attribute nAB numeric
@attribute nBM numeric
@attribute nCar numeric
@attribute piID numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute Rperim numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.v. numeric
@attribute TRS numeric
@attribute Uc numeric
@attribute SM15_EA.ed. numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATSC6m numeric
@attribute DLS_06 numeric
@attribute SM07_EA.bo. numeric
@attribute SM08_EA.bo. numeric
@attribute SM09_EA.bo. numeric
@attribute SM10_EA.bo. numeric
@attribute SM11_EA.bo. numeric
@attribute SM12_EA.bo. numeric
@attribute SM13_EA.bo. numeric
@attribute SM14_EA.bo. numeric
@attribute SM15_EA.bo. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMin4_Bh.s. numeric
@attribute X0Av numeric
@attribute X0A numeric
@attribute SpMax8_Bh.s. numeric
@attribute HNar numeric
@attribute ATS6m numeric
@attribute ATSC6i numeric
@attribute SpMin1_Bh.i. numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute SIC4 numeric
@attribute Eig08_EA.ri. numeric
@attribute LOC numeric
@attribute PW3 numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3p numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS5e numeric
@attribute ATS7p numeric
@attribute ATS7v numeric
@attribute ATS8p numeric
@attribute ATS8v numeric
@attribute ATSC2v numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3v numeric
@attribute ATSC4m numeric
@attribute ATSC4v numeric
@attribute ATSC5m numeric
@attribute ATSC7i numeric
@attribute ATSC8p numeric
@attribute Chi0_EA.bo. numeric
@attribute CIC3 numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.s. numeric
@attribute TIE numeric
@attribute X1A numeric
@attribute X1Per numeric
@attribute X2Av numeric
@attribute X2v numeric
@attribute X3v numeric
@attribute X4v numeric
@attribute X5Av numeric
@attribute Neoplastic.50 numeric
@attribute AECC numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1v numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8v numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute C.002 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_09_LL numeric
@attribute Chi1_EA.bo. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CMC.80 numeric
@attribute Depressant.80 numeric
@attribute DLS_07 numeric
@attribute Eig01_EA.bo. numeric
@attribute Eta_epsi numeric
@attribute Eta_L numeric
@attribute GATS1m numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2v numeric
@attribute H.046 numeric
@attribute Hypertens.80 numeric
@attribute IC1 numeric
@attribute Infective.80 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute MATS2i numeric
@attribute MATS2p numeric
@attribute MATS3v numeric
@attribute N. numeric
@attribute N.073 numeric
@attribute N.075 numeric
@attribute NaaN numeric
@attribute NaasN numeric
@attribute nAT numeric
@attribute nBT numeric
@attribute nCs numeric
@attribute nCsp3 numeric
@attribute Neoplastic.80 numeric
@attribute nH numeric
@attribute NssCH2 numeric
@attribute ON0V numeric
@attribute ON1V numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_v_1 numeric
@attribute PW2 numeric
@attribute RBN numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SAtot numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SM11_AEA.ri. numeric
@attribute Sp numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SssCH2 numeric
@attribute SssO numeric
@attribute Sv numeric
@attribute Uindex numeric
@attribute VAR numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute X0v numeric
@attribute X1Kup numeric
@attribute X1MulPer numeric
@attribute X1v numeric
@attribute piPC04 numeric
@attribute SM06_EA.bo. numeric
@attribute PW4 numeric
@attribute C.024 numeric
@attribute Eta_betaP numeric
@attribute NaaCH numeric
@attribute nBnz numeric
@attribute nCbH numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCsp2 numeric
@attribute NRS numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_MR_6 numeric
@attribute SM11_EA.ed. numeric
@attribute SM12_EA.ed. numeric
@attribute SM13_EA.ed. numeric
@attribute SM14_EA.ed. numeric
@attribute MATS3s numeric
@attribute SpMax2_Bh.m. numeric
@attribute Mi numeric
@attribute MATS3m numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMax7_Bh.s. numeric
@attribute D.Dtr05 numeric
@attribute SpMin3_Bh.p. numeric
@attribute ATS4m numeric
@attribute ATS4v numeric
@attribute ATS5m numeric
@attribute ATS5v numeric
@attribute ATSC2e numeric
@attribute ATSC6e numeric
@attribute BAC numeric
@attribute DELS numeric
@attribute GGI3 numeric
@attribute SM05_EA.bo. numeric
@attribute nR05 numeric
@attribute SRW05 numeric
@attribute SRW07 numeric
@attribute ATSC5e numeric
@attribute DBI numeric
@attribute DLS_03 numeric
@attribute SM09_EA.ed. numeric
@attribute SM10_EA.ed. numeric
@attribute X2A numeric
@attribute ATS4s numeric
@attribute ATS5s numeric
@attribute ATS5i numeric
@attribute ATS6e numeric
@attribute ATSC4p numeric
@attribute ATSC7p numeric
@attribute ATSC7v numeric
@attribute Eig01_EA.ri. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute BIC3 numeric
@attribute H.052 numeric
@attribute nCrs numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_5 numeric
@attribute BBI numeric
@attribute CATS2D_05_DL numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_EA.bo. numeric
@attribute MPC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute piPC01 numeric
@attribute SCBO numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.ri. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM06_AEA.ri. numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpMin2_Bh.i. numeric
@attribute TIC1 numeric
@attribute X3 numeric
@attribute X3sol numeric
@attribute X5 numeric
@attribute X5sol numeric
@attribute ZM2 numeric
@attribute SpMin3_Bh.e. numeric
@attribute D.Dtr06 numeric
@attribute PW5 numeric
@attribute BIC4 numeric
@attribute SpMAD_EA.ed. numeric
@attribute X4A numeric
@attribute GGI4 numeric
@attribute ATSC7e numeric
@attribute GATS7s numeric
@attribute nCb. numeric
@attribute SpMax1_Bh.p. numeric
@attribute X5A numeric
@attribute Eta_sh_y numeric
@attribute SpMax5_Bh.m. numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute nR06 numeric
@attribute Eta_sh_p numeric
@attribute XMOD numeric
@attribute SM08_EA.ed. numeric
@attribute SM13_EA numeric
@attribute SM14_EA numeric
@attribute SpMin3_Bh.m. numeric
@attribute X3Av numeric
@attribute SpMax4_Bh.m. numeric
@attribute ATS4p numeric
@attribute ATS5p numeric
@attribute ATS6i numeric
@attribute ATS6p numeric
@attribute ATSC5i numeric
@attribute ATSC5p numeric
@attribute ATSC5v numeric
@attribute ATSC6p numeric
@attribute ATSC6v numeric
@attribute Eig02_EA.bo. numeric
@attribute MATS1m numeric
@attribute SM12_AEA.ri. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin5_Bh.v. numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute BIC0 numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute IDE numeric
@attribute MSD numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMax3_Bh.i. numeric
@attribute GATS8m numeric
@attribute ATS2s numeric
@attribute ATS3s numeric
@attribute ATS8s numeric
@attribute ATSC2s numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute C.008 numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_07_LL numeric
@attribute DLS_02 numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eta_epsi_A numeric
@attribute GATS3v numeric
@attribute IDDE numeric
@attribute LLS_02 numeric
@attribute MATS1e numeric
@attribute MATS2v numeric
@attribute NaasC numeric
@attribute nN numeric
@attribute nO numeric
@attribute NssO numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_i_4 numeric
@attribute RBF numeric
@attribute SM03_AEA.ri. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SsCH3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute UNIP numeric
@attribute SpMax1_Bh.m. numeric
@attribute Eta_FL numeric
@attribute SM04_EA.bo. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute GATS1e numeric
@attribute ATS3m numeric
@attribute Eig09_EA numeric
@attribute SM03_AEA.dm. numeric
@attribute SPI numeric
@attribute Vindex numeric
@attribute Xindex numeric
@attribute Yindex numeric
@attribute P_VSA_LogP_2 numeric
@attribute HVcpx numeric
@attribute SRW09 numeric
@attribute SpMax6_Bh.m. numeric
@attribute ATS2m numeric
@attribute GGI10 numeric
@attribute ZM1Mad numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_v_3 numeric
@attribute DLS_05 numeric
@attribute SpMAD_AEA.ed. numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute X3A numeric
@attribute GATS3m numeric
@attribute X4sol numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_EA.bo. numeric
@attribute ATSC5s numeric
@attribute MATS1v numeric
@attribute SpMin6_Bh.p. numeric
@attribute ATS2p numeric
@attribute ATS2v numeric
@attribute ATSC2p numeric
@attribute ATSC3p numeric
@attribute Chi0_EA.ed. numeric
@attribute Psi_i_1 numeric
@attribute SpMin6_Bh.m. numeric
@attribute X5v numeric
@attribute ICR numeric
@attribute AMR numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute AAC numeric
@attribute CATS2D_02_AL numeric
@attribute D.Dtr04 numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eta_betaS numeric
@attribute H.053 numeric
@attribute IC0 numeric
@attribute nCrt numeric
@attribute nR04 numeric
@attribute NsssCH numeric
@attribute O.060 numeric
@attribute SM02_EA.dm. numeric
@attribute SM03_EA.dm. numeric
@attribute SM04_EA.dm. numeric
@attribute SM05_EA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SM07_EA.dm. numeric
@attribute SM08_EA.dm. numeric
@attribute SM09_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute SM11_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM13_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute SM15_EA.dm. numeric
@attribute SpAD_EA.dm. numeric
@attribute Eig03_AEA.bo. numeric
@attribute MATS1p 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.ri. numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin6_Bh.v. numeric
@attribute X1 numeric
@attribute X1Mad numeric
@attribute X1sol numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig03_EA.bo. numeric
@attribute piPC03 numeric
@attribute P_VSA_s_4 numeric
@attribute pXC50 numeric

@data
{3 1.798,4 1.849,5 1.543,6 -0.078,8 5.363,9 5.363,10 14.939,11 5.822,12 3.507,13 5.747,14 62.485,15 27.086,16 59.571,17 4.577,18 2.361,19 1.378,20 1.378,21 2.916,22 10,23 0.242,24 3.902,26 2.065,27 0.602,28 32.3,30 2.017,31 0.429,33 4,35 7.324,36 4.357,37 4.29,38 4.277,39 4.263,40 4.248,41 3.97,42 12,43 3.893,44 3.948,45 3.749,46 2.008,47 2.027,48 12,49 2.322,50 30.014,51 3.622,52 4.706,53 4.94,54 27.149,55 0.83,56 8.83,57 10.27,58 11.129,59 12.433,60 13.403,61 14.634,62 15.668,63 16.859,64 17.932,65 1.344,66 1.071,67 0.601,68 0.709,69 4.038,70 1.953,71 3.613,72 0.956,73 1.795,74 1.903,75 1.903,76 0.68,77 1.348,78 0.444,79 0.285,80 5.097,81 5.389,82 4.06,83 3.909,84 5.002,85 5.29,86 4.759,87 3.7,88 3.615,89 3.733,90 3.588,91 14.471,92 1.429,93 38.477,94 17.669,95 35.928,96 14.047,97 28.672,98 0.988,99 7.673,100 18.33,101 2.032,102 29.836,103 1.066,104 1.388,105 0.825,106 1.415,107 0.656,108 71.115,109 0.474,110 8.747,111 0.219,112 7.462,113 5.019,114 3.363,115 0.05,117 16.5,118 6.364,120 4.185,121 4.324,122 4.783,123 4.996,124 4.73,125 4.995,126 0.85,127 15.356,128 5.828,129 8.405,130 1.287,131 28.184,132 0.996,133 26.854,134 12.036,135 0.404,136 0.555,137 14,138 2,139 8,140 10,141 12.934,142 4.442,143 3.504,144 2.588,147 0.5,148 3.134,149 34.467,150 9.79,151 0.94,152 1.411,153 0.991,154 1.398,155 1.32,156 16,158 2.451,161 369.16,162 -0.191,163 -0.215,164 -0.017,165 6.5,170 62,171 63,172 14,173 16,175 34,176 16,177 10.567,178 4.458,179 0.904,180 11.848,181 376.675,182 72.727,183 449.403,184 376.675,185 376.675,186 72.727,187 329.591,189 376.675,190 376.675,191 58.733,192 376.675,193 0.54,194 11,195 22.831,196 14.53,197 11.227,198 582.957,199 61.97,200 71.059,201 0.412,202 0.565,203 0.659,204 3.134,205 37.262,206 5.578,207 1.385,208 1.382,209 3.141,210 3.223,211 2.999,212 3.111,213 3.206,214 2.941,215 2.91,216 0.108,217 3.134,218 1.415,219 2.065,220 1.415,221 2.026,222 1.366,223 1.975,224 1.153,225 1.064,226 1.497,227 0.682,228 1.153,229 1.064,230 1.376,231 1.429,232 15.51,233 9.771,234 34.847,235 62.848,236 128,237 219.283,238 398.44,239 526.811,240 16.841,241 10.603,242 10.47,243 10.75,244 4.143,245 8.173,246 0.141,248 6,252 2,253 2,254 4,255 2,257 19.039,258 22.26,259 24.251,260 26.136,261 28.101,262 0.082,263 3.735,264 1.146,265 0.069,266 1.705,267 4.143,269 1.95,270 3.648,271 3.729,272 3.634,273 3.615,274 0.518,275 0.569,276 5,277 28.315,278 0.5,279 6.463,283 0.523,284 4.359,285 0.83,286 18.377,287 20.424,288 0.326,289 5.859,290 5.746,291 5.012,292 4.687,293 8.389,294 6.666,295 10.625,296 2.474,297 4.474,298 2.474,299 0.647,300 4,301 10,302 119.812,303 114.516,304 34,305 6,306 2.713,307 3.169,308 1.868,309 0.916,310 1.957,311 0.868,312 1.699,313 2.957,314 0.632,315 3.555,316 5.595,317 6.368,318 3.526,319 33,320 4.7,321 5.46,322 4.234,323 4.173,324 5.443,325 0.916,326 1.957,327 44.835,328 95.395,329 1.795,330 151.941,331 8.229,332 8.229,333 4.622,334 4.622,335 134,336 1.769,337 244.626,338 0.077,339 0.668,340 3.289,341 0.149,342 0.702,343 0.532,344 2.252,346 3.757,347 0.103,348 0.155,349 3.358,350 4.157,351 4.157,352 2,353 0.052,354 87.211,355 16.638,356 13.076,357 14.11,358 2.017,359 0.136,360 3.507,361 3.843,362 3.662,363 4.898,364 3.652,365 0.959,366 6.336,367 10.507,368 5.734,369 9.459,370 3.134,371 0.052,372 3.134,373 1.787,374 1.574,375 3.868,376 14.961,377 0.249,378 -3.5,379 -3.48,380 -3.32,381 2.273,382 5.169,383 4.202,384 9.742,385 3.878,386 3.878,387 3.837,388 1.173,389 5.754,390 5.922,391 5.586,392 45.764,393 0.609,394 1.157,398 4,399 0.83,400 2.855,401 1.242,402 0.382,403 0.556,404 0.997,405 3.379,406 0.88,407 0.132,408 -0.202,410 4,411 4,412 2,413 74.821,414 74.821,415 0.175,416 2.855,417 7.437,418 7.433,419 3.473,420 3.114,421 1.277,422 1.233,423 1.623,424 0.825,425 1.376,426 1.429,428 251.16,429 251.16,430 168,431 3.778,432 3.947,433 6.201,434 4.878,435 0.631,436 3.8,437 1,438 1,439 10.034,440 0.172,441 0.295,442 0.411,443 75.716,444 3.992,446 3.139,447 3.843,448 0.074,449 145.06,450 58.733,451 58.733,452 58.733,453 1,454 1.393,455 208.722,456 243.16,457 0.222,458 0.883,459 5.973,460 2,461 1,462 47.867,463 -0.028,464 1.471,465 3.991,466 3.881,467 9.539,468 10.963,469 12.449,470 16.134,471 1.513,472 2.271,473 3.379,474 106.33,475 1.172,476 1.12,477 1.512,478 4,480 4.157,481 2.873,482 1.504,483 17.5,485 1.512,489 2,490 3.793,491 2.766,492 5.59,493 4.961,494 7.573,495 7.198,496 9.607,497 9.447,498 11.661,499 11.68,500 13.725,501 13.893,502 15.794,503 16.087,504 21.521,505 3.587,506 -0.06,507 19.209,508 19.209,509 19.209,510 19.209,511 19.209,512 19.562,513 0.225,514 0.225,515 1.461,516 1.513,517 1.442,518 13.737,519 13.075,520 13.737,521 3.878,522 2.744,523 3.951,525 4.187}
{0 CHEMBL175247,3 1.293,4 1.881,5 1.57,6 -0.093,8 6.567,9 6.567,10 17.288,11 6.397,12 4.172,13 6.342,14 102.296,15 56.227,16 75.318,17 5.198,18 2.482,19 1.496,20 1.496,21 3.184,22 19,23 0.297,24 3.872,26 2.083,27 0.639,28 33,30 1.888,31 0.114,33 3,35 6.97,36 4.263,37 4.29,38 4.344,39 4.466,40 4.407,41 4.407,42 4,43 3.961,44 3.994,45 3.815,46 2.052,47 2.055,48 4,49 2,50 35.195,51 4.355,52 5.511,53 5.78,54 56.414,55 0.67,56 8.955,57 10.268,58 11.323,59 12.552,60 13.687,61 14.887,62 16.054,63 17.246,64 18.426,65 1.341,66 1.307,67 0.658,68 0.74,69 4.177,70 1.765,71 4.17,72 2.148,73 1.847,74 1.458,75 1.102,76 0.774,77 1.455,78 3.263,79 0.286,80 5.447,81 5.735,82 4.472,83 4.286,84 5.498,85 5.783,86 5.48,87 4.531,88 4.377,89 4.553,90 4.392,91 21.231,92 2.092,93 51.281,94 26.706,95 54.538,96 26.87,97 55.367,98 2.21,99 19.044,100 23.189,101 1.963,102 52.045,103 1.487,104 1.381,105 1.142,106 1.654,107 0.879,108 205.459,109 0.483,110 11.867,111 0.257,112 10.81,113 7.056,114 4.836,115 0.056,117 15.171,118 5.634,120 4.485,121 4.629,122 5.111,123 5.337,124 5.539,125 5.805,126 1.123,127 22.172,128 9.24,129 12.994,130 1.735,131 38.977,132 2.272,133 57.924,134 28.38,135 0.333,136 0.528,137 17,139 16,140 17,141 16.52,142 5.183,143 4.29,144 3.023,147 0.5,148 3.341,149 44.633,150 13.921,151 1.114,152 1.373,153 1.109,154 1.37,155 1.315,156 41,158 2.169,161 568.43,162 -0.16,163 -0.172,164 0.002,165 1.1,170 88,171 88,172 20,173 26,175 53,176 17,177 16.083,178 6.694,179 0.869,180 18.271,181 612.097,182 97.435,183 709.532,184 600.326,185 612.097,186 97.435,187 541.471,189 612.097,190 612.097,191 57.47,192 612.097,193 0.533,194 23,195 31.939,196 20.022,197 14.288,198 831.308,199 86.712,200 100.341,201 0.336,202 0.532,203 0.696,204 3.341,205 52.075,206 5.341,207 1.369,208 1.368,209 3.479,210 3.545,211 3.323,212 3.374,213 3.454,214 3.205,215 3.184,216 0.095,217 3.341,218 1.46,219 2.059,220 1.423,221 2.009,222 1.342,223 1.975,224 1.435,225 1.374,226 1.724,227 1.007,228 1.392,229 1.316,230 1.609,231 1.647,232 18.375,233 11.402,234 47.292,235 125.484,236 253,237 299.548,238 544.93,239 722.658,240 23.026,241 14.407,242 13.993,243 14.53,244 4.19,245 8.096,246 0.15,248 4.5,252 1,253 1,254 3,255 1,257 25.378,258 25.893,259 28.24,260 30.54,261 32.878,262 0.01,263 3.716,264 1.14,265 0.037,266 1.727,267 4.232,269 1.958,270 4.132,271 4.317,272 4.19,273 4.338,274 0.515,275 0.938,276 116,277 39.872,278 2.25,279 6.553,283 0.886,284 5.788,285 0.67,286 21.253,287 23.626,288 0.324,289 6.28,290 6.425,291 5.744,292 5.501,293 17.958,294 18.577,295 27.596,296 3,297 4.98,298 3,299 0.691,300 4,301 1,302 168.061,303 96.399,304 42,305 2,306 2.299,307 3.305,308 2.224,309 1.23,310 2.458,311 1.213,312 2.176,313 3,314 0.978,315 3.761,316 5.814,317 6.629,318 3.664,319 38,320 4.86,321 5.727,322 4.443,323 4.397,324 5.795,325 1.23,326 2.458,327 50.722,328 119.849,329 1.762,330 190.895,331 9.697,332 9.697,333 5.237,334 5.237,335 167,336 1.78,338 0.08,339 0.768,340 3.424,341 0.137,342 1.462,343 0.714,344 1.309,346 3.812,347 0.092,348 0.211,349 3.497,350 3.932,351 3.932,353 0.181,354 105.478,355 19.057,356 15.06,357 16.186,358 2.011,359 0.147,360 3.55,361 4.48,362 4.476,363 5.762,364 4.503,365 2.107,366 17.325,367 25.972,368 17.943,369 26.697,370 3.136,371 0.019,372 3.136,373 1.992,374 1.885,375 8.472,376 71.775,377 0.196,378 -6.67,379 -6.49,380 -6.01,381 5.44,382 29.594,383 4.03,384 8.843,385 4.214,386 4.214,387 3.844,388 1.099,389 5.927,390 6.145,391 6.419,392 47.233,393 0.698,394 2.12,395 3,396 13,397 14,398 17,399 0.5,400 3.4,401 1.514,402 0.754,403 0.507,404 1.014,405 4.844,406 0.63,407 0.007,408 -0.158,410 1,411 5,412 2,413 18.011,414 18.011,415 0.261,416 3.4,417 7.456,418 7.434,419 3.726,420 3.524,421 1.676,422 1.616,423 1.856,424 1.254,425 1.689,426 1.692,427 8.452,428 440.107,429 471.41,430 168,431 3.868,432 3,433 6.146,434 5.214,435 0.702,436 4.044,437 1.412,438 1.412,439 22.124,440 0.326,441 0.523,442 0.863,443 61.098,444 3.814,446 3.393,447 3.996,448 0.273,449 170.334,450 103.766,451 103.766,452 103.766,453 1,454 1.452,455 302.383,456 395.651,457 0.202,458 0.94,459 7.391,460 2.625,461 1.588,462 118.547,463 -0.03,464 1.753,465 4.319,466 4.172,467 14.62,468 17.985,469 15.351,470 20.982,471 1.834,472 3.185,473 3.302,474 139.917,475 1.554,476 1.493,477 1.277,478 5,479 114.477,480 3.834,481 2.443,482 1.795,483 19.75,484 2,485 1.277,486 1,487 1,488 5,489 2,490 3.172,491 2.882,492 4.579,493 4.982,494 6.22,495 6.893,496 7.95,497 8.741,498 9.717,499 10.563,500 11.5,501 12.373,502 13.291,503 14.178,504 13.302,505 3.425,506 -0.071,507 23.579,508 23.579,509 23.579,510 23.579,511 23.579,512 23.833,513 1.351,514 1.351,515 1.671,516 1.928,517 1.779,518 16.921,519 16.392,520 16.921,521 3.983,522 2.435,523 4.025,524 46.296,525 7.211}
{0 CHEMBL254788,1 1.329,2 12.199,3 1.362,4 1.998,5 1.154,6 0.038,7 4.074,8 6.143,9 6.143,10 16.553,11 5.312,12 3.119,13 5.102,14 28.285,15 13.76,16 21.815,17 4.89,18 2.019,19 1.024,20 1.024,21 2.687,22 18,23 0.348,24 3.949,25 18.542,26 2.099,27 1.197,28 41.9,29 3,30 2.064,31 0.708,32 17,33 18,34 13,35 10.039,36 5.652,37 5.823,38 6.277,39 6.601,40 6.935,41 7.308,42 17,43 4.025,44 4.063,45 3.963,46 2.06,47 2.074,48 17,49 4.248,50 33.338,51 3.422,52 4.138,53 4.37,54 17.228,55 1,56 10.127,57 11.811,58 12.832,59 14.371,60 15.521,61 16.979,62 18.205,63 19.617,64 20.89,65 1.448,66 0.728,67 0.573,68 0.706,69 3.674,70 1.946,71 3.352,72 0.923,73 1.976,74 0.872,75 0.872,76 0.839,77 1.008,78 1.139,79 0.324,80 4.523,81 4.721,82 3.845,83 3.765,84 4.622,85 4.863,86 4.478,87 3.36,88 3.259,89 3.282,90 3.19,91 8.017,92 1.137,93 19.213,94 9.875,95 23.242,96 11.062,97 20.297,98 0.74,99 4.547,100 14.018,101 1.076,102 16.111,103 0.671,104 1.497,105 0.469,106 1.181,107 0.218,108 35.195,109 0.447,110 6.178,111 0.165,112 5.764,113 3.693,114 2.305,115 0.025,116 1,117 11.667,118 7.475,119 0.654,120 3.855,121 3.987,122 4.352,123 4.546,124 4.012,125 4.233,126 0.676,127 8.533,128 3.722,129 4.977,130 1.03,131 15.863,132 0.655,133 11.706,134 6.51,135 0.561,136 0.671,137 1,138 3,139 1,141 9.652,142 3.893,143 2.193,144 1.553,145 1,146 1,147 1,148 3.9,149 25.267,150 4.839,151 0.752,152 0.918,153 0.832,154 0.864,155 0.852,157 1,158 3.234,159 1,160 1,161 233.329,162 0.198,163 0.112,164 -0.185,165 11.6,166 1,167 3,168 3,169 1,170 43,171 45,172 1,173 4,174 1,175 19,176 2,177 8.417,178 2.416,179 0.969,180 4.901,181 223.651,182 25.145,183 248.796,184 223.651,185 223.651,186 25.145,187 225.979,188 49.867,189 223.651,190 223.651,191 21.23,192 223.651,193 0.577,194 5,195 16.192,196 7.264,197 4.208,198 426.749,199 43.022,200 48.607,201 0.596,202 0.714,203 0.802,204 3.9,205 28.813,206 6.9,207 1.476,208 1.475,209 2.874,210 3.009,211 2.687,212 2.854,213 2.925,214 2.735,215 2.715,216 0.15,217 3.9,218 1.231,219 1.925,220 1.034,221 1.902,222 0.94,223 1.88,224 0.898,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.107,232 0.693,234 27.509,235 39.632,236 84,237 172.874,238 290.21,239 413.571,240 13.755,241 7.612,242 7.349,243 7.728,244 5.213,245 9.324,246 0.159,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 116.34,258 24.652,259 26.848,260 28.99,261 31.175,262 -0.124,263 3.843,264 1.13,265 -0.211,266 1.56,267 3.748,268 74.685,269 1.873,270 3.616,271 3.676,272 3.574,273 3.553,274 0.232,275 0.23,276 13,277 16.78,278 1.257,279 7.375,280 1,281 2.398,282 4.595,283 0.256,284 3.24,285 1,286 20.321,287 22.548,288 0.298,289 5.719,290 5.506,291 4.745,292 4.332,293 7.748,294 4.418,295 6.362,296 2.876,297 4.876,298 2.876,299 0.754,302 25.145,303 9.419,304 35,306 1.955,307 3.247,308 1.697,309 0.715,310 1.706,311 0.7,312 1.342,313 2.86,314 0.056,315 3.584,316 5.631,317 6.479,318 3.597,319 35.5,320 4.798,321 5.595,322 4.263,323 4.226,324 5.716,325 0.715,326 1.706,327 51.565,328 104.993,329 1.755,330 139.051,331 8.368,332 8.368,333 4.976,334 4.976,335 139,336 1.625,337 172.229,338 0.085,339 0.789,340 4.038,341 0.123,342 0.693,343 0.173,344 1.265,345 3,346 3.968,347 0.082,348 0.291,349 3.046,350 3.708,351 3.708,352 2,353 0.118,354 72.935,355 18.295,356 14.479,357 15.539,358 1.832,359 0.086,360 3.505,361 3.78,362 3.628,363 4.592,364 3.502,365 1.043,366 6.109,367 9.395,368 4.686,369 7.269,370 3.749,371 0.077,372 3.749,373 1.592,374 1.532,375 2.538,376 6.439,377 0.266,378 -4.56,379 -4.48,380 -4.22,381 3.326,382 11.06,383 3.686,384 6.882,385 4.256,386 4.256,387 3.784,388 0.877,389 5.425,390 5.61,391 5.025,392 16.667,393 0.394,394 1.157,396 11,397 6,398 3,399 1,400 2.358,401 0.846,402 -0.6,403 0.588,404 1.149,405 4.085,406 1,407 0.243,408 0.09,409 4,410 5,411 1,413 54.645,414 54.645,415 0.111,416 2.358,417 7.427,418 5.178,419 3.273,420 3.023,421 1.287,422 1.188,423 1.544,424 0.689,425 1.129,426 1.107,427 3.406,428 195.82,429 195.82,430 100,431 3.972,432 6.775,433 6.964,434 5.087,435 0.507,436 3.698,437 1,438 1,439 11.225,440 0.195,441 0.315,442 0.507,443 7.765,444 3.517,445 6.555,446 2.867,447 3.741,448 0.089,449 133.706,450 123.309,451 123.309,452 123.309,453 0.5,454 1.506,455 166.535,456 187.065,457 0.195,458 1.133,459 6.377,460 2.5,461 1.5,462 32.613,463 -0.033,464 1.239,465 3.74,466 3.702,467 5.666,468 7.12,469 9.683,470 13.246,471 1.417,472 1.53,473 2.959,474 94.244,475 0.934,476 0.851,477 1.534,478 2,480 3.031,481 0.68,482 1,483 14.75,485 1.534,490 2.214,491 1.668,492 3.095,493 3.205,494 4.282,495 4.673,496 5.57,497 6.097,498 6.898,499 7.497,500 8.246,501 8.884,502 9.604,503 10.263,504 6.672,505 3.86,506 -0.06,507 16.154,508 16.154,509 16.154,510 16.154,511 16.154,512 16.337,513 -1.554,514 -1.554,515 1.317,516 1.518,517 1.308,518 11.614,519 11.146,520 11.614,521 4.154,522 3.291,523 4.681,524 106.857,525 5}
{0 CHEMBL255903,1 1.899,2 12.02,3 0.694,4 1.999,5 0.985,6 0.184,7 4.602,8 6.198,9 6.198,10 16.663,11 5.314,12 3.024,13 4.964,14 26.687,15 15.506,16 15.489,17 4.907,18 2.067,19 1.077,20 1.077,21 2.569,22 19,23 0.387,24 3.956,25 19.005,26 2.101,27 0.968,28 42.9,29 3,30 2.097,31 0.773,32 17,33 17,34 13,35 9.835,36 5.619,37 5.765,38 6.2,39 6.555,40 6.91,41 7.244,42 17,43 4.031,44 4.073,45 3.965,46 2.065,47 2.078,48 17,49 4.17,50 33.937,51 3.463,52 4.218,53 4.503,54 18.923,55 1,56 10.124,57 11.824,58 12.881,59 14.428,60 15.611,61 17.074,62 18.328,63 19.745,64 21.041,65 1.447,66 0.748,67 0.59,68 0.698,69 3.654,70 2,71 3.251,72 1.003,73 1.977,74 0.893,75 0.893,76 0.834,77 1.064,78 0.923,79 0.315,80 4.552,81 4.783,82 3.868,83 3.745,84 4.659,85 4.946,86 4.47,87 3.411,88 3.248,89 3.307,90 3.159,91 9.185,92 1.164,93 20.809,94 11.654,95 24.528,96 12.276,97 19.695,98 0.76,99 5.031,100 12.966,101 1.102,102 16.33,103 0.742,104 1.49,105 0.469,106 1.181,107 0.218,108 26.714,109 0.447,110 6.159,111 0.185,112 5.911,113 3.567,114 2.466,115 0.028,117 10.136,118 6.962,119 0.708,120 3.814,121 3.952,122 4.322,123 4.515,124 4.04,125 4.286,126 0.637,127 9.118,128 3.926,129 5.427,130 0.991,131 15.996,132 0.666,133 12.474,134 7.337,135 0.531,136 0.665,137 1,138 3,139 6,140 3,141 8.959,142 4.036,143 2.36,144 1.59,145 1,146 1,147 1,148 3.92,149 23,150 5.096,151 0.83,152 1.007,153 0.871,154 1.022,155 0.982,156 6,157 1,158 3.032,159 1,160 1,161 226.477,162 0.069,163 -0.004,164 -0.125,165 9.5,166 1,167 3,168 3,169 1,170 42,171 44,172 1,173 5,174 1,175 20,176 2,177 8.133,178 2.632,179 0.97,180 4.408,181 235.422,183 235.422,184 235.422,185 235.422,187 223.651,188 49.744,189 235.422,190 235.422,191 16.525,192 235.422,193 0.568,194 5,195 14.618,196 6.634,197 3.676,198 406.404,199 41.476,200 47.315,201 0.562,202 0.705,203 0.796,204 3.92,205 28.114,206 6.92,207 1.468,208 1.468,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.618,215 2.575,216 0.163,217 3.92,218 1.269,219 1.988,220 1.216,221 1.963,222 1.036,223 1.881,224 0.886,225 0.821,226 1.181,227 0.218,228 0.886,229 0.804,230 1.062,231 1.107,232 1.61,234 26.3,235 34.673,236 70,237 165.01,238 273.06,239 394.385,240 12.977,241 7.551,242 7.275,243 7.616,244 5.189,245 9.293,246 0.176,247 9,248 16,249 9,250 2,251 9,252 3,253 3,254 13,255 3,256 85.286,257 94.843,258 25.072,259 27.309,260 29.504,261 31.729,262 -0.139,263 3.845,264 1.127,265 -0.112,266 1.662,267 3.674,268 66.756,269 1.857,270 3.533,271 3.681,272 3.526,273 3.612,274 0.157,275 0.212,276 7,277 8.717,278 1.007,279 7.302,280 1,281 2.398,282 4.595,283 0.174,284 2.739,285 1,286 20.636,287 22.903,288 0.297,289 5.488,290 5.425,291 4.72,292 4.416,293 8.026,294 5.927,295 8.758,296 2.882,297 4.882,298 2.882,299 0.751,300 1,302 11.771,303 26.395,304 32,306 1.443,307 2.832,308 1.033,309 0.047,310 0.12,311 0.047,312 0.934,313 2.407,314 -0.351,315 3.497,316 5.549,317 6.402,318 3.512,319 32.5,320 4.703,321 5.501,322 4.174,323 4.144,324 5.623,325 0.047,326 0.12,327 47.416,328 95.877,329 1.764,330 127.365,331 7.435,332 7.435,333 4.847,334 4.847,335 128,336 1.724,337 146.567,338 0.094,339 0.787,340 3.995,341 0.123,342 0.763,343 0.104,344 0.827,345 3,346 3.97,347 0.082,348 0.274,349 2.969,350 3.148,351 3.148,352 2,353 0.094,354 66.305,355 18.529,356 14.542,357 15.623,358 1.919,359 0.089,360 3.404,361 3.812,362 3.71,363 4.676,364 3.598,365 1.082,366 6.357,367 9.707,368 5.748,369 8.86,370 3.829,371 0.079,372 3.829,373 1.582,374 1.372,375 4.159,376 17.3,377 0.237,378 -5.78,379 -5.65,380 -5.26,381 4.555,382 20.748,383 3.482,384 6.041,385 4.285,386 4.285,387 3.777,388 0.977,389 5.268,390 5.411,391 4.878,392 14.261,393 0.227,394 1.232,396 12,397 10,398 9,399 0.83,400 2.409,401 0.238,402 -1,403 0.548,404 1.113,405 4.005,406 0.88,407 0.508,408 0.005,409 4,410 4,413 51.521,414 51.521,415 0.114,416 2.409,417 5.212,418 4.831,419 3.142,420 2.936,421 1.059,422 0.97,423 1.431,424 0.521,425 1.131,426 1.113,427 4.334,428 188.968,429 188.968,430 80,431 3.977,432 5.625,433 6.896,434 5.093,435 0.412,436 3.588,437 1,438 1,439 8.574,440 0.214,441 0.34,442 0.574,443 4.64,444 3.317,445 6.555,446 2.687,447 3.64,448 0.065,449 119.41,450 119.462,451 119.462,452 119.462,453 0.5,454 1.495,455 159.683,456 180.213,457 0.186,458 1.061,459 6.269,460 2.5,461 1.5,462 26.873,463 0.001,464 1.239,465 3.764,466 3.687,467 6.45,468 7.965,469 9.128,470 12.73,471 1.341,472 1.658,473 2.76,474 92.764,475 0.934,476 0.821,477 1.357,478 3,480 2.863,482 1,483 12.75,485 1.357,488 1,490 0.655,492 0.356,494 0.18,496 0.087,498 0.041,500 0.019,502 0.009,504 1.36,505 3.765,506 0.005,507 14.999,508 14.999,509 14.999,510 14.999,511 14.999,512 15.101,513 -2,514 -2,515 1.331,516 1.417,517 1.308,518 10.72,519 10.428,520 10.72,521 4.208,522 3.277,523 4.629,524 104.713,525 5}
{0 CHEMBL255904,1 1.679,2 12.641,3 0.875,4 1.998,5 0.985,6 0.184,7 4.424,8 6.143,9 6.143,10 16.383,11 5.129,12 2.973,13 4.815,14 20.16,15 12.099,16 9.848,17 4.88,18 2,19 1,20 1,21 2.65,22 19,23 0.377,24 3.954,25 18.927,26 2.099,27 1.17,28 42.9,29 3,30 2.097,31 0.773,32 17,33 17,34 13,35 9.769,36 5.614,37 5.768,38 6.211,39 6.543,40 6.895,41 7.259,42 17,43 4.025,44 4.065,45 3.963,46 2.06,47 2.075,48 17,49 4.17,50 33.258,51 3.342,52 4.015,53 4.25,54 16.243,55 1,56 10.042,57 11.756,58 12.771,59 14.328,60 15.477,61 16.945,62 18.172,63 19.589,64 20.863,65 1.446,66 0.706,67 0.59,68 0.698,69 3.674,70 2,71 3.167,72 0.859,73 1.976,74 0.893,75 0.893,76 0.834,77 1,78 0.923,79 0.308,80 4.545,81 4.781,82 3.84,83 3.718,84 4.613,85 4.903,86 4.386,87 3.32,88 3.179,89 3.313,90 3.164,91 9.095,92 1.154,93 20.797,94 11.338,95 23.506,96 11.592,97 18.246,98 0.662,99 5.401,100 12.941,101 1.102,102 16.055,103 0.73,104 1.49,105 0.469,106 1.181,107 0.218,108 26.626,109 0.446,110 6.157,111 0.184,112 5.894,113 3.446,114 2.379,115 0.026,117 10.818,118 6.962,119 0.708,120 3.814,121 3.952,122 4.324,123 4.518,124 4.111,125 4.395,126 0.637,127 9.118,128 3.926,129 5.427,130 0.996,131 16.066,132 0.686,133 13.858,134 7.979,135 0.531,136 0.665,137 1,138 3,139 7,140 5,141 8.981,142 4.036,143 2.36,144 1.59,145 1,146 1,147 1,148 3.899,149 23,150 5.127,151 0.83,152 1.051,153 0.872,154 1.033,155 0.985,156 6,157 1,158 3.032,159 1,160 1,161 226.477,162 0.03,163 -0.023,164 -0.123,165 9.5,166 1,167 3,168 3,169 1,170 42,171 44,172 1,173 5,174 1,175 20,176 2,177 8.133,178 2.632,179 0.97,180 4.408,181 235.422,183 235.422,184 235.422,185 235.422,187 225.979,188 49.867,189 235.422,190 235.422,191 16.525,192 235.422,193 0.569,194 5,195 14.618,196 6.634,197 3.879,198 406.404,199 41.476,200 47.315,201 0.562,202 0.705,203 0.796,204 3.899,205 28.114,206 6.899,207 1.466,208 1.466,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.659,215 2.645,216 0.162,217 3.899,218 1.241,219 1.978,220 1.228,221 1.948,222 1.033,223 1.892,224 0.898,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.107,232 1.521,234 26.3,235 34.797,236 74,237 165.01,238 273.06,239 394.385,240 12.977,241 7.551,242 7.276,243 7.616,244 5.185,245 9.257,246 0.171,247 9,248 16,249 9,250 2,251 9,252 3,253 3,254 13,255 3,256 85.286,257 94.843,258 24.545,259 26.745,260 28.897,261 31.088,262 -0.214,263 3.838,264 1.127,265 -0.129,266 1.657,267 3.674,268 66.756,269 1.873,270 3.497,271 3.623,272 3.421,273 3.516,274 0.159,275 0.166,276 7,277 9.712,278 1.257,279 7.256,280 1,281 2.398,282 4.595,283 0.198,284 2.739,285 1,286 20.199,287 22.43,288 0.3,289 5.464,290 5.371,291 4.638,292 4.267,293 7.523,294 4.747,295 6.911,296 2.876,297 4.876,298 2.876,299 0.751,300 1,302 11.771,303 23.945,304 32,306 1.7,307 2.881,308 1.037,309 0.054,310 0.141,311 0.053,312 0.869,313 2.413,314 -0.37,315 3.497,316 5.541,317 6.392,318 3.512,319 32.5,320 4.703,321 5.493,322 4.174,323 4.147,324 5.622,325 0.054,326 0.141,327 47.352,328 95.274,329 1.755,330 127.365,331 7.329,332 7.329,333 4.682,334 4.682,335 127,336 1.725,337 153.065,338 0.089,339 0.787,340 3.97,341 0.125,342 0.533,343 0.075,344 0.929,345 3,346 3.969,347 0.082,348 0.274,349 2.99,350 3.044,351 3.044,352 2,353 0.094,354 66.15,355 18.16,356 14.307,357 15.371,358 1.924,359 0.088,360 3.414,361 3.75,362 3.609,363 4.529,364 3.469,365 1.004,366 5.376,367 8.367,368 5.156,369 7.883,370 3.74,371 0.079,372 3.74,373 1.542,374 1.486,375 4.25,376 18.065,377 0.237,378 -5.78,379 -5.65,380 -5.26,381 4.555,382 20.748,383 3.573,384 6.364,385 4.255,386 4.255,387 3.786,388 0.726,389 5.293,390 5.422,391 4.887,392 15.65,393 0.219,394 1.177,396 11,397 9,398 7,399 0.83,400 2.275,401 0.272,402 -1,403 0.548,404 1.1,405 3.754,406 0.88,407 0.508,408 -0.005,409 4,410 4,413 51.521,414 51.521,415 0.114,416 2.275,417 5.182,418 4.83,419 3.184,420 2.952,421 1.148,422 1.035,423 1.522,424 0.549,425 1.066,426 1.107,427 4.288,428 188.968,429 188.968,430 84,431 3.971,432 5.577,433 6.887,434 5.034,435 0.412,436 3.561,437 1,438 1,439 8.741,440 0.203,441 0.327,442 0.534,443 4.64,444 3.413,445 6.555,446 2.687,447 3.645,448 0.073,449 119.743,450 119.462,451 119.462,452 119.462,453 0.5,454 1.488,455 159.683,456 180.213,457 0.188,458 1.087,459 6.246,460 2.5,461 1.5,462 28.669,463 0.001,464 1.239,465 3.755,466 3.681,467 6.355,468 7.69,469 9.094,470 12.705,471 1.41,472 1.51,473 2.947,474 90.138,475 0.934,476 0.849,477 1.357,478 3,480 2.844,482 1,483 12.75,485 1.357,488 1,490 0.655,492 0.356,494 0.18,496 0.087,498 0.041,500 0.019,502 0.009,504 1.36,505 3.781,506 0.005,507 14.947,508 14.947,509 14.947,510 14.947,511 14.947,512 15.045,513 -2,514 -2,515 1.314,516 1.417,517 1.308,518 10.704,519 10.417,520 10.704,521 4.134,522 3.285,523 4.614,524 104.591,525 5}
{0 CHEMBL257157,1 1.299,2 11.91,3 1.035,4 1.998,5 0.866,6 0.21,7 4.117,8 6.143,9 6.143,10 16.329,11 4.988,12 2.889,13 4.809,14 19.426,15 9.049,16 16.925,17 4.88,18 2,19 1,20 1,21 2.593,22 18,23 0.394,24 3.941,25 18.541,26 2.099,27 0.955,28 47.1,29 3,30 2.131,31 0.81,32 17,33 18,34 13,35 9.867,36 5.631,37 5.796,38 6.242,39 6.558,40 6.915,41 7.28,42 17,43 4.022,44 4.059,45 3.962,46 2.06,47 2.074,48 17,49 4.248,50 33.236,51 3.178,52 3.798,53 4.031,54 12.532,55 1,56 10.032,57 11.758,58 12.768,59 14.33,60 15.476,61 16.946,62 18.172,63 19.59,64 20.864,65 1.423,66 0.692,67 0.54,68 0.69,69 3.674,70 2.066,71 3.078,72 0.705,73 1.976,74 0.588,75 0.588,76 0.884,77 1,78 0.837,79 0.319,80 4.278,81 4.487,82 3.655,83 3.574,84 4.269,85 4.497,86 4.149,87 3.103,88 3.003,89 2.992,90 2.903,91 5.728,92 0.936,93 13.758,94 7.181,95 14.383,96 7.76,97 13.106,98 0.555,99 3.402,100 12.45,101 0.846,102 11.722,103 0.558,104 1.5,105 0.218,106 0.797,108 24.23,109 0.45,110 5.347,111 0.154,112 4.634,113 3.13,114 2.106,115 0.025,116 1,117 10.667,118 8.098,119 0.739,120 3.635,121 3.758,122 4.092,123 4.253,124 3.717,125 3.96,126 0.542,127 5.565,128 2.724,129 3.452,130 0.827,131 9.916,132 0.505,133 8.67,134 4.815,135 0.562,136 0.657,137 1,138 3,139 1,141 8.126,142 3.639,143 1.972,144 1.45,145 1,146 1,147 1,148 3.899,149 20.6,150 3.936,151 0.679,152 1.031,153 0.868,154 1.065,155 1.013,157 1,158 3.115,159 1,160 1,161 172.974,162 -0.004,163 -0.122,164 -0.11,165 14.7,166 1,167 3,168 3,169 1,170 34,171 36,172 1,173 2,174 1,175 13,176 2,177 6.25,178 1.974,179 0.988,180 3.821,181 153.024,183 153.024,184 153.024,185 153.024,187 155.352,188 49.867,189 153.024,190 153.024,191 16.525,192 153.024,193 0.558,194 4,195 13.178,196 6.089,197 3.199,198 354.017,199 34.043,200 38.152,201 0.612,202 0.715,203 0.834,204 3.899,205 24.074,206 6.899,207 1.45,208 1.448,209 2.854,210 2.925,211 2.687,212 2.734,213 2.811,214 2.548,215 2.554,216 0.17,217 3.899,218 1.23,219 1.925,220 1.033,221 1.896,222 0.771,223 1.771,224 0.886,225 0.821,226 1.092,227 0.194,228 0.793,229 0.691,230 1.056,231 1.063,232 0.737,234 23.214,235 32.483,236 79,237 146.765,238 244.18,239 349.867,240 11.346,241 6.557,242 6.412,243 6.63,244 5.202,245 9.26,246 0.178,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 13,255 3,256 85.286,257 111.445,258 24.518,259 26.718,260 28.873,261 31.064,262 -0.156,263 3.834,264 1.122,265 -0.181,266 1.446,267 3.674,268 62.947,269 1.814,270 3.406,271 3.482,272 3.312,273 3.354,274 0.105,275 0.121,276 4,277 12.058,278 1.007,279 7.227,280 1,281 2.398,282 4.595,283 0.109,284 2.345,285 1,286 20.169,287 22.398,288 0.292,289 5.368,290 5.223,291 4.385,292 4.049,293 5.659,294 3.415,295 4.664,296 2.876,297 4.876,298 2.876,299 0.766,303 37.354,304 30,306 1.799,307 2.797,308 1.022,309 0.039,310 0.098,311 0.038,312 1.155,313 2.323,314 -0.624,315 3.434,316 5.493,317 6.337,318 3.541,319 33.5,320 4.73,321 5.425,322 4.111,323 4.078,324 5.545,325 0.039,326 0.098,327 46.834,328 89.047,329 1.755,330 105.915,331 7.221,332 7.221,333 4.562,334 4.562,335 121,336 1.521,337 143.664,338 0.092,339 0.812,340 3.872,341 0.126,342 0.498,343 0.08,344 1.194,345 3,346 3.968,347 0.083,348 0.24,349 2.958,350 4.049,351 4.049,352 2,353 0.04,354 64.368,355 18.123,356 14.251,357 15.317,358 1.674,359 0.082,360 3.29,361 3.579,362 3.441,363 4.306,364 3.282,365 0.799,366 5.032,367 6.991,368 4.437,369 6.197,370 3.741,371 0.072,372 3.741,373 1.527,374 1.111,375 3.003,376 9.015,377 0.262,378 -4.44,379 -4.37,380 -4.12,381 3.211,382 10.31,383 3.518,384 6.109,385 4.255,386 4.255,387 3.771,388 0.784,389 5.21,390 5.348,391 4.8,392 12.371,393 0.146,394 0.908,396 11,397 6,398 3,399 1,400 2.136,401 0.702,402 -0.947,403 0.606,404 1.069,405 3.785,406 1,407 0.416,408 -0.117,409 4,410 5,413 82.58,414 82.58,415 0.111,416 2.136,417 6.818,418 5.176,419 3.107,420 2.878,421 0.899,422 0.852,423 1.202,424 0.218,425 1.062,426 1.107,428 152.974,429 152.974,430 77,431 3.969,432 6.412,433 6.891,434 5.028,435 0.39,436 3.494,437 1,438 1,439 6.125,440 0.208,441 0.333,442 0.549,443 4.64,444 3.39,445 6.555,446 2.687,447 3.574,448 0.061,449 114.437,450 118.413,451 118.413,452 118.413,454 1.483,455 123.69,456 144.219,457 0.19,458 1.106,459 6.035,460 2.5,461 1.5,462 23.034,463 -0.002,464 1.062,465 3.586,466 3.545,467 4.396,468 5.387,469 9.049,470 11.547,471 1.181,472 1.376,473 2.939,474 81.608,475 0.886,476 0.821,477 1.449,478 2,480 3.037,481 0.68,482 1,483 12.5,485 1.449,490 2.622,492 4.27,494 6.031,496 7.807,498 9.585,500 11.363,502 13.142,504 6.226,505 3.783,506 0.015,507 14.662,508 14.662,509 14.662,510 14.662,511 14.662,512 14.789,513 -2.224,514 -2.224,515 1.296,516 1.181,517 1.107,518 10.348,519 10.011,520 10.348,521 4.133,522 3.285,523 4.624,524 86.94,525 5}
{0 CHEMBL257548,1 1.282,2 11.015,3 1.227,4 1.994,5 1.089,6 0.095,7 3.006,8 6.181,9 6.181,10 16.829,11 5.619,12 3.456,13 5.475,14 52.033,15 15.388,16 39.768,17 4.951,18 2.115,19 1.145,20 1.145,21 2.687,22 16,23 0.328,24 3.974,25 17.218,26 2.09,27 0.996,28 41.9,29 3,30 2.059,31 0.654,32 17,33 19,34 13,35 10.102,36 5.666,37 5.833,38 6.232,39 6.424,40 6.68,41 6.981,42 17,43 4.017,44 4.049,45 3.959,46 2.061,47 2.071,48 17,49 4.322,50 34.024,51 3.512,52 4.277,53 4.493,54 17.948,55 1,56 10.292,57 11.948,58 13.029,59 14.55,60 15.746,61 17.194,62 18.455,63 19.863,64 21.163,65 1.43,66 0.733,67 0.543,68 0.706,69 3.738,70 1.95,71 3.574,72 0.912,73 1.973,74 0.576,75 0.576,76 0.894,77 1.105,78 1.083,79 0.332,80 4.524,81 4.705,82 3.819,83 3.779,84 4.593,85 4.787,86 4.541,87 3.411,88 3.389,89 3.302,90 3.302,91 7.016,92 1.106,93 17.987,94 8.801,95 20.115,96 8.526,97 20.979,98 0.826,99 3.805,100 15.504,101 0.907,102 16.891,103 0.65,104 1.471,105 0.314,106 1.181,107 0.218,108 46.184,109 0.452,110 6.341,111 0.147,112 5.455,113 3.774,114 2.366,115 0.023,116 1,117 12.308,118 8.172,119 0.607,120 3.878,121 3.992,122 4.354,123 4.509,124 4.176,125 4.38,126 0.668,127 7.291,128 3.622,129 4.304,130 0.99,131 14.139,132 0.735,133 13.903,134 5.075,135 0.593,136 0.681,138 3,141 10.272,142 3.742,143 1.988,144 1.478,145 1,146 1,147 1,148 3.926,149 27.6,150 5.04,151 0.685,152 0.973,153 0.837,154 0.937,155 0.916,157 1,158 3.439,159 1,160 1,161 233.329,162 0.118,163 0.058,164 -0.079,165 11.6,166 1,167 3,168 3,169 1,170 43,171 45,173 3,174 1,175 17,176 2,177 8.05,178 2.341,179 0.961,180 5.719,181 188.338,182 61.29,183 249.627,184 188.338,185 188.338,186 61.29,187 188.338,188 49.744,189 188.338,190 188.338,191 27.992,192 188.338,193 0.568,194 7,195 17.773,196 8.366,197 4.538,198 443.32,199 43.793,200 48.611,201 0.634,202 0.728,203 0.833,204 3.926,205 28.96,206 6.926,207 1.455,208 1.459,209 2.932,210 2.998,211 2.785,212 2.854,213 2.925,214 2.735,215 2.715,216 0.14,217 3.926,218 1.196,219 1.905,220 1,221 1.906,222 0.945,223 1.843,224 0.886,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.107,232 -0.01,233 4.578,234 28.412,235 44.641,236 103,237 177.939,238 305.15,239 425.93,240 14.124,241 7.772,242 7.601,243 7.927,244 5.259,245 9.42,246 0.167,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 15,255 3,256 85.286,257 117.622,258 25.21,259 27.435,260 29.617,261 31.83,262 -0.078,263 3.869,264 1.13,265 -0.092,266 1.573,267 4.046,268 85.455,269 1.854,270 3.758,271 3.725,272 3.716,273 3.628,274 0.422,275 0.476,276 13,277 25.924,278 1.257,279 7.5,280 1,281 2.398,282 4.595,283 0.605,284 3.536,285 1,286 20.798,287 23.053,288 0.293,289 5.851,290 5.77,291 4.77,292 4.407,293 6.684,294 4.552,295 6.123,296 2.915,297 4.915,298 2.915,299 0.78,302 61.29,303 26.327,304 37,305 1,306 1.854,307 3.247,308 2,309 1,310 2.136,311 1,312 1.687,313 2.936,314 0.456,315 3.638,316 5.7,317 6.544,318 3.676,319 38.5,320 4.869,321 5.652,322 4.317,323 4.277,324 5.769,325 1,326 2.136,327 55.168,328 111.226,329 1.749,330 147.864,331 9.149,332 9.149,333 5.271,334 5.271,335 149,336 1.627,337 188.363,338 0.086,339 0.837,340 3.972,341 0.125,342 0.733,343 0.35,344 1.174,345 3,346 3.963,347 0.082,348 0.283,349 3.279,350 3.702,351 3.702,352 2,353 0.097,354 80.722,355 18.698,356 14.718,357 15.792,358 1.778,359 0.08,360 3.42,361 3.767,362 3.676,363 4.626,364 3.568,365 1.033,366 6.636,367 9.367,368 6.05,369 8.373,370 3.854,371 0.057,372 3.854,373 1.622,374 1.491,375 2.126,376 4.522,377 0.291,378 -4.05,379 -4,380 -3.79,381 2.824,382 7.977,383 3.751,384 7.162,385 4.288,386 4.288,387 3.8,388 1.041,389 5.583,390 5.712,391 5.607,392 32.043,393 0.564,394 1.14,396 10,397 4,398 1,399 1,400 2.631,401 1,402 -0.06,403 0.642,404 1.048,405 4.316,406 1,407 0.081,408 0.013,409 4,410 5,411 3,412 1,413 69.531,414 69.531,415 0.156,416 2.631,417 7.433,418 7.428,419 3.397,420 3.062,421 1.161,422 1.102,423 1.502,424 0.563,425 1.184,426 1.132,427 1.285,428 208.574,429 208.574,430 112,431 3.967,432 7.629,433 7.03,434 5.174,435 0.624,436 3.813,437 1.037,438 1.037,439 11.605,440 0.192,441 0.31,442 0.502,443 22.222,444 3.577,445 6.555,446 2.843,447 3.818,448 0.096,449 146.548,450 124.161,451 124.161,452 124.161,454 1.509,455 169.781,456 194.31,457 0.195,458 0.997,459 6.991,460 2.529,461 1.51,462 59.582,463 -0.017,464 1.338,465 3.722,466 3.714,467 5.618,468 6.908,469 10.688,470 13.782,471 1.204,472 1.499,473 3.094,474 98.429,475 1.051,476 0.985,477 1.684,478 1,480 3.561,481 1.081,482 1.301,483 16.25,485 1.684,489 1,490 2.665,491 2.243,492 3.951,493 4.321,494 5.568,495 6.24,496 7.301,497 8.097,498 9.077,499 9.929,500 10.87,501 11.749,502 12.672,503 13.564,504 8.857,505 4.026,506 -0.045,507 17.784,508 17.784,509 17.784,510 17.784,511 17.784,512 18.074,513 -0.805,514 -0.805,515 1.338,516 1.493,517 1.262,518 12.669,519 12.019,520 12.669,521 4.239,522 3.505,523 4.757,524 97.946,525 5}
{0 CHEMBL257569,1 1.346,2 10.971,3 1.348,4 1.994,5 0.971,6 0.154,7 3.13,8 6.171,9 6.171,10 16.763,11 5.432,12 3.328,13 5.31,14 42.887,15 11.631,16 32.134,17 4.949,18 2.037,19 1.037,20 1.037,21 2.687,22 16,23 0.351,24 3.973,25 17.308,26 2.09,27 0.906,28 44.7,29 3,30 2.089,31 0.708,32 17,33 19,34 13,35 10.011,36 5.656,37 5.816,38 6.216,39 6.405,40 6.668,41 6.972,42 17,43 4.016,44 4.048,45 3.959,46 2.061,47 2.071,48 17,49 4.322,50 33.953,51 3.359,52 4.038,53 4.252,54 14.618,55 1,56 10.247,57 11.924,58 13.002,59 14.532,60 15.727,61 17.179,62 18.441,63 19.85,64 21.149,65 1.434,66 0.679,67 0.531,68 0.699,69 3.676,70 2,71 3.394,72 0.792,73 1.973,74 0.526,75 0.526,76 0.9,77 1.034,78 0.872,79 0.332,80 4.413,81 4.61,82 3.751,83 3.699,84 4.453,85 4.66,86 4.357,87 3.256,88 3.239,89 3.169,90 3.167,91 5.925,92 1.051,93 15.324,94 7.889,95 16.76,96 7.357,97 16.468,98 0.685,99 2.927,100 14.297,101 0.902,102 14.034,103 0.585,104 1.505,105 0.218,106 0.988,108 37.78,109 0.453,110 5.908,111 0.148,112 5.037,113 3.488,114 2.246,115 0.024,116 1,117 11.542,118 8.378,119 0.654,120 3.753,121 3.876,122 4.206,123 4.363,124 3.933,125 4.123,126 0.622,127 5.865,128 2.948,129 3.539,130 0.927,131 10.61,132 0.64,133 9.509,134 3.464,135 0.6,136 0.669,138 3,141 9.315,142 3.639,143 1.837,144 1.442,145 1,146 1,147 1,148 3.926,149 24.167,150 4.421,151 0.669,152 1.016,153 0.853,154 1.045,155 1.004,157 1,158 3.411,159 1,160 1,161 199.421,162 0.047,163 -0.082,164 -0.07,165 15.8,166 1,167 3,168 3,169 1,170 38,171 40,173 2,174 1,175 14,176 2,177 6.917,178 2.141,179 0.978,180 4.835,181 153.024,182 25.145,183 178.169,184 153.024,185 153.024,186 25.145,187 153.024,188 49.744,189 153.024,190 153.024,191 20.801,192 153.024,193 0.561,194 5,195 15.704,196 7.389,197 3.787,198 401.449,199 38.473,200 42.86,201 0.65,202 0.725,203 0.828,204 3.926,205 26.534,206 6.926,207 1.459,208 1.459,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.735,215 2.715,216 0.151,217 3.926,218 1.195,219 1.905,220 0.987,221 1.903,222 0.932,223 1.83,224 0.886,225 0.821,226 1.181,227 0.218,228 0.809,229 0.731,230 1.062,231 1.107,232 0.206,234 25.95,235 39.555,236 91,237 164.221,238 278.63,239 392.458,240 12.755,241 7.227,242 7.093,243 7.334,244 5.254,245 9.388,246 0.178,247 9,248 20.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 116.149,258 25.159,259 27.378,260 29.557,261 31.763,262 -0.061,263 3.864,264 1.128,265 -0.066,266 1.557,267 3.752,268 77.681,269 1.839,270 3.629,271 3.629,272 3.514,273 3.502,274 0.208,275 0.261,276 7,277 20.283,278 1.132,279 7.42,280 1,281 2.398,282 4.595,283 0.357,284 3.082,285 1,286 20.754,287 23.003,288 0.29,289 5.701,290 5.595,291 4.587,292 4.22,293 5.944,294 3.909,295 5.036,296 2.915,297 4.915,298 2.915,299 0.764,302 25.145,303 57.386,304 34,305 1,306 1.978,307 3,308 1.802,309 0.846,310 1.473,311 0.807,312 1.689,313 2.936,314 0.445,315 3.555,316 5.624,317 6.466,318 3.651,319 37.5,320 4.846,321 5.565,322 4.234,323 4.199,324 5.687,325 0.846,326 1.473,327 52.568,328 102.34,329 1.749,330 129.608,331 8.406,332 8.406,333 4.957,334 4.957,335 138,336 1.624,337 171.396,338 0.089,339 0.83,340 3.936,341 0.127,342 0.583,343 0.193,344 1.232,345 3,346 3.963,347 0.084,348 0.258,349 3.225,350 4.051,351 4.051,352 2,353 0.065,354 74.019,355 18.65,356 14.653,357 15.727,358 1.77,359 0.079,360 3.334,361 3.683,362 3.574,363 4.455,364 3.432,365 0.93,366 5.939,367 8.005,368 5.496,369 7.641,370 3.847,371 0.052,372 3.847,373 1.558,374 1.264,375 2.15,376 4.622,377 0.283,378 -3.75,379 -3.72,380 -3.53,381 2.523,382 6.366,383 3.65,384 6.71,385 4.287,386 4.287,387 3.799,388 1.208,389 5.398,390 5.585,391 5.383,392 16.917,393 0.365,394 1.059,396 10,397 4,398 1,399 1,400 2.519,401 1,402 -0.334,403 0.636,404 1.049,405 4.085,406 1,407 0.169,408 -0.1,409 4,410 6,411 1,413 100.591,414 100.591,415 0.125,416 2.519,417 7.429,418 6.818,419 3.327,420 3.029,421 1.077,422 1.047,423 1.339,424 0.313,425 1.062,426 1.107,428 179.421,429 179.421,430 97,431 3.965,432 7.354,433 6.989,434 5.167,435 0.539,436 3.707,437 1,438 1,439 8.911,440 0.198,441 0.318,442 0.519,443 22.222,444 3.487,445 6.555,446 2.824,447 3.711,448 0.087,449 132.039,450 122.689,451 122.689,452 122.689,454 1.502,455 144.627,456 165.157,457 0.191,458 0.991,459 6.748,460 2.529,461 1.5,462 48.678,463 0.004,464 1.234,465 3.661,466 3.639,467 4.722,468 6.157,469 10.164,470 12.84,471 1.181,472 1.393,473 2.924,474 92.639,475 0.886,476 0.821,477 1.608,478 1,480 3.562,481 1.081,482 1.128,483 14.75,485 1.608,490 2.749,492 4.303,494 6.038,496 7.808,498 9.585,500 11.363,502 13.142,504 7.974,505 4.025,506 0.014,507 16.629,508 16.629,509 16.629,510 16.629,511 16.629,512 16.791,513 -0.897,514 -0.897,515 1.293,516 1.205,517 1.159,518 11.775,519 11.301,520 11.775,521 4.228,522 3.505,523 4.731,524 87.063,525 5}
{0 CHEMBL257570,1 1.726,2 11.615,3 1.366,4 1.994,5 1.074,6 0.134,7 3.478,8 6.179,9 6.179,10 16.813,11 5.584,12 3.386,13 5.378,14 41.773,15 18.27,16 33.005,17 4.95,18 2.092,19 1.119,20 1.119,21 2.687,22 17,23 0.34,24 3.985,25 17.629,26 2.09,27 0.862,28 41.3,29 3,30 2.062,31 0.68,32 17,33 18,34 13,35 9.911,36 5.635,37 5.791,38 6.192,39 6.389,40 6.656,41 6.961,42 17,43 4.019,44 4.054,45 3.959,46 2.061,47 2.071,48 17,49 4.248,50 34.011,51 3.546,52 4.348,53 4.618,54 21.181,55 1,56 10.255,57 11.923,58 13.004,59 14.531,60 15.728,61 17.178,62 18.44,63 19.849,64 21.148,65 1.454,66 0.877,67 0.575,68 0.706,69 3.674,70 1.948,71 3.487,72 1.049,73 1.973,74 0.815,75 0.815,76 0.852,77 1.086,78 0.924,79 0.321,80 4.649,81 4.874,82 3.921,83 3.827,84 4.745,85 5.011,86 4.566,87 3.451,88 3.382,89 3.384,90 3.343,91 9.337,92 1.261,93 22.8,94 12.027,95 27.119,96 11.86,97 21.638,98 0.862,99 4.354,100 14.788,101 1.126,102 18.648,103 0.746,104 1.499,105 0.469,106 1.181,107 0.218,108 40.111,109 0.449,110 6.718,111 0.175,112 6.297,113 3.805,114 2.544,115 0.026,116 1,117 11.68,118 7.292,119 0.63,120 3.914,121 4.05,122 4.416,123 4.604,124 4.193,125 4.406,126 0.713,127 9.501,128 4.082,129 5.52,130 1.088,131 17.075,132 0.768,133 14.802,134 6.211,135 0.566,136 0.676,138 3,139 4,140 6,141 10.171,142 4.012,143 2.215,144 1.572,145 1,146 1,147 1,148 3.926,149 26.567,150 5.612,151 0.792,152 1.037,153 0.844,154 1.027,155 0.979,156 6,157 1,158 3.309,159 1,160 1,161 254.084,162 0.069,163 -0.004,164 -0.094,165 10.9,166 1,167 3,168 3,169 1,170 46,171 48,173 5,174 1,175 21,176 2,177 8.8,178 2.799,179 0.963,180 5.444,181 235.422,182 25.145,183 260.567,184 235.422,185 235.422,186 25.145,187 223.651,188 49.744,189 235.422,190 235.422,191 20.801,192 235.422,193 0.571,194 6,195 17.158,196 7.932,197 4.445,198 453.836,199 45.905,200 52.023,201 0.599,202 0.715,203 0.796,204 3.926,205 30.574,206 6.926,207 1.474,208 1.474,209 2.874,210 3.009,211 2.687,212 2.854,213 2.925,214 2.735,215 2.715,216 0.145,217 3.926,218 1.253,219 1.986,220 1.195,221 1.966,222 0.97,223 1.885,224 0.934,225 0.821,226 1.196,227 0.312,228 0.886,229 0.821,230 1.075,231 1.107,232 1.031,234 29.036,235 42.064,236 92,237 182.466,238 307.51,239 436.977,240 14.385,241 8.221,242 7.957,243 8.32,244 5.238,245 9.385,246 0.171,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 99.548,258 25.2,259 27.423,260 29.606,261 31.817,262 -0.005,263 3.869,264 1.131,265 -0.039,266 1.681,267 3.677,268 81.491,269 1.874,270 3.699,271 3.76,272 3.631,273 3.682,274 0.201,275 0.29,276 12,277 17.202,278 1.257,279 7.444,280 1,281 2.398,282 4.595,283 0.323,284 3.391,285 1,286 20.787,287 23.042,288 0.297,289 5.764,290 5.651,291 4.801,292 4.524,293 7.923,294 5.269,295 8.001,296 2.915,297 4.915,298 2.915,299 0.752,300 1,302 36.916,303 43.977,304 36,305 2,306 1.721,307 3.247,308 2,309 1,310 2.136,311 1,312 1.684,313 2.936,314 0.448,315 3.611,316 5.666,317 6.515,318 3.624,319 36.5,320 4.822,321 5.624,322 4.29,323 4.26,324 5.753,325 1,326 2.136,327 53.072,328 108.575,329 1.75,330 152.217,331 8.521,332 8.521,333 5.148,334 5.148,335 144,336 1.745,337 179.774,338 0.088,339 0.805,340 4.021,341 0.126,342 0.733,343 0.208,344 1.285,345 3,346 3.964,347 0.083,348 0.287,349 3.28,350 3.562,351 3.562,352 2,353 0.113,354 75.801,355 18.685,356 14.7,357 15.775,358 1.903,359 0.085,360 3.425,361 3.852,362 3.768,363 4.78,364 3.651,365 1.136,366 6.758,367 10.051,368 6.54,369 9.924,370 3.846,371 0.062,372 3.846,373 1.692,374 1.445,375 3.398,376 11.544,377 0.259,378 -5.06,379 -4.95,380 -4.64,381 3.826,382 14.639,383 3.693,384 6.915,385 4.287,386 4.287,387 3.802,388 1.122,389 5.467,390 5.648,391 5.396,392 19.038,393 0.393,394 1.298,396 10,397 4,398 2,399 1,400 2.621,401 1,402 -0.463,403 0.578,404 1.085,405 3.943,406 1,407 0.219,408 0.001,409 4,410 5,411 1,413 69.531,414 69.531,415 0.125,416 2.621,417 7.429,418 5.211,419 3.414,420 3.094,421 1.157,422 1.111,423 1.486,424 0.531,425 1.239,426 1.26,427 4.191,428 216.574,429 216.574,430 104,431 3.967,432 6.519,433 6.985,434 5.171,435 0.537,436 3.761,437 1.037,438 1.037,439 11.276,440 0.195,441 0.315,442 0.512,443 22.222,444 3.507,445 6.555,446 2.829,447 3.773,448 0.096,449 137.345,450 123.737,451 123.737,452 123.737,453 0.5,454 1.507,455 181.78,456 202.309,457 0.189,458 0.983,459 6.913,460 2.51,461 1.51,462 42.111,464 1.338,465 3.82,466 3.763,467 6.609,468 8.392,469 10.213,470 13.997,471 1.383,472 1.631,473 2.939,474 101.169,475 1.002,476 0.909,477 1.511,478 2,480 3.055,481 0.473,482 1.128,483 15,485 1.511,488 1,490 1.331,492 1.343,494 1.438,496 1.555,498 1.679,500 1.807,502 1.939,504 3.107,505 4.025,507 16.913,508 16.913,509 16.913,510 16.913,511 16.913,512 17.047,513 -0.914,514 -0.914,515 1.424,516 1.417,517 1.308,518 12.131,519 11.707,520 12.131,521 4.23,522 3.505,523 4.722,524 104.713,525 5}
{0 CHEMBL257777,1 1.556,2 12.182,3 1.048,4 1.994,5 1.074,6 0.134,7 3.319,8 6.165,9 6.165,10 16.597,11 5.423,12 3.359,13 5.282,14 30.262,15 15.207,16 21.515,17 4.945,18 2.069,19 1.077,20 1.077,21 2.687,22 17,23 0.337,24 3.978,25 17.591,26 2.09,27 0.926,28 41.3,29 3,30 2.062,31 0.68,32 17,33 18,34 13,35 9.849,36 5.641,37 5.796,38 6.202,39 6.385,40 6.657,41 6.956,42 17,43 4.017,44 4.05,45 3.959,46 2.06,47 2.07,48 17,49 4.248,50 33.517,51 3.478,52 4.223,53 4.463,54 18.751,55 1,56 10.183,57 11.861,58 12.909,59 14.442,60 15.612,61 17.065,62 18.306,63 19.715,64 20.998,65 1.454,66 0.843,67 0.575,68 0.706,69 3.674,70 1.948,71 3.416,72 0.944,73 1.973,74 0.815,75 0.815,76 0.852,77 1.066,78 0.924,79 0.315,80 4.643,81 4.872,82 3.895,83 3.802,84 4.701,85 4.969,86 4.487,87 3.401,88 3.334,89 3.318,90 3.272,91 9.248,92 1.248,93 22.82,94 11.713,95 26.056,96 11.27,97 19.955,98 0.806,99 4.101,100 14.764,101 1.126,102 18.367,103 0.735,104 1.499,105 0.469,106 1.181,107 0.218,108 39.681,109 0.449,110 6.717,111 0.174,112 6.28,113 3.684,114 2.457,115 0.025,116 1,117 12.32,118 7.292,119 0.63,120 3.914,121 4.05,122 4.418,123 4.607,124 4.253,125 4.512,126 0.713,127 9.501,128 4.082,129 5.52,130 1.092,131 17.141,132 0.781,133 16.769,134 6.217,135 0.566,136 0.676,138 3,139 1,140 4,141 10.193,142 4.012,143 2.215,144 1.572,145 1,146 1,147 1,148 3.926,149 26.567,150 5.643,151 0.792,152 1.077,153 0.845,154 1.037,155 0.982,156 6,157 1,158 3.309,159 1,160 1,161 254.084,162 0.032,163 -0.023,164 -0.091,165 10.9,166 1,167 3,168 3,169 1,170 46,171 48,173 5,174 1,175 21,176 2,177 8.8,178 2.799,179 0.963,180 5.444,181 235.422,182 25.145,183 260.567,184 235.422,185 235.422,186 25.145,187 225.979,188 49.867,189 235.422,190 235.422,191 20.801,192 235.422,193 0.572,194 6,195 17.158,196 7.932,197 4.663,198 453.836,199 45.905,200 52.023,201 0.599,202 0.715,203 0.796,204 3.926,205 30.574,206 6.926,207 1.473,208 1.473,209 2.874,210 3.009,211 2.687,212 2.854,213 2.925,214 2.735,215 2.715,216 0.145,217 3.926,218 1.238,219 1.978,220 1.195,221 1.949,222 0.967,223 1.89,224 0.934,225 0.821,226 1.211,227 0.314,228 0.886,229 0.821,230 1.062,231 1.107,232 0.971,234 29.036,235 42.169,236 98,237 182.466,238 307.51,239 436.977,240 14.385,241 8.221,242 7.958,243 8.32,244 5.234,245 9.353,246 0.166,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 99.548,258 24.804,259 27.004,260 29.158,261 31.347,262 -0.028,263 3.857,264 1.131,265 -0.053,266 1.658,267 3.712,268 81.491,269 1.885,270 3.665,271 3.713,272 3.563,273 3.617,274 0.201,275 0.243,276 12,277 18.045,278 1.382,279 7.403,280 1,281 2.398,282 4.595,283 0.337,284 3.391,285 1,286 20.452,287 22.683,288 0.3,289 5.735,290 5.624,291 4.717,292 4.412,293 7.513,294 4.819,295 7.26,296 2.915,297 4.915,298 2.915,299 0.752,300 1,302 36.916,303 41.527,304 36,305 1,306 1.841,307 3.247,308 1.736,309 0.755,310 1.786,311 0.738,312 1.698,313 2.983,314 0.479,315 3.611,316 5.659,317 6.506,318 3.624,319 36.5,320 4.822,321 5.617,322 4.29,323 4.263,324 5.752,325 0.755,326 1.786,327 53.035,328 108.062,329 1.748,330 152.217,331 8.423,332 8.423,333 5.055,334 5.055,335 143,336 1.728,337 185.475,338 0.085,339 0.805,340 4.002,341 0.127,342 0.698,343 0.099,344 0.893,345 3,346 3.963,347 0.083,348 0.287,349 3.278,350 3.561,351 3.561,352 2,353 0.113,354 75.646,355 18.398,356 14.515,357 15.578,358 1.904,359 0.084,360 3.447,361 3.8,362 3.696,363 4.666,364 3.586,365 1.057,366 5.967,367 8.878,368 6.227,369 9.343,370 3.736,371 0.062,372 3.736,373 1.675,374 1.503,375 3.489,376 12.171,377 0.259,378 -5.06,379 -4.95,380 -4.64,381 3.826,382 14.639,383 3.768,384 7.217,385 4.283,386 4.283,387 3.805,388 1.11,389 5.488,390 5.66,391 5.355,392 20.735,393 0.384,394 1.239,396 10,397 4,398 1,399 1,400 2.624,401 1,402 -0.435,403 0.578,404 1.072,405 4.023,406 1,407 0.219,408 -0.008,409 4,410 5,411 1,413 69.531,414 69.531,415 0.125,416 2.624,417 7.429,418 5.18,419 3.424,420 3.096,421 1.16,422 1.087,423 1.542,424 0.55,425 1.239,426 1.276,427 4.174,428 216.574,429 216.574,430 108,431 3.965,432 6.471,433 6.977,434 5.158,435 0.537,436 3.738,437 1,438 1,439 11.442,440 0.187,441 0.305,442 0.484,443 22.222,444 3.588,445 6.555,446 2.867,447 3.777,448 0.091,449 137.678,450 123.737,451 123.737,452 123.737,453 0.5,454 1.501,455 181.78,456 202.309,457 0.191,458 1.006,459 6.847,460 2.5,461 1.5,462 47.008,464 1.328,465 3.811,466 3.758,467 6.51,468 8.112,469 10.182,470 13.971,471 1.416,472 1.519,473 3.122,474 98.542,475 1.089,476 1.022,477 1.511,478 2,480 2.91,481 0.473,482 1.113,483 15,485 1.511,488 1,490 1.331,492 1.343,494 1.438,496 1.555,498 1.679,500 1.807,502 1.939,504 3.107,505 4.023,507 16.861,508 16.861,509 16.861,510 16.861,511 16.861,512 16.992,513 -0.93,514 -0.93,515 1.427,516 1.417,517 1.308,518 12.114,519 11.696,520 12.114,521 4.129,522 3.505,523 4.708,524 104.591,525 5}
{0 CHEMBL257778,1 1.207,2 11.588,3 1.013,4 1.994,5 1.026,6 0.148,7 3.054,8 6.165,9 6.165,10 16.597,11 5.394,12 3.362,13 5.352,14 32.395,15 13.716,16 33.107,17 4.945,18 2.069,19 1.077,20 1.077,21 2.687,22 16,23 0.337,24 3.97,25 17.319,26 2.09,27 1.275,28 42.9,29 3,30 2.062,31 0.68,32 17,33 19,34 13,35 9.941,36 5.657,37 5.823,38 6.233,39 6.394,40 6.67,41 6.972,42 17,43 4.016,44 4.047,45 3.959,46 2.06,47 2.07,48 17,49 4.322,50 33.517,51 3.417,52 4.152,53 4.375,54 16.869,55 1,56 10.214,57 11.881,58 12.929,59 14.457,60 15.626,61 17.077,62 18.318,63 19.725,64 21.008,65 1.463,66 0.837,67 0.549,68 0.706,69 3.691,70 1.948,71 3.407,72 0.867,73 1.973,74 0.589,75 0.589,76 0.891,77 1.067,78 0.924,79 0.315,80 4.521,81 4.715,82 3.786,83 3.735,84 4.522,85 4.743,86 4.394,87 3.316,88 3.28,89 3.209,90 3.205,91 7.294,92 1.104,93 18.764,94 8.703,95 19.846,96 8.566,97 17.018,98 0.742,99 3.462,100 14.557,101 0.929,102 16.173,103 0.647,104 1.496,105 0.314,106 1.181,107 0.218,108 43.455,109 0.449,110 6.263,111 0.155,112 5.564,113 3.52,114 2.319,115 0.024,116 1,117 12.32,118 7.986,119 0.63,120 3.843,121 3.966,122 4.321,123 4.488,124 4.104,125 4.324,126 0.66,127 7.356,128 3.542,129 4.403,130 0.998,131 13.625,132 0.691,133 13.507,134 4.492,135 0.582,136 0.673,138 3,140 1,141 9.888,142 3.766,143 2.035,144 1.513,145 1,146 1,147 1,148 3.926,149 26.133,150 4.915,151 0.703,152 1.085,153 0.803,154 1.045,155 0.971,157 1,158 3.357,159 1,160 1,161 226.477,162 0.013,163 -0.061,164 -0.108,165 11.9,166 1,167 3,168 3,169 1,170 42,171 44,173 3,174 1,175 17,176 2,177 7.883,178 2.383,179 0.972,180 5.197,181 188.338,182 50.29,183 238.627,184 188.338,185 188.338,186 50.29,187 190.666,188 49.867,189 188.338,190 188.338,191 25.934,192 188.338,193 0.572,194 6,195 16.844,196 7.713,197 4.51,198 428.204,199 42.465,200 47.402,201 0.623,202 0.719,203 0.828,204 3.926,205 28.506,206 6.926,207 1.471,208 1.473,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.735,215 2.715,216 0.145,217 3.926,218 1.195,219 1.904,220 0.969,221 1.893,222 0.943,223 1.855,224 0.886,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.107,232 0.221,234 27.697,235 42.169,236 98,237 173.942,238 296.36,239 416.179,240 13.716,241 7.701,242 7.504,243 7.814,244 5.25,245 9.379,246 0.166,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 15,255 3,256 85.286,257 104.681,258 24.804,259 27.004,260 29.158,261 31.347,262 -0.173,263 3.859,264 1.129,265 -0.164,266 1.565,267 3.847,268 81.491,269 1.873,270 3.67,271 3.651,272 3.561,273 3.557,274 0.227,275 0.276,276 12,277 24.145,278 1.382,279 7.451,280 1,281 2.398,282 4.595,283 0.379,284 3.391,285 1,286 20.452,287 22.683,288 0.3,289 5.75,290 5.628,291 4.608,292 4.327,293 6.336,294 4.415,295 6.158,296 2.915,297 4.915,298 2.915,299 0.774,302 50.29,303 32.701,304 36,305 1,306 2.117,307 3.247,308 1.737,309 0.755,310 1.786,311 0.739,312 1.701,313 2.983,314 0.48,315 3.611,316 5.659,317 6.506,318 3.651,319 37.5,320 4.846,321 5.617,322 4.29,323 4.274,324 5.771,325 0.755,326 1.786,327 54.124,328 108.062,329 1.748,330 141.012,331 8.423,332 8.423,333 5.055,334 5.055,335 143,336 1.618,337 185.475,338 0.085,339 0.833,340 4.002,341 0.127,342 0.698,343 0.235,344 0.991,345 3,346 3.963,347 0.083,348 0.291,349 3.273,350 3.592,351 3.592,352 2,353 0.1,354 76.223,355 18.398,356 14.515,357 15.578,358 1.82,359 0.08,360 3.445,361 3.705,362 3.62,363 4.574,364 3.506,365 0.952,366 5.808,367 7.943,368 5.897,369 8.523,370 3.743,371 0.053,372 3.743,373 1.672,374 1.46,375 1.952,376 3.811,377 0.282,378 -3.99,379 -3.94,380 -3.74,381 2.761,382 7.621,383 3.768,384 7.217,385 4.283,386 4.283,387 3.802,388 1.185,389 5.517,390 5.716,391 5.355,392 21.314,393 0.464,394 1.082,396 10,397 4,398 1,399 1,400 2.624,401 1,402 -0.124,403 0.622,404 1.056,405 4.023,406 1,407 0.134,408 -0.037,409 4,410 5,411 2,413 69.531,414 69.531,415 0.136,416 2.624,417 7.431,418 7.426,419 3.401,420 3.082,421 1.123,422 1.079,423 1.486,424 0.522,425 1.062,426 1.107,427 1.448,428 201.722,429 201.722,430 108,431 3.964,432 7.2,433 7.01,434 5.158,435 0.524,436 3.735,437 1,438 1,439 11.442,440 0.187,441 0.305,442 0.484,443 22.222,444 3.588,445 6.555,446 2.861,447 3.78,448 0.091,449 139.782,450 120.046,451 120.046,452 120.046,454 1.501,455 162.928,456 187.458,457 0.191,458 1.105,459 6.847,460 2.5,461 1.5,462 50.056,463 0.002,464 1.328,465 3.723,466 3.701,467 5.55,468 6.732,469 10.182,470 13.512,471 1.212,472 1.45,473 3.122,474 94.584,475 1.082,476 0.988,477 1.627,478 2,480 3.561,481 1.081,482 1.125,483 15.25,485 1.627,490 2.466,491 2.036,492 3.527,493 3.815,494 4.914,495 5.491,496 6.426,497 7.123,498 7.984,499 8.733,500 9.56,501 10.334,502 11.145,503 11.93,504 7.852,505 4.024,506 0.005,507 16.861,508 16.861,509 16.861,510 16.861,511 16.861,512 16.939,513 -0.93,514 -0.93,515 1.421,516 1.416,517 1.276,518 12.114,519 11.616,520 12.114,521 4.137,522 3.505,523 4.717,524 95.765,525 5}
{0 CHEMBL257961,1 1.113,2 11.502,3 1.067,4 1.994,5 1.089,6 0.095,7 2.968,8 6.165,9 6.165,10 16.615,11 5.462,12 3.421,13 5.439,14 36.624,15 15.101,16 40.097,17 4.945,18 2.07,19 1.079,20 1.079,21 2.687,22 16,23 0.325,24 3.966,25 17.243,26 2.09,27 1.043,28 41.9,29 3,30 2.059,31 0.654,32 17,33 19,34 13,35 10.026,36 5.668,37 5.836,38 6.251,39 6.42,40 6.677,41 6.982,42 17,43 4.016,44 4.046,45 3.959,46 2.06,47 2.07,48 17,49 4.322,50 33.524,51 3.458,52 4.232,53 4.453,54 17.454,55 1,56 10.224,57 11.888,58 12.936,59 14.462,60 15.631,61 17.081,62 18.322,63 19.728,64 21.011,65 1.43,66 0.812,67 0.543,68 0.706,69 3.747,70 1.95,71 3.487,72 0.899,73 1.973,74 0.576,75 0.576,76 0.894,77 1.067,78 1.083,79 0.326,80 4.516,81 4.702,82 3.79,83 3.753,84 4.541,85 4.732,86 4.455,87 3.35,88 3.325,89 3.216,90 3.233,91 6.934,92 1.093,93 18.084,94 8.494,95 19.163,96 8.202,97 18.587,98 0.775,99 3.283,100 15.479,101 0.907,102 16.667,103 0.641,104 1.471,105 0.314,106 1.181,107 0.218,108 44.862,109 0.452,110 6.339,111 0.147,112 5.438,113 3.654,114 2.3,115 0.023,116 1,117 13.038,118 8.172,119 0.607,120 3.878,121 3.992,122 4.356,123 4.513,124 4.068,125 4.246,126 0.668,127 7.291,128 3.622,129 4.304,130 0.994,131 14.193,132 0.672,133 11.764,134 3.913,135 0.593,136 0.681,138 3,141 10.295,142 3.742,143 1.988,144 1.478,145 1,146 1,147 1,148 3.926,149 27.6,150 5.071,151 0.685,152 1.017,153 0.837,154 0.949,155 0.92,157 1,158 3.439,159 1,160 1,161 233.329,162 0.078,163 0.037,164 -0.072,165 11.6,166 1,167 3,168 3,169 1,170 43,171 45,173 3,174 1,175 17,176 2,177 8.05,178 2.341,179 0.961,180 5.719,181 188.338,182 61.29,183 249.627,184 188.338,185 188.338,186 61.29,187 190.666,188 49.867,189 188.338,190 188.338,191 27.992,192 188.338,193 0.568,194 7,195 17.773,196 8.366,197 4.752,198 443.32,199 43.793,200 48.611,201 0.634,202 0.728,203 0.833,204 3.926,205 28.96,206 6.926,207 1.454,208 1.458,209 2.909,210 2.976,211 2.75,212 2.854,213 2.925,214 2.735,215 2.715,216 0.14,217 3.926,218 1.195,219 1.904,220 0.968,221 1.892,222 0.869,223 1.813,224 0.886,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.107,232 -0.015,233 4.524,234 28.412,235 44.767,236 114,237 177.939,238 305.15,239 425.93,240 14.124,241 7.772,242 7.602,243 7.927,244 5.255,245 9.389,246 0.163,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 15,255 3,256 85.286,257 117.622,258 24.815,259 27.014,260 29.166,261 31.355,262 -0.1,263 3.858,264 1.13,265 -0.108,266 1.499,267 4.034,268 85.455,269 1.859,270 3.728,271 3.681,272 3.638,273 3.581,274 0.424,275 0.361,276 13,277 26.304,278 1.382,279 7.462,280 1,281 2.398,282 4.595,283 0.476,284 3.536,285 1,286 20.465,287 22.695,288 0.295,289 5.843,290 5.674,291 4.676,292 4.366,293 6.418,294 4.448,295 6.128,296 2.915,297 4.915,298 2.915,299 0.78,302 61.29,303 23.876,304 37,305 1,306 2.118,307 3.247,308 1.744,309 0.767,310 1.802,311 0.747,312 1.704,313 3.011,314 0.497,315 3.638,316 5.694,317 6.535,318 3.676,319 38.5,320 4.869,321 5.645,322 4.317,323 4.279,324 5.768,325 0.767,326 1.802,327 55.134,328 110.719,329 1.748,330 147.864,331 9.05,332 9.05,333 5.228,334 5.228,335 148,336 1.552,337 195.35,338 0.084,339 0.837,340 3.954,341 0.126,342 0.698,343 0.401,344 1.025,345 3,346 3.963,347 0.083,348 0.283,349 3.277,350 3.696,351 3.696,352 2,353 0.097,354 80.566,355 18.415,356 14.535,357 15.597,358 1.72,359 0.079,360 3.443,361 3.724,362 3.634,363 4.61,364 3.525,365 0.973,366 6.248,367 8.7,368 5.693,369 8.284,370 3.744,371 0.057,372 3.744,373 1.66,374 1.52,375 2.217,376 4.917,377 0.291,378 -4.05,379 -4,380 -3.79,381 2.824,382 7.977,383 3.83,384 7.51,385 4.283,386 4.283,387 3.801,388 1.288,389 5.601,390 5.724,391 5.374,392 33.671,393 0.611,394 1.075,396 10,397 4,398 1,399 1,400 2.625,401 1,402 -0.064,403 0.642,404 1.03,405 4.316,406 1,407 0.081,408 0.003,409 4,410 5,411 3,412 1,413 69.531,414 69.531,415 0.156,416 2.625,417 7.433,418 7.428,419 3.395,420 3.064,421 1.163,422 1.085,423 1.533,424 0.565,425 1.136,426 1.107,427 1.281,428 208.574,429 208.574,430 117,431 3.964,432 7.581,433 7.022,434 5.159,435 0.624,436 3.792,437 1,438 1,439 11.764,440 0.183,441 0.299,442 0.471,443 22.222,444 3.663,445 6.555,446 2.898,447 3.822,448 0.091,449 146.881,450 124.161,451 124.161,452 124.161,454 1.503,455 169.781,456 194.31,457 0.197,458 1.024,459 6.916,460 2.5,461 1.5,462 51.805,463 -0.017,464 1.328,465 3.713,466 3.708,467 5.527,468 6.639,469 10.657,470 13.757,471 1.212,472 1.468,473 3.123,474 95.802,475 1.094,476 1.052,477 1.684,478 1,480 3.561,481 1.081,482 1.185,483 16.25,485 1.684,489 1,490 2.665,491 2.243,492 3.951,493 4.321,494 5.568,495 6.24,496 7.301,497 8.097,498 9.077,499 9.929,500 10.87,501 11.749,502 12.672,503 13.564,504 8.857,505 4.024,506 -0.045,507 17.731,508 17.731,509 17.731,510 17.731,511 17.731,512 18.018,513 -0.868,514 -0.868,515 1.409,516 1.525,517 1.276,518 12.652,519 12.008,520 12.652,521 4.14,522 3.505,523 4.744,524 97.823,525 5}
{0 CHEMBL258162,1 1.207,2 11.74,3 1.147,4 1.994,5 1.227,6 -0.002,7 3.028,8 6.165,9 6.165,10 16.736,11 5.563,12 3.463,13 5.483,14 39.911,15 16.777,16 37.967,17 4.946,18 2.091,19 1.103,20 1.103,21 2.687,22 16,23 0.314,24 3.973,25 17.319,26 2.09,27 1.087,28 40.4,29 3,30 2.035,31 0.63,32 17,33 19,34 13,35 10.104,36 5.678,37 5.849,38 6.268,39 6.446,40 6.684,41 6.991,42 17,43 4.017,44 4.048,45 3.959,46 2.06,47 2.07,48 17,49 4.322,50 33.579,51 3.548,52 4.323,53 4.559,54 19.683,55 1,56 10.258,57 11.91,58 12.961,59 14.481,60 15.65,61 17.096,62 18.336,63 19.74,64 21.022,65 1.455,66 0.841,67 0.562,68 0.712,69 3.748,70 1.906,71 3.564,72 1.004,73 1.973,74 0.798,75 0.798,76 0.856,77 1.085,78 1.113,79 0.328,80 4.623,81 4.817,82 3.9,83 3.846,84 4.71,85 4.932,86 4.571,87 3.453,88 3.409,89 3.321,90 3.313,91 8.153,92 1.229,93 20.88,94 10.221,95 25.102,96 10.622,97 22.023,98 0.868,99 3.613,100 15.841,101 1.102,102 18.435,103 0.683,104 1.505,105 0.469,106 1.181,107 0.218,108 50.043,109 0.449,110 6.738,111 0.158,112 6.15,113 3.931,114 2.383,115 0.024,116 1,117 13.185,118 7.754,119 0.586,120 3.95,121 4.082,122 4.443,123 4.632,124 4.159,125 4.348,126 0.749,127 8.859,128 3.867,129 5.068,130 1.118,131 16.847,132 0.749,133 13.439,134 4.918,135 0.578,136 0.667,138 3,141 10.863,142 3.929,143 2.15,144 1.623,145 1,146 1,147 1,148 3.926,149 28.833,150 5.356,151 0.732,152 0.957,153 0.817,154 0.875,155 0.854,157 1,158 3.405,159 1,160 1,161 261.066,162 0.176,163 0.103,164 -0.147,165 12.8,166 1,167 3,168 3,169 1,170 47,171 49,173 4,174 1,175 20,176 2,177 9.083,178 2.583,179 0.962,180 5.944,181 223.651,182 50.29,183 273.941,184 223.651,185 223.651,186 50.29,187 225.979,188 49.867,189 223.651,190 223.651,191 25.505,192 223.651,193 0.578,194 6,195 18.743,196 8.563,197 4.991,198 474.181,199 47.451,200 53.315,201 0.613,202 0.708,203 0.802,204 3.926,205 31.273,206 6.926,207 1.481,208 1.481,209 2.911,210 3.009,211 2.786,212 2.874,213 2.975,214 2.735,215 2.715,216 0.135,217 3.926,218 1.195,219 1.904,220 0.969,221 1.897,222 0.942,223 1.883,224 0.934,225 0.821,226 1.212,227 0.314,228 0.886,229 0.821,230 1.122,231 1.107,232 0.143,234 30.246,235 47.435,236 108,237 190.329,238 324.66,239 456.163,240 15.163,241 8.282,242 8.031,243 8.432,244 5.26,245 9.414,246 0.156,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 15,255 3,256 85.286,257 121.045,258 24.887,259 27.084,260 29.23,261 31.415,262 -0.074,263 3.863,264 1.134,265 -0.136,266 1.563,267 4.034,268 89.419,269 1.884,270 3.766,271 3.762,272 3.697,273 3.651,274 0.34,275 0.361,276 20,277 25.888,278 1.382,279 7.507,280 1,281 2.398,282 4.595,283 0.454,284 3.808,285 1,286 20.548,287 22.776,288 0.298,289 5.935,290 5.731,291 4.817,292 4.469,293 7.767,294 4.691,295 6.941,296 2.915,297 4.915,298 2.915,299 0.755,302 50.29,303 27.001,304 39,305 1,306 2.12,307 3.265,308 2,309 1,310 2.136,311 1,312 2.202,313 3.247,314 1.044,315 3.689,316 5.74,317 6.583,318 3.701,319 39.5,320 4.907,321 5.707,322 4.369,323 4.334,324 5.835,325 1,326 2.136,327 57.26,328 117.802,329 1.748,330 160.033,331 9.461,332 9.461,333 5.349,334 5.349,335 155,336 1.629,337 205.224,338 0.082,339 0.807,340 4.062,341 0.125,342 0.858,343 0.33,344 1.032,345 3,346 3.963,347 0.082,348 0.302,349 3.3,350 3.708,351 3.708,352 2,353 0.133,354 82.431,355 18.505,356 14.657,357 15.717,358 1.833,359 0.082,360 3.529,361 3.829,362 3.713,363 4.72,364 3.616,365 1.092,366 6.665,367 9.914,368 5.747,369 8.774,370 3.746,371 0.061,372 3.746,373 1.678,374 1.622,375 1.776,376 3.154,377 0.276,378 -3.88,379 -3.84,380 -3.64,381 2.651,382 7.026,383 3.869,384 7.741,385 4.283,386 4.283,387 3.804,388 1.293,389 5.597,390 5.811,391 5.417,392 23.481,393 0.618,394 1.221,396 10,397 4,398 1,399 1,400 2.635,401 1,402 -0.07,403 0.613,404 1.113,405 4.31,406 1,407 0.12,408 0.084,409 4,410 6,411 2,413 72.656,414 72.656,415 0.122,416 2.635,417 7.43,418 7.426,419 3.456,420 3.118,421 1.301,422 1.198,423 1.646,424 0.712,425 1.239,426 1.276,427 3.312,428 223.556,429 223.556,430 126,431 3.965,432 7.669,433 7.047,434 5.159,435 0.578,436 3.854,437 1.019,438 1.019,439 13.923,440 0.181,441 0.296,442 0.463,443 25.346,444 3.682,445 6.555,446 2.978,447 3.862,448 0.124,449 151.641,450 127.584,451 127.584,452 127.584,454 1.516,455 184.762,456 209.291,457 0.197,458 1.057,459 6.978,460 2.5,461 1.5,462 53.289,463 -0.03,464 1.328,465 3.797,466 3.777,467 5.811,468 7.566,469 10.771,470 14.512,471 1.417,472 1.54,473 3.134,474 102.649,475 1.096,476 1.069,477 1.626,478 1,480 3.561,481 1.081,482 1.185,483 17,485 1.626,490 2.399,491 1.668,492 3.198,493 3.205,494 4.323,495 4.673,496 5.584,497 6.097,498 6.903,499 7.497,500 8.247,501 8.884,502 9.604,503 10.263,504 8.42,505 4.026,506 -0.063,507 18.068,508 18.068,509 18.068,510 18.068,511 18.068,512 18.284,513 -0.869,514 -0.869,515 1.425,516 1.568,517 1.308,518 13.025,519 12.424,520 13.025,521 4.152,522 3.505,523 4.77,524 106.857,525 5}
{0 CHEMBL258163,1 1.455,2 11.42,3 0.91,4 1.999,5 0.998,6 0.145,7 4.034,8 6.201,9 6.201,10 16.682,11 5.34,12 3.142,13 5.165,14 31.111,15 13.786,16 23.489,17 4.913,18 2.071,19 1.08,20 1.08,21 2.687,22 18,23 0.372,24 3.946,25 18.405,26 2.1,27 1.011,28 43.6,29 3,30 2.093,31 0.739,32 17,33 18,34 13,35 10.037,36 5.651,37 5.809,38 6.245,39 6.592,40 6.936,41 7.283,42 17,43 4.028,44 4.067,45 3.964,46 2.064,47 2.077,48 17,49 4.248,50 33.951,51 3.42,52 4.148,53 4.387,54 15.55,55 1,56 10.167,57 11.852,58 12.91,59 14.449,60 15.631,61 17.091,62 18.345,63 19.761,64 21.057,65 1.42,66 0.663,67 0.553,68 0.699,69 3.674,70 2,71 3.356,72 0.864,73 1.977,74 0.635,75 0.635,76 0.88,77 1.069,78 1.093,79 0.327,80 4.413,81 4.597,82 3.76,83 3.693,84 4.492,85 4.705,86 4.442,87 3.32,88 3.226,89 3.121,90 3.067,91 6.891,92 1.004,93 16.333,94 8.434,95 18.707,96 9.176,97 19.229,98 0.727,99 4.342,100 13.681,101 0.859,102 14.613,103 0.635,104 1.46,105 0.218,106 1.086,107 0.194,108 31.72,109 0.45,110 5.781,111 0.154,112 5.069,113 3.536,114 2.288,115 0.025,116 1,117 10.783,118 7.907,119 0.68,120 3.774,121 3.888,122 4.254,123 4.412,124 3.999,125 4.235,126 0.593,127 6.993,128 3.453,129 4.216,130 0.894,131 13.284,132 0.577,133 12.743,134 5.842,135 0.577,136 0.689,137 1,138 3,139 1,141 9.061,142 3.679,143 2.018,144 1.386,145 1,146 1,147 1,148 3.922,149 24.033,150 4.523,151 0.697,152 0.934,153 0.849,154 0.93,155 0.917,157 1,158 3.267,159 1,160 1,161 206.131,162 0.127,163 0.062,164 -0.121,165 10.3,166 1,167 3,168 3,169 1,170 39,171 41,172 1,173 3,174 1,175 16,176 2,177 7.383,178 2.174,179 0.968,180 4.672,181 188.338,182 36.145,183 224.482,184 188.338,185 188.338,186 36.145,187 188.338,188 49.744,189 188.338,190 188.338,191 23.716,192 188.338,193 0.565,194 6,195 15.229,196 7.057,197 3.751,198 395.888,199 39.363,200 43.903,201 0.618,202 0.738,203 0.837,204 3.922,205 26.5,206 6.922,207 1.448,208 1.451,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.735,215 2.715,216 0.157,217 3.922,218 1.237,219 1.93,220 1.055,221 1.914,222 0.883,223 1.8,224 0.886,225 0.821,226 1.181,227 0.218,228 0.885,229 0.821,230 1.062,231 1.107,232 0.569,233 4.638,234 25.676,235 37.034,236 80,237 160.483,238 270.7,239 383.339,240 12.716,241 7.102,242 6.919,243 7.223,244 5.211,245 9.332,246 0.171,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 112.917,258 25.084,259 27.322,260 29.517,261 31.743,262 -0.12,263 3.846,264 1.126,265 -0.17,266 1.531,267 3.738,268 70.72,269 1.82,270 3.602,271 3.643,272 3.62,273 3.553,274 0.308,275 0.268,276 8,277 16.621,278 1.007,279 7.368,280 1,281 2.398,282 4.595,283 0.399,284 2.915,285 1,286 20.649,287 22.916,288 0.291,289 5.6,290 5.571,291 4.686,292 4.285,293 6.731,294 4.733,295 6.591,296 2.882,297 4.882,298 2.882,299 0.782,302 36.145,303 8.745,304 33,306 1.579,307 2.834,308 1.23,309 0.349,310 0.499,311 0.303,312 1.352,313 2.733,314 0.044,315 3.526,316 5.587,317 6.435,318 3.57,319 34.5,320 4.756,321 5.533,322 4.205,323 4.163,324 5.64,325 0.349,326 0.499,327 49.493,328 98.5,329 1.76,330 127.421,331 8.063,332 8.063,333 4.97,334 4.97,335 133,336 1.577,337 154.705,338 0.092,339 0.822,340 3.94,341 0.122,342 0.763,343 0.181,344 0.805,345 3,346 3.97,347 0.081,348 0.269,349 2.971,350 3.702,351 3.702,352 2,353 0.077,354 71.226,355 18.545,356 14.562,357 15.642,358 1.733,359 0.084,360 3.398,361 3.724,362 3.612,363 4.506,364 3.493,365 0.984,366 6.261,367 9.082,368 5.073,369 6.855,370 3.834,371 0.074,372 3.834,373 1.572,374 1.423,375 2.888,376 8.341,377 0.284,378 -4.72,379 -4.64,380 -4.36,381 3.494,382 12.209,383 3.549,384 6.289,385 4.289,386 4.289,387 3.764,388 0.789,389 5.407,390 5.491,391 5.079,392 25.091,393 0.331,394 1.059,396 11,397 6,398 3,399 1,400 2.435,401 1,402 -0.532,403 0.616,404 1.085,405 4.176,406 1,407 0.172,408 0.016,409 4,410 4,411 2,412 1,413 51.521,414 51.521,415 0.146,416 2.435,417 7.432,418 5.209,419 3.178,420 2.927,421 1.12,422 1.028,423 1.448,424 0.561,425 1.062,426 1.107,427 1.342,428 181.376,429 181.376,430 87,431 3.977,432 6.735,433 6.945,434 5.116,435 0.57,436 3.65,437 1,438 1,439 8.869,440 0.209,441 0.333,442 0.559,443 4.64,444 3.397,445 6.555,446 2.798,447 3.692,448 0.077,449 128.613,450 119.885,451 119.885,452 119.885,454 1.499,455 152.092,456 172.621,457 0.192,458 1.066,459 6.347,460 2.5,461 1.5,462 40.992,463 -0.021,464 1.217,465 3.661,466 3.633,467 5.445,468 6.439,469 9.603,470 12.516,471 1.181,472 1.526,473 2.914,474 90.024,475 0.886,476 0.83,477 1.606,478 2,480 3.107,481 0.68,482 1.126,483 14,485 1.606,489 1,490 2.526,491 2.243,492 3.903,493 4.321,494 5.556,495 6.24,496 7.298,497 8.097,498 9.076,499 9.929,500 10.87,501 11.749,502 12.672,503 13.564,504 7.11,505 3.774,506 -0.043,507 15.87,508 15.87,509 15.87,510 15.87,511 15.87,512 16.127,513 -1.601,514 -1.601,515 1.259,516 1.436,517 1.15,518 11.258,519 10.741,520 11.258,521 4.212,522 3.279,523 4.667,524 97.946,525 5}
{0 CHEMBL258164,1 1.236,2 11.961,3 1.26,4 1.998,5 0.998,6 0.145,7 4.001,8 6.143,9 6.143,10 16.406,11 5.18,12 3.057,13 5.029,14 24.997,15 12.011,16 24.101,17 4.885,18 2,19 1,20 1,21 2.687,22 18,23 0.362,24 3.942,25 18.435,26 2.099,27 1.089,28 43.6,29 3,30 2.093,31 0.739,32 17,33 18,34 13,35 9.957,36 5.641,37 5.809,38 6.26,39 6.58,40 6.925,41 7.294,42 17,43 4.023,44 4.06,45 3.963,46 2.06,47 2.074,48 17,49 4.248,50 33.268,51 3.319,52 4.026,53 4.241,54 14.926,55 1,56 10.089,57 11.786,58 12.803,59 14.351,60 15.499,61 16.962,62 18.189,63 19.604,64 20.878,65 1.419,66 0.699,67 0.553,68 0.699,69 3.674,70 2,71 3.257,72 0.816,73 1.976,74 0.635,75 0.635,76 0.88,77 1,78 1.093,79 0.321,80 4.404,81 4.594,82 3.73,83 3.664,84 4.437,85 4.648,86 4.35,87 3.244,88 3.16,89 3.152,90 3.086,91 6.808,92 0.994,93 16.407,94 8.126,95 17.782,96 8.766,97 17.165,98 0.64,99 4.112,100 13.657,101 0.859,102 14.394,103 0.626,104 1.46,105 0.218,106 1.091,107 0.194,108 30.927,109 0.45,110 5.779,111 0.153,112 5.052,113 3.416,114 2.222,115 0.025,116 1,117 11.522,118 7.907,119 0.68,120 3.774,121 3.888,122 4.256,123 4.415,124 3.909,125 4.123,126 0.593,127 6.993,128 3.453,129 4.216,130 0.899,131 13.341,132 0.571,133 10.393,134 5.627,135 0.577,136 0.689,137 1,138 3,139 1,141 9.083,142 3.679,143 2.018,144 1.386,145 1,146 1,147 1,148 3.899,149 24.033,150 4.554,151 0.697,152 0.982,153 0.849,154 0.942,155 0.921,157 1,158 3.267,159 1,160 1,161 206.131,162 0.085,163 0.041,164 -0.114,165 10.3,166 1,167 3,168 3,169 1,170 39,171 41,172 1,173 3,174 1,175 16,176 2,177 7.383,178 2.174,179 0.968,180 4.672,181 188.338,182 36.145,183 224.482,184 188.338,185 188.338,186 36.145,187 190.666,188 49.867,189 188.338,190 188.338,191 23.716,192 188.338,193 0.566,194 6,195 15.229,196 7.057,197 3.949,198 395.888,199 39.363,200 43.903,201 0.618,202 0.738,203 0.837,204 3.899,205 26.5,206 6.899,207 1.446,208 1.449,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.735,215 2.715,216 0.156,217 3.899,218 1.231,219 1.925,220 1.033,221 1.896,222 0.844,223 1.805,224 0.886,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.079,232 0.534,233 4.569,234 25.676,235 37.179,236 88,237 160.483,238 270.7,239 383.339,240 12.716,241 7.102,242 6.92,243 7.223,244 5.207,245 9.297,246 0.167,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 112.917,258 24.559,259 26.758,260 28.909,261 31.098,262 -0.158,263 3.839,264 1.126,265 -0.189,266 1.488,267 3.747,268 70.72,269 1.85,270 3.572,271 3.588,272 3.507,273 3.476,274 0.309,275 0.226,276 8,277 17.272,278 1.257,279 7.324,280 1,281 2.398,282 4.595,283 0.286,284 2.915,285 1,286 20.216,287 22.446,288 0.294,289 5.603,290 5.435,291 4.593,292 4.213,293 6.369,294 4.171,295 5.476,296 2.876,297 4.876,298 2.876,299 0.782,302 36.145,303 6.294,304 33,306 1.782,307 2.932,308 1.24,309 0.362,310 0.532,311 0.313,312 1.34,313 2.685,314 0.047,315 3.526,316 5.58,317 6.425,318 3.57,319 34.5,320 4.756,321 5.525,322 4.205,323 4.165,324 5.639,325 0.362,326 0.532,327 49.435,328 97.911,329 1.755,330 127.421,331 7.957,332 7.957,333 4.855,334 4.855,335 132,336 1.535,337 162.647,338 0.088,339 0.822,340 3.916,341 0.124,342 0.533,343 0.21,344 1.253,345 3,346 3.968,347 0.082,348 0.269,349 3,350 3.696,351 3.696,352 2,353 0.077,354 71.071,355 18.181,356 14.331,357 15.394,358 1.709,359 0.083,360 3.408,361 3.67,362 3.542,363 4.465,364 3.4,365 0.918,366 5.691,367 8.248,368 4.611,369 6.682,370 3.747,371 0.074,372 3.747,373 1.549,374 1.509,375 2.979,376 8.874,377 0.284,378 -4.72,379 -4.64,380 -4.36,381 3.494,382 12.209,383 3.643,384 6.657,385 4.255,386 4.255,387 3.772,388 0.803,389 5.429,390 5.502,391 4.986,392 26.794,393 0.398,394 0.997,396 11,397 6,398 3,399 1,400 2.275,401 0.844,402 -0.517,403 0.616,404 1.067,405 4.176,406 1,407 0.172,408 0.005,409 4,410 4,411 2,412 1,413 51.521,414 51.521,415 0.146,416 2.275,417 7.432,418 5.179,419 3.223,420 2.935,421 1.16,422 1.064,423 1.523,424 0.565,425 1.062,426 1.107,427 1.328,428 181.376,429 181.376,430 92,431 3.971,432 6.687,433 6.937,434 5.057,435 0.57,436 3.624,437 1,438 1,439 9.023,440 0.198,441 0.319,442 0.517,443 4.64,444 3.496,445 6.555,446 2.791,447 3.696,448 0.081,449 128.946,450 119.885,451 119.885,452 119.885,454 1.492,455 152.092,456 172.621,457 0.194,458 1.097,459 6.315,460 2.5,461 1.5,462 31.106,463 -0.021,464 1.141,465 3.651,466 3.627,467 5.36,468 6.177,469 9.569,470 12.49,471 1.181,472 1.459,473 2.947,474 87.398,475 0.898,476 0.851,477 1.606,478 2,480 3.03,481 0.68,482 1,483 14,485 1.606,489 1,490 2.526,491 2.243,492 3.903,493 4.321,494 5.556,495 6.24,496 7.298,497 8.097,498 9.076,499 9.929,500 10.87,501 11.749,502 12.672,503 13.564,504 7.11,505 3.798,506 -0.043,507 15.817,508 15.817,509 15.817,510 15.817,511 15.817,512 16.072,513 -1.552,514 -1.552,515 1.304,516 1.508,517 1.107,518 11.242,519 10.73,520 11.242,521 4.143,522 3.288,523 4.653,524 97.823,525 5}
{0 CHEMBL402283,1 1.177,2 11.45,3 1.021,4 1.994,5 0.971,6 0.154,7 3.064,8 6.165,9 6.165,10 16.554,11 5.324,12 3.297,13 5.274,14 30.898,15 12.065,16 31.111,17 4.945,18 2.01,19 1.026,20 1.026,21 2.687,22 16,23 0.35,24 3.965,25 17.32,26 2.09,27 0.951,28 44.7,29 3,30 2.089,31 0.708,32 17,33 19,34 13,35 9.941,36 5.657,37 5.823,38 6.233,39 6.394,40 6.67,41 6.972,42 17,43 4.015,44 4.045,45 3.959,46 2.06,47 2.07,48 17,49 4.322,50 33.5,51 3.336,52 4.046,53 4.282,54 15.151,55 1,56 10.175,57 11.863,58 12.906,59 14.443,60 15.611,61 17.066,62 18.307,63 19.716,64 20.999,65 1.434,66 0.751,67 0.531,68 0.699,69 3.676,70 2,71 3.348,72 0.793,73 1.973,74 0.526,75 0.526,76 0.9,77 1.006,78 0.872,79 0.325,80 4.404,81 4.607,82 3.72,83 3.671,84 4.391,85 4.595,86 4.276,87 3.229,88 3.2,89 3.092,90 3.11,91 5.849,92 1.04,93 15.437,94 7.585,95 15.7,96 7.063,97 14.353,98 0.698,99 2.687,100 14.272,101 0.902,102 13.902,103 0.579,104 1.504,105 0.218,106 0.994,108 36.785,109 0.452,110 5.907,111 0.148,112 5.02,113 3.368,114 2.183,115 0.023,116 1,117 12.167,118 8.378,119 0.654,120 3.753,121 3.876,122 4.208,123 4.367,124 3.906,125 4.095,126 0.622,127 5.865,128 2.948,129 3.539,130 0.931,131 10.661,132 0.606,133 9.636,134 2.898,135 0.6,136 0.669,138 3,141 9.338,142 3.639,143 1.837,144 1.442,145 1,146 1,147 1,148 3.926,149 24.167,150 4.452,151 0.669,152 1.062,153 0.854,154 1.059,155 1.008,157 1,158 3.411,159 1,160 1,161 199.421,162 0.005,163 -0.104,164 -0.06,165 15.8,166 1,167 3,168 3,169 1,170 38,171 40,173 2,174 1,175 14,176 2,177 6.917,178 2.141,179 0.978,180 4.835,181 153.024,182 25.145,183 178.169,184 153.024,185 153.024,186 25.145,187 155.352,188 49.867,189 153.024,190 153.024,191 20.801,192 153.024,193 0.562,194 5,195 15.704,196 7.389,197 3.98,198 401.449,199 38.473,200 42.86,201 0.65,202 0.725,203 0.828,204 3.926,205 26.534,206 6.926,207 1.458,208 1.458,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.732,215 2.715,216 0.151,217 3.926,218 1.195,219 1.904,220 0.968,221 1.892,222 0.852,223 1.785,224 0.886,225 0.821,226 1.181,227 0.218,228 0.795,229 0.732,230 1.062,231 1.107,232 0.187,234 25.95,235 39.638,236 104,237 164.221,238 278.63,239 392.458,240 12.755,241 7.227,242 7.094,243 7.334,244 5.25,245 9.355,246 0.172,247 9,248 20.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 116.149,258 24.783,259 26.983,260 29.139,261 31.329,262 -0.079,263 3.852,264 1.128,265 -0.084,266 1.472,267 3.754,268 77.681,269 1.824,270 3.589,271 3.585,272 3.469,273 3.472,274 0.21,275 0.248,276 7,277 20.845,278 1.132,279 7.379,280 1,281 2.398,282 4.595,283 0.295,284 3.082,285 1,286 20.429,287 22.658,288 0.293,289 5.663,290 5.511,291 4.486,292 4.227,293 5.736,294 3.967,295 5.407,296 2.915,297 4.915,298 2.915,299 0.764,302 25.145,303 54.936,304 34,305 1,306 2.122,307 3.122,308 1.683,309 0.711,310 1.503,311 0.689,312 1.707,313 2.887,314 0.473,315 3.555,316 5.617,317 6.457,318 3.651,319 37.5,320 4.846,321 5.557,322 4.234,323 4.202,324 5.686,325 0.711,326 1.503,327 52.538,328 101.86,329 1.748,330 129.608,331 8.315,332 8.315,333 4.934,334 4.934,335 137,336 1.544,337 175.737,338 0.088,339 0.83,340 3.918,341 0.128,342 0.663,343 0.189,344 1.007,345 3,346 3.963,347 0.084,348 0.258,349 3.218,350 4.049,351 4.049,352 2,353 0.065,354 73.864,355 18.369,356 14.47,357 15.535,358 1.701,359 0.078,360 3.37,361 3.638,362 3.543,363 4.474,364 3.422,365 0.862,366 5.579,367 7.365,368 5.572,369 7.924,370 3.737,371 0.052,372 3.737,373 1.638,374 1.276,375 2.241,376 5.022,377 0.283,378 -3.75,379 -3.72,380 -3.53,381 2.523,382 6.366,383 3.719,384 6.958,385 4.283,386 4.283,387 3.801,388 1.311,389 5.42,390 5.602,391 5.285,392 18.527,393 0.359,394 0.993,396 10,397 4,398 1,399 1,400 2.275,401 1,402 -0.358,403 0.636,404 1.029,405 4.085,406 1,407 0.169,408 -0.111,409 4,410 6,411 1,413 100.591,414 100.591,415 0.125,416 2.275,417 7.429,418 6.818,419 3.31,420 3.041,421 1.097,422 1.072,423 1.328,424 0.314,425 1.062,426 1.107,428 179.421,429 179.421,430 100,431 3.963,432 7.306,433 6.98,434 5.158,435 0.539,436 3.683,437 1,438 1,439 9.024,440 0.191,441 0.31,442 0.496,443 22.222,444 3.569,445 6.555,446 2.831,447 3.715,448 0.058,449 132.372,450 122.689,451 122.689,452 122.689,454 1.495,455 144.627,456 165.157,457 0.193,458 1.022,459 6.636,460 2.5,461 1.5,462 43.399,463 0.004,464 1.199,465 3.652,466 3.633,467 4.653,468 5.921,469 10.137,470 12.814,471 1.181,472 1.386,473 3.115,474 90.012,475 0.886,476 0.821,477 1.608,478 1,480 3.561,481 1.081,482 1.128,483 14.75,485 1.608,490 2.749,492 4.303,494 6.038,496 7.808,498 9.585,500 11.363,502 13.142,504 7.974,505 4.023,506 0.014,507 16.577,508 16.577,509 16.577,510 16.577,511 16.577,512 16.736,513 -0.894,514 -0.894,515 1.388,516 1.212,517 1.108,518 11.758,519 11.29,520 11.758,521 4.128,522 3.505,523 4.717,524 86.94,525 5}
{0 CHEMBL403167,1 1.329,2 12.047,3 1.088,4 1.998,5 0.928,6 0.202,7 4.105,8 6.143,9 6.143,10 16.383,11 5.088,12 2.975,13 4.904,14 20.412,15 10.695,16 17.783,17 4.88,18 2,19 1,20 1,21 2.642,22 18,23 0.377,24 3.946,25 18.542,26 2.099,27 1.506,28 44.7,29 3,30 2.097,31 0.773,32 17,33 18,34 13,35 9.867,36 5.631,37 5.796,38 6.242,39 6.558,40 6.915,41 7.28,42 17,43 4.024,44 4.061,45 3.963,46 2.06,47 2.074,48 17,49 4.248,50 33.258,51 3.271,52 3.928,53 4.144,54 14.339,55 1,56 10.077,57 11.778,58 12.794,59 14.345,60 15.493,61 16.958,62 18.185,63 19.6,64 20.875,65 1.457,66 0.703,67 0.559,68 0.698,69 3.674,70 2,71 3.154,72 0.781,73 1.976,74 0.651,75 0.651,76 0.876,77 1,78 0.923,79 0.308,80 4.409,81 4.608,82 3.725,83 3.644,84 4.416,85 4.659,86 4.282,87 3.214,88 3.109,89 3.161,90 3.061,91 7.167,92 1.003,93 17.053,94 8.337,95 18.155,96 9.111,97 15.635,98 0.598,99 4.454,100 12.734,101 0.882,102 13.916,103 0.633,104 1.488,105 0.218,106 1.091,107 0.194,108 29.803,109 0.446,110 5.703,111 0.162,112 5.178,113 3.282,114 2.242,115 0.025,116 1,117 10.818,118 7.694,119 0.708,120 3.736,121 3.859,122 4.217,123 4.388,124 3.944,125 4.199,126 0.582,127 7.041,128 3.357,129 4.316,130 0.899,131 12.767,132 0.588,133 11.62,134 6.367,135 0.564,136 0.68,137 1,138 3,139 3,140 2,141 8.676,142 3.723,143 2.071,144 1.422,145 1,146 1,147 1,148 3.899,149 22.567,150 4.398,151 0.721,152 1.059,153 0.815,154 1.044,155 0.974,157 1,158 3.177,159 1,160 1,161 199.421,162 0.007,163 -0.067,164 -0.151,165 10.5,166 1,167 3,168 3,169 1,170 38,171 40,172 1,173 3,174 1,175 16,176 2,177 7.217,178 2.216,179 0.981,180 4.176,181 188.338,182 25.145,183 213.483,184 188.338,185 188.338,186 25.145,187 190.666,188 49.867,189 188.338,190 188.338,191 21.658,192 188.338,193 0.569,194 5,195 14.307,196 6.421,197 3.731,198 380.773,199 38.036,200 42.694,201 0.605,202 0.729,203 0.832,204 3.899,205 26.046,206 6.899,207 1.464,208 1.466,209 2.854,210 2.925,211 2.687,212 2.824,213 2.91,214 2.655,215 2.638,216 0.162,217 3.899,218 1.231,219 1.925,220 1.034,221 1.898,222 0.939,223 1.85,224 0.886,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.07,232 0.771,234 24.961,235 34.797,236 74,237 156.487,238 261.91,239 373.588,240 12.307,241 7.031,242 6.822,243 7.11,244 5.202,245 9.286,246 0.171,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 99.976,258 24.545,259 26.745,260 28.897,261 31.088,262 -0.278,263 3.84,264 1.124,265 -0.254,266 1.561,267 3.676,268 66.756,269 1.863,270 3.503,271 3.555,272 3.419,273 3.45,274 0.115,275 0.148,276 7,277 15.226,278 1.257,279 7.311,280 1,281 2.398,282 4.595,283 0.191,284 2.739,285 1,286 20.199,287 22.43,288 0.3,289 5.483,290 5.377,291 4.518,292 4.168,293 6.306,294 4.115,295 5.575,296 2.876,297 4.876,298 2.876,299 0.776,302 25.145,303 15.119,304 32,306 1.781,307 2.881,308 1.039,309 0.054,310 0.141,311 0.053,312 1.004,313 2.413,314 -0.388,315 3.497,316 5.541,317 6.392,318 3.541,319 33.5,320 4.73,321 5.493,322 4.174,323 4.159,324 5.643,325 0.054,326 0.141,327 48.441,328 95.274,329 1.755,330 120.711,331 7.329,332 7.329,333 4.682,334 4.682,335 127,336 1.613,337 153.065,338 0.089,339 0.817,340 3.97,341 0.125,342 0.533,343 0.099,344 1.18,345 3,346 3.968,347 0.082,348 0.278,349 2.985,350 3.592,351 3.592,352 2,353 0.08,354 66.727,355 18.16,356 14.307,357 15.371,358 1.818,359 0.084,360 3.408,361 3.649,362 3.526,363 4.423,364 3.378,365 0.894,366 5.239,367 7.5,368 4.797,369 6.924,370 3.746,371 0.07,372 3.746,373 1.539,374 1.453,375 2.714,376 7.365,377 0.271,378 -4.68,379 -4.6,380 -4.33,381 3.454,382 11.931,383 3.573,384 6.364,385 4.255,386 4.255,387 3.776,388 0.699,389 5.329,390 5.492,391 4.938,392 14.29,393 0.248,394 1.005,396 11,397 7,398 4,399 1,400 2.275,401 0.597,402 -0.838,403 0.594,404 1.092,405 3.754,406 1,407 0.274,408 -0.036,409 4,410 4,411 1,413 51.521,414 51.521,415 0.125,416 2.275,417 7.428,418 5.178,419 3.173,420 2.936,421 1.106,422 0.995,423 1.481,424 0.522,425 1.062,426 1.107,427 1.505,428 174.666,429 174.666,430 84,431 3.971,432 6.305,433 6.923,434 5.031,435 0.418,436 3.557,437 1,438 1,439 8.741,440 0.203,441 0.327,442 0.534,443 4.64,444 3.413,445 6.555,446 2.687,447 3.648,448 0.073,449 121.847,450 115.77,451 115.77,452 115.77,453 0.5,454 1.488,455 145.382,456 165.911,457 0.188,458 1.194,459 6.246,460 2.5,461 1.5,462 29.741,463 -0.001,464 1.067,465 3.662,466 3.619,467 5.358,468 6.266,469 9.094,470 12.246,471 1.181,472 1.441,473 2.947,474 86.18,475 0.898,476 0.849,477 1.525,478 3,480 3.028,481 0.68,482 1,483 13,485 1.525,490 2.295,491 2.036,492 3.454,493 3.815,494 4.892,495 5.491,496 6.42,497 7.123,498 7.982,499 8.733,500 9.56,501 10.334,502 11.145,503 11.93,504 6.104,505 3.791,506 0.009,507 14.947,508 14.947,509 14.947,510 14.947,511 14.947,512 14.993,513 -2,514 -2,515 1.309,516 1.411,517 1.107,518 10.704,519 10.338,520 10.704,521 4.14,522 3.288,523 4.624,524 95.765,525 5}
{0 CHEMBL403221,1 1.376,2 11.09,3 1.213,4 1.994,5 1.026,6 0.148,7 3.121,8 6.179,9 6.179,10 16.813,11 5.57,12 3.384,13 5.378,14 50.407,15 15.299,16 35.792,17 4.95,18 2.099,19 1.119,20 1.119,21 2.687,22 16,23 0.34,24 3.978,25 17.307,26 2.09,27 1.225,28 42.9,29 3,30 2.062,31 0.68,32 17,33 19,34 13,35 10.011,36 5.656,37 5.816,38 6.216,39 6.405,40 6.668,41 6.972,42 17,43 4.018,44 4.05,45 3.959,46 2.061,47 2.071,48 17,49 4.322,50 34.011,51 3.465,52 4.213,53 4.451,54 17.985,55 1,56 10.283,57 11.941,58 13.023,59 14.545,60 15.741,61 17.19,62 18.452,63 19.86,64 21.16,65 1.463,66 0.806,67 0.549,68 0.706,69 3.676,70 1.948,71 3.472,72 0.913,73 1.973,74 0.589,75 0.589,76 0.891,77 1.092,78 0.924,79 0.321,80 4.528,81 4.718,82 3.815,83 3.761,84 4.575,85 4.798,86 4.478,87 3.356,88 3.322,89 3.28,90 3.272,91 7.377,92 1.115,93 18.683,94 9.01,95 20.875,96 8.961,97 18.968,98 0.77,99 3.675,100 14.581,101 0.929,102 16.389,103 0.656,104 1.496,105 0.313,106 1.181,107 0.218,108 44.508,109 0.449,110 6.265,111 0.155,112 5.581,113 3.64,114 2.39,115 0.024,116 1,117 11.68,118 7.986,119 0.63,120 3.843,121 3.966,122 4.318,123 4.485,124 4.082,125 4.273,126 0.66,127 7.356,128 3.542,129 4.403,130 0.994,131 13.569,132 0.698,133 12.184,134 4.767,135 0.582,136 0.673,138 3,139 1,140 2,141 9.866,142 3.766,143 2.035,144 1.513,145 1,146 1,147 1,148 3.926,149 26.133,150 4.883,151 0.703,152 1.042,153 0.803,154 1.033,155 0.968,157 1,158 3.357,159 1,160 1,161 226.477,162 0.053,163 -0.041,164 -0.114,165 11.9,166 1,167 3,168 3,169 1,170 42,171 44,173 3,174 1,175 17,176 2,177 7.883,178 2.383,179 0.972,180 5.197,181 188.338,182 50.29,183 238.627,184 188.338,185 188.338,186 50.29,187 188.338,188 49.744,189 188.338,190 188.338,191 25.934,192 188.338,193 0.571,194 6,195 16.844,196 7.713,197 4.298,198 428.204,199 42.465,200 47.402,201 0.623,202 0.719,203 0.828,204 3.926,205 28.506,206 6.926,207 1.472,208 1.474,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.735,215 2.715,216 0.145,217 3.926,218 1.196,219 1.906,220 1.026,221 1.915,222 0.956,223 1.863,224 0.886,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.107,232 0.24,234 27.697,235 42.064,236 92,237 173.942,238 296.36,239 416.179,240 13.716,241 7.701,242 7.504,243 7.814,244 5.254,245 9.411,246 0.171,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 15,255 3,256 85.286,257 104.681,258 25.2,259 27.423,260 29.606,261 31.817,262 -0.152,263 3.87,264 1.129,265 -0.147,266 1.612,267 3.875,268 81.491,269 1.861,270 3.702,271 3.698,272 3.638,273 3.61,274 0.226,275 0.369,276 12,277 23.639,278 1.257,279 7.489,280 1,281 2.398,282 4.595,283 0.438,284 3.391,285 1,286 20.787,287 23.042,288 0.297,289 5.765,290 5.71,291 4.699,292 4.394,293 6.637,294 4.655,295 6.461,296 2.915,297 4.915,298 2.915,299 0.774,302 50.29,303 35.152,304 36,305 1,306 1.85,307 3.247,308 2,309 1,310 2.136,311 1,312 1.686,313 2.936,314 0.448,315 3.611,316 5.666,317 6.515,318 3.651,319 37.5,320 4.846,321 5.624,322 4.29,323 4.271,324 5.772,325 1,326 2.136,327 54.163,328 108.575,329 1.749,330 141.012,331 8.521,332 8.521,333 5.148,334 5.148,335 144,336 1.666,337 179.774,338 0.088,339 0.833,340 4.021,341 0.126,342 0.733,343 0.259,344 1.115,345 3,346 3.963,347 0.083,348 0.291,349 3.277,350 3.601,351 3.601,352 2,353 0.1,354 76.378,355 18.685,356 14.7,357 15.775,358 1.843,359 0.081,360 3.421,361 3.754,362 3.673,363 4.63,364 3.545,365 1.018,366 6.368,367 8.84,368 6.073,369 8.567,370 3.853,371 0.053,372 3.853,373 1.664,374 1.422,375 1.861,376 3.464,377 0.282,378 -3.99,379 -3.94,380 -3.74,381 2.761,382 7.621,383 3.693,384 6.915,385 4.287,386 4.287,387 3.8,388 1.088,389 5.498,390 5.704,391 5.515,392 19.655,393 0.444,394 1.146,396 10,397 4,398 1,399 1,400 2.621,401 1,402 -0.128,403 0.622,404 1.073,405 3.943,406 1,407 0.134,408 -0.027,409 4,410 5,411 2,413 69.531,414 69.531,415 0.136,416 2.621,417 7.431,418 7.426,419 3.401,420 3.082,421 1.137,422 1.096,423 1.452,424 0.513,425 1.085,426 1.107,427 1.457,428 201.722,429 201.722,430 104,431 3.967,432 7.248,433 7.018,434 5.17,435 0.524,436 3.758,437 1.037,438 1.037,439 11.276,440 0.195,441 0.315,442 0.512,443 22.222,444 3.507,445 6.555,446 2.828,447 3.777,448 0.096,449 139.449,450 120.046,451 120.046,452 120.046,454 1.507,455 162.928,456 187.458,457 0.189,458 1.077,459 6.913,460 2.529,461 1.51,462 53.569,463 0.002,464 1.337,465 3.732,466 3.707,467 5.636,468 6.995,469 10.213,470 13.538,471 1.198,472 1.511,473 2.939,474 97.211,475 0.996,476 0.897,477 1.627,478 2,480 3.559,481 1.081,482 1.128,483 15.25,485 1.627,490 2.466,491 2.036,492 3.527,493 3.815,494 4.914,495 5.491,496 6.426,497 7.123,498 7.984,499 8.733,500 9.56,501 10.334,502 11.145,503 11.93,504 7.852,505 4.025,506 0.005,507 16.913,508 16.913,509 16.913,510 16.913,511 16.913,512 16.995,513 -0.914,514 -0.914,515 1.382,516 1.389,517 1.26,518 12.131,519 11.628,520 12.131,521 4.237,522 3.505,523 4.731,524 95.888,525 5}
{0 CHEMBL404541,1 1.549,2 11.494,3 0.696,4 1.999,5 0.928,6 0.202,7 4.171,8 6.198,9 6.198,10 16.663,11 5.281,12 3.034,13 5.012,14 30.047,15 13.271,16 18.829,17 4.908,18 2.068,19 1.077,20 1.077,21 2.566,22 18,23 0.387,24 3.949,25 18.535,26 2.1,27 1.42,28 44.7,29 3,30 2.097,31 0.773,32 17,33 18,34 13,35 9.941,36 5.64,37 5.791,38 6.229,39 6.572,40 6.925,41 7.272,42 17,43 4.029,44 4.068,45 3.965,46 2.064,47 2.077,48 17,49 4.248,50 33.937,51 3.371,52 4.069,53 4.33,54 15.677,55 1,56 10.156,57 11.845,58 12.902,59 14.444,60 15.626,61 17.087,62 18.342,63 19.758,64 21.054,65 1.457,66 0.708,67 0.559,68 0.698,69 3.674,70 2,71 3.229,72 0.866,73 1.977,74 0.651,75 0.651,76 0.876,77 1.066,78 0.923,79 0.315,80 4.418,81 4.611,82 3.756,83 3.673,84 4.473,85 4.716,86 4.372,87 3.275,88 3.154,89 3.111,90 3.024,91 7.25,92 1.011,93 16.997,94 8.645,95 19.154,96 9.592,97 17.278,98 0.665,99 4.034,100 12.759,101 0.882,102 14.129,103 0.642,104 1.489,105 0.218,106 1.083,107 0.192,108 30.363,109 0.447,110 5.705,111 0.162,112 5.195,113 3.402,114 2.312,115 0.026,116 1,117 10.136,118 7.694,119 0.708,120 3.736,121 3.859,122 4.215,123 4.384,124 3.887,125 4.111,126 0.582,127 7.041,128 3.357,129 4.316,130 0.893,131 12.707,132 0.555,133 10.602,134 5.501,135 0.564,136 0.68,137 1,138 3,139 3,140 1,141 8.654,142 3.723,143 2.071,144 1.422,145 1,146 1,147 1,148 3.922,149 22.567,150 4.367,151 0.721,152 1.01,153 0.814,154 1.032,155 0.97,157 1,158 3.177,159 1,160 1,161 199.421,162 0.049,163 -0.046,164 -0.157,165 10.5,166 1,167 3,168 3,169 1,170 38,171 40,172 1,173 3,174 1,175 16,176 2,177 7.217,178 2.216,179 0.981,180 4.176,181 188.338,182 25.145,183 213.483,184 188.338,185 188.338,186 25.145,187 188.338,188 49.744,189 188.338,190 188.338,191 21.658,192 188.338,193 0.568,194 5,195 14.307,196 6.421,197 3.534,198 380.773,199 38.036,200 42.694,201 0.605,202 0.729,203 0.832,204 3.922,205 26.046,206 6.922,207 1.467,208 1.468,209 2.854,210 2.925,211 2.687,212 2.798,213 2.916,214 2.596,215 2.575,216 0.163,217 3.922,218 1.238,219 1.933,220 1.061,221 1.921,222 0.945,223 1.835,224 0.886,225 0.821,226 1.181,227 0.218,228 0.879,229 0.804,230 1.062,231 1.107,232 0.819,234 24.961,235 34.673,236 70,237 156.487,238 261.91,239 373.588,240 12.307,241 7.031,242 6.822,243 7.11,244 5.206,245 9.321,246 0.176,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 99.976,258 25.072,259 27.309,260 29.504,261 31.729,262 -0.241,263 3.847,264 1.124,265 -0.234,266 1.584,267 3.674,268 66.756,269 1.832,270 3.537,271 3.613,272 3.534,273 3.534,274 0.115,275 0.201,276 7,277 14.461,278 1.007,279 7.355,280 1,281 2.398,282 4.595,283 0.229,284 2.739,285 1,286 20.636,287 22.903,288 0.297,289 5.489,290 5.498,291 4.608,292 4.271,293 6.693,294 4.975,295 7.097,296 2.883,297 4.883,298 2.883,299 0.776,302 25.145,303 17.57,304 32,306 1.576,307 2.832,308 1.035,309 0.047,310 0.12,311 0.047,312 1.035,313 2.407,314 -0.365,315 3.497,316 5.549,317 6.402,318 3.541,319 33.5,320 4.73,321 5.501,322 4.174,323 4.156,324 5.644,325 0.047,326 0.12,327 48.506,328 95.877,329 1.761,330 120.711,331 7.435,332 7.435,333 4.847,334 4.847,335 128,336 1.633,337 146.567,338 0.094,339 0.817,340 3.995,341 0.123,342 0.763,343 0.096,344 0.661,345 3,346 3.97,347 0.082,348 0.278,349 2.967,350 3.6,351 3.6,352 2,353 0.08,354 66.883,355 18.529,356 14.542,357 15.623,358 1.823,359 0.085,360 3.396,361 3.71,362 3.609,363 4.51,364 3.476,365 0.962,366 5.975,367 8.563,368 5.104,369 7.127,370 3.833,371 0.07,372 3.833,373 1.562,374 1.366,375 2.623,376 6.88,377 0.271,378 -4.68,379 -4.6,380 -4.33,381 3.454,382 11.931,383 3.482,384 6.041,385 4.288,386 4.288,387 3.768,388 0.932,389 5.306,390 5.481,391 4.974,392 12.573,393 0.215,394 1.065,396 11,397 7,398 5,399 1,400 2.409,401 0.59,402 -0.808,403 0.594,404 1.108,405 4.005,406 1,407 0.274,408 -0.025,409 4,410 4,411 1,413 51.521,414 51.521,415 0.125,416 2.409,417 7.428,418 5.209,419 3.139,420 2.926,421 1.042,422 0.951,423 1.419,424 0.507,425 1.062,426 1.107,427 1.528,428 174.666,429 174.666,430 80,431 3.977,432 6.353,433 6.932,434 5.088,435 0.418,436 3.584,437 1,438 1,439 8.574,440 0.214,441 0.34,442 0.574,443 4.64,444 3.317,445 6.555,446 2.687,447 3.644,448 0.065,449 121.514,450 115.77,451 115.77,452 115.77,453 0.5,454 1.495,455 145.382,456 165.911,457 0.186,458 1.162,459 6.269,460 2.5,461 1.5,462 35.394,463 -0.001,464 1.137,465 3.671,466 3.626,467 5.438,468 6.52,469 9.128,470 12.271,471 1.181,472 1.538,473 2.76,474 88.806,475 0.886,476 0.821,477 1.525,478 3,480 3.1,481 0.68,482 1,483 13,485 1.525,490 2.295,491 2.036,492 3.454,493 3.815,494 4.892,495 5.491,496 6.42,497 7.123,498 7.982,499 8.733,500 9.56,501 10.334,502 11.145,503 11.93,504 6.104,505 3.77,506 0.009,507 14.999,508 14.999,509 14.999,510 14.999,511 14.999,512 15.049,513 -2,514 -2,515 1.295,516 1.352,517 1.117,518 10.72,519 10.349,520 10.72,521 4.211,522 3.279,523 4.638,524 95.888,525 5}
{0 CHEMBL404542,1 1.549,2 11.632,3 1.167,4 1.999,5 1.154,6 0.038,7 4.132,8 6.217,9 6.217,10 16.799,11 5.447,12 3.212,13 5.292,14 30.489,15 16.876,16 27.593,17 4.926,18 2.077,19 1.084,20 1.084,21 2.687,22 18,23 0.359,24 3.951,25 18.535,26 2.1,27 1.119,28 41.9,29 3,30 2.064,31 0.708,32 17,33 18,34 13,35 10.125,36 5.661,37 5.827,38 6.261,39 6.612,40 6.948,41 7.293,42 17,43 4.03,44 4.07,45 3.965,46 2.064,47 2.077,48 17,49 4.248,50 34.005,51 3.543,52 4.32,53 4.574,54 17.842,55 1,56 10.203,57 11.875,58 12.936,59 14.468,60 15.65,61 17.106,62 18.359,63 19.772,64 21.067,65 1.449,66 0.776,67 0.573,68 0.706,69 3.674,70 1.946,71 3.477,72 1.001,73 1.977,74 0.872,75 0.872,76 0.839,77 1.076,78 1.139,79 0.329,80 4.53,81 4.723,82 3.873,83 3.791,84 4.669,85 4.909,86 4.556,87 3.476,88 3.359,89 3.301,90 3.211,91 8.104,92 1.149,93 19.177,94 10.187,95 24.231,96 11.512,97 22.155,98 0.876,99 5.048,100 14.043,101 1.076,102 16.374,103 0.682,104 1.498,105 0.469,106 1.181,107 0.218,108 35.818,109 0.447,110 6.18,111 0.165,112 5.781,113 3.813,114 2.37,115 0.025,116 1,117 10.917,118 7.475,119 0.654,120 3.855,121 3.987,122 4.35,123 4.542,124 4.159,125 4.429,126 0.676,127 8.533,128 3.722,129 4.977,130 1.026,131 15.8,132 0.7,133 15.05,134 7.4,135 0.561,136 0.671,137 1,138 3,139 1,141 9.63,142 3.893,143 2.193,144 1.553,145 1,146 1,147 1,148 3.923,149 25.267,150 4.808,151 0.752,152 0.875,153 0.831,154 0.853,155 0.849,157 1,158 3.234,159 1,160 1,161 233.329,162 0.237,163 0.131,164 -0.188,165 11.6,166 1,167 3,168 3,169 1,170 43,171 45,172 1,173 4,174 1,175 19,176 2,177 8.417,178 2.416,179 0.969,180 4.901,181 223.651,182 25.145,183 248.796,184 223.651,185 223.651,186 25.145,187 223.651,188 49.744,189 223.651,190 223.651,191 21.23,192 223.651,193 0.576,194 5,195 16.192,196 7.264,197 4.007,198 426.749,199 43.022,200 48.607,201 0.596,202 0.714,203 0.802,204 3.923,205 28.813,206 6.923,207 1.478,208 1.477,209 2.874,210 3.009,211 2.687,212 2.854,213 2.925,214 2.735,215 2.715,216 0.151,217 3.923,218 1.238,219 1.932,220 1.059,221 1.927,222 0.944,223 1.862,224 0.886,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.107,232 0.736,234 27.509,235 39.468,236 84,237 172.874,238 290.21,239 413.571,240 13.755,241 7.612,242 7.348,243 7.728,244 5.217,245 9.358,246 0.163,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 116.34,258 25.146,259 27.382,260 29.574,261 31.799,262 -0.092,263 3.85,264 1.13,265 -0.193,266 1.58,267 3.741,268 74.685,269 1.856,270 3.645,271 3.727,272 3.671,273 3.633,274 0.232,275 0.218,276 13,277 15.986,278 1.007,279 7.417,280 1,281 2.398,282 4.595,283 0.347,284 3.24,285 1,286 20.721,287 22.986,288 0.295,289 5.723,290 5.609,291 4.824,292 4.401,293 8.054,294 5.23,295 7.803,296 2.884,297 4.884,298 2.884,299 0.754,302 25.145,303 11.869,304 35,306 1.865,307 3.247,308 1.893,309 0.895,310 2.032,311 0.883,312 1.355,313 2.831,314 0.052,315 3.584,316 5.638,317 6.488,318 3.597,319 35.5,320 4.798,321 5.602,322 4.263,323 4.223,324 5.717,325 0.895,326 2.032,327 51.625,328 105.575,329 1.761,330 139.051,331 8.473,332 8.473,333 5.065,334 5.065,335 140,336 1.639,337 162.844,338 0.087,339 0.789,340 4.061,341 0.121,342 0.843,343 0.186,344 0.916,345 3,346 3.97,347 0.08,348 0.291,349 2.991,350 3.713,351 3.713,352 2,353 0.118,354 73.091,355 18.626,356 14.683,357 15.759,358 1.834,359 0.087,360 3.502,361 3.83,362 3.705,363 4.632,364 3.619,365 1.114,366 6.753,367 10.288,368 5.326,369 7.881,370 3.835,371 0.077,372 3.835,373 1.643,374 1.435,375 2.447,376 5.986,377 0.266,378 -4.56,379 -4.48,380 -4.22,381 3.326,382 11.06,383 3.59,384 6.48,385 4.293,386 4.293,387 3.776,388 0.713,389 5.403,390 5.6,391 5.139,392 14.946,393 0.335,394 1.215,396 11,397 6,398 3,399 1,400 2.55,401 1,402 -0.6,403 0.588,404 1.164,405 4.002,406 1,407 0.243,408 0.099,409 4,410 5,411 1,413 54.645,414 54.645,415 0.111,416 2.55,417 7.427,418 5.209,419 3.216,420 2.986,421 1.179,422 1.101,423 1.462,424 0.632,425 1.215,426 1.146,427 3.434,428 195.82,429 195.82,430 94,431 3.978,432 6.823,433 6.972,434 5.143,435 0.507,436 3.722,437 1,438 1,439 11.044,440 0.207,441 0.33,442 0.552,443 7.765,444 3.419,445 6.555,446 2.899,447 3.738,448 0.089,449 133.373,450 123.309,451 123.309,452 123.309,453 0.5,454 1.512,455 166.535,456 187.065,457 0.193,458 1.105,459 6.413,460 2.5,461 1.5,462 40.304,463 -0.033,464 1.239,465 3.749,466 3.708,467 5.76,468 7.394,469 9.717,470 13.271,471 1.417,472 1.604,473 2.928,474 96.871,475 0.934,476 0.83,477 1.534,478 2,480 3.11,481 0.68,482 1.126,483 14.75,485 1.534,490 2.214,491 1.668,492 3.095,493 3.205,494 4.282,495 4.673,496 5.57,497 6.097,498 6.898,499 7.497,500 8.246,501 8.884,502 9.604,503 10.263,504 6.672,505 3.834,506 -0.06,507 16.206,508 16.206,509 16.206,510 16.206,511 16.206,512 16.393,513 -1.603,514 -1.603,515 1.343,516 1.437,517 1.308,518 11.631,519 11.157,520 11.631,521 4.216,522 3.281,523 4.695,524 106.98,525 5}
{0 CHEMBL404652,1 1.519,2 11.376,3 0.823,4 1.999,5 0.866,6 0.21,7 4.182,8 6.183,9 6.183,10 16.604,11 5.115,12 2.898,13 4.884,14 23.324,15 10.3,16 16.864,17 4.9,18 2,19 1,20 1,21 2.56,22 18,23 0.401,24 3.945,25 18.532,26 2.1,27 0.868,28 47.1,29 3,30 2.131,31 0.81,32 17,33 18,34 13,35 9.941,36 5.64,37 5.791,38 6.229,39 6.572,40 6.925,41 7.272,42 17,43 4.027,44 4.066,45 3.964,46 2.063,47 2.077,48 17,49 4.248,50 33.871,51 3.245,52 3.872,53 4.123,54 12.21,55 1,56 10.115,57 11.826,58 12.878,59 14.43,60 15.61,61 17.076,62 18.329,63 19.747,64 21.042,65 1.424,66 0.628,67 0.54,68 0.69,69 3.674,70 2.066,71 3.138,72 0.74,73 1.977,74 0.588,75 0.588,76 0.884,77 1,78 0.837,79 0.327,80 4.287,81 4.49,82 3.688,83 3.605,84 4.337,85 4.566,86 4.238,87 3.125,88 3.011,89 2.883,90 2.808,91 5.804,92 0.943,93 13.667,94 7.484,95 15.427,96 8.131,97 14.847,98 0.582,99 2.989,100 12.474,101 0.846,102 11.854,103 0.564,104 1.501,105 0.218,106 0.807,108 24.797,109 0.451,110 5.349,111 0.155,112 4.651,113 3.25,114 2.168,115 0.025,116 1,117 10,118 8.098,119 0.739,120 3.635,121 3.758,122 4.09,123 4.249,124 3.653,125 3.907,126 0.542,127 5.565,128 2.724,129 3.452,130 0.822,131 9.862,132 0.477,133 8.376,134 4.245,135 0.562,136 0.657,137 1,138 3,139 1,141 8.104,142 3.639,143 1.972,144 1.45,145 1,146 1,147 1,148 3.92,149 20.6,150 3.905,151 0.679,152 0.981,153 0.867,154 1.051,155 1.009,157 1,158 3.115,159 1,160 1,161 172.974,162 0.04,163 -0.099,164 -0.121,165 14.7,166 1,167 3,168 3,169 1,170 34,171 36,172 1,173 2,174 1,175 13,176 2,177 6.25,178 1.974,179 0.988,180 3.821,181 153.024,183 153.024,184 153.024,185 153.024,187 153.024,188 49.744,189 153.024,190 153.024,191 16.525,192 153.024,193 0.556,194 4,195 13.178,196 6.089,197 3.025,198 354.017,199 34.043,200 38.152,201 0.612,202 0.715,203 0.834,204 3.92,205 24.074,206 6.92,207 1.451,208 1.45,209 2.854,210 2.925,211 2.687,212 2.721,213 2.8,214 2.541,215 2.541,216 0.17,217 3.92,218 1.237,219 1.93,220 1.051,221 1.912,222 0.84,223 1.775,224 0.886,225 0.821,226 1.087,227 0.193,228 0.807,229 0.691,230 1.054,231 1.055,232 0.786,234 23.214,235 32.385,236 69,237 146.765,238 244.18,239 349.867,240 11.346,241 6.557,242 6.411,243 6.63,244 5.206,245 9.296,246 0.184,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 13,255 3,256 85.286,257 111.445,258 25.025,259 27.256,260 29.448,261 31.668,262 -0.121,263 3.842,264 1.122,265 -0.16,266 1.506,267 3.674,268 62.947,269 1.791,270 3.45,271 3.537,272 3.395,273 3.417,274 0.105,275 0.126,276 4,277 11.264,278 0.882,279 7.275,280 1,281 2.398,282 4.595,283 0.148,284 2.345,285 1,286 20.597,287 22.858,288 0.288,289 5.404,290 5.351,291 4.485,292 4.075,293 5.947,294 3.919,295 5.494,296 2.881,297 4.881,298 2.881,299 0.766,303 39.804,304 30,306 1.73,307 2.829,308 1.02,309 0.035,310 0.088,311 0.035,312 1.159,313 2.325,314 -0.555,315 3.434,316 5.501,317 6.347,318 3.541,319 33.5,320 4.73,321 5.434,322 4.111,323 4.075,324 5.547,325 0.035,326 0.088,327 46.887,328 89.6,329 1.76,330 105.915,331 7.32,332 7.32,333 4.653,334 4.653,335 122,336 1.57,337 138.704,338 0.095,339 0.812,340 3.896,341 0.125,342 0.613,343 0.076,344 0.802,345 3,346 3.969,347 0.083,348 0.24,349 2.961,350 4.051,351 4.051,352 2,353 0.04,354 64.524,355 18.488,356 14.487,357 15.567,358 1.713,359 0.083,360 3.264,361 3.636,362 3.502,363 4.316,364 3.342,365 0.872,366 5.553,367 7.8,368 4.339,369 5.923,370 3.83,371 0.072,372 3.83,373 1.464,374 1.17,375 2.912,376 8.477,377 0.262,378 -4.44,379 -4.37,380 -4.12,381 3.211,382 10.31,383 3.433,384 5.84,385 4.284,386 4.284,387 3.763,388 0.786,389 5.183,390 5.33,391 4.768,392 10.67,393 0.14,394 0.97,396 11,397 6,398 3,399 1,400 2.275,401 0.838,402 -1,403 0.606,404 1.089,405 3.654,406 1,407 0.416,408 -0.106,409 4,410 5,413 82.58,414 82.58,415 0.111,416 2.275,417 6.818,418 5.208,419 3.119,420 2.881,421 0.891,422 0.842,423 1.266,424 0.218,425 1.062,426 1.107,428 152.974,429 152.974,430 74,431 3.975,432 6.46,433 6.9,434 5.069,435 0.39,436 3.523,437 1,438 1,439 6.005,440 0.217,441 0.344,442 0.584,443 4.64,444 3.293,445 6.555,446 2.687,447 3.569,448 0.032,449 114.104,450 118.413,451 118.413,452 118.413,454 1.491,455 123.69,456 144.219,457 0.188,458 1.07,459 6.104,460 2.5,461 1.5,462 30.202,463 -0.002,464 1.062,465 3.596,466 3.552,467 4.457,468 5.609,469 9.08,470 11.573,471 1.181,472 1.42,473 2.743,474 84.235,475 0.886,476 0.821,477 1.449,478 2,480 3.13,481 0.68,482 1,483 12.5,485 1.449,490 2.622,492 4.27,494 6.031,496 7.807,498 9.585,500 11.363,502 13.142,504 6.226,505 3.766,506 0.015,507 14.715,508 14.715,509 14.715,510 14.715,511 14.715,512 14.845,513 -2.089,514 -2.089,515 1.204,516 1.181,517 1.107,518 10.365,519 10.022,520 10.365,521 4.207,522 3.277,523 4.638,524 87.063,525 5}
{0 CHEMBL443980,3 1.647,4 1.925,5 1.36,6 -0.058,7 1.767,8 6.567,9 6.567,10 17.396,11 6.608,12 4.56,13 6.655,14 116.323,15 71.084,16 112.586,17 5.2,18 2.788,19 1.792,20 1.792,21 3.38,22 30,23 0.217,24 3.937,25 19.006,26 2.084,27 0.72,28 37.9,29 2,30 2.008,31 0.348,32 12,33 15,34 12,35 8.825,36 5.435,37 5.254,38 5.418,39 5.641,40 5.787,41 5.768,42 16,43 3.993,44 4.025,45 3.888,46 2.054,47 2.057,48 16,49 4,50 35.227,51 4.598,52 5.698,53 5.938,54 66.664,55 0.5,56 9.681,57 11.374,58 12.165,59 13.731,60 14.639,61 16.123,62 17.11,63 18.536,64 19.581,65 1.363,66 1.255,67 0.614,68 0.714,69 4.355,70 1.917,71 4.526,72 2.747,73 1.896,74 1.328,75 0.966,76 0.801,77 1.783,78 2.052,79 0.298,80 5.579,81 5.846,82 4.673,83 4.518,84 5.617,85 5.878,86 5.608,87 4.759,88 4.658,89 4.824,90 4.712,91 25.085,92 2.647,93 61.026,94 32.205,95 64.469,96 31.391,97 64.916,98 2.881,99 24.887,100 29.653,101 1.891,102 61.729,103 1.342,104 1.404,105 1.142,106 1.734,107 1.007,108 173.065,109 0.469,110 14.588,111 0.217,112 12.791,113 8.867,114 6,115 0.044,117 16.652,118 6.174,119 0.25,120 4.664,121 4.793,122 5.26,123 5.457,124 5.727,125 5.956,126 1.337,127 24.928,128 10.97,129 14.897,130 2.14,131 45.287,132 3.02,133 73.026,134 34.971,135 0.407,136 0.575,137 17,139 26,140 32,141 20.855,142 5.38,143 3.903,144 2.76,147 0.5,148 3.474,149 54.3,150 15.247,151 0.988,152 1.277,153 1.072,154 1.279,155 1.243,156 34,158 2.783,161 688.71,162 -0.135,163 -0.154,164 0.007,165 1,170 103,171 105,172 20,173 24,175 57,176 18,177 18.167,178 7.424,179 0.912,180 18.696,181 659.182,182 108.434,183 767.616,184 659.182,185 659.182,186 108.434,187 588.555,189 659.182,190 659.182,191 75.196,192 659.182,193 0.543,194 26,195 37.766,196 22.772,197 15.184,198 973.236,199 101.806,200 116.38,201 0.416,202 0.587,203 0.717,204 3.474,205 64.052,206 6.474,207 1.394,208 1.394,209 3.647,210 3.688,211 3.494,212 3.527,213 3.592,214 3.368,215 3.355,216 0.072,217 3.474,218 1.46,219 2.059,220 1.423,221 2.028,222 1.341,223 2.009,224 1.581,225 1.539,226 1.835,227 1.132,228 1.524,229 1.463,230 1.727,231 1.745,232 17.646,233 17.181,234 59.061,235 108.681,236 374,237 367.117,238 664.36,239 887.525,240 28.26,241 17.765,242 17.376,243 17.918,244 5.077,245 9.086,246 0.153,247 10,248 16.5,249 10,250 2,251 10,252 3,253 3,254 15,255 3,256 94.762,257 122.279,258 25.947,259 28.288,260 30.581,261 32.914,262 0.009,263 3.828,264 1.13,265 0.047,266 1.845,267 4.402,269 1.99,270 4.371,271 4.512,272 4.478,273 4.541,274 0.683,275 0.954,276 51,277 50.447,278 2.375,279 7.158,283 1.139,284 5.958,285 0.5,286 21.33,287 23.694,288 0.311,289 6.472,290 6.614,291 5.856,292 5.635,293 21.895,294 23.339,295 33.037,296 3,297 5,298 3,299 0.702,300 4,301 1,302 179.061,303 83.341,304 59,305 6,306 2.696,307 3.666,308 2.478,309 1.483,310 3.201,311 1.473,312 2.639,313 3.645,314 1.616,315 4.094,316 6.159,317 6.978,318 4.06,319 57,320 5.252,321 6.066,322 4.779,323 4.731,324 6.133,325 1.483,326 3.201,327 78.375,328 169.62,329 1.875,330 286.677,331 14.122,332 14.122,333 8.242,334 8.242,335 236,336 1.878,337 413.84,338 0.083,339 0.784,340 3.534,341 0.134,342 1.844,343 0.948,344 1.624,345 2,346 3.892,347 0.089,348 0.205,349 3.613,350 3.933,351 3.933,352 2,353 0.091,354 139.65,355 19.159,356 15.19,357 16.31,358 2.054,359 0.127,360 3.657,361 4.648,362 4.649,363 5.878,364 4.7,365 2.626,366 21.207,367 30.447,368 21.819,369 31.318,370 3.447,371 0.039,372 3.447,373 2.032,374 1.94,375 11.07,376 122.543,377 0.191,378 -7.65,379 -7.42,380 -6.85,381 6.42,382 41.218,383 4.195,384 10.088,385 4.214,386 4.214,387 3.927,388 1.132,389 6.185,390 6.349,391 6.709,392 64.014,393 0.813,394 2.636,395 3,396 14,397 15,398 20,399 0.5,400 3.819,401 1.744,402 1.342,403 0.527,404 0.993,405 5.04,406 0.63,407 0.007,408 -0.154,409 2,410 1,411 6,412 3,413 18.011,414 18.011,415 0.248,416 3.819,417 7.44,418 7.432,419 3.789,420 3.594,421 1.739,422 1.68,423 1.908,424 1.232,425 1.803,426 1.795,427 4.412,428 551.897,429 589.2,430 260,431 3.908,432 7.248,433 6.946,434 5.214,435 0.718,436 4.33,437 1.687,438 1.687,439 21.997,440 0.184,441 0.293,442 0.491,443 65.69,444 3.971,446 3.532,447 4.306,448 0.343,449 235.206,450 187.609,451 187.609,452 187.609,453 1,454 1.448,455 404.417,456 493.931,457 0.202,458 0.934,459 10.822,460 2.911,461 1.918,462 144.662,463 -0.002,464 1.856,465 4.546,466 4.427,467 17.915,468 22.416,469 20.293,470 27.425,471 1.929,472 4.047,473 3.475,474 181.691,475 1.676,476 1.616,477 1.307,478 6,479 149.175,480 3.861,481 2.443,482 1.918,483 26.75,484 2,485 1.307,486 1,487 1,488 4,489 3,490 3.445,491 3.127,492 4.861,493 5.198,494 6.468,495 7.08,496 8.154,497 8.9,498 9.882,499 10.697,500 11.633,501 12.485,502 13.399,503 14.27,504 17.464,505 3.907,506 -0.042,507 31.57,508 31.57,509 31.57,510 31.57,511 31.57,512 31.925,513 2.756,514 2.756,515 1.761,516 1.995,517 1.885,518 22.495,519 21.865,520 22.495,521 4.066,522 3.34,523 4.741,524 112.413,525 4.602}
{0 CHEMBL451312,3 1.634,4 1.904,5 1.469,6 -0.082,7 0.876,8 6.567,9 6.567,10 17.362,11 6.589,12 4.445,13 6.581,14 121.901,15 68.916,16 103.221,17 5.199,18 2.788,19 1.792,20 1.792,21 3.38,22 25,23 0.236,24 3.929,25 9.447,26 2.083,27 0.711,28 35.3,29 1,30 1.945,31 0.233,32 6,33 9,34 6,35 8.119,36 5.037,37 4.872,38 4.956,39 5.12,40 5.221,41 5.153,42 10,43 3.975,44 4.009,45 3.856,46 2.053,47 2.055,48 10,49 3.322,50 35.215,51 4.542,52 5.678,53 5.924,54 66.394,55 0.5,56 9.444,57 11.006,58 11.874,59 13.335,60 14.302,61 15.705,62 16.733,63 18.097,64 19.169,65 1.358,66 1.307,67 0.638,68 0.728,69 4.24,70 1.83,71 4.427,72 2.579,73 1.876,74 1.356,75 1.049,76 0.797,77 1.782,78 2.337,79 0.29,80 5.578,81 5.852,82 4.635,83 4.468,84 5.635,85 5.91,86 5.604,87 4.72,88 4.598,89 4.792,90 4.653,91 24.771,92 2.52,93 60.098,94 31.31,95 64.468,96 30.897,97 64.402,98 2.72,99 24.334,100 27.835,101 1.819,102 63.071,103 1.467,104 1.402,105 1.142,106 1.723,107 1.007,108 204.448,109 0.473,110 14.025,111 0.236,112 12.731,113 8.292,114 5.643,115 0.047,117 16.535,118 5.902,119 0.136,120 4.644,121 4.78,122 5.257,123 5.468,124 5.727,125 5.974,126 1.315,127 25.362,128 10.828,129 14.947,130 2.066,131 45.515,132 2.919,133 71.813,134 35.281,135 0.381,136 0.571,137 17,139 22,140 26,141 19.889,142 5.379,143 4.096,144 2.808,147 0.5,148 3.448,149 52.8,150 15.567,151 1.048,152 1.305,153 1.07,154 1.304,155 1.258,156 41,158 2.576,161 680.587,162 -0.131,163 -0.146,164 -0.012,165 1,170 102,171 103,172 20,173 27,175 59,176 18,177 18.583,178 7.521,179 0.889,180 19.573,181 682.724,182 108.434,183 791.158,184 682.724,185 682.724,186 108.434,187 612.097,189 682.724,190 682.724,191 72.01,192 682.724,193 0.543,194 26,195 37.279,196 22.577,197 16.109,198 963.861,199 100.69,200 115.796,201 0.386,202 0.579,203 0.727,204 3.448,205 61.813,206 6.448,207 1.391,208 1.391,209 3.556,210 3.614,211 3.406,212 3.504,213 3.556,214 3.274,215 3.291,216 0.078,217 3.448,218 1.46,219 2.059,220 1.423,221 2.01,222 1.342,223 2.008,224 1.554,225 1.493,226 1.834,227 1.133,228 1.436,229 1.382,230 1.697,231 1.69,232 18.031,233 17.023,234 56.587,235 124.327,236 341,237 354.515,238 643.64,239 856.777,240 27.451,241 17.064,242 16.592,243 17.217,244 4.759,245 8.76,246 0.149,247 5,248 10.5,249 5,250 1,251 5,252 2,253 2,254 9,255 2,256 47.381,257 71.712,258 25.927,259 28.269,260 30.565,261 32.9,262 0.009,263 3.826,264 1.135,265 0.036,266 1.762,267 4.355,269 1.976,270 4.328,271 4.474,272 4.421,273 4.498,274 0.703,275 1.072,276 85,277 49.013,278 2.438,279 6.987,283 1.194,284 6.164,285 0.5,286 21.301,287 23.669,288 0.319,289 6.457,290 6.604,291 5.855,292 5.635,293 20.945,294 22.261,295 32.321,296 3,297 5,298 3,299 0.717,300 4,301 1,302 179.061,303 100.991,304 54,305 4,306 2.418,307 3.662,308 2.451,309 1.451,310 3.153,311 1.437,312 2.5,313 3.643,314 1.5,315 4.007,316 6.061,317 6.88,318 3.932,319 50,320 5.133,321 5.979,322 4.691,323 4.639,324 6.037,325 1.451,326 3.153,327 68.536,328 155.167,329 1.847,330 262.792,331 12.536,332 12.536,333 7.148,334 7.148,335 214,336 1.82,337 198.367,338 0.081,339 0.785,340 3.527,341 0.135,342 1.853,343 0.969,344 1.634,345 1,346 3.861,347 0.09,348 0.221,349 3.55,350 3.933,351 3.933,352 1,353 0.147,354 129.679,355 19.123,356 15.151,357 16.271,358 2.033,359 0.134,360 3.637,361 4.618,362 4.612,363 5.881,364 4.657,365 2.485,366 20.005,367 29.437,368 20.846,369 30.473,370 3.341,371 0.033,372 3.341,373 2.01,374 1.934,375 10.746,376 115.47,377 0.191,378 -7.36,379 -7.14,380 -6.6,381 6.128,382 37.548,383 4.2,384 9.993,385 4.214,386 4.214,387 3.869,388 1.117,389 6.144,390 6.322,391 6.64,392 63.242,393 0.843,394 2.526,395 3,396 13,397 15,398 20,399 0.5,400 3.809,401 1.739,402 1.258,403 0.518,404 1.022,405 5.194,406 0.63,407 0.009,408 -0.138,409 1,410 1,411 6,412 3,413 18.011,414 18.011,415 0.252,416 3.809,417 7.44,418 7.432,419 3.782,420 3.589,421 1.733,422 1.671,423 1.899,424 1.254,425 1.753,426 1.779,427 8.43,428 542.265,429 573.568,430 238,431 3.885,432 5.266,433 6.684,434 5.214,435 0.725,436 4.264,437 1.685,438 1.685,439 24.895,440 0.228,441 0.366,442 0.604,443 65.69,444 3.967,446 3.497,447 4.235,448 0.396,449 217.206,450 154.692,451 154.692,452 154.692,453 1,454 1.449,455 394.176,456 495.054,457 0.202,458 0.946,459 9.577,460 2.829,461 1.819,462 145.538,463 -0.018,464 1.856,465 4.497,466 4.367,467 17.384,468 21.406,469 18.63,470 25.629,471 1.928,472 3.727,473 3.47,474 170.745,475 1.676,476 1.616,477 1.293,478 6,479 141.408,480 3.857,481 2.443,482 1.847,483 24.75,484 2,485 1.293,486 1,487 1,488 5,489 3,490 3.445,491 3.127,492 4.861,493 5.198,494 6.468,495 7.08,496 8.154,497 8.9,498 9.882,499 10.697,500 11.633,501 12.485,502 13.399,503 14.27,504 17.464,505 3.901,506 -0.063,507 29.001,508 29.001,509 29.001,510 29.001,511 29.001,512 29.356,513 2.406,514 2.406,515 1.727,516 1.992,517 1.885,518 20.833,519 20.203,520 20.833,521 4.02,522 3.174,523 4.486,524 82.682,525 4.602}
{0 CHEMBL453042,1 0.846,2 11.209,3 0.982,4 1.905,5 1.16,6 0.038,7 1.701,8 6.308,9 6.308,10 16.997,11 5.462,12 3.635,13 5.215,14 55.588,15 21.308,16 33.406,17 4.964,18 2.044,19 1.05,20 1.05,21 2.606,22 3,23 0.373,24 3.936,25 4.696,26 1.951,27 0.822,28 33.3,29 1,30 1.925,31 0.458,32 11,33 15,34 7,35 8.878,36 5.471,37 5.659,38 5.856,39 5.9,40 5.815,41 6.09,42 11,43 3.962,44 4.012,45 3.891,46 1.992,47 1.99,48 11,49 4,50 34.085,51 3.221,52 3.879,53 4.061,54 16.009,55 0.67,56 10.327,57 11.919,58 13.072,59 14.552,60 15.804,61 17.23,62 18.535,63 19.933,64 21.267,65 1.376,66 0.469,67 0.62,68 0.737,69 3.983,70 1.756,71 3.669,72 0.652,73 1.887,74 0.542,75 0.542,76 0.895,77 1.038,78 1.289,79 0.337,80 4.306,81 4.467,82 3.713,83 3.625,84 4.44,85 4.654,86 4.181,87 3.215,88 3.125,89 3.096,90 3.066,91 4.745,92 0.941,93 15.038,94 5.877,95 25.068,96 5.225,97 20.422,98 0.591,99 3.377,100 13.71,101 0.542,102 18.487,103 0.77,104 1.512,105 0.182,106 0.935,108 54.806,109 0.457,110 5.229,111 0.173,112 5.886,113 3.656,114 2.259,115 0.025,117 11.583,118 12.256,119 0.44,120 3.721,121 3.853,122 4.172,123 4.357,124 3.993,125 4.245,126 0.623,127 0.693,128 2.758,129 2.704,130 0.874,131 8.103,132 0.563,133 15.643,134 3.579,135 0.745,136 0.812,138 3,141 9.279,142 3.238,143 1.042,144 0.674,145 1,146 1,147 1,148 3.984,149 25.29,150 4.979,151 0.475,152 0.812,153 0.585,154 0.545,155 0.625,157 1,158 4.128,159 1,160 1,161 186.117,162 0.25,163 0.161,164 -0.191,165 25,166 1,167 3,168 3,169 1,170 36,171 37,173 3,174 1,175 12,176 1,177 7.343,178 1.863,179 0.934,180 6.089,181 129.482,182 50.29,183 179.772,184 264.85,185 129.482,186 50.29,187 260.1285,188 49.744,189 129.482,190 129.482,191 21.016,192 129.482,193 0.579,194 4,195 18.136,196 8.058,197 4.649,198 438.975,199 37.407,200 41.455,201 0.798,202 0.87,203 0.895,204 3.984,205 26.142,206 6.984,207 1.483,208 1.469,209 2.874,210 2.982,211 2.839,212 2.858,213 2.907,214 2.618,215 2.57,216 0.159,217 3.984,218 1.1,219 1.796,220 0.858,221 1.855,222 0.837,223 1.732,224 0.883,225 0.804,226 1.058,227 0.042,228 0.879,229 0.795,230 0.985,231 1.04,232 0.022,234 24.993,235 48.801,236 96,237 171.471,238 287.74,239 410.15,240 14.883,241 6.466,242 6.227,243 7.661,244 5.109,245 9.365,246 0.162,247 3,248 15.5,249 3,250 1,251 3,252 2,253 2,254 9,255 2,256 47.381,257 76.34,258 25.229,259 27.472,260 29.655,261 31.884,262 0.026,263 3.906,264 1.152,265 -0.03,266 1.425,267 4.157,268 78.827,269 1.755,270 4.265,271 3.544,272 4.253,273 3.399,274 0.46,275 0.498,276 45,277 30.065,278 1.535,279 7.541,280 1,281 2.398,282 4.595,283 0.487,284 3.937,285 0.83,286 20.803,287 23.081,288 0.3,289 5.835,290 5.628,291 4.381,292 4.079,293 6.902,294 4.701,295 3.75,296 2.85,297 4.85,298 2.85,299 0.836,302 50.29,303 43.307,304 34,305 1,306 1.952,307 2.879,308 1.335,309 0.357,310 0.797,311 0.342,312 1.52,313 2.361,314 0.048,315 3.555,316 5.602,317 6.454,318 3.57,319 34.5,320 4.785,321 5.595,322 4.234,323 4.124,324 5.612,325 0.357,326 0.797,327 49.127,328 103.15,329 1.499,330 148.608,331 8.259,332 9.32,333 4.34,334 5.26,335 135,336 1.493,337 90.91,338 0.083,339 0.836,340 4.126,341 0.124,342 1.343,343 0.31,344 0.805,345 3,346 4.034,347 0.082,348 0.319,349 3.378,350 3.741,351 3.741,352 1,353 0.311,354 87.731,355 18.724,356 14.857,357 15.938,358 1.672,359 0.087,360 3.478,361 3.622,362 3.454,363 4.289,364 3.306,365 0.771,366 4.937,367 3.72,368 4.788,369 4.579,370 3.873,372 3.873,373 1.417,374 1.433,375 3.467,376 12.021,377 0.349,378 -3.11,379 -3.1,380 -2.99,381 1.879,382 3.529,383 3.657,384 6.735,385 4.325,386 4.325,387 3.645,388 0.687,389 5.5,390 5.731,391 5.545,392 30.936,393 0.811,394 0.887,396 1,399 0.83,400 1.992,401 0.71,402 -0.464,403 0.703,404 1.15,405 4.335,406 0.88,407 0.116,408 0.244,409 4,410 9,411 2,413 136.183,414 136.183,415 0.108,416 1.992,417 7.431,418 7.427,419 3.334,420 3.068,421 1.106,422 1.01,423 1.515,424 0.212,425 1.239,426 1.186,427 3.129,428 166.608,429 166.608,430 98,431 10.695,432 6.439,433 6.953,434 5.2,435 0.582,436 4.32,437 0.831,438 0.831,439 15.547,440 0.246,441 0.397,442 0.646,443 31.897,444 3.501,445 6.581,446 3.146,447 4.118,448 0.115,449 286.574,450 66.238,451 66.238,452 66.238,454 1.557,455 161.853,456 166.608,457 0.197,458 1.033,459 6.903,460 2.267,461 1.145,462 51.584,463 -0.058,464 1.26,465 3.582,466 3.539,467 4.741,468 6.598,469 9.259,470 11.803,471 1.197,472 1.326,473 2.959,474 101.909,475 0.934,476 0.839,477 1.932,478 2,480 3.568,481 1.081,482 1.095,483 15.25,485 1.932,490 2.187,491 1.305,492 2.666,493 2.419,494 3.413,495 3.517,496 4.296,497 4.595,498 5.253,499 5.656,500 6.249,501 6.706,502 7.264,503 7.75,504 7.517,505 3.904,506 -0.015,507 15.715,508 15.715,509 15.715,510 15.715,511 15.715,512 16.169,513 -1.95,514 -1.95,515 1.124,516 1.236,517 1.308,518 11.418,519 9.959,520 12.284,521 4.288,522 3.279,523 4.636,524 106.782,525 5.357}
{0 CHEMBL453043,1 1.087,2 10.919,3 0.862,4 1.93,5 1.443,6 -0.072,7 1.676,8 6.568,9 6.568,10 16.857,11 5.716,12 3.386,13 5.636,14 57.723,15 24.509,16 68.556,17 5.035,18 2.159,19 1.185,20 1.185,21 2.726,22 13,23 0.38,24 3.957,25 10.422,26 2.084,27 0.903,28 34.6,29 1,30 1.974,31 0.423,32 11,33 13,34 7,35 8.346,36 5.061,37 4.955,38 4.962,39 4.909,40 4.808,41 4.975,42 11,43 3.951,44 4.014,45 3.863,46 2.021,47 2.044,48 11,49 3.807,50 34.913,51 3.607,52 4.62,53 4.912,54 26.439,55 1,56 9.937,57 11.555,58 12.662,59 14.161,60 15.385,61 16.825,62 18.115,63 19.524,64 20.852,65 1.399,66 0.908,67 0.592,68 0.722,69 3.82,70 1.857,71 3.502,72 1.065,73 1.898,74 0.837,75 0.76,76 0.853,77 1.148,78 0.958,79 0.312,80 4.786,81 5.033,82 3.917,83 3.81,84 4.876,85 5.149,86 4.73,87 3.621,88 3.488,89 3.547,90 3.433,91 10.783,92 1.242,93 27.807,94 13.619,95 31.924,96 13.252,97 26.898,98 0.939,99 5.906,100 15.838,101 1.005,102 22.275,103 0.857,104 1.452,105 0.645,106 1.181,107 0.308,108 61.921,109 0.466,110 7.159,111 0.187,112 6.36,113 4.004,114 2.533,115 0.035,116 1,117 13.577,118 6.894,119 0.407,120 4.018,121 4.167,122 4.559,123 4.778,124 4.49,125 4.757,126 0.782,127 11.766,128 4.383,129 6.448,130 1.137,131 21.662,132 0.856,133 21.131,134 9.485,135 0.561,136 0.723,137 6,138 3,139 3,140 1,141 10.837,142 4.13,143 2.378,144 1.421,145 1,146 1,147 1,148 3.989,149 29.933,150 6.754,151 0.851,152 1.045,153 0.895,154 1.087,155 1.054,156 10,157 1,158 3.322,159 1,160 1,161 296.423,162 0.123,163 -0.015,164 -0.089,165 11.5,166 1,167 3,168 3,169 1,170 52,171 53,172 6,173 9,174 1,175 26,176 7,177 9.75,178 3.227,179 0.92,180 8.23,181 294.278,182 50.29,183 344.567,184 294.278,185 294.278,186 50.29,187 294.278,188 49.744,189 294.278,190 294.278,191 31.807,192 294.278,193 0.559,194 9,195 20.057,196 10.669,197 6.882,198 513.204,199 52.101,200 59.561,201 0.583,202 0.751,203 0.824,204 3.989,205 32.557,206 6.989,207 1.432,208 1.429,209 2.992,210 3.08,211 2.808,212 2.874,213 3.009,214 2.735,215 2.715,216 0.148,217 3.989,218 1.39,219 1.973,220 1.185,221 1.942,222 0.978,223 1.878,224 0.998,225 0.907,226 1.414,227 0.469,228 0.934,229 0.821,230 1.239,231 1.308,232 5.799,234 30.826,235 55.676,236 116,237 196.912,238 338.54,239 472.226,240 15.389,241 8.725,242 8.481,243 8.872,244 4.855,245 9.049,246 0.154,247 5,248 13,249 5,250 1,251 5,252 2,253 2,254 9,255 2,256 47.381,257 76.34,258 25.614,259 27.957,260 30.262,261 32.596,262 0.035,263 3.842,264 1.145,265 0.013,266 1.568,267 4.043,268 90.848,269 1.891,270 3.709,271 3.749,272 3.614,273 3.68,274 0.385,275 0.438,276 19,277 24.813,278 1.063,279 7.182,280 1,281 2.398,282 4.595,283 0.481,284 4.301,285 0.83,286 20.973,287 23.338,288 0.313,289 5.93,290 5.729,291 4.998,292 4.708,293 8.216,294 6.467,295 10.809,296 2.89,297 4.89,298 2.89,299 0.793,302 50.29,303 42.552,304 34,305 1,306 1.802,307 3,308 1.505,309 0.505,310 1.16,311 0.491,312 1.696,313 2.915,314 0.552,315 3.555,316 5.602,317 6.418,318 3.57,319 34.5,320 4.751,321 5.533,322 4.234,323 4.187,324 5.593,325 0.505,326 1.16,327 48.513,328 99.804,329 1.7,330 172.765,331 8.259,332 8.259,333 4.246,334 4.246,335 135,336 1.633,337 107.542,338 0.076,339 0.822,340 3.696,341 0.134,342 0.916,343 0.471,344 0.765,345 1,346 3.873,347 0.092,348 0.232,349 3.356,350 3.768,351 3.768,352 1,353 0.138,354 79.751,355 18.765,356 14.663,357 15.774,358 1.815,359 0.1,360 3.431,361 3.855,362 3.796,363 4.979,364 3.73,365 1.127,366 7.506,367 12.25,368 6.841,369 11.509,370 3.444,371 0.058,372 3.444,373 1.763,374 1.632,375 2.989,376 8.935,377 0.265,378 -4.01,379 -3.96,380 -3.76,381 2.783,382 7.747,383 3.922,384 8.149,385 4.387,386 4.387,387 3.797,388 1.046,389 5.574,390 5.797,391 5.466,392 25.195,393 0.667,394 1.217,396 8,397 6,398 5,399 1,400 2.585,401 1,402 -0.201,403 0.576,404 1.113,405 4.239,406 1,407 0.139,408 -0.026,409 2,410 6,411 2,413 72.656,414 72.656,415 0.17,416 2.585,417 7.431,418 7.427,419 3.557,420 3.238,421 1.39,422 1.31,423 1.611,424 0.82,425 1.358,426 1.326,427 3.23,428 252.913,429 256.913,430 128,431 3.909,432 5.822,433 6.717,434 5.346,435 0.582,436 3.764,437 1.021,438 1.021,439 13.471,440 0.203,441 0.34,442 0.506,443 38.448,444 3.701,445 6.581,446 3.071,447 3.777,448 0.074,449 137.807,450 95.981,451 95.981,452 95.981,453 1,454 1.469,455 222.549,456 244.158,457 0.206,458 0.942,459 6.009,460 2.5,461 1.5,462 56.695,463 -0.06,464 1.463,465 3.818,466 3.748,467 6.996,468 8.886,469 10.84,470 14.083,471 1.417,472 1.6,473 3.09,474 102.982,475 1.146,476 1.08,477 1.57,478 1,480 3.577,481 1.678,482 1.189,483 16,485 1.57,490 2.543,491 2.029,492 3.371,493 3.433,494 4.422,495 4.747,496 5.564,497 6.027,498 6.755,499 7.293,500 7.976,501 8.557,502 9.216,503 9.822,504 9.35,505 3.685,506 -0.111,507 17.433,508 17.433,509 17.433,510 17.433,511 17.433,512 17.664,513 -0.877,514 -0.877,515 1.448,516 1.65,517 1.421,518 12.575,519 11.976,520 12.575,521 3.896,522 2.868,523 4.456,524 69.075,525 6.699}
{0 CHEMBL453289,3 1.634,4 1.904,5 1.469,6 -0.082,7 0.876,8 6.567,9 6.567,10 17.362,11 6.589,12 4.445,13 6.581,14 121.901,15 68.916,16 103.221,17 5.199,18 2.788,19 1.792,20 1.792,21 3.38,22 25,23 0.236,24 3.929,25 9.447,26 2.083,27 0.711,28 35.3,29 1,30 1.945,31 0.233,32 6,33 9,34 6,35 8.119,36 5.037,37 4.872,38 4.956,39 5.12,40 5.221,41 5.153,42 10,43 3.975,44 4.009,45 3.856,46 2.053,47 2.055,48 10,49 3.322,50 35.215,51 4.542,52 5.678,53 5.924,54 66.394,55 0.5,56 9.444,57 11.006,58 11.874,59 13.335,60 14.302,61 15.705,62 16.733,63 18.097,64 19.169,65 1.358,66 1.307,67 0.638,68 0.728,69 4.24,70 1.83,71 4.427,72 2.579,73 1.876,74 1.356,75 1.049,76 0.797,77 1.782,78 2.337,79 0.29,80 5.578,81 5.852,82 4.635,83 4.468,84 5.635,85 5.91,86 5.604,87 4.72,88 4.598,89 4.792,90 4.653,91 24.771,92 2.52,93 60.098,94 31.31,95 64.468,96 30.897,97 64.402,98 2.72,99 24.334,100 27.835,101 1.819,102 63.071,103 1.467,104 1.402,105 1.142,106 1.723,107 1.007,108 204.448,109 0.473,110 14.025,111 0.236,112 12.731,113 8.292,114 5.643,115 0.047,117 16.535,118 5.902,119 0.136,120 4.644,121 4.78,122 5.257,123 5.468,124 5.727,125 5.974,126 1.315,127 25.362,128 10.828,129 14.947,130 2.066,131 45.515,132 2.919,133 71.813,134 35.281,135 0.381,136 0.571,137 17,139 22,140 26,141 19.889,142 5.379,143 4.096,144 2.808,147 0.5,148 3.448,149 52.8,150 15.567,151 1.048,152 1.305,153 1.07,154 1.304,155 1.258,156 41,158 2.576,161 680.587,162 -0.131,163 -0.146,164 -0.012,165 1,170 102,171 103,172 20,173 27,175 59,176 18,177 18.583,178 7.521,179 0.889,180 19.573,181 682.724,182 108.434,183 791.158,184 682.724,185 682.724,186 108.434,187 612.097,189 682.724,190 682.724,191 72.01,192 682.724,193 0.543,194 26,195 37.279,196 22.577,197 16.109,198 963.861,199 100.69,200 115.796,201 0.386,202 0.579,203 0.727,204 3.448,205 61.813,206 6.448,207 1.391,208 1.391,209 3.556,210 3.614,211 3.406,212 3.504,213 3.556,214 3.274,215 3.291,216 0.078,217 3.448,218 1.46,219 2.059,220 1.423,221 2.01,222 1.342,223 2.008,224 1.554,225 1.493,226 1.834,227 1.133,228 1.436,229 1.382,230 1.697,231 1.69,232 18.031,233 17.023,234 56.587,235 124.327,236 341,237 354.515,238 643.64,239 856.777,240 27.451,241 17.064,242 16.592,243 17.217,244 4.759,245 8.76,246 0.149,247 5,248 10.5,249 5,250 1,251 5,252 2,253 2,254 9,255 2,256 47.381,257 71.712,258 25.927,259 28.269,260 30.565,261 32.9,262 0.009,263 3.826,264 1.135,265 0.036,266 1.762,267 4.355,269 1.976,270 4.328,271 4.474,272 4.421,273 4.498,274 0.703,275 1.072,276 85,277 49.013,278 2.438,279 6.987,283 1.194,284 6.164,285 0.5,286 21.301,287 23.669,288 0.319,289 6.457,290 6.604,291 5.855,292 5.635,293 20.945,294 22.261,295 32.321,296 3,297 5,298 3,299 0.717,300 4,301 1,302 179.061,303 100.991,304 54,305 4,306 2.418,307 3.662,308 2.451,309 1.451,310 3.153,311 1.437,312 2.5,313 3.643,314 1.5,315 4.007,316 6.061,317 6.88,318 3.932,319 50,320 5.133,321 5.979,322 4.691,323 4.639,324 6.037,325 1.451,326 3.153,327 68.536,328 155.167,329 1.847,330 262.792,331 12.536,332 12.536,333 7.148,334 7.148,335 214,336 1.82,337 198.367,338 0.081,339 0.785,340 3.527,341 0.135,342 1.853,343 0.969,344 1.634,345 1,346 3.861,347 0.09,348 0.221,349 3.55,350 3.933,351 3.933,352 1,353 0.147,354 129.679,355 19.123,356 15.151,357 16.271,358 2.033,359 0.134,360 3.637,361 4.618,362 4.612,363 5.881,364 4.657,365 2.485,366 20.005,367 29.437,368 20.846,369 30.473,370 3.341,371 0.033,372 3.341,373 2.01,374 1.934,375 10.746,376 115.47,377 0.191,378 -7.36,379 -7.14,380 -6.6,381 6.128,382 37.548,383 4.2,384 9.993,385 4.214,386 4.214,387 3.869,388 1.117,389 6.144,390 6.322,391 6.64,392 63.242,393 0.843,394 2.526,395 3,396 13,397 15,398 20,399 0.5,400 3.809,401 1.739,402 1.258,403 0.518,404 1.022,405 5.194,406 0.63,407 0.009,408 -0.138,409 1,410 1,411 6,412 3,413 18.011,414 18.011,415 0.252,416 3.809,417 7.44,418 7.432,419 3.782,420 3.589,421 1.733,422 1.671,423 1.899,424 1.254,425 1.753,426 1.779,427 8.43,428 542.265,429 573.568,430 238,431 3.885,432 5.266,433 6.684,434 5.214,435 0.725,436 4.264,437 1.685,438 1.685,439 24.895,440 0.228,441 0.366,442 0.604,443 65.69,444 3.967,446 3.497,447 4.235,448 0.396,449 217.206,450 154.692,451 154.692,452 154.692,453 1,454 1.449,455 394.176,456 495.054,457 0.202,458 0.946,459 9.577,460 2.829,461 1.819,462 145.538,463 -0.018,464 1.856,465 4.497,466 4.367,467 17.384,468 21.406,469 18.63,470 25.629,471 1.928,472 3.727,473 3.47,474 170.745,475 1.676,476 1.616,477 1.293,478 6,479 141.408,480 3.857,481 2.443,482 1.847,483 24.75,484 2,485 1.293,486 1,487 1,488 5,489 3,490 3.445,491 3.127,492 4.861,493 5.198,494 6.468,495 7.08,496 8.154,497 8.9,498 9.882,499 10.697,500 11.633,501 12.485,502 13.399,503 14.27,504 17.464,505 3.901,506 -0.063,507 29.001,508 29.001,509 29.001,510 29.001,511 29.001,512 29.356,513 2.406,514 2.406,515 1.727,516 1.992,517 1.885,518 20.833,519 20.203,520 20.833,521 4.02,522 3.174,523 4.486,524 82.682,525 4.602}
{0 CHEMBL457232,3 1.089,4 1.881,5 1.573,6 -0.097,8 6.567,9 6.567,10 17.401,11 6.281,12 4.135,13 6.264,14 87.624,15 53.825,16 60.742,17 5.199,18 2.447,19 1.445,20 1.445,21 3.181,22 17,23 0.306,24 3.87,26 2.083,27 0.636,28 32.9,30 1.885,31 0.118,33 3,35 6.923,36 4.19,37 4.234,38 4.317,39 4.454,40 4.382,41 4.407,42 4,43 3.96,44 3.992,45 3.814,46 2.052,47 2.055,48 4,49 2,50 35.333,51 4.303,52 5.47,53 5.738,54 52.135,55 0.67,56 9,57 10.312,58 11.383,59 12.613,60 13.757,61 14.959,62 16.132,63 17.326,64 18.51,65 1.343,66 1.256,67 0.656,68 0.741,69 4.176,70 1.759,71 4.109,72 2.049,73 1.847,74 1.486,75 1.118,76 0.768,77 1.433,78 3.266,79 0.297,80 5.41,81 5.696,82 4.437,83 4.259,84 5.466,85 5.747,86 5.46,87 4.507,88 4.346,89 4.515,90 4.353,91 20.435,92 2.021,93 49.731,94 25.703,95 53.41,96 25.867,97 54.272,98 2.157,99 18.46,100 22.534,101 2.009,102 49.778,103 1.464,104 1.387,105 1.142,106 1.617,107 0.879,108 194.576,109 0.483,110 11.466,111 0.252,112 10.349,113 6.964,114 4.647,115 0.056,117 15.088,118 5.668,120 4.452,121 4.595,122 5.076,123 5.301,124 5.537,125 5.814,126 1.084,127 21.393,128 8.899,129 12.507,130 1.672,131 37.703,132 2.201,133 57.391,134 27.699,135 0.34,136 0.531,137 16,139 16,140 15,141 15.998,142 5.124,143 4.21,144 2.977,147 0.5,148 3.341,149 43.333,150 13.444,151 1.104,152 1.369,153 1.099,154 1.366,155 1.309,156 40,158 2.199,161 544.798,162 -0.157,163 -0.169,164 0.015,165 1.2,170 85,171 85,172 19,173 25,175 51,176 16,177 15.583,178 6.472,179 0.868,180 17.417,181 588.555,182 97.435,183 685.99,184 576.784,185 588.555,186 97.435,187 529.7,189 588.555,190 588.555,191 54.935,192 588.555,193 0.535,194 22,195 30.939,196 19.14,197 12.986,198 805.232,199 83.828,200 96.925,201 0.343,202 0.535,203 0.687,204 3.341,205 50.313,206 5.341,207 1.372,208 1.37,209 3.385,210 3.461,211 3.217,212 3.357,213 3.425,214 3.125,215 3.125,216 0.098,217 3.341,218 1.46,219 2.059,220 1.423,221 2.009,222 1.341,223 1.96,224 1.405,225 1.329,226 1.721,227 1.007,228 1.311,229 1.246,230 1.586,231 1.584,232 17.812,233 11.346,234 45.765,235 119.566,236 242,237 289.956,238 527.63,239 699.252,240 22.319,241 13.924,242 13.525,243 14.047,244 4.19,245 8.117,246 0.152,248 4.5,252 1,253 1,254 3,255 1,257 25.378,258 26.048,259 28.391,260 30.689,261 33.021,262 0.015,263 3.715,264 1.14,265 0.055,266 1.711,267 4.229,269 1.949,270 4.121,271 4.292,272 4.114,273 4.29,274 0.506,275 0.821,276 109,277 39.212,278 2.5,279 6.581,283 0.958,284 5.701,285 0.67,286 21.409,287 23.779,288 0.32,289 6.291,290 6.421,291 5.72,292 5.43,293 17.245,294 18.198,295 27.029,296 3.001,297 4.98,298 3.001,299 0.681,300 3,301 1,302 156.29,303 93.864,304 41,305 2,306 2.329,307 3.305,308 2.223,309 1.23,310 2.446,311 1.212,312 1.866,313 3,314 0.855,315 3.738,316 5.796,317 6.613,318 3.638,319 37,320 4.836,321 5.714,322 4.419,323 4.372,324 5.787,325 1.23,326 2.446,327 49.423,328 117.662,329 1.761,330 186.923,331 9.668,332 9.668,333 4.828,334 4.828,335 164,336 1.761,338 0.073,339 0.762,340 3.461,341 0.139,342 1.222,343 0.62,344 0.998,346 3.81,347 0.091,348 0.218,349 3.496,350 3.933,351 3.933,353 0.187,354 102.579,355 19.202,356 15.17,357 16.295,358 1.999,359 0.145,360 3.546,361 4.448,362 4.434,363 5.696,364 4.458,365 2.001,366 16.868,367 25.075,368 17.2,369 25.553,370 3.193,371 0.019,372 3.193,373 1.969,374 1.885,375 8.083,376 65.34,377 0.199,378 -6.47,379 -6.3,380 -5.85,381 5.245,382 27.505,383 4.016,384 8.716,385 4.214,386 4.214,387 3.835,388 1.018,389 5.901,390 6.12,391 6.415,392 47.114,393 0.697,394 2.053,395 3,396 13,397 16,398 14,399 0.5,400 3.262,401 1.343,402 0.753,403 0.51,404 1.001,405 4.771,406 0.63,407 0.006,408 -0.154,410 1,411 5,412 2,413 18.011,414 18.011,415 0.259,416 3.262,417 7.456,418 7.434,419 3.726,420 3.523,421 1.676,422 1.616,423 1.856,424 1.236,425 1.616,426 1.655,427 8.187,428 418.476,429 449.779,430 161,431 3.868,432 2.995,433 6.142,434 5.214,435 0.701,436 4.037,437 1.356,438 1.356,439 21.623,440 0.325,441 0.523,442 0.859,443 58.563,444 3.8,446 3.367,447 3.971,448 0.215,449 166.334,450 101.231,451 101.231,452 101.231,453 1,454 1.464,455 291.725,456 374.02,457 0.201,458 0.921,459 7.37,460 2.62,461 1.587,462 128.726,463 -0.031,464 1.741,465 4.283,466 4.138,467 14.066,468 17.266,469 14.851,470 20.318,471 1.833,472 2.946,473 3.294,474 135.239,475 1.55,476 1.485,477 1.286,478 5,479 110.804,480 3.851,481 2.443,482 1.688,483 19.25,484 2,485 1.286,486 1,487 1,488 5,489 2,490 3.172,491 2.882,492 4.579,493 4.982,494 6.22,495 6.893,496 7.95,497 8.741,498 9.717,499 10.563,500 11.5,501 12.373,502 13.291,503 14.178,504 13.302,505 3.45,506 -0.074,507 22.924,508 22.924,509 22.924,510 22.924,511 22.924,512 23.175,513 0.764,514 0.764,515 1.663,516 1.928,517 1.774,518 16.438,519 15.911,520 16.438,521 4.051,522 2.461,523 4.025,524 46.296,525 7.456}
{0 CHEMBL457736,3 1.244,4 1.88,5 1.519,6 -0.024,8 6.567,9 6.567,10 17.243,11 6.31,12 4.079,13 6.204,14 89.024,15 50.663,16 57.117,17 5.198,18 2.453,19 1.454,20 1.454,21 3.149,22 19,23 0.315,24 3.87,26 2.083,27 0.694,28 32.6,30 1.882,31 0.121,33 2,35 6.827,36 4.094,37 4.174,38 4.263,39 4.382,40 4.277,41 4.19,42 4,43 3.959,44 3.992,45 3.814,46 2.052,47 2.055,48 4,49 1.585,50 35.152,51 4.275,52 5.428,53 5.703,54 52.757,55 0.67,56 8.929,57 10.226,58 11.29,59 12.511,60 13.648,61 14.845,62 16.012,63 17.202,64 18.382,65 1.348,66 1.296,67 0.67,68 0.742,69 4.176,70 1.752,71 4.06,72 2.015,73 1.847,74 1.515,75 1.151,76 0.764,77 1.438,78 3.27,79 0.286,80 5.427,81 5.719,82 4.441,83 4.246,84 5.469,85 5.763,86 5.426,87 4.464,88 4.298,89 4.497,90 4.321,91 20.925,92 2.026,93 49.266,94 25.901,95 51.518,96 25.818,97 50.781,98 2.057,99 18.03,100 21.741,101 2.032,102 50.168,103 1.52,104 1.382,105 1.142,106 1.642,107 0.879,108 180.411,109 0.481,110 11.487,111 0.264,112 10.579,113 6.824,114 4.66,115 0.058,117 15.091,118 5.44,120 4.458,121 4.608,122 5.087,123 5.317,124 5.485,125 5.759,126 1.095,127 21.875,128 9.124,129 12.884,130 1.69,131 37.735,132 2.145,133 53.636,134 26.914,135 0.317,136 0.512,137 17,139 16,140 17,141 15.742,142 5.188,143 4.381,144 3.117,147 0.5,148 3.341,149 42.467,150 13.668,151 1.18,152 1.402,153 1.127,154 1.396,155 1.329,156 41,158 2.045,161 552.659,162 -0.184,163 -0.179,164 -0.014,165 1.2,170 86,171 86,172 20,173 26,175 53,176 17,177 15.667,178 6.583,179 0.873,180 17.01,181 600.326,182 72.29,183 672.616,184 600.326,185 600.326,186 72.29,187 529.7,189 600.326,190 600.326,191 57.47,192 600.326,193 0.54,194 22,195 30.265,196 18.548,197 13.642,198 798.284,199 84.385,200 98.131,201 0.318,202 0.515,203 0.684,204 3.341,205 50.62,206 5.341,207 1.377,208 1.376,209 3.437,210 3.504,211 3.269,212 3.363,213 3.445,214 3.189,215 3.173,216 0.101,217 3.341,218 1.46,219 2.059,220 1.423,221 2.009,222 1.342,223 1.971,224 1.418,225 1.351,226 1.723,227 1.007,228 1.37,229 1.301,230 1.601,231 1.633,232 18.925,233 11.339,234 45.577,235 113.759,236 231,237 288.887,238 521.48,239 696.645,240 22.118,241 13.951,242 13.53,243 14.05,244 4.06,245 8.049,246 0.141,248 3,252 1,253 1,254 2,255 1,257 14.383,258 25.826,259 28.18,260 30.486,261 32.829,262 0.061,263 3.697,264 1.141,265 0.026,266 1.721,267 4.197,269 1.951,270 4.023,271 4.256,272 4.056,273 4.266,274 0.452,275 0.885,276 102,277 35.108,278 2.125,279 6.538,283 0.57,284 5.612,285 0.67,286 21.175,287 23.556,288 0.326,289 6.207,290 6.245,291 5.701,292 5.462,293 17.243,294 17.344,295 25.768,296 3,297 4.98,298 3,299 0.68,300 4,301 1,302 142.916,303 111.285,304 40,305 2,306 1.919,307 3.288,308 2.019,309 1.034,310 2.315,311 1.005,312 1.857,313 3,314 0.838,315 3.714,316 5.759,317 6.572,318 3.584,319 35,320 4.787,321 5.68,322 4.394,323 4.349,324 5.754,325 1.034,326 2.315,327 47.504,328 114.329,329 1.761,330 175.878,331 9.274,332 9.274,333 4.587,334 4.587,335 158,336 1.775,338 0.071,339 0.76,340 3.465,341 0.139,342 1.222,343 0.577,344 1.187,346 3.811,347 0.09,348 0.222,349 3.496,350 3.932,351 3.932,353 0.195,354 98.377,355 18.98,356 15.014,357 16.139,358 2.011,359 0.152,360 3.548,361 4.438,362 4.426,363 5.737,364 4.437,365 2.003,366 16.542,367 24.877,368 16.87,369 25.235,370 3.102,371 0.013,372 3.102,373 1.992,374 1.885,375 8.498,376 72.209,377 0.192,378 -6.94,379 -6.74,380 -6.24,381 5.707,382 32.573,383 4.026,384 8.743,385 4.213,386 4.213,387 3.835,388 1.12,389 5.864,390 6.14,391 6.33,392 39.331,393 0.67,394 2.03,395 3,396 13,397 14,398 17,399 0.5,400 3.299,401 1.342,402 0.512,403 0.494,404 1.027,405 4.923,406 0.63,407 -0.001,408 -0.152,410 1,411 4,412 2,413 32.897,414 32.897,415 0.256,416 3.299,417 7.435,418 7.43,419 3.726,420 3.524,421 1.676,422 1.616,423 1.856,424 1.254,425 1.653,426 1.671,427 8.557,428 422.336,429 453.639,430 157,431 3.866,432 2.216,433 6.089,434 5.213,435 0.767,436 3.981,437 1.319,438 1.319,439 21.29,440 0.317,441 0.512,442 0.832,443 75.984,444 3.825,446 3.391,447 3.944,448 0.244,449 160.091,450 92.771,451 92.771,452 92.771,453 1,454 1.455,455 284.612,456 377.88,457 0.206,458 0.97,459 6.796,460 2.351,461 1.346,462 66.865,463 -0.014,464 1.751,465 4.298,466 4.142,467 14.422,468 17.443,469 14.221,470 20.153,471 1.834,472 2.981,473 3.325,474 135.065,475 1.554,476 1.492,477 1.238,478 5,479 107.24,480 3.818,481 2.443,482 1.686,483 18.25,484 2,485 1.238,486 1,487 1,488 5,489 2,490 3.074,491 2.882,492 4.551,493 4.982,494 6.212,495 6.892,496 7.947,497 8.739,498 9.714,499 10.561,500 11.497,501 12.37,502 13.288,503 14.175,504 11.207,505 3.407,506 -0.041,507 22.001,508 22.001,509 22.001,510 22.001,511 22.001,512 22.208,513 0.624,514 0.624,515 1.67,516 1.928,517 1.779,518 15.883,519 15.477,520 15.883,521 3.946,522 2.416,523 3.951,524 35.301,525 4.602}
{0 CHEMBL458090,3 1.414,4 1.904,5 1.465,6 -0.092,7 0.871,8 6.567,9 6.567,10 17.172,11 6.342,12 4.215,13 6.368,14 91.053,15 55.412,16 82.742,17 5.198,18 2.681,19 1.682,20 1.682,21 3.245,22 22,23 0.26,24 3.929,25 9.365,26 2.083,27 0.716,28 35.6,29 1,30 1.968,31 0.256,32 6,33 9,34 6,35 8.006,36 4.934,37 4.758,38 4.845,39 4.989,40 5.01,41 4.853,42 10,43 3.965,44 3.997,45 3.852,46 2.051,47 2.054,48 10,49 3.322,50 35.126,51 4.328,52 5.458,53 5.711,54 54.266,55 0.5,56 9.311,57 10.908,58 11.742,59 13.232,60 14.173,61 15.6,62 16.609,63 17.993,64 19.051,65 1.339,66 1.255,67 0.623,68 0.721,69 4.235,70 1.872,71 4.21,72 2.146,73 1.876,74 1.342,75 0.995,76 0.793,77 1.679,78 2.292,79 0.289,80 5.438,81 5.713,82 4.482,83 4.319,84 5.452,85 5.719,86 5.436,87 4.466,88 4.344,89 4.456,90 4.336,91 21.502,92 2.156,93 52.765,94 27.047,95 54.217,96 26.152,97 54.012,98 2.151,99 17.404,100 25.449,101 1.867,102 50.785,103 1.302,104 1.385,105 1.133,106 1.677,107 0.88,108 158.863,109 0.476,110 12.525,111 0.225,112 10.811,113 7.401,114 4.95,115 0.049,117 16.564,118 6.065,119 0.15,120 4.527,121 4.658,122 5.131,123 5.336,124 5.461,125 5.711,126 1.162,127 22.142,128 9.463,129 12.963,130 1.807,131 40.169,132 2.131,133 55.809,134 25.405,135 0.395,136 0.57,137 16,139 10,140 11,141 17.872,142 5.164,143 3.887,144 2.733,147 0.5,148 3.448,149 47.6,150 13.714,151 1.008,152 1.294,153 1.076,154 1.314,155 1.272,156 34,158 2.604,161 584.267,162 -0.129,163 -0.168,164 0.015,165 1.1,170 90,171 91,172 18,173 23,175 51,176 18,177 15.917,178 6.604,179 0.896,180 17.861,181 588.555,182 108.434,183 696.99,184 588.555,185 588.555,186 108.434,187 541.471,189 588.555,190 588.555,191 71.581,192 588.555,193 0.538,194 24,195 33.298,196 20.92,197 14.881,198 851.613,199 89.156,200 102.135,201 0.401,202 0.579,203 0.712,204 3.448,205 54.768,206 6.448,207 1.374,208 1.375,209 3.524,210 3.588,211 3.38,212 3.385,213 3.457,214 3.21,215 3.191,216 0.086,217 3.448,218 1.46,219 2.059,220 1.423,221 2.009,222 1.341,223 2.008,224 1.489,225 1.434,226 1.728,227 1.007,228 1.398,229 1.322,230 1.612,231 1.65,232 17.389,233 16.406,234 50.48,235 105.989,236 297,237 316.146,238 574.44,239 763.156,240 24.296,241 15.22,242 14.893,243 15.375,244 4.65,245 8.667,246 0.144,247 5,248 10.5,249 5,250 1,251 5,252 2,253 2,254 9,255 2,256 47.381,257 71.712,258 25.778,259 28.136,260 30.449,261 32.798,262 0.009,263 3.826,264 1.135,265 0.046,266 1.761,267 4.355,269 1.975,270 4.139,271 4.307,272 4.206,273 4.31,274 0.666,275 0.83,276 51,277 43.972,278 1.938,279 6.849,283 1.01,284 5.657,285 0.5,286 21.117,287 23.5,288 0.319,289 6.279,290 6.398,291 5.697,292 5.444,293 17.901,294 17.434,295 25.528,296 3,297 5,298 3,299 0.701,300 2,301 1,302 155.519,303 82.912,304 48,305 4,306 2.382,307 3.629,308 2.309,309 1.317,310 2.901,311 1.299,312 2.351,313 3.323,314 1.345,315 3.892,316 5.948,317 6.753,318 3.85,319 46,320 5.034,321 5.844,322 4.575,323 4.518,324 5.881,325 1.317,326 2.901,327 62.308,328 136.203,329 1.846,330 234.404,331 11.434,332 11.434,333 6.243,334 6.243,335 191,336 1.82,337 178.422,338 0.077,339 0.78,340 3.405,341 0.139,342 1.293,343 0.772,344 1.416,345 1,346 3.857,347 0.093,348 0.19,349 3.53,350 3.932,351 3.932,352 1,353 0.109,354 118.898,355 18.917,356 14.947,357 16.075,358 2.033,359 0.135,360 3.605,361 4.455,362 4.445,363 5.709,364 4.458,365 2.102,366 17.473,367 25.626,368 17.362,369 25.678,370 3.34,371 0.035,372 3.34,373 1.996,374 1.885,375 9.137,376 83.476,377 0.201,378 -6.63,379 -6.45,380 -5.98,381 5.399,382 29.148,383 4.233,384 10.149,385 4.213,386 4.213,387 3.866,388 1.087,389 6.059,390 6.197,391 6.448,392 59.956,393 0.737,394 2.121,395 2,396 13,397 11,398 10,399 0.5,400 3.774,401 1.514,402 1,403 0.529,404 0.985,405 5.029,406 0.63,407 0.004,408 -0.166,409 1,410 1,411 6,412 3,413 18.011,414 18.011,415 0.264,416 3.774,417 7.44,418 7.432,419 3.727,420 3.524,421 1.676,422 1.616,423 1.856,424 1.142,425 1.726,426 1.742,427 4.403,428 463.454,429 494.757,430 217,431 3.876,432 5.315,433 6.595,434 5.213,435 0.723,436 4.12,437 1.492,438 1.492,439 20.109,440 0.209,441 0.341,442 0.54,443 65.261,444 4.002,446 3.493,447 4.125,448 0.235,449 196.873,450 136.613,451 136.613,452 136.613,453 1,454 1.432,455 338.339,456 416.243,457 0.208,458 0.925,459 8.458,460 2.739,461 1.724,462 122.816,463 -0.02,464 1.816,465 4.363,466 4.24,467 15.157,468 18.576,469 17.285,470 22.92,471 1.835,472 3.292,473 3.506,474 152.653,475 1.567,476 1.516,477 1.327,478 6,479 126.98,480 3.74,481 2.443,482 1.747,483 22.75,484 2,485 1.327,486 1,487 1,488 3,489 3,490 3.445,491 3.127,492 4.861,493 5.198,494 6.468,495 7.08,496 8.154,497 8.9,498 9.882,499 10.697,500 11.633,501 12.485,502 13.399,503 14.27,504 17.464,505 3.776,506 -0.071,507 26.639,508 26.639,509 26.639,510 26.639,511 26.639,512 26.996,513 1.758,514 1.758,515 1.68,516 1.929,517 1.799,518 19.028,519 18.387,520 19.028,521 3.912,522 2.946,523 4.391,524 65.032,525 4.602}
{0 CHEMBL458108,3 1.33,4 1.88,5 1.536,6 -0.072,8 6.567,9 6.567,10 17.122,11 6.236,12 4.004,13 6.119,14 80.377,15 47.583,16 46.732,17 5.197,18 2.447,19 1.445,20 1.445,21 3.145,22 20,23 0.325,24 3.869,26 2.084,27 0.768,28 33.3,30 1.895,31 0.125,33 2,35 6.775,36 4.06,37 4.143,38 4.22,39 4.331,40 4.159,41 4.143,42 4,43 3.957,44 3.989,45 3.812,46 2.051,47 2.055,48 4,49 1.585,50 35.123,51 4.224,52 5.373,53 5.645,54 49.024,55 0.67,56 8.768,57 10.075,58 11.116,59 12.34,60 13.469,61 14.667,62 15.833,63 17.025,64 18.207,65 1.337,66 1.308,67 0.677,68 0.738,69 4.088,70 1.778,71 4.008,72 1.901,73 1.847,74 1.551,75 1.179,76 0.757,77 1.433,78 3.304,79 0.277,80 5.397,81 5.692,82 4.412,83 4.207,84 5.42,85 5.717,86 5.384,87 4.422,88 4.252,89 4.455,90 4.27,91 20.652,92 1.98,93 46.954,94 25.326,95 48.39,96 25.167,97 47.887,98 1.967,99 17.77,100 21.217,101 2.128,102 48.069,103 1.502,104 1.365,105 1.142,106 1.64,107 0.879,108 161.134,109 0.484,110 11.347,111 0.272,112 10.328,113 6.737,114 4.455,115 0.061,117 15.094,118 5.39,120 4.43,121 4.575,122 5.065,123 5.296,124 5.43,125 5.703,126 1.055,127 21.273,128 9.16,129 12.773,130 1.649,131 36.703,132 2.053,133 50.269,134 25.985,135 0.287,136 0.494,137 18,139 18,140 19,141 15.251,142 5.227,143 4.547,144 3.215,147 0.5,148 3.34,149 41.067,150 13.465,151 1.18,152 1.386,153 1.143,154 1.384,155 1.329,156 43,158 1.846,161 536.955,162 -0.185,163 -0.186,164 -0.007,170 84,171 84,172 20,173 26,175 52,176 18,177 15.5,178 6.597,179 0.872,180 17.099,181 612.097,182 72.29,183 684.387,184 612.097,185 612.097,186 72.29,187 565.013,189 612.097,190 612.097,191 60.004,192 612.097,193 0.534,194 22,195 29.305,196 18.672,197 14.222,198 779.692,199 82.283,200 95.633,201 0.289,202 0.497,203 0.667,204 3.34,205 49.614,206 5.34,207 1.363,208 1.361,209 3.417,210 3.478,211 3.249,212 3.356,213 3.428,214 3.174,215 3.163,216 0.104,217 3.34,218 1.46,219 2.059,220 1.423,221 2.009,222 1.342,223 1.966,224 1.413,225 1.344,226 1.723,227 1.007,228 1.351,229 1.29,230 1.586,231 1.608,232 20.073,233 11.356,234 44.556,235 108.054,236 220,237 282.093,238 510.48,239 680.066,240 21.67,241 13.786,242 13.363,243 13.874,244 4.007,245 7.932,246 0.136,248 3,252 1,253 1,254 2,255 1,257 14.383,258 25.763,259 28.126,260 30.443,261 32.793,262 -0.027,263 3.677,264 1.138,265 0.004,266 1.716,267 4.176,269 1.939,270 3.949,271 4.21,272 3.997,273 4.214,274 0.444,275 0.824,276 89,277 30.834,278 1.875,279 6.399,283 0.513,284 5.431,285 0.67,286 21.085,287 23.477,288 0.329,289 6.112,290 6.161,291 5.663,292 5.385,293 17.123,294 16.995,295 24.782,296 3,297 4.979,298 3,299 0.664,300 2,301 1,302 119.374,303 80.922,304 38,306 1.919,307 3,308 1.847,309 0.854,310 1.612,311 0.846,312 1.75,313 2.964,314 0.741,315 3.664,316 5.707,317 6.512,318 3.555,319 34,320 4.745,321 5.609,322 4.344,323 4.301,324 5.673,325 0.854,326 1.612,327 45.677,328 107.232,329 1.761,330 155.045,331 8.726,332 8.726,333 4.57,334 4.57,335 150,336 1.771,338 0.073,339 0.753,340 3.351,341 0.138,342 1.062,343 0.486,344 1.246,346 3.81,347 0.093,348 0.196,349 3.496,350 3.932,351 3.932,353 0.174,354 95.624,355 18.868,356 14.877,357 16.012,358 2.017,359 0.16,360 3.545,361 4.404,362 4.38,363 5.65,364 4.384,365 1.91,366 16.415,367 24.103,368 16.278,369 23.825,370 2.902,371 0.02,372 2.902,373 1.992,374 1.885,375 9.468,376 89.637,377 0.181,378 -7.72,379 -7.49,380 -6.91,381 6.495,382 42.184,383 4.032,384 8.763,385 4.213,386 4.213,387 3.819,388 1.118,389 5.824,390 6.029,391 6.257,392 37.815,393 0.587,394 1.971,395 2,396 15,397 16,398 19,399 0.5,400 3.266,401 1.03,402 0.499,403 0.489,404 1.01,405 4.789,406 0.75,407 0.023,408 -0.161,411 4,412 2,415 0.262,416 3.266,417 7.435,418 7.43,419 3.726,420 3.524,421 1.676,422 1.616,423 1.856,424 1.255,425 1.631,426 1.662,427 8.713,428 406.632,429 437.935,430 153,431 3.864,432 2.008,433 6.014,434 5.213,435 0.71,436 3.894,437 1.317,438 1.317,439 19.565,440 0.309,441 0.501,442 0.806,443 45.622,444 3.834,446 3.39,447 3.896,448 0.211,449 153.064,450 95.305,451 95.305,452 95.305,453 1,454 1.431,455 266.908,456 358.176,457 0.208,458 0.988,459 6.366,460 2.351,461 1.345,462 57.013,463 -0.027,464 1.75,465 4.278,466 4.115,467 14.41,468 17.284,469 14.06,470 19.641,471 1.834,472 3.005,473 3.34,474 131.841,475 1.554,476 1.492,477 1.166,478 7,479 103.685,480 3.706,481 2.443,482 1.514,483 17.5,484 2,485 1.166,486 1,487 1,488 4,489 2,490 3.048,491 2.882,492 4.524,493 4.955,494 6.177,495 6.85,496 7.901,497 8.685,498 9.656,499 10.495,500 11.427,501 12.293,502 13.205,503 14.085,504 10.915,505 3.32,506 -0.063,507 21.501,508 21.501,509 21.501,510 21.501,511 21.501,512 21.692,513 0.61,514 0.61,515 1.67,516 1.928,517 1.778,518 15.473,519 15.093,520 15.473,521 3.757,522 2.339,523 3.871,524 35.301,525 4.602}
{0 CHEMBL458622,3 1.293,4 1.881,5 1.57,6 -0.093,8 6.567,9 6.567,10 17.288,11 6.397,12 4.172,13 6.342,14 102.296,15 56.227,16 75.318,17 5.198,18 2.482,19 1.496,20 1.496,21 3.184,22 19,23 0.297,24 3.872,26 2.083,27 0.639,28 33,30 1.888,31 0.114,33 3,35 6.97,36 4.263,37 4.29,38 4.344,39 4.466,40 4.407,41 4.407,42 4,43 3.961,44 3.994,45 3.815,46 2.052,47 2.055,48 4,49 2,50 35.195,51 4.355,52 5.511,53 5.78,54 56.414,55 0.67,56 8.955,57 10.268,58 11.323,59 12.552,60 13.687,61 14.887,62 16.054,63 17.246,64 18.426,65 1.341,66 1.307,67 0.658,68 0.74,69 4.177,70 1.765,71 4.17,72 2.148,73 1.847,74 1.458,75 1.102,76 0.774,77 1.455,78 3.263,79 0.286,80 5.447,81 5.735,82 4.472,83 4.286,84 5.498,85 5.783,86 5.48,87 4.531,88 4.377,89 4.553,90 4.392,91 21.231,92 2.092,93 51.281,94 26.706,95 54.538,96 26.87,97 55.367,98 2.21,99 19.044,100 23.189,101 1.963,102 52.045,103 1.487,104 1.381,105 1.142,106 1.654,107 0.879,108 205.459,109 0.483,110 11.867,111 0.257,112 10.81,113 7.056,114 4.836,115 0.056,117 15.171,118 5.634,120 4.485,121 4.629,122 5.111,123 5.337,124 5.539,125 5.805,126 1.123,127 22.172,128 9.24,129 12.994,130 1.735,131 38.977,132 2.272,133 57.924,134 28.38,135 0.333,136 0.528,137 17,139 16,140 17,141 16.52,142 5.183,143 4.29,144 3.023,147 0.5,148 3.341,149 44.633,150 13.921,151 1.114,152 1.373,153 1.109,154 1.37,155 1.315,156 41,158 2.169,161 568.43,162 -0.16,163 -0.172,164 0.002,165 1.1,170 88,171 88,172 20,173 26,175 53,176 17,177 16.083,178 6.694,179 0.869,180 18.271,181 612.097,182 97.435,183 709.532,184 600.326,185 612.097,186 97.435,187 541.471,189 612.097,190 612.097,191 57.47,192 612.097,193 0.533,194 23,195 31.939,196 20.022,197 14.288,198 831.308,199 86.712,200 100.341,201 0.336,202 0.532,203 0.696,204 3.341,205 52.075,206 5.341,207 1.369,208 1.368,209 3.479,210 3.545,211 3.323,212 3.374,213 3.454,214 3.205,215 3.184,216 0.095,217 3.341,218 1.46,219 2.059,220 1.423,221 2.009,222 1.342,223 1.975,224 1.435,225 1.374,226 1.724,227 1.007,228 1.392,229 1.316,230 1.609,231 1.647,232 18.375,233 11.402,234 47.292,235 125.484,236 253,237 299.548,238 544.93,239 722.658,240 23.026,241 14.407,242 13.993,243 14.53,244 4.19,245 8.096,246 0.15,248 4.5,252 1,253 1,254 3,255 1,257 25.378,258 25.893,259 28.24,260 30.54,261 32.878,262 0.01,263 3.716,264 1.14,265 0.037,266 1.727,267 4.232,269 1.958,270 4.132,271 4.317,272 4.19,273 4.338,274 0.515,275 0.938,276 116,277 39.872,278 2.25,279 6.553,283 0.886,284 5.788,285 0.67,286 21.253,287 23.626,288 0.324,289 6.28,290 6.425,291 5.744,292 5.501,293 17.958,294 18.577,295 27.596,296 3,297 4.98,298 3,299 0.691,300 4,301 1,302 168.061,303 96.399,304 42,305 2,306 2.299,307 3.305,308 2.224,309 1.23,310 2.458,311 1.213,312 2.176,313 3,314 0.978,315 3.761,316 5.814,317 6.629,318 3.664,319 38,320 4.86,321 5.727,322 4.443,323 4.397,324 5.795,325 1.23,326 2.458,327 50.722,328 119.849,329 1.762,330 190.895,331 9.697,332 9.697,333 5.237,334 5.237,335 167,336 1.78,338 0.08,339 0.768,340 3.424,341 0.137,342 1.462,343 0.714,344 1.309,346 3.812,347 0.092,348 0.211,349 3.497,350 3.932,351 3.932,353 0.181,354 105.478,355 19.057,356 15.06,357 16.186,358 2.011,359 0.147,360 3.55,361 4.48,362 4.476,363 5.762,364 4.503,365 2.107,366 17.325,367 25.972,368 17.943,369 26.697,370 3.136,371 0.019,372 3.136,373 1.992,374 1.885,375 8.472,376 71.775,377 0.196,378 -6.67,379 -6.49,380 -6.01,381 5.44,382 29.594,383 4.03,384 8.843,385 4.214,386 4.214,387 3.844,388 1.099,389 5.927,390 6.145,391 6.419,392 47.233,393 0.698,394 2.12,395 3,396 13,397 14,398 17,399 0.5,400 3.4,401 1.514,402 0.754,403 0.507,404 1.014,405 4.844,406 0.63,407 0.007,408 -0.158,410 1,411 5,412 2,413 18.011,414 18.011,415 0.261,416 3.4,417 7.456,418 7.434,419 3.726,420 3.524,421 1.676,422 1.616,423 1.856,424 1.254,425 1.689,426 1.692,427 8.452,428 440.107,429 471.41,430 168,431 3.868,432 3,433 6.146,434 5.214,435 0.702,436 4.044,437 1.412,438 1.412,439 22.124,440 0.326,441 0.523,442 0.863,443 61.098,444 3.814,446 3.393,447 3.996,448 0.273,449 170.334,450 103.766,451 103.766,452 103.766,453 1,454 1.452,455 302.383,456 395.651,457 0.202,458 0.94,459 7.391,460 2.625,461 1.588,462 118.547,463 -0.03,464 1.753,465 4.319,466 4.172,467 14.62,468 17.985,469 15.351,470 20.982,471 1.834,472 3.185,473 3.302,474 139.917,475 1.554,476 1.493,477 1.277,478 5,479 114.477,480 3.834,481 2.443,482 1.795,483 19.75,484 2,485 1.277,486 1,487 1,488 5,489 2,490 3.172,491 2.882,492 4.579,493 4.982,494 6.22,495 6.893,496 7.95,497 8.741,498 9.717,499 10.563,500 11.5,501 12.373,502 13.291,503 14.178,504 13.302,505 3.425,506 -0.071,507 23.579,508 23.579,509 23.579,510 23.579,511 23.579,512 23.833,513 1.351,514 1.351,515 1.671,516 1.928,517 1.779,518 16.921,519 16.392,520 16.921,521 3.983,522 2.435,523 4.025,524 46.296,525 5.301}
{0 CHEMBL458623,3 1.45,4 1.881,5 1.599,6 -0.112,8 6.567,9 6.567,10 17.919,11 6.516,12 4.434,13 6.578,14 108.557,15 68.886,16 96.547,17 5.2,18 2.788,19 1.792,20 1.792,21 3.304,22 22,23 0.26,24 3.877,26 2.083,27 0.794,28 32.7,30 1.856,31 0.1,33 3,35 7.188,36 4.382,37 4.454,38 4.543,39 4.605,40 4.533,41 4.554,42 4,43 3.965,44 3.999,45 3.818,46 2.052,47 2.055,48 4,49 2,50 35.709,51 4.523,52 5.691,53 5.941,54 64.422,55 0.5,56 9.384,57 10.653,58 11.732,59 12.94,60 14.079,61 15.268,62 16.433,63 17.617,64 18.793,65 1.361,66 1.307,67 0.671,68 0.749,69 4.232,70 1.708,71 4.375,72 2.473,73 1.847,74 1.6,75 1.29,76 0.76,77 1.782,78 3.236,79 0.275,80 5.585,81 5.857,82 4.606,83 4.433,84 5.66,85 5.953,86 5.606,87 4.726,88 4.593,89 4.781,90 4.633,91 24.11,92 2.386,93 60.028,94 30.135,95 63.996,96 30.75,97 64.427,98 2.657,99 23.623,100 25.551,101 2.04,102 65.703,103 1.643,104 1.407,105 1.142,106 1.723,107 1.007,108 275.832,109 0.474,110 13.275,111 0.258,112 13.171,113 7.478,114 5.186,115 0.051,117 15.575,118 5.623,120 4.624,121 4.766,122 5.254,123 5.478,124 5.781,125 6.037,126 1.278,127 25.603,128 10.561,129 14.851,130 1.966,131 45.411,132 2.826,133 74.763,134 35.141,135 0.318,136 0.521,137 17,139 22,140 23,141 18.971,142 5.384,143 4.525,144 3.169,147 0.5,148 3.341,149 51.3,150 15.691,151 1.117,152 1.343,153 1.022,154 1.334,155 1.253,156 41,158 2.133,161 672.479,162 -0.134,163 -0.14,164 -0.055,165 1,170 101,171 101,172 20,173 30,175 61,176 17,177 19.417,178 7.493,179 0.862,180 19.093,181 706.266,182 108.434,183 814.701,184 706.266,185 706.266,186 108.434,187 529.7,189 706.266,190 706.266,191 64.232,192 706.266,193 0.553,194 25,195 36.896,196 20.7,197 17.445,198 958.72,199 99.574,200 115.211,201 0.32,202 0.524,203 0.694,204 3.341,205 59.575,206 5.341,207 1.402,208 1.4,209 3.553,210 3.612,211 3.392,212 3.462,213 3.526,214 3.258,215 3.264,216 0.084,217 3.341,218 1.46,219 2.059,220 1.423,221 2.009,222 1.342,223 1.977,224 1.554,225 1.492,226 1.834,227 1.118,228 1.425,229 1.364,230 1.667,231 1.675,232 17.993,233 16.98,234 54.114,235 157.297,236 308,237 341.914,238 622.92,239 826.03,240 26.857,241 16.221,242 15.599,243 16.368,244 4.357,245 8.454,246 0.142,248 4.5,252 1,253 1,254 3,255 1,257 21.145,258 26.42,259 28.757,260 31.062,261 33.393,262 -0.038,263 3.74,264 1.141,265 -0.044,266 1.731,267 4.243,269 1.966,270 4.31,271 4.453,272 4.357,273 4.47,274 0.704,275 1.004,276 173,277 48.267,278 3,279 7.013,283 1.329,284 6.519,285 0.5,286 21.78,287 24.138,288 0.332,289 6.464,290 6.626,291 5.856,292 5.625,293 20.214,294 22.218,295 32.919,296 3,297 4.98,298 3,299 0.689,300 13,301 1,302 285.001,303 122.874,304 51,305 2,306 2.417,307 3.659,308 2.312,309 1.319,310 2.909,311 1.302,312 2.334,313 3.637,314 1.306,315 3.951,316 5.974,317 6.815,318 3.784,319 43,320 5.024,321 5.953,322 4.635,323 4.571,324 6.047,325 1.319,326 2.909,327 59.158,328 147.807,329 1.762,330 215.418,331 10.704,332 10.704,333 5.696,334 5.696,335 196,336 1.782,338 0.073,339 0.755,340 3.695,341 0.136,342 1.702,343 0.88,344 1.405,346 3.815,347 0.088,348 0.212,349 3.539,350 3.933,351 3.933,353 0.238,354 118.306,355 19.55,356 15.666,357 16.799,358 2.011,359 0.138,360 3.59,361 4.609,362 4.588,363 5.879,364 4.654,365 2.37,366 18.68,367 28.382,368 20.65,369 30.624,370 3.247,371 0.024,372 3.247,373 1.992,374 1.907,375 10.094,376 101.879,377 0.19,378 -7.07,379 -6.87,380 -6.36,381 5.843,382 34.142,383 4.092,384 9.354,385 4.214,386 4.214,387 3.85,388 1.197,389 6.117,390 6.328,391 6.688,392 64.425,393 0.802,394 2.44,395 3,396 13,397 17,398 20,399 0.5,400 3.807,401 1.687,402 0.92,403 0.508,404 1.077,405 4.934,406 0.63,407 0.011,408 -0.099,410 1,411 6,412 3,413 18.011,414 18.011,415 0.248,416 3.807,417 7.44,418 7.432,419 3.755,420 3.548,421 1.692,422 1.64,423 1.884,424 1.254,425 1.751,426 1.779,427 13.811,428 510.873,429 542.176,430 205,431 3.873,432 3.271,433 6.435,434 5.214,435 0.733,436 4.196,437 1.684,438 1.684,439 28.507,440 0.336,441 0.537,442 0.897,443 61.098,444 3.852,446 3.497,447 4.195,448 0.425,449 204.535,450 126.009,451 126.009,452 126.009,453 1,454 1.464,455 352.458,456 466.417,457 0.198,458 1.066,459 8.592,460 2.739,461 1.724,462 159.402,463 -0.037,464 1.856,465 4.446,466 4.312,467 16.593,468 20.24,469 16.46,470 23.84,471 1.928,472 3.329,473 3.317,474 159.937,475 1.676,476 1.616,477 1.275,478 8,479 132.857,480 3.87,481 2.443,482 1.847,483 22.75,484 2,485 1.275,486 1,487 1,488 5,489 3,490 3.407,491 3.127,492 4.842,493 5.198,494 6.452,495 7.076,496 8.14,497 8.893,498 9.868,499 10.688,500 11.621,501 12.475,502 13.388,503 14.261,504 16.274,505 3.985,506 -0.09,507 25.966,508 25.966,509 25.966,510 25.966,511 25.966,512 26.336,513 1.56,514 1.56,515 1.672,516 1.945,517 1.885,518 18.962,519 18.326,520 18.962,521 4.169,522 3.105,523 4.143,524 61.776,525 4.602}
{0 CHEMBL458827,3 1.155,4 1.88,5 1.581,6 -0.108,8 6.567,9 6.567,10 17.114,11 6.125,12 3.976,13 6.143,14 71.707,15 46.537,16 59.07,17 5.197,18 2.376,19 1.383,20 1.383,21 3.134,22 16,23 0.335,24 3.867,26 2.083,27 0.642,28 32.9,30 1.909,31 0.129,33 3,35 6.773,36 4.06,37 4.143,38 4.22,39 4.331,40 4.159,41 4.143,42 4,43 3.952,44 3.984,45 3.808,46 2.051,47 2.054,48 4,49 2,50 35.123,51 4.15,52 5.315,53 5.586,54 45.818,55 0.83,56 8.733,57 10.059,58 11.098,59 12.331,60 13.459,61 14.661,62 15.827,63 17.021,64 18.204,65 1.31,66 1.255,67 0.641,68 0.733,69 4.095,70 1.806,71 3.974,72 1.773,73 1.846,74 1.458,75 1.046,76 0.767,77 1.354,78 3.333,79 0.281,80 5.287,81 5.577,82 4.289,83 4.104,84 5.285,85 5.563,86 5.295,87 4.312,88 4.16,89 4.28,90 4.13,91 18.02,92 1.728,93 44.037,94 22.472,95 44.551,96 22.215,97 45.637,98 1.782,99 14.378,100 20.802,101 2.043,102 41.196,103 1.329,104 1.359,105 1.007,106 1.614,107 0.817,108 151.679,109 0.488,110 10.368,111 0.247,112 8.895,113 6.14,114 4.157,115 0.059,117 15.032,118 5.786,120 4.346,121 4.486,122 4.964,123 5.185,124 5.313,125 5.579,126 0.969,127 19.044,128 7.878,129 11.043,130 1.474,131 33.807,132 1.739,133 46.767,134 21.709,135 0.344,136 0.52,137 16,139 10,140 9,141 14.512,142 4.932,143 4.08,144 2.968,147 0.5,148 3.34,149 39.433,150 12.068,151 1.072,152 1.371,153 1.119,154 1.393,155 1.339,156 34,158 2.168,161 474.842,162 -0.164,163 -0.204,164 0.034,165 1.3,170 76,171 76,172 18,173 22,175 45,176 17,177 13.417,178 5.778,179 0.875,180 16.655,181 517.928,182 97.435,183 615.363,184 506.157,185 517.928,186 97.435,187 470.844,189 517.928,190 517.928,191 57.041,192 517.928,193 0.524,194 21,195 27.943,196 18.478,197 13.143,198 719.06,199 75.178,200 86.68,201 0.347,202 0.525,203 0.673,204 3.34,205 45.029,206 5.34,207 1.342,208 1.339,209 3.374,210 3.455,211 3.184,212 3.311,213 3.375,214 3.109,215 3.099,216 0.108,217 3.34,218 1.46,219 2.059,220 1.423,221 2.009,222 1.341,223 1.942,224 1.398,225 1.32,226 1.689,227 0.88,228 1.297,229 1.227,230 1.536,231 1.56,232 17.767,233 10.997,234 41.185,235 102.51,236 209,237 261.179,238 475.73,239 629.037,240 19.871,241 12.563,242 12.294,243 12.689,244 4.007,245 7.909,246 0.142,248 4.5,252 1,253 1,254 3,255 1,257 25.378,258 25.763,259 28.126,260 30.442,261 32.793,262 0.011,263 3.663,264 1.141,265 0.047,266 1.68,267 4.179,269 1.912,270 3.92,271 4.123,272 3.957,273 4.136,274 0.482,275 0.723,276 78,277 35.465,278 1.875,279 6.33,283 0.743,284 5.244,285 0.83,286 21.083,287 23.475,288 0.325,289 6.063,290 6.188,291 5.565,292 5.302,293 14.969,294 14.895,295 22.336,296 3,297 4.979,298 3,299 0.667,300 2,301 1,302 144.519,303 78.319,304 36,305 2,306 1.919,307 3,308 1.842,309 0.846,310 1.581,311 0.84,312 1.751,313 2.899,314 0.739,315 3.611,316 5.666,317 6.466,318 3.555,319 34,320 4.727,321 5.549,322 4.29,323 4.24,324 5.591,325 0.846,326 1.581,327 44.34,328 100.681,329 1.761,330 164.758,331 8.54,332 8.54,333 4.364,334 4.364,335 144,336 1.74,338 0.074,339 0.76,340 3.248,341 0.14,342 0.902,343 0.612,344 1.048,346 3.805,347 0.093,348 0.172,349 3.485,350 3.932,351 3.932,353 0.137,354 94.696,355 18.863,356 14.864,357 16.001,358 1.996,359 0.15,360 3.521,361 4.29,362 4.293,363 5.576,364 4.308,365 1.737,366 14.773,367 22.031,368 14.876,369 22.305,370 2.898,371 0.02,372 2.898,373 1.929,374 1.803,375 6.863,376 47.098,377 0.209,378 -5.87,379 -5.73,380 -5.33,381 4.641,382 21.536,383 4.022,384 8.654,385 4.213,386 4.213,387 3.789,388 1.071,389 5.821,390 5.992,391 6.259,392 43.644,393 0.584,394 1.725,395 2,396 13,397 11,398 10,399 0.67,400 2.902,401 1.342,402 0.523,403 0.519,404 0.966,405 4.761,406 0.75,407 0.002,408 -0.195,410 1,411 5,412 2,413 18.011,414 18.011,415 0.276,416 2.902,417 7.456,418 7.434,419 3.687,420 3.418,421 1.568,422 1.515,423 1.817,424 1.142,425 1.61,426 1.65,427 4.406,428 364.03,429 395.333,430 147,431 3.862,432 3.049,433 5.989,434 5.213,435 0.699,436 3.86,437 1.317,438 1.317,439 17.565,440 0.307,441 0.499,442 0.798,443 60.669,444 3.835,446 3.348,447 3.854,448 0.149,449 150.001,450 85.687,451 85.687,452 85.687,453 1,454 1.425,455 249.279,456 319.574,457 0.208,458 0.91,459 6.301,460 2.351,461 1.345,462 97.197,463 -0.034,464 1.724,465 4.157,466 4.015,467 12.4,468 15.138,469 14.081,470 18.273,471 1.731,472 2.769,473 3.345,474 121.825,475 1.489,476 1.428,477 1.316,478 5,479 100.048,480 3.715,481 2.443,482 1.514,483 17.75,484 2,485 1.316,486 1,487 1,488 3,489 2,490 3.172,491 2.882,492 4.579,493 4.982,494 6.22,495 6.893,496 7.95,497 8.741,498 9.717,499 10.563,500 11.5,501 12.373,502 13.291,503 14.178,504 13.302,505 3.291,506 -0.083,507 21.217,508 21.217,509 21.217,510 21.217,511 21.217,512 21.473,513 0.335,514 0.335,515 1.616,516 1.836,517 1.745,518 15.117,519 14.576,520 15.117,521 3.751,522 2.319,523 3.871,524 28.646,525 5.553}
{0 CHEMBL458828,3 1.178,4 1.88,5 1.578,6 -0.104,8 6.567,9 6.567,10 17.122,11 6.192,12 4.016,13 6.155,14 81.52,15 47.241,16 57.468,17 5.197,18 2.447,19 1.445,20 1.445,21 3.144,22 16,23 0.325,24 3.867,26 2.083,27 0.835,28 32.9,30 1.895,31 0.125,33 3,35 6.824,36 4.111,37 4.159,38 4.248,39 4.357,40 4.205,41 4.205,42 4,43 3.953,44 3.985,45 3.809,46 2.051,47 2.054,48 4,49 2,50 35.123,51 4.179,52 5.33,53 5.597,54 47.808,55 0.83,56 8.879,57 10.171,58 11.207,59 12.421,60 13.54,61 14.73,62 15.887,63 17.073,64 18.249,65 1.335,66 1.255,67 0.65,68 0.738,69 4.099,70 1.778,71 4.004,72 1.812,73 1.846,74 1.463,75 1.067,76 0.768,77 1.433,78 3.304,79 0.277,80 5.322,81 5.609,82 4.318,83 4.138,84 5.313,85 5.591,86 5.336,87 4.347,88 4.198,89 4.346,90 4.193,91 18.705,92 1.788,93 45.847,94 22.898,95 45.694,96 22.983,97 47.308,98 1.837,99 15.349,100 21.009,101 2.026,102 43.931,103 1.373,104 1.368,105 1.008,106 1.619,107 0.853,108 165.389,109 0.484,110 10.686,111 0.245,112 9.306,113 6.292,114 4.228,115 0.058,117 15.094,118 5.744,120 4.382,121 4.523,122 5.003,123 5.226,124 5.354,125 5.617,126 1.008,127 19.83,128 8.218,129 11.531,130 1.532,131 35.119,132 1.85,133 48.702,134 23.049,135 0.333,136 0.533,137 16,139 11,140 11,141 14.931,142 4.999,143 4.188,144 2.915,147 0.5,148 3.34,149 40.733,150 12.419,151 1.083,152 1.403,153 1.081,154 1.397,155 1.321,156 34,158 2.116,161 497.999,162 -0.199,163 -0.21,164 0.025,165 1.3,170 79,171 79,172 18,173 23,175 47,176 17,177 14.333,178 5.993,179 0.876,180 16.595,181 541.471,182 97.435,183 638.905,184 541.471,185 541.471,186 97.435,187 494.386,189 541.471,190 541.471,191 61.746,192 541.471,193 0.534,194 21,195 28.941,196 18.349,197 13.937,198 745.137,199 78.061,200 90.095,201 0.336,202 0.538,203 0.679,204 3.34,205 46.79,206 5.34,207 1.361,208 1.361,209 3.396,210 3.463,211 3.243,212 3.347,213 3.404,214 3.137,215 3.14,216 0.104,217 3.34,218 1.46,219 2.059,220 1.423,221 2.009,222 1.341,223 1.942,224 1.405,225 1.331,226 1.72,227 0.881,228 1.315,229 1.257,230 1.566,231 1.578,232 17.761,233 11.072,234 42.712,235 108.054,236 220,237 270.771,238 493.03,239 652.442,240 20.794,241 12.997,242 12.661,243 13.118,244 4.025,245 8.034,246 0.136,248 4.5,252 1,253 1,254 3,255 1,257 19.087,258 25.763,259 28.126,260 30.443,261 32.793,262 -0.024,263 3.669,264 1.14,265 0.011,266 1.68,267 4.179,269 1.914,270 3.946,271 4.157,272 4.008,273 4.171,274 0.477,275 0.814,276 89,277 37.276,278 1.875,279 6.524,283 0.731,284 5.431,285 0.83,286 21.085,287 23.477,288 0.329,289 6.081,290 6.23,291 5.609,292 5.339,293 15.518,294 15.349,295 22.912,296 3,297 4.979,298 3,299 0.673,300 2,301 1,302 144.519,303 87.145,304 38,305 2,306 1.919,307 3,308 1.847,309 0.854,310 1.612,311 0.846,312 1.758,313 2.964,314 0.741,315 3.664,316 5.707,317 6.512,318 3.584,319 35,320 4.771,321 5.609,322 4.344,323 4.298,324 5.666,325 0.854,326 1.612,327 46.767,328 107.232,329 1.761,330 167.16,331 8.726,332 8.726,333 4.57,334 4.57,335 150,336 1.74,338 0.073,339 0.761,340 3.351,341 0.138,342 1.062,343 0.607,344 1.067,346 3.805,347 0.093,348 0.199,349 3.494,350 3.932,351 3.932,353 0.166,354 96.656,355 18.868,356 14.877,357 16.012,358 1.996,359 0.15,360 3.538,361 4.326,362 4.327,363 5.608,364 4.33,365 1.804,366 15.348,367 22.912,368 15.124,369 22.652,370 2.928,371 0.02,372 2.928,373 1.929,374 1.831,375 6.91,376 47.745,377 0.205,378 -6.08,379 -5.92,380 -5.51,381 4.845,382 23.475,383 4.032,384 8.763,385 4.213,386 4.213,387 3.79,388 1.1,389 5.869,390 6.064,391 6.289,392 44.39,393 0.585,394 1.788,395 2,396 13,397 11,398 12,399 0.5,400 3.266,401 1.342,402 0.538,403 0.516,404 0.964,405 4.789,406 0.75,407 0.003,408 -0.177,410 1,411 5,412 2,413 18.011,414 18.011,415 0.266,416 3.266,417 7.438,418 7.431,419 3.721,420 3.444,421 1.586,422 1.537,423 1.846,424 1.142,425 1.618,426 1.655,427 5.787,428 382.431,429 413.734,430 153,431 3.863,432 3.054,433 6.098,434 5.213,435 0.699,436 3.894,437 1.317,438 1.317,439 19.565,440 0.309,441 0.501,442 0.806,443 60.669,444 3.834,446 3.384,447 3.907,448 0.211,449 156.999,450 88.221,451 88.221,452 88.221,453 1,454 1.431,455 267.68,456 337.975,457 0.208,458 0.973,459 6.366,460 2.351,461 1.345,462 97.778,463 -0.033,464 1.738,465 4.192,466 4.052,467 12.824,468 15.36,469 14.06,470 18.889,471 1.779,472 2.833,473 3.34,474 126.417,475 1.534,476 1.469,477 1.305,478 6,479 103.685,480 3.726,481 2.443,482 1.514,483 18.25,484 2,485 1.305,486 1,487 1,488 3,489 2,490 3.32,491 3.08,492 4.72,493 5.109,494 6.32,495 6.972,496 8.014,497 8.79,498 9.756,499 10.593,500 11.524,501 12.392,502 13.307,503 14.19,504 15.261,505 3.518,506 -0.079,507 21.501,508 21.501,509 21.501,510 21.501,511 21.501,512 21.712,513 0.61,514 0.61,515 1.616,516 1.836,517 1.768,518 15.473,519 14.943,520 15.473,521 3.77,522 2.658,523 3.892,524 26.476,525 6.097}
{0 CHEMBL458972,3 1.356,4 1.878,5 1.501,6 -0.023,8 6.565,9 6.565,10 17.05,11 5.871,12 3.468,13 5.749,14 58.605,15 32.126,16 36.023,17 5.193,18 2.233,19 1.25,20 1.25,21 2.871,22 16,23 0.415,24 3.867,26 2.083,27 0.801,28 32.8,30 1.91,31 0.16,33 1,35 6.303,36 3.689,37 3.784,38 3.664,39 3.638,40 3.526,41 3.466,42 4,43 3.945,44 3.977,45 3.802,46 2.048,47 2.052,48 4,49 1,50 35.102,51 3.848,52 5.029,53 5.326,54 33.977,55 0.67,56 8.462,57 9.797,58 10.872,59 12.118,60 13.275,61 14.493,62 15.68,63 16.888,64 18.087,65 1.316,66 1.253,67 0.672,68 0.733,69 3.875,70 1.807,71 3.558,72 1.375,73 1.844,74 1.624,75 1.157,76 0.732,77 1.222,78 3.367,79 0.282,80 5.177,81 5.484,82 4.177,83 3.955,84 5.167,85 5.471,86 5.127,87 3.994,88 3.789,89 3.924,90 3.718,91 16.524,92 1.56,93 36.56,94 20.098,95 36.634,96 19.517,97 35.346,98 1.299,99 10.508,100 16.941,101 2.288,102 33.885,103 1.355,104 1.345,105 1.003,106 1.484,107 0.733,108 98.741,109 0.487,110 9.092,111 0.274,112 7.938,113 5.533,114 3.714,115 0.07,117 15.08,118 5.293,120 4.207,121 4.354,122 4.835,123 5.067,124 4.965,125 5.26,126 0.842,127 17.058,128 7.319,129 10.236,130 1.315,131 28.847,132 1.213,133 30.148,134 15.526,135 0.291,136 0.458,137 16,139 10,140 9,141 12.077,142 4.916,143 4.293,144 3.277,147 0.5,148 3.338,149 32.4,150 10.915,151 1.227,152 1.437,153 1.21,154 1.437,155 1.389,156 34,158 1.773,161 406.428,162 -0.216,163 -0.217,164 0.007,170 67,171 67,172 18,173 21,175 42,176 16,177 11.783,178 5.317,179 0.857,180 13.342,181 482.615,182 78.828,183 561.443,184 482.615,185 482.615,186 78.828,187 435.531,189 482.615,190 482.615,191 47.744,192 482.615,193 0.525,194 17,195 22.638,196 14.734,197 10.359,198 626.838,199 65.538,200 76.347,201 0.292,202 0.46,203 0.623,204 3.338,205 39.353,206 5.338,207 1.345,208 1.342,209 3.304,210 3.373,211 3.107,212 3.108,213 3.196,214 2.914,215 2.891,216 0.134,217 3.338,218 1.456,219 2.059,220 1.423,221 2.009,222 1.337,223 1.939,224 1.301,225 1.231,226 1.617,227 0.877,228 1.128,229 1.044,230 1.374,231 1.415,232 18.951,233 5.272,234 35.207,235 72.421,236 143,237 223.47,238 400.53,239 537.027,240 16.809,241 11.01,242 10.744,243 11.071,244 3.714,245 7.604,246 0.139,248 1.5,252 1,253 1,254 1,255 1,256 42.683,257 7.191,258 25.731,259 28.098,260 30.418,261 32.771,262 -0.02,263 3.649,264 1.14,265 0.019,266 1.675,267 3.917,269 1.904,270 3.625,271 3.933,272 3.582,273 3.895,274 0.286,275 0.452,276 44,277 22.08,278 1.5,279 6.019,283 0.359,284 4.528,285 0.67,286 21.035,287 23.435,288 0.326,289 5.852,290 5.816,291 5.427,292 5.078,293 13.257,294 11.26,295 16.618,296 2.998,297 4.978,298 2.998,299 0.621,300 2,301 1,302 83.229,303 58.203,304 29,305 2,306 1.68,307 2.542,308 1.337,309 0.345,310 0.617,311 0.341,312 1,313 2.28,315 3.401,316 5.451,317 6.248,318 3.296,319 26,320 4.466,321 5.333,322 4.078,323 4.036,324 5.403,325 0.345,326 0.617,327 34.616,328 81.163,329 1.761,330 118.768,331 6.908,332 6.908,333 3.315,334 3.315,335 116,336 1.737,338 0.07,339 0.73,340 3.247,341 0.143,342 0.742,343 0.347,344 1.405,346 3.8,347 0.095,348 0.167,349 3.362,350 3.931,351 3.931,353 0.139,354 75.082,355 18.798,356 14.785,357 15.929,358 1.995,359 0.168,360 3.498,361 4.147,362 4.101,363 5.373,364 4.051,365 1.446,366 12.566,367 18.529,368 11.947,369 17.608,370 2.381,371 0.005,372 2.381,373 1.929,374 1.776,375 7.258,376 52.671,377 0.189,378 -6.59,379 -6.41,380 -5.95,381 5.361,382 28.737,383 4.029,384 8.481,385 4.21,386 4.21,387 3.783,388 1.071,389 5.557,390 5.784,391 5.702,392 23.861,393 0.446,394 1.517,395 2,396 13,397 11,398 10,399 0.67,400 2.463,401 0.606,402 -0.27,403 0.484,404 0.985,405 4.484,406 0.75,407 -0.011,408 -0.201,411 3,412 1,415 0.254,416 2.463,417 7.433,418 6.449,419 3.604,420 3.387,421 1.55,422 1.485,423 1.743,424 1.139,425 1.537,426 1.564,427 4.452,428 297.615,429 328.918,430 124,431 3.853,432 1.27,433 5.673,434 5.21,435 0.817,436 3.608,437 0.842,438 0.842,439 13.661,440 0.273,441 0.457,442 0.672,443 40.553,444 3.866,446 3.159,447 3.621,448 0.07,449 116.636,450 65.394,451 65.394,452 65.394,453 1,454 1.421,455 186.864,456 253.159,457 0.209,458 0.949,459 4.996,460 1.853,461 0.847,462 35.353,463 -0.008,464 1.612,465 4.055,466 3.882,467 11.513,468 13.681,469 11.329,470 15.594,471 1.721,472 2.457,473 3.403,474 104.312,475 1.403,476 1.326,477 1.151,478 3,479 78.828,480 2.721,481 0.286,482 0.92,483 13.5,484 2,485 1.151,486 1,487 1,488 3,489 1,490 2.402,491 2.243,492 3.841,493 4.269,494 5.486,495 6.158,496 7.208,497 7.992,498 8.963,499 9.802,500 10.734,501 11.599,502 12.512,503 13.391,504 5.458,505 2.919,506 -0.02,507 17.071,508 17.071,509 17.071,510 17.071,511 17.071,512 17.203,513 -0.892,514 -0.892,515 1.616,516 1.834,517 1.654,518 12.185,519 11.929,520 12.185,521 3.371,522 1.918,523 3.611,524 17.65,525 4.602}
{0 CHEMBL473511,3 0.846,4 1.84,5 1.526,6 -0.17,8 6.397,9 6.397,10 17.056,11 6.074,12 3.812,13 6.16,14 88.896,15 43.196,16 122.579,17 5.157,18 2.203,19 1.209,20 1.209,21 3.049,22 15,23 0.344,24 3.831,26 2.073,27 0.895,28 31.1,30 1.831,33 3,35 6.596,36 3.761,37 3.738,38 3.807,39 3.497,40 3.497,41 3.526,43 3.872,44 3.924,45 3.734,46 1.984,47 2.017,49 2,50 34.493,51 3.972,52 5.115,53 5.391,54 44.71,55 0.67,56 9.35,57 10.714,58 11.92,59 13.24,60 14.507,61 15.816,62 17.108,63 18.416,64 19.719,65 1.296,66 1.162,67 0.677,68 0.75,69 4.183,70 1.722,71 3.901,72 1.567,73 1.785,74 1.125,75 0.895,76 0.819,77 1.201,78 3.473,79 0.248,80 5.202,81 5.481,82 4.199,83 4.004,84 5.176,85 5.458,86 5.183,87 4.137,88 3.932,89 4.07,90 3.851,91 16.725,92 1.625,93 44.57,94 19.953,95 43.689,96 19.865,97 45.522,98 1.524,99 13.238,100 19.225,101 1.576,102 38.176,103 1.273,104 1.337,105 0.944,106 1.57,107 0.827,108 252.671,109 0.496,110 9.44,111 0.294,112 9.696,113 5.395,114 3.536,115 0.073,117 18.233,118 6.09,120 4.305,121 4.443,122 4.943,123 5.157,124 5.098,125 5.384,126 0.998,127 22.898,128 8.671,129 10.686,130 1.426,131 36.837,132 1.491,133 40.26,134 17.742,135 0.398,136 0.634,137 14,139 9,140 8,141 13.312,142 4.809,143 3.72,144 2.247,147 0.5,148 3.717,149 38.948,150 11.364,151 0.99,152 1.222,153 1.101,154 1.27,155 1.273,156 29,158 2.489,161 459.5,162 -0.112,163 -0.158,164 -0.003,170 74,171 73,172 15,173 20,175 44,176 16,177 13.426,178 5.17,179 0.872,180 20.013,181 536.974,182 74.33,183 592.258,184 517.928,185 517.928,186 86.065,187 517.928,188 37.998,189 529.664,190 517.928,191 51.86,192 517.928,193 0.527,194 22,195 29.468,196 20.375,197 22.997,198 719.556,199 73.447,200 84.66,201 0.401,202 0.638,203 0.746,204 3.717,205 44.404,206 6.027,207 1.331,208 1.334,209 3.395,210 3.46,211 3.224,212 3.249,213 3.319,214 3.041,215 3.027,216 0.128,217 3.717,218 1.412,219 2.037,220 1.391,221 1.981,222 1.227,223 1.9,224 1.404,225 1.337,226 1.587,227 0.884,228 1.239,229 1.164,230 1.492,231 1.523,232 15.732,233 14.748,234 39.997,235 184.267,236 210,237 260.648,238 471.03,239 627.741,240 20.307,241 11.654,242 11.147,243 13.601,244 3.689,245 8.303,246 0.122,248 4,254 3,256 37.998,257 24.07,258 25.321,259 27.614,260 29.904,261 32.199,262 -0.045,263 3.716,264 1.144,265 -0.029,266 1.656,267 4.198,269 1.885,270 3.875,271 4.003,272 3.945,273 4.001,274 0.797,275 0.826,276 90,277 37.871,278 0.875,279 6.781,283 0.958,284 5.745,285 0.67,286 20.749,287 23.043,288 0.359,289 5.967,290 6.142,291 5.454,292 5.182,293 14.54,294 14.28,295 18.514,296 3.078,297 5.055,298 3.078,299 0.742,302 56.408,303 53.493,304 33,306 1.903,307 2.842,308 1.586,309 0.614,310 1.233,311 0.589,312 1.606,313 2.618,314 0.52,315 3.526,316 5.525,317 6.293,318 3.497,319 32,320 4.654,321 5.434,322 4.205,323 4.151,324 5.545,325 0.614,326 1.233,327 42.093,328 90.749,329 1.727,330 184.214,331 7.036,332 7.257,333 3.558,334 3.749,335 125,336 1.7,338 0.067,339 0.814,340 3.129,341 0.161,342 0.8,343 0.722,344 0.794,346 3.937,347 0.111,348 0.069,349 3.468,350 3.709,351 3.709,353 0.17,354 99.364,355 18.5,356 14.818,357 15.946,358 1.942,359 0.18,360 3.56,361 4.196,362 4.188,363 5.464,364 4.166,365 1.58,366 14.552,367 19.621,368 14.237,369 19.181,370 2.898,371 0.207,372 2.898,373 1.856,374 1.784,375 6.549,376 42.885,377 0.224,378 -6.32,379 -6.15,380 -5.71,381 5.086,382 25.866,383 4.344,384 10.629,385 4.38,386 4.38,387 3.793,388 1.064,389 6.035,390 6.009,391 5.956,392 98.086,393 0.592,394 1.595,395 1,396 13,397 11,398 10,399 0.5,400 2.341,401 1.131,402 0.06,403 0.526,404 0.984,405 4.482,406 0.75,407 -0.099,408 -0.164,411 5,412 3,414 11.736,415 0.301,416 2.341,417 8.235,418 7.432,419 3.638,420 3.444,421 1.567,422 1.51,423 1.74,424 1.12,425 1.606,426 1.639,427 4.576,428 376.215,429 393.235,430 193,431 4.475,432 3.022,433 6.133,434 5.349,435 0.797,436 3.819,437 1.121,438 1.121,439 19.111,440 0.442,441 0.76,442 1.052,443 44.668,444 4.096,446 3.352,447 3.914,448 0.083,449 171.466,450 96.516,451 96.516,452 115.562,453 1,454 1.348,455 293.211,456 342.912,457 0.235,458 0.943,459 5.193,460 2.137,461 1.13,462 102.903,463 -0.06,464 1.615,465 4.1,466 3.948,467 12.801,468 14.711,469 13.247,470 16.898,471 1.702,472 2.327,473 3.54,474 122.153,475 1.494,476 1.445,477 1.4,478 2,480 3.158,481 0.86,482 1.32,483 16.75,485 1.4,488 1,489 1,490 2.527,491 2.243,492 3.864,493 4.269,494 5.49,495 6.158,496 7.209,497 7.992,498 8.963,499 9.802,500 10.734,501 11.599,502 12.512,503 13.391,504 7.178,505 3.253,506 -0.178,507 19.847,508 19.847,509 19.847,510 19.847,511 19.847,512 20.16,513 -0.202,514 -0.202,515 1.613,516 1.808,517 1.722,518 14.386,519 13.041,520 14.877,521 3.752,522 2.31,523 3.611,524 44.657,525 6.796}
{0 CHEMBL484215,3 1.136,4 1.881,5 1.568,6 -0.09,8 6.567,9 6.567,10 17.468,11 6.45,12 4.216,13 6.37,14 109.2,15 59.745,16 70.729,17 5.2,18 2.679,19 1.679,20 1.679,21 3.209,22 18,23 0.289,24 3.877,26 2.083,27 0.816,28 33,30 1.876,31 0.111,33 3,35 7.016,36 4.317,37 4.304,38 4.369,39 4.5,40 4.454,41 4.5,42 4,43 3.964,44 3.997,45 3.818,46 2.053,47 2.055,48 4,49 2,50 35.432,51 4.418,52 5.584,53 5.858,54 59.39,55 0.5,56 9.133,57 10.422,58 11.491,59 12.71,60 13.85,61 15.047,62 16.217,63 17.408,64 18.59,65 1.35,66 1.315,67 0.665,68 0.743,69 4.176,70 1.742,71 4.212,72 2.284,73 1.848,74 1.374,75 1.03,76 0.789,77 1.677,78 3.232,79 0.296,80 5.477,81 5.762,82 4.501,83 4.327,84 5.525,85 5.801,86 5.563,87 4.614,88 4.446,89 4.63,90 4.459,91 21.91,92 2.163,93 53.187,94 27.171,95 56.568,96 27.969,97 59.809,98 2.405,99 20.802,100 23.611,101 2.063,102 55.591,103 1.544,104 1.378,105 1.142,106 1.719,107 0.879,108 222.482,109 0.481,110 12.235,111 0.248,112 10.907,113 7.621,114 4.93,115 0.054,117 15.194,118 5.603,120 4.517,121 4.662,122 5.145,123 5.372,124 5.632,125 5.909,126 1.161,127 22.948,128 9.581,129 13.481,130 1.793,131 40.287,132 2.465,133 62.599,134 31.051,135 0.324,136 0.529,137 17,139 18,140 19,141 16.847,142 5.239,143 4.385,144 3.039,147 0.5,148 3.342,149 45.933,150 14.332,151 1.123,152 1.4,153 1.076,154 1.375,155 1.301,156 42,158 2.123,161 592.209,162 -0.19,163 -0.179,164 0.027,165 1.1,170 91,171 91,172 20,173 27,175 55,176 17,177 17,178 7.021,179 0.87,180 18.249,181 635.64,182 97.435,183 733.074,184 635.64,185 635.64,186 97.435,187 576.784,189 635.64,190 635.64,191 62.174,192 635.64,193 0.54,194 23,195 32.938,196 19.946,197 13.874,198 857.385,199 89.596,200 103.756,201 0.326,202 0.533,203 0.683,204 3.342,205 53.836,206 5.342,207 1.375,208 1.374,209 3.521,210 3.579,211 3.376,212 3.387,213 3.461,214 3.218,215 3.197,216 0.093,217 3.342,218 1.46,219 2.059,220 1.423,221 2.009,222 1.343,223 1.981,224 1.471,225 1.411,226 1.735,227 1.007,228 1.405,229 1.33,230 1.615,231 1.655,232 18.581,233 11.503,234 48.819,235 131.6,236 264,237 309.141,238 562.23,239 746.063,240 23.949,241 14.895,242 14.431,243 15.015,244 4.248,245 8.237,246 0.15,248 4.5,252 1,253 1,254 3,255 1,257 19.087,258 26.141,259 28.486,260 30.786,261 33.119,262 -0.012,263 3.738,264 1.14,265 0.039,266 1.74,267 4.232,269 1.967,270 4.199,271 4.378,272 4.25,273 4.403,274 0.512,275 0.99,276 131,277 42.211,278 2.5,279 6.746,283 0.963,284 5.958,285 0.5,286 21.494,287 23.869,288 0.32,289 6.328,290 6.511,291 5.83,292 5.551,293 18.731,294 20.38,295 30.229,296 3.001,297 4.981,298 3.001,299 0.678,300 3,301 1,302 156.29,303 105.224,304 44,305 2,306 2.354,307 3.488,308 2.241,309 1.258,310 2.519,311 1.229,312 1.985,313 3.284,314 0.909,315 3.807,316 5.861,317 6.683,318 3.689,319 39,320 4.898,321 5.79,322 4.489,323 4.447,324 5.877,325 1.258,326 2.519,327 52.66,328 126.657,329 1.762,330 193.204,331 10.308,332 10.308,333 5.433,334 5.433,335 175,336 1.79,338 0.079,339 0.783,340 3.518,341 0.134,342 1.622,343 0.691,344 1.102,346 3.814,347 0.091,348 0.234,349 3.497,350 3.933,351 3.933,353 0.205,354 107.766,355 19.284,356 15.235,357 16.361,358 2.011,359 0.149,360 3.552,361 4.535,362 4.543,363 5.807,364 4.567,365 2.247,366 18.752,367 27.983,368 19.097,369 28.3,370 3.229,371 0.018,372 3.229,373 1.991,374 1.885,375 8.587,376 73.728,377 0.194,378 -6.86,379 -6.67,380 -6.18,381 5.633,382 31.728,383 4.027,384 8.849,385 4.215,386 4.215,387 3.854,388 1.034,389 5.968,390 6.204,391 6.476,392 48.522,393 0.697,394 2.234,395 3,396 14,397 17,398 18,399 0.5,400 3.774,401 1.427,402 0.756,403 0.505,404 0.98,405 4.837,406 0.63,407 0.008,408 -0.144,410 1,411 5,412 2,413 18.011,414 18.011,415 0.253,416 3.774,417 7.438,418 7.431,419 3.726,420 3.524,421 1.676,422 1.616,423 1.856,424 1.254,425 1.723,426 1.731,427 9.809,428 467.132,429 498.435,430 173,431 3.872,432 3,433 6.256,434 5.215,435 0.703,436 4.102,437 1.445,438 1.445,439 23.863,440 0.332,441 0.532,442 0.885,443 61.098,444 3.802,446 3.39,447 4.042,448 0.306,449 177.332,450 106.3,451 106.3,452 106.3,453 1,454 1.47,455 315.687,456 404.48,457 0.202,458 0.962,459 7.635,460 2.624,461 1.595,462 129.35,463 -0.029,464 1.747,465 4.348,466 4.203,467 15.044,468 18.213,469 15.405,470 21.606,471 1.834,472 3.264,473 3.285,474 144.432,475 1.552,476 1.489,477 1.268,478 6,479 118.077,480 3.866,481 2.443,482 1.688,483 20.25,484 2,485 1.268,486 1,487 1,488 5,489 2,490 3.32,491 3.08,492 4.72,493 5.109,494 6.32,495 6.972,496 8.014,497 8.79,498 9.756,499 10.593,500 11.524,501 12.392,502 13.307,503 14.19,504 15.261,505 3.535,506 -0.069,507 24.079,508 24.079,509 24.079,510 24.079,511 24.079,512 24.284,513 1.43,514 1.43,515 1.671,516 1.928,517 1.777,518 17.332,519 16.816,520 17.332,521 4.087,522 2.659,523 4.078,524 44.126,525 6.367}
{0 CHEMBL484371,3 1.461,4 1.924,5 1.373,6 0.005,7 1.025,8 6.567,9 6.567,10 17.28,11 6.363,12 4.16,13 6.31,14 92.217,15 54.559,16 72.905,17 5.198,18 2.508,19 1.512,20 1.512,21 3.156,22 24,23 0.281,24 3.935,25 9.804,26 2.084,27 0.699,28 35.6,29 1,30 1.965,31 0.278,32 6,33 8,34 6,35 7.885,36 4.901,37 4.773,38 4.892,39 5.066,40 5.032,41 4.886,42 10,43 3.976,44 4.009,45 3.872,46 2.053,47 2.056,48 10,49 3.17,50 35.16,51 4.343,52 5.477,53 5.749,54 54.895,55 0.5,56 9.298,57 10.903,58 11.763,59 13.256,60 14.219,61 15.645,62 16.674,63 18.054,64 19.129,65 1.356,66 1.255,67 0.637,68 0.723,69 4.178,70 1.862,71 4.179,72 2.215,73 1.895,74 1.389,75 1.029,76 0.784,77 1.498,78 2.416,79 0.297,80 5.429,81 5.713,82 4.488,83 4.307,84 5.448,85 5.725,86 5.431,87 4.501,88 4.349,89 4.522,90 4.364,91 21.604,92 2.178,93 50.901,94 27.181,95 52.406,96 26.736,97 52.036,98 2.221,99 18.766,100 23.559,101 1.931,102 49.011,103 1.361,104 1.389,105 1.142,106 1.705,107 0.88,108 140.8,109 0.474,110 12.05,111 0.236,112 10.639,113 7.397,114 5.007,115 0.052,117 15.361,118 5.768,119 0.162,120 4.483,121 4.623,122 5.091,123 5.304,124 5.471,125 5.733,126 1.129,127 21.749,128 9.358,129 12.998,130 1.787,131 38.182,132 2.248,133 54.479,134 27.302,135 0.389,136 0.553,137 17,139 20,140 21,141 16.708,142 5.182,143 3.902,144 2.827,147 0.5,148 3.468,149 43.967,150 13.347,151 1.092,152 1.355,153 1.119,154 1.352,155 1.298,156 34,158 2.541,161 560.536,162 -0.182,163 -0.182,164 0.014,165 1.1,170 87,171 88,172 20,173 23,175 51,176 17,177 15.25,178 6.486,179 0.901,180 15.902,181 576.784,182 72.29,183 649.074,184 576.784,185 576.784,186 72.29,187 506.157,189 576.784,190 576.784,191 60.655,192 576.784,193 0.54,194 22,195 30.677,196 18.661,197 12.514,198 807.658,199 85.501,200 98.716,201 0.394,202 0.561,203 0.7,204 3.468,205 52.859,206 6.468,207 1.382,208 1.381,209 3.504,210 3.575,211 3.33,212 3.37,213 3.453,214 3.211,215 3.186,216 0.094,217 3.468,218 1.46,219 2.06,220 1.423,221 2.026,222 1.341,223 2.008,224 1.507,225 1.446,226 1.735,227 1.007,228 1.399,229 1.322,230 1.607,231 1.649,232 18.564,233 11.441,234 48.051,235 92.756,236 264,237 301.489,238 542.2,239 727.392,240 22.927,241 14.653,242 14.315,243 14.752,244 4.621,245 8.629,246 0.148,247 5,248 9,249 5,250 1,251 5,252 2,253 2,254 8,255 2,256 47.381,257 64.949,258 25.846,259 28.196,260 30.498,261 32.84,262 0.065,263 3.826,264 1.135,265 0.043,266 1.761,267 4.234,269 1.975,270 4.081,271 4.304,272 4.139,273 4.322,274 0.437,275 0.823,276 51,277 36.034,278 2.063,279 6.794,283 0.528,284 5.385,285 0.5,286 21.205,287 23.581,288 0.314,289 6.223,290 6.254,291 5.701,292 5.474,293 18.363,294 18.501,295 27.001,296 3,297 5,298 3,299 0.69,300 4,301 1,302 142.916,303 93.635,304 45,305 4,306 1.933,307 3.494,308 2.26,309 1.283,310 2.65,311 1.246,312 2.349,313 3.292,314 1.322,315 3.829,316 5.889,317 6.703,318 3.761,319 42,320 4.952,321 5.796,322 4.511,323 4.47,324 5.879,325 1.283,326 2.65,327 57.344,328 128.789,329 1.845,330 221.102,331 10.86,332 10.86,333 5.806,334 5.806,335 180,336 1.82,337 158.846,338 0.077,339 0.773,340 3.481,341 0.136,342 1.373,343 0.663,344 1.391,345 1,346 3.878,347 0.089,348 0.203,349 3.512,350 3.932,351 3.932,352 1,353 0.12,354 108.348,355 19.019,356 15.058,357 16.183,358 2.054,359 0.14,360 3.592,361 4.473,362 4.474,363 5.741,364 4.49,365 2.166,366 17.891,367 26.216,368 18.155,369 26.661,370 3.34,371 0.024,372 3.34,373 1.995,374 1.885,375 8.822,376 77.824,377 0.193,378 -7.24,379 -7.03,380 -6.5,381 6.013,382 36.152,383 4.078,384 9.15,385 4.214,386 4.214,387 3.865,388 1.107,389 5.918,390 6.173,391 6.355,392 40.845,393 0.653,394 2.157,395 3,396 14,397 14,398 17,399 0.5,400 3.378,401 1.463,402 0.92,403 0.505,404 0.983,405 4.781,406 0.63,407 -0.003,408 -0.163,409 1,410 1,411 4,412 2,413 32.897,414 32.897,415 0.25,416 3.378,417 7.435,418 7.43,419 3.727,420 3.524,421 1.676,422 1.616,423 1.856,424 1.218,425 1.708,426 1.729,427 4.436,428 439.723,429 471.026,430 179,431 3.889,432 4.198,433 6.524,434 5.214,435 0.756,436 4.069,437 1.441,438 1.441,439 18.911,440 0.223,441 0.361,442 0.587,443 75.984,444 3.874,446 3.477,447 4.038,448 0.219,449 178.091,450 125.687,451 125.687,452 125.687,453 1,454 1.45,455 314.608,456 392.512,457 0.205,458 0.945,459 8.001,460 2.638,461 1.616,462 65.776,463 0.008,464 1.784,465 4.358,466 4.217,467 15.176,468 18.665,469 15.883,470 21.949,471 1.835,472 3.378,473 3.351,474 146.011,475 1.572,476 1.523,477 1.26,478 5,479 115.008,480 3.822,481 2.443,482 1.688,483 20.25,484 2,485 1.26,486 1,487 1,488 4,489 2,490 3.074,491 2.882,492 4.551,493 4.982,494 6.212,495 6.892,496 7.947,497 8.739,498 9.714,499 10.561,500 11.497,501 12.37,502 13.288,503 14.175,504 11.207,505 3.799,506 -0.014,507 24.57,508 24.57,509 24.57,510 24.57,511 24.57,512 24.777,513 1.557,514 1.557,515 1.679,516 1.929,517 1.79,518 17.545,519 17.138,520 17.545,521 4.017,522 3.059,523 4.353,524 65.032,525 4.602}
{0 CHEMBL484392,3 1.093,4 1.88,5 1.592,6 -0.144,8 6.567,9 6.567,10 17.532,11 6.168,12 4.13,13 6.23,14 68.248,15 52.946,16 55.731,17 5.201,18 2.449,19 1.448,20 1.448,21 3.138,22 16,23 0.297,24 3.914,26 2.083,27 0.619,28 33.7,30 1.963,31 0.265,33 3,35 7.183,36 4.331,37 4.407,38 4.454,39 4.615,40 4.543,41 4.625,42 9,43 3.969,44 4.005,45 3.82,46 2.051,47 2.054,48 9,49 2,50 35.542,51 4.275,52 5.446,53 5.713,54 49.008,55 0.67,56 9.069,57 10.385,58 11.457,59 12.69,60 13.835,61 15.04,62 16.215,63 17.411,64 18.598,65 1.349,66 1.255,67 0.641,68 0.723,69 4.174,70 1.855,71 4.095,72 1.992,73 1.846,74 1.383,75 1.006,76 0.783,77 1.435,78 2.575,79 0.307,80 5.415,81 5.702,82 4.439,83 4.261,84 5.423,85 5.695,86 5.398,87 4.487,88 4.33,89 4.486,90 4.332,91 20.491,92 2.042,93 50.278,94 25.936,95 51.743,96 24.969,97 51.23,98 2.131,99 17.964,100 23.034,101 1.919,102 47.931,103 1.41,104 1.403,105 1.142,106 1.697,107 0.975,108 138.019,109 0.474,110 11.575,111 0.241,112 10.344,113 7.497,114 5.215,115 0.053,117 15.088,118 5.78,120 4.442,121 4.58,122 5.081,123 5.3,124 5.493,125 5.763,126 1.081,127 20.977,128 8.767,129 12.285,130 1.717,131 38.103,132 2.152,133 55.68,134 26.74,135 0.324,136 0.519,137 18,139 14,140 13,141 16.524,142 5.076,143 4.288,144 3.032,147 0.5,148 3.342,149 42.733,150 13.483,151 1.058,152 1.368,153 1.11,154 1.346,155 1.298,156 34,158 2.087,161 529.128,162 -0.155,163 -0.17,164 0.024,165 1.2,170 83,171 84,172 21,173 25,175 49,176 19,177 14.7,178 6.428,179 0.887,180 14.877,181 576.784,182 97.435,183 674.219,184 565.013,185 576.784,186 97.435,187 482.615,189 576.784,190 576.784,191 62.11,192 576.784,193 0.538,194 20,195 29.142,196 17.357,197 10.604,198 768.099,199 81.945,200 94.51,201 0.327,202 0.524,203 0.699,204 3.342,205 49.552,206 5.342,207 1.386,208 1.382,209 3.383,210 3.46,211 3.205,212 3.325,213 3.385,214 3.121,215 3.115,216 0.095,217 3.342,218 1.46,219 2.059,220 1.423,221 2.009,222 1.341,223 1.942,224 1.517,225 1.452,226 1.728,227 1.009,228 1.401,229 1.323,230 1.609,231 1.651,232 20.144,233 11.424,234 45.239,235 84.518,236 242,237 282.563,238 515.27,239 681.213,240 21.81,241 14.091,242 13.803,243 14.222,244 4.317,245 8.186,246 0.159,248 4.5,252 2,253 2,254 3,255 2,257 25.378,258 26.235,259 28.583,260 30.889,261 33.225,262 0.014,263 3.781,264 1.139,265 0.056,266 1.682,267 4.211,268 123.842,269 1.913,270 4.103,271 4.257,272 4.055,273 4.234,274 0.512,275 0.719,276 56,277 40.028,278 2.25,279 6.635,280 1,281 2.398,282 4.595,283 0.93,284 5.148,285 0.67,286 21.579,287 23.955,288 0.307,289 6.265,290 6.337,291 5.659,292 5.363,293 16.931,294 17.937,295 26.498,296 3.001,297 4.98,298 3.001,299 0.692,300 6,301 4,302 191.603,303 68.502,304 43,306 2.336,307 3.403,308 2.228,309 1.236,310 2.497,311 1.219,312 1.904,313 3.288,314 0.884,315 3.784,316 5.855,317 6.683,318 3.664,319 38,320 4.875,321 5.771,322 4.466,323 4.409,324 5.827,325 1.236,326 2.497,327 51.145,328 124.557,329 1.761,330 173.237,331 10.432,332 10.432,333 5.327,334 5.327,335 174,336 1.741,338 0.075,339 0.775,340 3.559,341 0.133,342 1.277,343 0.616,344 0.995,346 3.816,347 0.087,348 0.212,349 3.498,350 3.933,351 3.933,353 0.124,354 103.67,355 19.355,356 15.292,357 16.422,358 1.996,359 0.141,360 3.554,361 4.406,362 4.378,363 5.627,364 4.427,365 1.909,366 16.084,367 23.734,368 16.724,369 24.654,370 3.241,371 0.04,372 3.241,373 1.929,374 1.819,375 7.558,376 57.129,377 0.202,378 -6.47,379 -6.3,380 -5.85,381 5.245,382 27.505,383 4.017,384 8.71,385 4.215,386 4.215,387 3.865,388 1.03,389 5.892,390 6.104,391 6.372,392 41.97,393 0.675,394 1.968,395 3,396 13,397 14,398 13,399 0.5,400 3.292,401 1.343,402 0.92,403 0.515,404 0.978,405 4.97,406 0.63,407 0.017,408 -0.16,410 1,411 5,412 2,413 3.124,414 3.124,415 0.238,416 3.292,417 7.454,418 7.434,419 3.727,420 3.524,421 1.618,422 1.574,423 1.826,424 1.214,425 1.725,426 1.752,427 4.424,428 414.316,429 445.618,430 161,431 3.878,432 3.117,433 6.201,434 5.215,435 0.679,436 4.037,437 1.318,438 1.318,439 18.416,440 0.229,441 0.368,442 0.604,443 50.852,444 3.802,445 6.581,446 3.383,447 4.013,448 0.209,449 173.028,450 90.756,451 90.756,452 90.756,453 1,454 1.468,455 277.447,456 369.86,457 0.197,458 0.913,459 8.084,460 2.521,461 1.419,462 119.941,463 -0.027,464 1.76,465 4.3,466 4.165,467 14.072,468 17.51,469 14.962,470 21.078,471 1.832,472 3.247,473 3.294,474 133.932,475 1.55,476 1.483,477 1.299,478 7,479 106.3,480 3.876,481 2.443,482 1.688,483 20,484 2,485 1.299,486 1,487 1,488 4,489 2,490 3.199,491 2.903,492 4.591,493 4.989,494 6.225,495 6.896,496 7.953,497 8.744,498 9.72,499 10.566,500 11.503,501 12.376,502 13.295,503 14.182,504 14.083,505 3.517,506 -0.082,507 23.372,508 23.372,509 23.372,510 23.372,511 23.372,512 23.684,513 1.432,514 1.432,515 1.616,516 1.858,517 1.779,518 16.6,519 16.047,520 16.6,521 4.11,522 2.55,523 4.127,524 31.77,525 5.959}
{0 CHEMBL484393,3 1.095,4 1.88,5 1.521,6 -0.074,8 6.567,9 6.567,10 17.348,11 6.16,12 4.086,13 6.204,14 69.977,15 51.013,16 57.673,17 5.199,18 2.455,19 1.455,20 1.455,21 3.139,22 16,23 0.306,24 3.893,26 2.083,27 0.784,28 33.8,30 1.962,31 0.273,33 3,35 7.111,36 4.317,37 4.394,38 4.394,39 4.554,40 4.5,41 4.543,42 9,43 3.964,44 3.997,45 3.817,46 2.051,47 2.054,48 9,49 2,50 35.208,51 4.24,52 5.408,53 5.678,54 48.293,55 0.67,56 9.105,57 10.406,58 11.469,59 12.691,60 13.827,61 15.023,62 16.189,63 17.378,64 18.557,65 1.366,66 1.255,67 0.639,68 0.724,69 4.157,70 1.85,71 4.058,72 1.939,73 1.846,74 1.41,75 1.019,76 0.777,77 1.439,78 2.555,79 0.298,80 5.381,81 5.668,82 4.376,83 4.2,84 5.351,85 5.625,86 5.322,87 4.43,88 4.276,89 4.412,90 4.264,91 19.843,92 1.927,93 48.904,94 24.49,95 48.122,96 23.237,97 47.241,98 2.021,99 16.595,100 22.034,101 1.966,102 45.926,103 1.392,104 1.395,105 1.14,106 1.619,107 0.879,108 132.728,109 0.472,110 11.191,111 0.238,112 10.002,113 7.075,114 4.841,115 0.052,117 15.061,118 5.822,120 4.407,121 4.545,122 5.043,123 5.257,124 5.422,125 5.687,126 1.042,127 20.165,128 8.497,129 11.835,130 1.647,131 36.641,132 1.998,133 52.277,134 24.712,135 0.331,136 0.523,137 18,139 14,140 13,141 15.967,142 5.013,143 4.204,144 2.982,147 0.5,148 3.341,149 41.433,150 13.098,151 1.055,152 1.426,153 1.078,154 1.403,155 1.326,156 34,158 2.118,161 505.754,162 -0.219,163 -0.211,164 0.017,165 1.3,170 80,171 81,172 21,173 24,175 47,176 18,177 14.167,178 6.201,179 0.89,180 14.093,181 541.471,182 97.435,183 638.905,184 541.471,185 541.471,186 97.435,187 470.844,189 541.471,190 541.471,191 64.709,192 541.471,193 0.542,194 20,195 28.148,196 16.522,197 10.799,198 739.275,199 79.061,200 91.095,201 0.335,202 0.528,203 0.689,204 3.341,205 47.79,206 5.341,207 1.392,208 1.392,209 3.383,210 3.46,211 3.213,212 3.326,213 3.384,214 3.12,215 3.116,216 0.098,217 3.341,218 1.46,219 2.059,220 1.423,221 2.009,222 1.341,223 1.942,224 1.428,225 1.383,226 1.721,227 1.007,228 1.392,229 1.318,230 1.607,231 1.642,232 18.858,233 11.298,234 43.712,235 80.539,236 231,237 272.97,238 497.97,239 657.807,240 21.079,241 13.631,242 13.356,243 13.75,244 4.248,245 8.217,246 0.15,248 4.5,252 2,253 2,254 3,255 2,257 19.087,258 25.91,259 28.256,260 30.555,261 32.891,262 -0.003,263 3.774,264 1.139,265 0.038,266 1.682,267 4.184,268 120.242,269 1.912,270 4.001,271 4.181,272 4.019,273 4.191,274 0.469,275 0.722,276 51,277 39.995,278 2.097,279 6.698,280 1,281 2.398,282 4.595,283 0.771,284 5.05,285 0.67,286 21.274,287 23.646,288 0.312,289 6.165,290 6.219,291 5.586,292 5.349,293 15.759,294 16.974,295 25.165,296 3,297 4.98,298 3,299 0.681,300 4,301 4,302 168.061,303 81.283,304 42,305 2,306 2.091,307 3.302,308 2.102,309 1.09,310 2.419,311 1.088,312 1.859,313 3.262,314 0.847,315 3.761,316 5.82,317 6.645,318 3.638,319 37,320 4.852,321 5.74,322 4.443,323 4.399,324 5.822,325 1.09,326 2.419,327 50.497,328 121.426,329 1.761,330 169.429,331 9.999,332 9.999,333 5.163,334 5.163,335 168,336 1.741,338 0.075,339 0.768,340 3.571,341 0.132,342 1.232,343 0.616,344 0.995,346 3.812,347 0.088,348 0.225,349 3.499,350 3.933,351 3.933,353 0.128,354 100.045,355 19.08,356 15.121,357 16.246,358 1.996,359 0.142,360 3.554,361 4.335,362 4.341,363 5.616,364 4.395,365 1.831,366 15.525,367 22.883,368 16.283,369 24.086,370 3.204,371 0.033,372 3.204,373 1.929,374 1.813,375 7.194,376 51.752,377 0.205,378 -6.28,379 -6.11,380 -5.68,381 5.046,382 25.465,383 4.017,384 8.682,385 4.214,386 4.214,387 3.863,388 1.063,389 5.886,390 6.119,391 6.329,392 41.606,393 0.677,394 1.829,395 3,396 13,397 14,398 13,399 0.5,400 3.334,401 1.342,402 0.751,403 0.518,404 0.968,405 4.923,406 0.63,407 0.003,408 -0.179,410 1,411 5,412 2,413 18.011,414 18.011,415 0.247,416 3.334,417 7.438,418 7.431,419 3.727,420 3.524,421 1.611,422 1.566,423 1.809,424 1.175,425 1.695,426 1.673,427 4.418,428 392.942,429 424.244,430 156,431 3.875,432 2.947,433 6.225,434 5.214,435 0.691,436 3.98,437 1.32,438 1.32,439 18.11,440 0.225,441 0.364,442 0.591,443 63.632,444 3.816,445 6.555,446 3.386,447 3.993,448 0.209,449 169.332,450 82.359,451 82.359,452 82.359,453 1,454 1.467,455 267.217,456 348.485,457 0.2,458 0.94,459 7.548,460 2.445,461 1.366,462 99.262,463 -0.01,464 1.726,465 4.265,466 4.131,467 13.712,468 16.466,469 14.42,470 20.417,471 1.819,472 3.09,473 3.314,474 128.982,475 1.542,476 1.478,477 1.309,478 6,479 104.135,480 3.863,481 2.443,482 1.688,483 19.25,484 2,485 1.309,486 1,487 1,488 4,489 2,490 3.32,491 3.08,492 4.72,493 5.109,494 6.32,495 6.972,496 8.014,497 8.79,498 9.756,499 10.593,500 11.524,501 12.392,502 13.307,503 14.19,504 15.261,505 3.603,506 -0.051,507 22.449,508 22.449,509 22.449,510 22.449,511 22.449,512 22.666,513 1.434,514 1.434,515 1.616,516 1.842,517 1.761,518 16.045,519 15.54,520 16.045,521 4.04,522 2.743,523 4.078,524 17.65,525 7}
{0 CHEMBL485841,1 1.008,2 11.823,3 0.837,4 1.998,5 1.135,6 0.042,7 3.933,8 6.309,9 6.309,10 16.858,11 5.241,12 3.096,13 4.965,14 28.218,15 10.632,16 12.764,17 4.938,18 2,19 1,20 1,21 2.687,22 18,23 0.374,24 3.945,25 18.417,26 2.099,27 0.773,28 42.5,29 3,30 2.067,31 0.739,32 17,33 18,34 13,35 9.957,36 5.678,37 5.862,38 6.251,39 6.6,40 6.954,41 7.341,42 17,43 4.024,44 4.061,45 3.963,46 2.06,47 2.074,48 17,49 4.248,50 34.036,51 3.33,52 3.95,53 4.161,54 15.33,55 1,56 10.216,57 11.889,58 12.952,59 14.485,60 15.669,61 17.125,62 18.38,63 19.793,64 21.09,65 1.453,66 0.704,67 0.567,68 0.706,69 3.674,70 1.944,71 3.227,72 0.825,73 1.976,74 0.888,75 0.888,76 0.833,77 1,78 0.973,79 0.333,80 4.43,81 4.617,82 3.777,83 3.707,84 4.549,85 4.793,86 4.355,87 3.243,88 3.158,89 3.211,90 3.135,91 7.263,92 1.055,93 16.605,94 9.158,95 21.702,96 9.507,97 17.015,98 0.626,99 4.475,100 13.426,101 1.107,102 14.722,103 0.64,104 1.513,105 0.218,106 1.181,107 0.197,108 31.744,109 0.445,110 5.839,111 0.159,112 5.412,113 3.432,114 2.202,115 0.024,116 1,117 10.913,118 7.685,119 0.68,120 3.792,121 3.922,122 4.275,123 4.462,124 4.053,125 4.312,126 0.638,127 7.567,128 3.378,129 4.429,130 0.965,131 14.152,132 0.641,133 13.371,134 6.451,135 0.562,136 0.651,137 1,138 3,139 1,141 9.204,142 3.765,143 2.126,144 1.62,145 1,146 1,147 1,148 3.918,149 23.967,150 4.462,151 0.724,152 0.813,153 0.779,154 0.823,155 0.83,157 1,158 3.195,159 1,160 1,161 212.877,162 0.298,163 0.146,164 -0.209,165 12.5,166 1,167 3,168 3,169 1,170 40,171 42,172 1,173 3,174 1,175 17,176 1,177 7.917,178 2.241,179 0.974,180 4.379,181 200.109,182 25.145,183 225.254,184 200.109,185 200.109,186 25.145,187 202.437,188 49.867,189 200.109,190 200.109,191 18.695,192 200.109,193 0.579,194 3,195 15.229,196 6.613,197 3.567,198 400.673,199 40.138,200 45.192,201 0.6,202 0.696,203 0.792,204 3.918,205 27.051,206 6.918,207 1.486,208 1.482,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.656,215 2.665,216 0.157,217 3.918,218 1.23,219 1.925,220 1.033,221 1.897,222 0.846,223 1.85,224 0.898,225 0.821,226 1.181,227 0.218,228 0.886,229 0.821,230 1.062,231 1.107,232 0.537,234 25.983,235 37.164,236 77,237 163.281,238 272.91,239 390.166,240 13.048,241 7.169,242 6.925,243 7.282,244 5.234,245 9.367,246 0.166,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 115.912,258 25.166,259 27.41,260 29.6,261 31.83,262 0.15,263 3.853,264 1.13,265 -0.092,266 1.489,267 3.68,268 70.356,269 1.869,270 3.592,271 3.618,272 3.458,273 3.501,274 0.292,275 0.234,276 12,277 15.952,278 1.285,279 7.427,280 1,281 2.398,282 4.595,283 0.212,284 3.082,285 1,286 20.733,287 23.008,288 0.293,289 5.659,290 5.392,291 4.601,292 4.238,293 6.715,294 4.068,295 5.689,296 2.884,297 4.884,298 2.884,299 0.741,302 25.145,303 7.313,304 34,306 1.856,307 3.119,308 1.531,309 0.508,310 1.208,311 0.513,312 1.321,313 2.785,314 0.014,315 3.555,316 5.609,317 6.463,318 3.57,319 34.5,320 4.773,321 5.58,322 4.234,323 4.193,324 5.698,325 0.508,326 1.208,327 50.236,328 102.864,329 1.755,330 127.818,331 8.252,332 8.252,333 4.796,334 4.796,335 136,336 1.564,337 162.256,338 0.085,339 0.78,340 4.115,341 0.122,342 0.738,343 0.072,344 0.739,345 3,346 3.968,347 0.08,348 0.305,349 2.995,350 3.741,351 3.741,352 2,353 0.123,354 69.999,355 18.643,356 14.727,357 15.809,358 1.796,359 0.08,360 3.4,361 3.694,362 3.573,363 4.481,364 3.418,365 0.964,366 5.108,367 7.609,368 4.518,369 6.53,370 3.853,371 0.078,372 3.853,373 1.539,374 1.455,375 3.044,376 9.268,377 0.274,378 -4.72,379 -4.64,380 -4.36,381 3.494,382 12.209,383 3.59,384 6.473,385 4.305,386 4.305,387 3.778,388 0.74,389 5.397,390 5.606,391 5.094,392 15.946,393 0.377,394 1.085,396 11,397 6,398 3,399 1,400 2.275,401 0.748,402 -0.6,403 0.599,404 1.18,405 4.089,406 1,407 0.238,408 0.1,409 4,410 5,411 1,413 54.645,414 54.645,415 0.071,416 2.275,417 7.429,418 5.159,419 3.181,420 2.944,421 1.111,422 1.015,423 1.513,424 0.469,425 1.065,426 1.107,427 3.293,428 177.367,429 177.367,430 90,431 3.974,432 6.669,433 6.973,434 5.085,435 0.506,436 3.7,437 1,438 1,439 10.745,440 0.204,441 0.327,442 0.536,443 5.659,444 3.43,445 6.581,446 2.746,447 3.715,448 0.106,449 130.205,450 120.774,451 120.774,452 120.774,454 1.517,455 148.083,456 168.612,457 0.192,458 0.988,459 6.322,460 2.5,461 1.5,462 29.267,463 -0.035,464 1.239,465 3.681,466 3.648,467 5.246,468 6.691,469 9.226,470 12.584,471 1.212,472 1.421,473 2.935,474 89.533,475 0.934,476 0.849,477 1.557,478 2,480 3.004,481 0.68,482 1,483 14.25,485 1.557,490 1.952,491 1.305,492 2.483,493 2.419,494 3.308,495 3.517,496 4.245,497 4.595,498 5.23,499 5.656,500 6.239,501 6.706,502 7.26,503 7.75,504 5.77,505 3.864,506 -0.062,507 15.499,508 15.499,509 15.499,510 15.499,511 15.499,512 15.703,513 -2,514 -2,515 1.309,516 1.417,517 1.308,518 11.131,519 10.677,520 11.131,521 4.236,522 3.317,523 4.708,524 106.857,525 6.292}
{0 CHEMBL486037,1 1.009,2 10.763,3 0.749,4 1.906,5 1.16,6 0.038,7 1.678,8 6.569,9 6.569,10 17.257,11 5.571,12 3.698,13 5.477,14 63.435,15 32.2,16 61.126,17 5.046,18 2.148,19 1.164,20 1.164,21 2.694,22 3,23 0.41,24 3.938,25 4.68,26 1.952,27 0.839,28 33.3,29 1,30 1.925,31 0.458,32 11,33 15,34 7,35 8.953,36 5.457,37 5.623,38 5.865,39 5.903,40 5.791,41 6.135,42 11,43 3.968,44 4.021,45 3.892,46 1.997,47 1.992,48 11,49 4,50 35.084,51 3.305,52 4.066,53 4.31,54 16.412,55 0.67,56 10.397,57 11.988,58 13.174,59 14.657,60 15.936,61 17.368,62 18.696,63 20.103,64 21.455,65 1.375,66 0.469,67 0.62,68 0.737,69 4.002,70 1.756,71 3.716,72 0.72,73 1.887,74 0.542,75 0.542,76 0.895,77 1.077,78 1.289,79 0.343,80 4.316,81 4.474,82 3.738,83 3.655,84 4.493,85 4.704,86 4.26,87 3.273,88 3.183,89 3.161,90 3.147,91 4.819,92 0.965,93 14.984,94 5.917,95 25.17,96 5.568,97 20.615,98 0.626,99 3.168,100 13.735,101 0.542,102 18.753,103 0.781,104 1.512,105 0.191,106 0.907,108 56.985,109 0.457,110 5.229,111 0.173,112 5.898,113 3.745,114 2.339,115 0.026,117 10.875,118 12.256,119 0.44,120 3.721,121 3.853,122 4.169,123 4.353,124 3.909,125 4.108,126 0.623,127 0.693,128 2.758,129 2.704,130 0.876,131 8.1,132 0.585,133 9.556,134 3.127,135 0.745,136 0.812,138 3,141 9.261,142 3.238,143 1.042,144 0.674,145 1,146 1,147 1,148 3.996,149 25.29,150 4.956,151 0.475,152 0.766,153 0.585,154 0.54,155 0.621,157 1,158 4.128,159 1,160 1,161 186.117,162 0.299,163 0.169,164 -0.183,165 25,166 1,167 3,168 3,169 1,170 36,171 37,173 3,174 1,175 12,176 1,177 7.343,178 1.863,179 0.934,180 6.089,181 129.482,182 50.29,183 179.772,184 264.85,185 129.482,186 50.29,187 260.1285,188 49.744,189 129.482,190 129.482,191 21.016,192 129.482,193 0.577,194 4,195 18.136,196 8.058,197 4.424,198 438.975,199 37.407,200 41.455,201 0.798,202 0.87,203 0.895,204 3.996,205 26.142,206 6.996,207 1.483,208 1.469,209 2.874,210 2.923,211 2.766,212 2.858,213 2.904,214 2.604,215 2.57,216 0.16,217 3.996,218 1.101,219 1.809,220 0.917,221 1.879,222 0.82,223 1.719,224 0.882,225 0.804,226 1.058,227 0.076,228 0.866,229 0.775,230 1.012,231 1.045,232 -0.014,234 24.993,235 48.632,236 96,237 171.471,238 287.74,239 410.15,240 14.883,241 6.466,242 6.227,243 7.661,244 5.131,245 9.399,246 0.171,247 3,248 15.5,249 3,250 1,251 3,252 2,253 2,254 9,255 2,256 47.381,257 76.34,258 25.879,259 28.199,260 30.476,261 32.789,262 -0.008,263 3.918,264 1.152,265 -0.03,266 1.374,267 4.162,268 78.827,269 1.731,270 4.305,271 3.597,272 4.292,273 3.473,274 0.457,275 0.524,276 45,277 29.833,278 1.563,279 7.576,280 1,281 2.398,282 4.595,283 0.554,284 3.937,285 0.83,286 21.293,287 23.635,288 0.297,289 5.911,290 5.702,291 4.45,292 4.21,293 7.176,294 5.654,295 5.289,296 2.897,297 4.897,298 2.897,299 0.836,302 50.29,303 43.307,304 34,305 1,306 1.952,307 2.934,308 1.33,309 0.36,310 0.793,311 0.342,312 1.52,313 2.365,314 0.048,315 3.555,316 5.609,317 6.466,318 3.57,319 34.5,320 4.785,321 5.602,322 4.234,323 4.121,324 5.611,325 0.36,326 0.793,327 49.137,328 103.616,329 1.565,330 148.608,331 8.289,332 9.35,333 4.436,334 5.355,335 136,336 1.453,337 86.914,338 0.086,339 0.836,340 4.145,341 0.123,342 1.378,343 0.526,344 0.511,345 3,346 4.035,347 0.082,348 0.319,349 3.374,350 3.768,351 3.768,352 1,353 0.311,354 87.886,355 19.116,356 15.069,357 16.171,358 1.679,359 0.087,360 3.457,361 3.67,362 3.531,363 4.429,364 3.386,365 0.831,366 5.496,367 4.379,368 5.197,369 4.982,370 3.976,372 3.976,373 1.417,374 1.368,375 3.467,376 12.021,377 0.349,378 -3.11,379 -3.1,380 -2.99,381 1.879,382 3.529,383 3.567,384 6.379,385 4.39,386 4.39,387 3.628,388 0.742,389 5.479,390 5.697,391 5.44,392 30.021,393 0.865,394 0.933,396 1,399 0.83,400 2.538,401 0.902,402 -0.479,403 0.703,404 1.146,405 4.418,406 0.88,407 0.116,408 0.255,409 4,410 9,411 2,413 136.183,414 136.183,415 0.108,416 2.538,417 7.431,418 7.427,419 3.321,420 3.068,421 1.016,422 0.919,423 1.451,424 0.23,425 1.239,426 1.198,427 3.138,428 166.608,429 166.608,430 93,431 10.695,432 6.479,433 6.961,434 5.275,435 0.582,436 4.33,437 1.024,438 1.024,439 15.346,440 0.26,441 0.414,442 0.698,443 31.897,444 3.41,445 6.581,446 3.144,447 4.115,448 0.127,449 286.241,450 66.238,451 66.238,452 66.238,454 1.564,455 161.853,456 166.608,457 0.193,458 1.019,459 7.094,460 2.538,461 1.542,462 56.11,463 -0.058,464 1.286,465 3.592,466 3.546,467 4.788,468 6.69,469 9.304,470 11.829,471 1.128,472 1.385,473 2.928,474 101.909,475 0.934,476 0.839,477 1.932,478 2,480 3.567,481 1.081,482 1.084,483 15.25,485 1.932,490 2.187,491 1.305,492 2.666,493 2.419,494 3.413,495 3.517,496 4.296,497 4.595,498 5.253,499 5.656,500 6.249,501 6.706,502 7.264,503 7.75,504 7.517,505 3.899,506 -0.015,507 15.767,508 15.767,509 15.767,510 15.767,511 15.767,512 16.221,513 -1.935,514 -1.935,515 1.141,516 1.254,517 1.308,518 11.435,519 9.968,520 12.301,521 4.318,522 3.277,523 4.65,524 106.904,525 6.886}
{0 CHEMBL486039,1 1.09,2 10.934,3 0.833,4 1.93,5 1.446,6 -0.068,7 1.704,8 6.568,9 6.568,10 16.857,11 5.755,12 3.431,13 5.678,14 58.476,15 26.348,16 69.069,17 5.035,18 2.202,19 1.218,20 1.218,21 2.743,22 14,23 0.366,24 3.959,25 10.5,26 2.086,27 0.881,28 34.5,29 1,30 1.975,31 0.407,32 11,33 13,34 7,35 8.373,36 5.067,37 4.962,38 4.969,39 4.917,40 4.783,41 4.961,42 11,43 3.951,44 4.015,45 3.863,46 2.021,47 2.045,48 11,49 3.807,50 34.913,51 3.668,52 4.699,53 4.995,54 28.377,55 1,56 9.937,57 11.556,58 12.662,59 14.161,60 15.385,61 16.825,62 18.115,63 19.524,64 20.852,65 1.393,66 0.921,67 0.596,68 0.722,69 3.882,70 1.862,71 3.542,72 1.141,73 1.898,74 0.827,75 0.755,76 0.857,77 1.196,78 0.936,79 0.31,80 4.853,81 5.106,82 3.977,83 3.861,84 4.937,85 5.214,86 4.801,87 3.7,88 3.557,89 3.633,90 3.506,91 11.648,92 1.318,93 29.837,94 14.751,95 33.805,96 14.361,97 28.842,98 1.015,99 6.629,100 16.545,101 1.087,102 24.035,103 0.89,104 1.447,105 0.758,106 1.256,107 0.456,108 66.328,109 0.467,110 7.576,111 0.192,112 6.714,113 4.254,114 2.71,115 0.037,117 14.37,118 6.773,119 0.393,120 4.069,121 4.218,122 4.617,123 4.838,124 4.579,125 4.853,126 0.821,127 12.651,128 4.722,129 6.96,130 1.2,131 23.142,132 0.931,133 23.053,134 10.61,135 0.544,136 0.705,137 7,138 3,139 5,140 3,141 11.337,142 4.233,143 2.526,144 1.561,145 1,146 1,147 1,148 3.989,149 31.233,150 7.254,151 0.872,152 1.066,153 0.914,154 1.113,155 1.079,156 12,157 1,158 3.255,159 1,160 1,161 317.975,162 0.106,163 -0.031,164 -0.077,165 10.9,166 1,167 3,168 3,169 1,170 55,171 56,172 7,173 10,174 1,175 28,176 8,177 10.25,178 3.477,179 0.919,180 8.927,181 317.82,182 50.29,183 368.11,184 317.82,185 317.82,186 50.29,187 317.82,188 49.744,189 317.82,190 317.82,191 34.341,192 317.82,193 0.557,194 10,195 21.045,196 11.453,197 7.476,198 539.281,199 54.985,200 62.976,201 0.563,202 0.73,203 0.812,204 3.989,205 34.319,206 6.989,207 1.423,208 1.422,209 3.07,210 3.165,211 2.876,212 2.877,213 3.009,214 2.735,215 2.715,216 0.142,217 3.989,218 1.405,219 1.994,220 1.227,221 1.957,222 1.031,223 1.884,224 1.028,225 0.94,226 1.417,227 0.469,228 0.934,229 0.837,230 1.239,231 1.308,232 7.121,234 32.353,235 59.196,236 127,237 206.505,238 355.84,239 495.631,240 16.096,241 9.225,242 8.971,243 9.372,244 4.863,245 9.051,246 0.153,247 5,248 13,249 5,250 1,251 5,252 2,253 2,254 9,255 2,256 47.381,257 76.34,258 25.614,259 27.957,260 30.262,261 32.596,262 0.045,263 3.842,264 1.145,265 0.023,266 1.579,267 4.058,268 95.615,269 1.903,270 3.742,271 3.802,272 3.65,273 3.737,274 0.383,275 0.434,276 19,277 25.079,278 1.063,279 7.182,280 1,281 2.398,282 4.595,283 0.479,284 4.416,285 0.83,286 20.973,287 23.338,288 0.314,289 5.962,290 5.768,291 5.073,292 4.78,293 8.923,294 7.183,295 11.907,296 2.89,297 4.89,298 2.89,299 0.784,302 50.29,303 45.087,304 35,305 1,306 1.842,307 3.017,308 1.643,309 0.661,310 1.452,311 0.647,312 1.76,313 3,314 0.677,315 3.584,316 5.631,317 6.444,318 3.597,319 35.5,320 4.777,321 5.557,322 4.263,323 4.217,324 5.615,325 0.661,326 1.452,327 49.729,328 102.236,329 1.717,330 179.038,331 8.509,332 8.509,333 4.371,334 4.371,335 139,336 1.642,337 113.501,338 0.076,339 0.827,340 3.651,341 0.134,342 0.916,343 0.468,344 0.739,345 1,346 3.873,347 0.093,348 0.223,349 3.376,350 3.768,351 3.768,352 1,353 0.133,354 82.751,355 18.765,356 14.663,357 15.774,358 1.828,359 0.104,360 3.461,361 3.919,362 3.864,363 5.056,364 3.802,365 1.203,366 8.225,367 13.37,368 7.561,369 12.634,370 3.444,371 0.057,372 3.444,373 1.797,374 1.672,375 3.445,376 11.871,377 0.259,378 -4.25,379 -4.18,380 -3.95,381 3.016,382 9.095,383 4.006,384 8.617,385 4.387,386 4.387,387 3.815,388 1.025,389 5.609,390 5.834,391 5.512,392 26.021,393 0.66,394 1.294,396 9,397 7,398 6,399 0.83,400 2.626,401 1,402 -0.115,403 0.568,404 1.102,405 4.385,406 1,407 0.144,408 -0.041,409 2,410 6,411 2,413 72.656,414 72.656,415 0.179,416 2.626,417 7.431,418 7.427,419 3.587,420 3.253,421 1.422,422 1.339,423 1.651,424 0.827,425 1.411,426 1.363,427 3.235,428 272.465,429 276.465,430 141,431 3.909,432 5.822,433 6.724,434 5.351,435 0.582,436 3.795,437 1.157,438 1.157,439 13.898,440 0.196,441 0.329,442 0.481,443 40.982,444 3.776,445 6.581,446 3.155,447 3.807,448 0.107,449 141.807,450 98.515,451 98.515,452 98.515,453 1,454 1.466,455 232.126,456 258.2,457 0.208,458 0.935,459 6.185,460 2.5,461 1.5,462 57.524,463 -0.057,464 1.49,465 3.875,466 3.797,467 7.567,468 9.608,469 11.34,470 14.75,471 1.51,472 1.725,473 3.204,474 107.583,475 1.232,476 1.165,477 1.548,478 1,480 3.577,481 1.678,482 1.327,483 16.5,485 1.548,490 2.543,491 2.029,492 3.371,493 3.433,494 4.422,495 4.747,496 5.564,497 6.027,498 6.755,499 7.293,500 7.976,501 8.557,502 9.216,503 9.822,504 9.35,505 3.685,506 -0.106,507 18.14,508 18.14,509 18.14,510 18.14,511 18.14,512 18.371,513 -0.205,514 -0.205,515 1.488,516 1.677,517 1.481,518 13.075,519 12.476,520 13.075,521 3.896,522 2.868,523 4.467,524 69.075,525 6.244}
{0 CHEMBL486223,1 0.914,2 11.388,3 0.962,4 1.93,5 1.446,6 -0.068,7 1.703,8 6.308,9 6.308,10 16.439,11 5.665,12 3.377,13 5.471,14 55.595,15 23.19,16 34.918,17 4.949,18 2.213,19 1.217,20 1.217,21 2.761,22 14,23 0.333,24 3.956,25 10.507,26 2.086,27 0.862,28 34.5,29 1,30 1.975,31 0.407,32 11,33 13,34 7,35 8.302,36 5.088,37 5.029,38 4.969,39 4.978,40 4.89,41 4.789,42 11,43 3.946,44 4.006,45 3.863,46 2.021,47 2.045,48 11,49 3.807,50 33.53,51 3.611,52 4.595,53 4.866,54 26.421,55 1,56 9.824,57 11.447,58 12.485,59 13.982,60 15.143,61 16.572,62 17.806,63 19.198,64 20.476,65 1.393,66 0.868,67 0.596,68 0.722,69 3.878,70 1.862,71 3.486,72 1.063,73 1.898,74 0.827,75 0.755,76 0.857,77 1.211,78 0.936,79 0.305,80 4.847,81 5.103,82 3.957,83 3.837,84 4.904,85 5.185,86 4.755,87 3.669,88 3.531,89 3.621,90 3.488,91 11.549,92 1.297,93 29.802,94 14.609,95 32.633,96 13.944,97 27.534,98 0.977,99 6.439,100 16.52,101 1.087,102 23.757,103 0.88,104 1.448,105 0.753,106 1.246,107 0.454,108 64.154,109 0.466,110 7.575,111 0.191,112 6.702,113 4.164,114 2.63,115 0.036,116 1,117 15,118 6.773,119 0.393,120 4.069,121 4.218,122 4.618,123 4.84,124 4.62,125 4.912,126 0.821,127 12.651,128 4.722,129 6.96,130 1.2,131 23.215,132 0.942,133 24.4,134 10.78,135 0.544,136 0.705,137 7,138 3,139 5,140 3,141 11.354,142 4.233,143 2.526,144 1.561,145 1,146 1,147 1,148 3.874,149 31.233,150 7.277,151 0.872,152 1.102,153 0.915,154 1.121,155 1.081,156 12,157 1,158 3.255,159 1,160 1,161 317.975,162 0.07,163 -0.049,164 -0.087,165 10.9,166 1,167 3,168 3,169 1,170 55,171 56,172 7,173 10,174 1,175 28,176 8,177 10.25,178 3.477,179 0.919,180 8.927,181 317.82,182 50.29,183 368.11,184 317.82,185 317.82,186 50.29,187 320.148,188 49.867,189 317.82,190 317.82,191 34.341,192 317.82,193 0.558,194 10,195 21.045,196 11.453,197 7.878,198 539.281,199 54.985,200 62.976,201 0.563,202 0.73,203 0.812,204 3.874,205 34.319,206 6.874,207 1.423,208 1.422,209 3.097,210 3.185,211 2.914,212 2.913,213 3.009,214 2.735,215 2.715,216 0.138,217 3.874,218 1.405,219 1.994,220 1.227,221 1.954,222 1.03,223 1.857,224 1.11,225 1.013,226 1.417,227 0.469,228 0.937,229 0.869,230 1.239,231 1.308,232 7.213,234 32.353,235 59.259,236 127,237 206.505,238 355.84,239 495.631,240 16.096,241 9.225,242 8.971,243 9.372,244 4.834,245 9.002,246 0.145,247 5,248 13,249 5,250 1,251 5,252 2,253 2,254 9,255 2,256 47.381,257 76.34,258 24.637,259 26.887,260 29.078,261 31.318,262 0.087,263 3.841,264 1.145,265 0.022,266 1.536,267 4.042,268 95.615,269 1.896,270 3.67,271 3.759,272 3.574,273 3.68,274 0.383,275 0.484,276 19,277 25.377,278 1.035,279 7.129,280 1,281 2.398,282 4.595,283 0.4,284 4.416,285 0.83,286 20.211,287 22.487,288 0.316,289 5.89,290 5.699,291 5.037,292 4.708,293 8.599,294 6.814,295 11.024,296 2.835,297 4.835,298 2.835,299 0.784,302 50.29,303 42.637,304 35,305 1,306 1.844,307 3.142,308 1.638,309 0.654,310 1.473,311 0.642,312 1.765,313 2.962,314 0.685,315 3.584,316 5.624,317 6.431,318 3.597,319 35.5,320 4.777,321 5.549,322 4.263,323 4.22,324 5.615,325 0.654,326 1.473,327 49.72,328 101.772,329 1.716,330 179.038,331 8.479,332 8.479,333 4.279,334 4.279,335 138,336 1.598,337 116.218,338 0.073,339 0.827,340 3.635,341 0.136,342 0.881,343 0.241,344 0.92,345 1,346 3.873,347 0.093,348 0.223,349 3.382,350 3.741,351 3.741,352 1,353 0.133,354 82.596,355 18.147,356 14.326,357 15.404,358 1.817,359 0.104,360 3.476,361 3.882,362 3.809,363 4.984,364 3.75,365 1.143,366 7.609,367 12.672,368 7.48,369 12.074,370 3.444,371 0.057,372 3.444,373 1.795,374 1.671,375 3.536,376 12.506,377 0.259,378 -4.25,379 -4.18,380 -3.95,381 3.016,382 9.095,383 4.074,384 8.936,385 4.291,386 4.291,387 3.817,388 0.945,389 5.627,390 5.863,391 5.636,392 27.53,393 0.581,394 1.245,396 9,397 7,398 6,399 0.83,400 2.555,401 1,402 -0.129,403 0.568,404 1.104,405 4.459,406 1,407 0.144,408 -0.05,409 2,410 6,411 2,413 72.656,414 72.656,415 0.179,416 2.555,417 7.431,418 7.427,419 3.588,420 3.277,421 1.44,422 1.368,423 1.651,424 0.842,425 1.437,426 1.443,427 3.212,428 272.465,429 276.465,430 146,431 3.896,432 5.782,433 6.713,434 5.253,435 0.582,436 3.778,437 1,438 1,439 14.097,440 0.188,441 0.319,442 0.458,443 40.982,444 3.852,445 6.581,446 3.156,447 3.811,448 0.107,449 142.14,450 98.515,451 98.515,452 98.515,453 1,454 1.459,455 232.126,456 258.2,457 0.212,458 0.94,459 5.994,460 2.32,461 1.303,462 55.008,463 -0.057,464 1.528,465 3.867,466 3.792,467 7.426,468 9.543,469 11.295,470 14.724,471 1.504,472 1.667,473 3.282,474 104.957,475 1.221,476 1.156,477 1.548,478 1,480 3.579,481 1.678,482 1.327,483 16.5,485 1.548,490 2.543,491 2.029,492 3.371,493 3.433,494 4.422,495 4.747,496 5.564,497 6.027,498 6.755,499 7.293,500 7.976,501 8.557,502 9.216,503 9.822,504 9.35,505 3.755,506 -0.106,507 18.087,508 18.087,509 18.087,510 18.087,511 18.087,512 18.32,513 -0.206,514 -0.206,515 1.485,516 1.672,517 1.477,518 13.059,519 12.467,520 13.059,521 3.896,522 3.009,523 4.45,524 68.952,525 5}
{0 CHEMBL486427,1 0.911,2 11.372,3 1.006,4 1.93,5 1.443,6 -0.072,7 1.676,8 6.308,9 6.308,10 16.439,11 5.622,12 3.329,13 5.418,14 54.889,15 21.242,16 34.167,17 4.948,18 2.048,19 1.059,20 1.059,21 2.687,22 13,23 0.346,24 3.955,25 10.429,26 2.084,27 0.884,28 34.6,29 1,30 1.974,31 0.423,32 11,33 13,34 7,35 8.274,36 5.082,37 5.023,38 4.962,39 4.971,40 4.912,41 4.806,42 11,43 3.945,44 4.005,45 3.863,46 2.02,47 2.044,48 11,49 3.807,50 33.53,51 3.546,52 4.507,53 4.772,54 24.493,55 1,56 9.824,57 11.447,58 12.485,59 13.982,60 15.143,61 16.572,62 17.806,63 19.198,64 20.476,65 1.4,66 0.855,67 0.592,68 0.722,69 3.817,70 1.857,71 3.443,72 0.988,73 1.898,74 0.837,75 0.76,76 0.853,77 1.046,78 0.958,79 0.307,80 4.78,81 5.029,82 3.896,83 3.785,84 4.84,85 5.117,86 4.681,87 3.586,88 3.461,89 3.534,90 3.414,91 10.685,92 1.221,93 27.779,94 13.482,95 30.777,96 12.837,97 25.614,98 0.902,99 5.719,100 15.813,101 1.005,102 22.002,103 0.846,104 1.453,105 0.642,106 1.213,107 0.304,108 59.832,109 0.465,110 7.158,111 0.187,112 6.349,113 3.914,114 2.453,115 0.034,116 1,117 14.192,118 6.894,119 0.407,120 4.018,121 4.167,122 4.561,123 4.781,124 4.535,125 4.823,126 0.782,127 11.766,128 4.383,129 6.448,130 1.137,131 21.733,132 0.866,133 22.533,134 9.673,135 0.561,136 0.723,137 6,138 3,139 3,140 1,141 10.854,142 4.13,143 2.378,144 1.421,145 1,146 1,147 1,148 3.874,149 29.933,150 6.777,151 0.851,152 1.083,153 0.895,154 1.097,155 1.057,156 10,157 1,158 3.322,159 1,160 1,161 296.423,162 0.085,163 -0.034,164 -0.1,165 11.5,166 1,167 3,168 3,169 1,170 52,171 53,172 6,173 9,174 1,175 26,176 7,177 9.75,178 3.227,179 0.92,180 8.23,181 294.278,182 50.29,183 344.567,184 294.278,185 294.278,186 50.29,187 296.605,188 49.867,189 294.278,190 294.278,191 31.807,192 294.278,193 0.561,194 9,195 20.057,196 10.669,197 7.262,198 513.204,199 52.101,200 59.561,201 0.583,202 0.751,203 0.824,204 3.874,205 32.557,206 6.874,207 1.431,208 1.429,209 3.033,210 3.107,211 2.869,212 2.874,213 3.009,214 2.735,215 2.715,216 0.143,217 3.874,218 1.39,219 1.973,220 1.185,221 1.937,222 0.972,223 1.855,224 1.098,225 1.008,226 1.408,227 0.469,228 0.934,229 0.821,230 1.239,231 1.308,232 5.888,234 30.826,235 55.753,236 116,237 196.912,238 338.54,239 472.226,240 15.389,241 8.725,242 8.481,243 8.872,244 4.826,245 8.999,246 0.146,247 5,248 13,249 5,250 1,251 5,252 2,253 2,254 9,255 2,256 47.381,257 76.34,258 24.637,259 26.887,260 29.078,261 31.318,262 0.078,263 3.84,264 1.145,265 0.013,266 1.511,267 4.026,268 90.848,269 1.893,270 3.635,271 3.704,272 3.535,273 3.62,274 0.385,275 0.484,276 19,277 25.114,278 1.035,279 7.129,280 1,281 2.398,282 4.595,283 0.404,284 4.301,285 0.83,286 20.211,287 22.487,288 0.315,289 5.855,290 5.657,291 4.958,292 4.63,293 7.893,294 6.091,295 9.897,296 2.835,297 4.835,298 2.835,299 0.793,302 50.29,303 40.102,304 34,305 1,306 1.825,307 3.104,308 1.539,309 0.547,310 1.303,311 0.535,312 1.702,313 2.875,314 0.548,315 3.555,316 5.595,317 6.405,318 3.57,319 34.5,320 4.751,321 5.525,322 4.234,323 4.19,324 5.593,325 0.547,326 1.303,327 48.504,328 99.34,329 1.698,330 172.765,331 8.229,332 8.229,333 4.154,334 4.154,335 134,336 1.579,337 110.388,338 0.073,339 0.822,340 3.679,341 0.135,342 0.881,343 0.244,344 0.963,345 1,346 3.872,347 0.092,348 0.232,349 3.355,350 3.741,351 3.741,352 1,353 0.138,354 79.596,355 18.146,356 14.326,357 15.403,358 1.797,359 0.1,360 3.452,361 3.816,362 3.738,363 4.9,364 3.674,365 1.068,366 6.888,367 11.553,368 6.757,369 10.953,370 3.444,371 0.058,372 3.444,373 1.769,374 1.624,375 3.08,376 9.488,377 0.265,378 -4.01,379 -3.96,380 -3.76,381 2.783,382 7.747,383 3.994,384 8.477,385 4.291,386 4.291,387 3.8,388 0.957,389 5.593,390 5.828,391 5.595,392 26.695,393 0.591,394 1.169,396 8,397 6,398 5,399 1,400 2.264,401 1,402 -0.237,403 0.576,404 1.116,405 4.239,406 1,407 0.139,408 -0.035,409 2,410 6,411 2,413 72.656,414 72.656,415 0.17,416 2.264,417 7.431,418 7.427,419 3.556,420 3.258,421 1.397,422 1.327,423 1.603,424 0.836,425 1.358,426 1.365,427 3.208,428 252.913,429 256.913,430 133,431 3.896,432 5.782,433 6.706,434 5.247,435 0.582,436 3.746,437 1,438 1,439 13.671,440 0.195,441 0.328,442 0.479,443 38.448,444 3.777,445 6.581,446 3.076,447 3.781,448 0.074,449 138.14,450 95.981,451 95.981,452 95.981,453 1,454 1.463,455 222.549,456 244.158,457 0.211,458 0.948,459 5.817,460 2.274,461 1.178,462 54.528,463 -0.06,464 1.525,465 3.809,466 3.743,467 6.856,468 8.821,469 10.795,470 14.058,471 1.417,472 1.542,473 3.248,474 100.356,475 1.135,476 1.066,477 1.57,478 1,480 3.579,481 1.678,482 1.192,483 16,485 1.57,490 2.543,491 2.029,492 3.371,493 3.433,494 4.422,495 4.747,496 5.564,497 6.027,498 6.755,499 7.293,500 7.976,501 8.557,502 9.216,503 9.822,504 9.35,505 3.755,506 -0.111,507 17.38,508 17.38,509 17.38,510 17.38,511 17.38,512 17.613,513 -0.879,514 -0.879,515 1.471,516 1.642,517 1.466,518 12.559,519 11.967,520 12.559,521 3.896,522 3.009,523 4.438,524 68.952,525 5}
{0 CHEMBL504374,1 1.014,2 11.653,3 1.67,4 1.922,5 1.337,6 -0.046,7 1.793,8 6.308,9 6.308,10 16.409,11 4.989,12 2.812,13 4.799,14 25.134,15 8.818,16 18.934,17 4.925,18 1.544,19 0.549,20 0.549,21 2.48,22 9,23 0.491,24 3.902,25 10.072,26 2.058,27 0.783,28 36.4,29 1,30 1.994,31 0.611,32 11,33 12,34 7,35 7.994,36 5.011,37 4.996,38 5.048,39 5.296,40 5.686,41 5.949,42 11,43 3.96,44 4.019,45 3.863,46 2.007,47 2.026,48 11,49 3.7,50 33.529,51 2.952,52 3.689,53 3.911,54 11.373,55 1,56 9.752,57 11.396,58 12.443,59 13.953,60 15.119,61 16.556,62 17.793,63 19.189,64 20.469,65 1.43,66 0.469,67 0.58,68 0.72,69 3.467,70 1.862,71 2.964,72 0.543,73 1.892,74 0.894,75 0.894,76 0.823,77 0.541,78 1.126,79 0.322,80 4.222,81 4.436,82 3.432,83 3.359,84 4.325,85 4.595,86 4.049,87 2.835,88 2.799,89 2.782,90 2.685,91 6.047,92 0.776,93 14.673,94 7.354,95 18.428,96 6.764,97 13.216,98 0.449,99 2.665,100 10.571,101 0.978,102 11.583,103 0.643,104 1.499,105 0.218,106 0.864,108 25.664,109 0.456,110 4.574,111 0.166,112 4.158,113 2.489,114 1.504,115 0.025,117 8.722,118 7.434,119 0.579,120 3.596,121 3.739,122 4.095,123 4.308,124 3.709,125 3.988,126 0.525,127 6.786,128 2.653,129 3.741,130 0.754,131 12.833,132 0.399,133 9.595,134 4.307,135 0.602,136 0.696,137 2,138 3,141 7.19,142 3.431,143 1.831,144 1.33,145 1,146 1,147 1,148 3.875,149 19.867,150 3.869,151 0.753,152 0.891,153 0.78,154 0.882,155 0.869,156 2,157 1,158 3.213,159 1,160 1,161 166.465,162 0.237,163 0.113,164 -0.229,165 15.2,166 1,167 3,168 3,169 1,170 33,171 34,172 2,173 4,174 1,175 15,176 2,177 6.583,178 1.873,179 0.932,180 3.927,181 176.567,182 25.145,183 201.711,184 176.567,185 176.567,186 25.145,187 178.894,188 49.867,189 176.567,190 176.567,191 14.858,192 176.567,193 0.573,194 3,195 12.558,196 5.629,197 3.3,198 335.389,199 33.254,200 37.777,201 0.637,202 0.736,203 0.806,204 3.875,205 21.29,206 6.875,207 1.473,208 1.468,209 2.854,210 2.913,211 2.499,212 2.636,213 2.703,214 2.361,215 2.389,216 0.204,217 3.875,218 1.241,219 1.797,220 0.91,221 1.854,222 0.845,223 1.709,224 0.886,225 0.804,226 1.158,227 0.041,228 0.563,229 0.469,230 0.856,231 0.861,232 1.507,234 20.456,235 31.23,236 48,237 131.495,238 217.59,239 312.608,240 10.445,241 5.598,242 5.403,243 5.711,244 4.733,245 8.916,246 0.152,247 5,248 11.5,249 5,250 1,251 5,252 2,253 2,254 8,255 2,256 47.381,257 71.635,258 24.629,259 26.882,260 29.075,261 31.317,262 0.167,263 3.799,264 1.145,265 -0.044,266 1.442,267 3.674,268 53.432,269 1.698,270 3.232,271 3.228,272 3.071,273 3.084,274 0.302,275 0.208,276 12,277 14.621,278 0.785,279 7.01,280 1,281 2.398,282 4.595,283 0.224,284 3.082,285 1,286 20.194,287 22.475,288 0.305,289 5.426,290 5.055,291 4.318,292 3.911,293 4.053,294 1.948,295 3.286,296 2.838,297 4.838,298 2.838,299 0.762,302 25.145,303 9.847,304 25,306 1.548,307 1.836,309 -1,310 -2,311 -0.9,312 0.303,313 1.555,314 -1.381,315 3.258,316 5.293,317 6.125,318 3.277,319 25.5,320 4.463,321 5.252,322 3.932,323 3.876,324 5.32,325 -1,326 -2,327 36.786,328 74.985,329 1.504,330 106.026,331 6.085,332 6.085,333 3.082,334 3.082,335 99,336 1.508,337 64.371,338 0.075,339 0.777,340 3.947,341 0.128,342 0.721,343 0.168,344 1.455,345 1,346 3.869,347 0.086,348 0.276,349 2.756,350 3.741,351 3.741,352 1,353 0.16,354 55.201,355 18.118,356 14.281,357 15.361,358 1.733,359 0.083,360 3.114,361 3.298,362 3.148,363 4.157,364 3.001,365 0.63,366 2.892,367 5.196,368 2.44,369 4.269,370 3.445,371 0.081,372 3.445,373 1.417,374 1.308,375 1.982,376 3.929,377 0.302,378 -3.67,379 -3.64,380 -3.47,381 2.443,382 5.968,383 3.273,384 5.306,385 4.291,386 4.291,387 3.627,388 0.867,389 5.197,390 5.395,391 4.688,392 15.887,393 0.435,394 0.731,396 3,399 1,400 1.329,401 -0.476,402 -1.237,403 0.602,404 1.225,405 3.725,406 1,407 0.233,408 0.089,409 2,410 5,411 1,413 54.645,414 54.645,415 0.088,416 1.329,417 7.429,418 5.156,419 3.009,420 2.735,421 0.975,422 0.908,423 1.239,424 0.319,425 1.062,426 1.107,427 3.296,428 136.955,429 136.955,430 57,431 3.912,432 4.796,433 6.567,434 5.12,435 0.516,436 3.394,437 0.446,438 0.446,439 8.851,440 0.272,441 0.43,442 0.73,443 8.193,444 3.143,445 6.581,446 2.687,447 3.457,448 0.05,449 100.205,450 79.032,451 79.032,452 79.032,453 0.5,454 1.507,455 122.591,456 134.2,457 0.203,458 0.965,459 4.345,460 1.746,461 0.575,462 24.085,463 -0.084,464 1.219,465 3.378,466 3.347,467 3.97,468 4.911,469 7.237,470 9.459,471 1.181,472 0.917,473 2.558,474 68.998,475 0.934,476 0.821,477 1.613,478 2,480 2.844,481 0.527,482 0.555,483 11.25,485 1.613,490 1.812,491 1.305,492 2.446,493 2.419,494 3.301,495 3.517,496 4.244,497 4.595,498 5.23,499 5.656,500 6.239,501 6.706,502 7.26,503 7.75,504 4.41,505 3.702,506 -0.143,507 11.983,508 11.983,509 11.983,510 11.983,511 11.983,512 12.186,513 -3.481,514 -3.481,515 1.025,516 1.236,517 1.205,518 8.665,519 8.211,520 8.665,521 3.905,522 2.986,523 4.299,524 68.952,525 6.222}
{0 CHEMBL505359,1 1.026,2 11.698,3 1.302,4 1.926,5 1.348,6 -0.041,7 1.894,8 6.308,9 6.308,10 16.401,11 5.038,12 2.951,13 4.911,14 24.604,15 10.588,16 20.119,17 4.924,18 1.742,19 0.749,20 0.749,21 2.499,22 10,23 0.467,24 3.922,25 10.252,26 2.068,27 0.742,28 36.1,29 1,30 1.995,31 0.579,32 11,33 12,34 7,35 8.028,36 4.991,37 4.933,38 4.875,39 4.909,40 5.296,41 5.686,42 11,43 3.955,44 4.015,45 3.862,46 2.012,47 2.033,48 11,49 3.7,50 33.527,51 3.068,52 3.853,53 4.084,54 13.685,55 1,56 9.752,57 11.397,58 12.442,59 13.952,60 15.117,61 16.554,62 17.791,63 19.187,64 20.466,65 1.414,66 0.584,67 0.587,68 0.719,69 3.57,70 1.869,71 2.974,72 0.616,73 1.895,74 0.875,75 0.875,76 0.831,77 0.739,78 1.091,79 0.319,80 4.337,81 4.566,82 3.527,83 3.437,84 4.429,85 4.706,86 4.177,87 3.005,88 2.945,89 2.932,90 2.849,91 6.951,92 0.851,93 17.037,94 8.592,95 20.468,96 7.96,97 15.175,98 0.526,99 2.73,100 11.278,101 0.952,102 13.111,103 0.69,104 1.485,105 0.218,106 0.997,107 0.027,108 28.593,109 0.458,110 4.99,111 0.174,112 4.511,113 2.717,114 1.699,115 0.028,116 1,117 9.526,118 7.204,119 0.55,120 3.672,121 3.817,122 4.185,123 4.402,124 3.925,125 4.211,126 0.564,127 7.727,128 2.982,129 4.265,130 0.816,131 14.404,132 0.498,133 12.193,134 4.808,135 0.591,136 0.716,137 3,138 3,141 7.69,142 3.589,143 1.951,144 1.274,145 1,146 1,147 1,148 3.874,149 21.167,150 4.369,151 0.786,152 0.932,153 0.816,154 0.941,155 0.923,156 4,157 1,158 3.219,159 1,160 1,161 186.117,162 0.203,163 0.072,164 -0.18,165 13.9,166 1,167 3,168 3,169 1,170 36,171 37,172 3,173 5,174 1,175 17,176 3,177 7.083,178 2.123,179 0.93,180 4.504,181 200.109,182 25.145,183 225.254,184 200.109,185 200.109,186 25.145,187 202.437,188 49.867,189 200.109,190 200.109,191 17.393,192 200.109,193 0.569,194 4,195 13.534,196 6.323,197 3.782,198 361.465,199 36.138,200 41.192,201 0.623,202 0.754,203 0.816,204 3.874,205 23.051,206 6.874,207 1.455,208 1.45,209 2.854,210 2.925,211 2.627,212 2.757,213 2.802,214 2.49,215 2.517,216 0.194,217 3.874,218 1.299,219 1.835,220 1.009,221 1.857,222 0.845,223 1.792,224 0.886,225 0.804,226 1.181,227 0.121,228 0.737,229 0.659,230 0.992,231 0.998,232 2.623,234 21.983,235 34,236 55,237 141.087,238 234.89,239 336.013,240 11.152,241 6.098,242 5.893,243 6.211,244 4.742,245 8.918,246 0.153,247 5,248 11.5,249 5,250 1,251 5,252 2,253 2,254 8,255 2,256 47.381,257 71.635,258 24.626,259 26.879,260 29.072,261 31.314,262 0.188,263 3.818,264 1.144,265 -0.009,266 1.477,267 3.674,268 58.247,269 1.773,270 3.285,271 3.317,272 3.089,273 3.186,274 0.3,275 0.205,276 12,277 15.056,278 0.91,279 7.01,280 1,281 2.398,282 4.595,283 0.242,284 3.24,285 1,286 20.192,287 22.472,288 0.307,289 5.477,290 5.122,291 4.449,292 4.075,293 4.747,294 2.746,295 4.565,296 2.836,297 4.836,298 2.836,299 0.775,302 25.145,303 12.382,304 26,306 1.598,307 1.856,308 0.238,309 -0.759,310 -1.696,311 -0.756,312 0.5,313 1.71,314 -1,315 3.296,316 5.333,317 6.159,318 3.314,319 26.5,320 4.497,321 5.283,322 3.97,323 3.916,324 5.349,325 -0.759,326 -1.696,327 37.864,328 77.109,329 1.56,330 115.878,331 6.326,332 6.326,333 3.154,334 3.154,335 103,336 1.553,337 70.368,338 0.073,339 0.789,340 3.855,341 0.131,342 0.561,343 0.132,344 1.253,345 1,346 3.87,347 0.088,348 0.26,349 2.833,350 3.741,351 3.741,352 1,353 0.151,354 58.201,355 18.115,356 14.276,357 15.356,358 1.794,359 0.088,360 3.233,361 3.407,362 3.278,363 4.336,364 3.166,365 0.705,366 3.481,367 6.183,368 3.474,369 5.813,370 3.444,371 0.079,372 3.444,373 1.417,374 1.373,375 2.438,376 5.946,377 0.29,378 -3.94,379 -3.9,380 -3.7,381 2.715,382 7.37,383 3.404,384 5.782,385 4.29,386 4.29,387 3.649,388 0.995,389 5.247,390 5.449,391 4.893,392 16.872,393 0.423,394 0.807,396 5,397 1,399 1,400 1.744,401 -0.375,402 -1.141,403 0.588,404 1.189,405 3.722,406 1,407 0.242,408 0.054,409 2,410 5,411 1,413 54.645,414 54.645,415 0.108,416 1.744,417 7.429,418 5.156,419 3.047,420 2.785,421 1.096,422 1.004,423 1.379,424 0.469,425 1.062,426 1.107,427 3.307,428 154.608,429 154.608,430 66,431 3.905,432 4.796,433 6.575,434 5.159,435 0.515,436 3.439,437 0.504,438 0.504,439 9.291,440 0.253,441 0.406,442 0.662,443 10.728,444 3.257,445 6.581,446 2.687,447 3.498,448 0.07,449 104.205,450 81.567,451 81.567,452 81.567,453 0.5,454 1.492,455 140.243,456 151.853,457 0.204,458 0.943,459 4.569,460 2.057,461 0.726,462 26.424,463 -0.078,464 1.239,465 3.465,466 3.419,467 4.536,468 5.659,469 7.723,470 10.126,471 1.209,472 1.024,473 2.721,474 73.599,475 0.934,476 0.821,477 1.581,478 2,480 2.79,481 0.527,482 0.72,483 11.75,485 1.581,490 1.812,491 1.305,492 2.446,493 2.419,494 3.301,495 3.517,496 4.244,497 4.595,498 5.23,499 5.656,500 6.239,501 6.706,502 7.26,503 7.75,504 4.41,505 3.716,506 -0.134,507 12.69,508 12.69,509 12.69,510 12.69,511 12.69,512 12.893,513 -3.013,514 -3.013,515 1.103,516 1.393,517 1.308,518 9.165,519 8.711,520 9.165,521 3.898,522 2.991,523 4.312,524 68.952,525 6.301}
{0 CHEMBL506116,1 1.255,2 11.199,3 1.039,4 1.927,5 1.348,6 -0.041,7 1.884,8 6.568,9 6.568,10 16.831,11 5.188,12 2.997,13 4.996,14 32.276,15 13.527,16 23.366,17 5.009,18 1.865,19 0.879,20 0.879,21 2.499,22 10,23 0.512,24 3.922,25 10.228,26 2.069,27 0.772,28 36.1,29 1,30 1.995,31 0.579,32 11,33 12,34 7,35 8.105,36 4.968,37 4.835,38 4.863,39 5.016,40 5.335,41 5.645,42 11,43 3.964,44 4.025,45 3.864,46 2.017,47 2.035,48 11,49 3.7,50 34.911,51 3.167,52 4.042,53 4.324,54 16.264,55 1,56 9.873,57 11.511,58 12.626,59 14.135,60 15.365,61 16.81,62 18.104,63 19.516,64 20.845,65 1.413,66 0.616,67 0.587,68 0.719,69 3.543,70 1.869,71 3.02,72 0.708,73 1.896,74 0.875,75 0.875,76 0.831,77 0.865,78 1.091,79 0.327,80 4.347,81 4.571,82 3.557,83 3.472,84 4.481,85 4.751,86 4.267,87 3.099,88 3.011,89 2.985,90 2.917,91 7.045,92 0.872,93 17.048,94 8.71,95 21.484,96 8.456,97 16.453,98 0.577,99 2.885,100 11.302,101 0.952,102 13.345,103 0.702,104 1.485,105 0.218,106 0.961,107 0.001,108 29.618,109 0.459,110 4.99,111 0.174,112 4.523,113 2.807,114 1.795,115 0.03,116 1,117 8.842,118 7.204,119 0.55,120 3.672,121 3.817,122 4.182,123 4.398,124 3.919,125 4.195,126 0.564,127 7.727,128 2.982,129 4.265,130 0.815,131 14.338,132 0.52,133 11.785,134 5.002,135 0.591,136 0.716,137 3,138 3,141 7.673,142 3.589,143 1.951,144 1.274,145 1,146 1,147 1,148 3.988,149 21.167,150 4.346,151 0.786,152 0.879,153 0.816,154 0.927,155 0.919,156 4,157 1,158 3.219,159 1,160 1,161 186.117,162 0.256,163 0.099,164 -0.164,165 13.9,166 1,167 3,168 3,169 1,170 36,171 37,172 3,173 5,174 1,175 17,176 3,177 7.083,178 2.123,179 0.93,180 4.504,181 200.109,182 25.145,183 225.254,184 200.109,185 200.109,186 25.145,187 200.109,188 49.744,189 200.109,190 200.109,191 17.393,192 200.109,193 0.567,194 4,195 13.534,196 6.323,197 3.535,198 361.465,199 36.138,200 41.192,201 0.623,202 0.754,203 0.816,204 3.988,205 23.051,206 6.988,207 1.455,208 1.451,209 2.854,210 2.925,211 2.687,212 2.817,213 2.861,214 2.458,215 2.519,216 0.199,217 3.988,218 1.304,219 1.854,220 1.021,221 1.887,222 0.848,223 1.766,224 0.886,225 0.804,226 1.146,227 0.196,228 0.76,229 0.668,230 1.062,231 1.054,232 2.538,234 21.983,235 33.82,236 55,237 141.087,238 234.89,239 336.013,240 11.152,241 6.098,242 5.893,243 6.211,244 4.774,245 8.971,246 0.164,247 5,248 11.5,249 5,250 1,251 5,252 2,253 2,254 8,255 2,256 47.381,257 71.635,258 25.609,259 27.953,260 30.259,261 32.593,262 0.116,263 3.818,264 1.144,265 -0.008,266 1.439,267 3.643,268 58.247,269 1.746,270 3.383,271 3.391,272 3.204,273 3.291,274 0.3,275 0.264,276 12,277 14.466,278 0.938,279 7.069,280 1,281 2.398,282 4.595,283 0.246,284 3.24,285 1,286 20.963,287 23.331,288 0.304,289 5.571,290 5.241,291 4.522,292 4.236,293 5.184,294 3.498,295 5.893,296 2.892,297 4.892,298 2.892,299 0.775,302 25.145,303 14.832,304 26,306 1.513,307 1.854,308 0.273,309 -0.729,310 -1.614,311 -0.728,312 0.5,313 1.682,314 -1,315 3.296,316 5.342,317 6.176,318 3.314,319 26.5,320 4.497,321 5.293,322 3.97,323 3.913,324 5.349,325 -0.729,326 -1.614,327 37.879,328 77.596,329 1.61,330 115.878,331 6.357,332 6.357,333 3.281,334 3.281,335 104,336 1.516,337 66.371,338 0.077,339 0.789,340 3.88,341 0.129,342 0.676,343 0.178,344 0.943,345 1,346 3.872,347 0.089,348 0.26,349 2.769,350 3.766,351 3.766,352 1,353 0.151,354 58.356,355 18.747,356 14.627,357 15.74,358 1.782,359 0.088,360 3.238,361 3.477,362 3.382,363 4.506,364 3.283,365 0.773,366 4.133,367 6.976,368 3.871,369 6.661,370 3.444,371 0.079,372 3.444,373 1.426,374 1.308,375 2.347,376 5.51,377 0.29,378 -3.94,379 -3.9,380 -3.7,381 2.715,382 7.37,383 3.285,384 5.404,385 4.387,386 4.387,387 3.631,388 0.846,389 5.22,390 5.409,391 4.958,392 15.368,393 0.498,394 0.856,396 5,397 1,399 1,400 1.975,401 -0.336,402 -1.107,403 0.588,404 1.184,405 3.827,406 1,407 0.242,408 0.067,409 2,410 5,411 1,413 54.645,414 54.645,415 0.108,416 1.975,417 7.429,418 5.193,419 3.009,420 2.745,421 0.977,422 0.889,423 1.369,424 0.469,425 1.062,426 1.107,427 3.357,428 154.608,429 154.608,430 61,431 3.918,432 4.836,433 6.588,434 5.266,435 0.515,436 3.463,437 0.467,438 0.467,439 9.107,440 0.271,441 0.428,442 0.732,443 10.728,444 3.15,445 6.581,446 2.709,447 3.493,448 0.05,449 103.872,450 81.567,451 81.567,452 81.567,453 0.5,454 1.5,455 140.243,456 151.853,457 0.199,458 0.935,459 4.755,460 2.044,461 0.683,462 29.884,463 -0.078,464 1.239,465 3.477,466 3.427,467 4.66,468 5.733,469 7.768,470 10.152,471 1.181,472 1.109,473 2.505,474 76.226,475 0.934,476 0.821,477 1.581,478 2,480 2.819,481 0.527,482 0.896,483 11.75,485 1.581,490 1.812,491 1.305,492 2.446,493 2.419,494 3.301,495 3.517,496 4.244,497 4.595,498 5.23,499 5.656,500 6.239,501 6.706,502 7.26,503 7.75,504 4.41,505 3.612,506 -0.134,507 12.742,508 12.742,509 12.742,510 12.742,511 12.742,512 12.945,513 -2.53,514 -2.53,515 1.136,516 1.417,517 1.304,518 9.182,519 8.72,520 9.182,521 3.896,522 2.825,523 4.332,524 69.075,525 5}
{0 CHEMBL509860,1 1.227,2 11.315,3 1.062,4 1.999,5 1.135,6 0.042,7 3.897,8 6.575,9 6.575,10 17.166,11 5.408,12 3.148,13 5.158,14 30.554,15 15.022,16 27.182,17 5.027,18 2.075,19 1.082,20 1.082,21 2.687,22 18,23 0.412,24 3.948,25 18.368,26 2.1,27 0.806,28 42.5,29 3,30 2.067,31 0.739,32 17,33 18,34 13,35 10.037,36 5.677,37 5.853,38 6.247,39 6.598,40 6.988,41 7.347,42 17,43 4.029,44 4.068,45 3.964,46 2.064,47 2.076,48 17,49 4.248,50 35.112,51 3.447,52 4.166,53 4.429,54 17.372,55 1,56 10.294,57 11.961,58 13.067,59 14.598,60 15.822,61 17.281,62 18.57,63 19.991,64 21.318,65 1.452,66 0.727,67 0.567,68 0.706,69 3.674,70 1.944,71 3.345,72 0.955,73 1.977,74 0.888,75 0.888,76 0.833,77 1.074,78 0.973,79 0.338,80 4.439,81 4.623,82 3.8,83 3.734,84 4.595,85 4.834,86 4.42,87 3.32,88 3.222,89 3.22,90 3.127,91 7.348,92 1.068,93 16.591,94 9.238,95 22.624,96 9.966,97 17.923,98 0.713,99 4.104,100 13.451,101 1.107,102 14.958,103 0.65,104 1.512,105 0.232,106 1.166,107 0.218,108 32.841,109 0.446,110 5.84,111 0.16,112 5.424,113 3.521,114 2.282,115 0.024,116 1,117 10.217,118 7.685,119 0.68,120 3.792,121 3.922,122 4.273,123 4.459,124 3.951,125 4.162,126 0.638,127 7.567,128 3.378,129 4.429,130 0.961,131 14.092,132 0.618,133 10.827,134 5.683,135 0.562,136 0.651,137 1,138 3,139 1,141 9.187,142 3.765,143 2.126,144 1.62,145 1,146 1,147 1,148 4.009,149 23.967,150 4.439,151 0.724,152 0.767,153 0.778,154 0.811,155 0.826,157 1,158 3.195,159 1,160 1,161 212.877,162 0.34,163 0.167,164 -0.198,165 12.5,166 1,167 3,168 3,169 1,170 40,171 42,172 1,173 3,174 1,175 17,176 1,177 7.917,178 2.241,179 0.974,180 4.379,181 200.109,182 25.145,183 225.254,184 200.109,185 200.109,186 25.145,187 200.109,188 49.744,189 200.109,190 200.109,191 18.695,192 200.109,193 0.577,194 3,195 15.229,196 6.613,197 3.396,198 400.673,199 40.138,200 45.192,201 0.6,202 0.696,203 0.792,204 4.009,205 27.051,206 7.009,207 1.486,208 1.482,209 2.854,210 2.925,211 2.687,212 2.854,213 2.925,214 2.618,215 2.597,216 0.16,217 4.009,218 1.235,219 1.928,220 1.043,221 1.915,222 0.853,223 1.838,224 0.886,225 0.821,226 1.181,227 0.218,228 0.886,229 0.804,230 1.062,231 1.107,232 0.502,234 25.983,235 37.024,236 77,237 163.281,238 272.91,239 390.166,240 13.048,241 7.169,242 6.925,243 7.282,244 5.254,245 9.401,246 0.175,247 9,248 17.5,249 9,250 2,251 9,252 3,253 3,254 14,255 3,256 85.286,257 115.912,258 25.872,259 28.199,260 30.487,261 32.808,262 0.078,263 3.859,264 1.13,265 -0.091,266 1.523,267 3.674,268 70.356,269 1.843,270 3.665,271 3.673,272 3.563,273 3.591,274 0.292,275 0.236,276 12,277 15.371,278 1.188,279 7.467,280 1,281 2.398,282 4.595,283 0.215,284 3.082,285 1,286 21.265,287 23.615,288 0.29,289 5.737,290 5.485,291 4.651,292 4.373,293 7.097,294 5,295 7.194,296 2.925,297 4.925,298 2.925,299 0.741,302 25.145,303 9.763,304 34,306 1.842,307 3,308 1.502,309 0.468,310 1.075,311 0.476,312 1.326,313 2.829,314 0.014,315 3.555,316 5.617,317 6.475,318 3.57,319 34.5,320 4.773,321 5.587,322 4.234,323 4.19,324 5.698,325 0.468,326 1.075,327 50.254,328 103.371,329 1.76,330 127.818,331 8.289,332 8.289,333 4.932,334 4.932,335 137,336 1.588,337 154.11,338 0.089,339 0.78,340 4.135,341 0.12,342 0.888,343 0.176,344 1.136,345 3,346 3.969,347 0.08,348 0.305,349 2.971,350 3.768,351 3.768,352 2,353 0.123,354 70.154,355 19.074,356 14.973,357 16.082,358 1.799,359 0.08,360 3.386,361 3.747,362 3.658,363 4.619,364 3.541,365 1.026,366 5.7,367 8.232,368 5.11,369 7.52,370 3.876,371 0.078,372 3.876,373 1.562,374 1.345,375 2.953,376 8.723,377 0.274,378 -4.72,379 -4.64,380 -4.36,381 3.494,382 12.209,383 3.492,384 6.111,385 4.401,386 4.401,387 3.77,388 1.097,389 5.374,390 5.571,391 4.987,392 14.433,393 0.452,394 1.136,396 11,397 6,398 3,399 1,400 2.48,401 1,402 -0.6,403 0.599,404 1.176,405 4.089,406 1,407 0.238,408 0.11,409 4,410 5,411 1,413 54.645,414 54.645,415 0.071,416 2.48,417 7.429,418 5.195,419 3.141,420 2.931,421 1.03,422 0.96,423 1.427,424 0.469,425 1.122,426 1.107,427 3.338,428 177.367,429 177.367,430 85,431 3.981,432 6.709,433 6.981,434 5.209,435 0.506,436 3.719,437 1,438 1,439 10.531,440 0.216,441 0.342,442 0.582,443 5.659,444 3.334,445 6.581,446 2.739,447 3.71,448 0.098,449 129.872,450 120.774,451 120.774,452 120.774,454 1.525,455 148.083,456 168.612,457 0.188,458 0.979,459 6.474,460 2.5,461 1.5,462 30.37,463 -0.035,464 1.239,465 3.691,466 3.655,467 5.334,468 6.782,469 9.275,470 12.609,471 1.181,472 1.505,473 2.757,474 92.16,475 0.934,476 0.821,477 1.557,478 2,480 3.008,481 0.68,482 1.077,483 14.25,485 1.557,490 1.952,491 1.305,492 2.483,493 2.419,494 3.308,495 3.517,496 4.245,497 4.595,498 5.23,499 5.656,500 6.239,501 6.706,502 7.26,503 7.75,504 5.77,505 3.812,506 -0.062,507 15.552,508 15.552,509 15.552,510 15.552,511 15.552,512 15.755,513 -2,514 -2,515 1.293,516 1.417,517 1.308,518 11.148,519 10.686,520 11.148,521 4.238,522 3.294,523 4.722,524 106.98,525 5}
{0 CHEMBL514886,3 1.118,4 1.88,5 1.578,6 -0.104,8 6.567,9 6.567,10 17.114,11 6.28,12 3.989,13 6.125,14 113.113,15 47.57,16 54.706,17 5.197,18 2.443,19 1.441,20 1.441,21 3.146,22 16,23 0.325,24 3.867,26 2.083,27 0.667,28 32.9,30 1.912,31 0.125,33 3,35 6.824,36 4.043,37 4.22,38 4.22,39 4.357,40 4.174,41 4.174,42 4,43 3.954,44 3.986,45 3.809,46 2.051,47 2.054,48 4,49 2,50 35.123,51 4.189,52 5.347,53 5.623,54 48.05,55 0.83,56 8.733,57 10.061,58 11.097,59 12.331,60 13.458,61 14.661,62 15.826,63 17.021,64 18.203,65 1.311,66 1.255,67 0.643,68 0.733,69 4.117,70 1.811,71 4.039,72 1.824,73 1.846,74 1.428,75 1.032,76 0.773,77 1.43,78 3.363,79 0.279,80 5.328,81 5.621,82 4.327,83 4.142,84 5.326,85 5.604,86 5.326,87 4.358,88 4.199,89 4.353,90 4.193,91 18.818,92 1.806,93 45.557,94 23.305,95 46.515,96 23.056,97 46.662,98 1.864,99 15.615,100 21.509,101 1.991,102 43.379,103 1.356,104 1.35,105 1.08,106 1.616,107 0.878,108 162.433,109 0.488,110 10.773,111 0.249,112 9.218,113 6.368,114 4.282,115 0.059,117 15.125,118 5.744,120 4.382,121 4.523,122 5.003,123 5.225,124 5.364,125 5.633,126 1.008,127 19.83,128 8.218,129 11.531,130 1.536,131 35.09,132 1.863,133 48.861,134 23.406,135 0.347,136 0.538,137 17,139 12,140 11,141 15.012,142 4.999,143 4.1,144 2.881,147 0.5,148 3.34,149 40.733,150 12.543,151 1.083,152 1.376,153 1.129,154 1.397,155 1.345,156 34,158 2.204,161 497.999,162 -0.167,163 -0.206,164 0.037,165 1.3,170 79,171 79,172 19,173 23,175 47,176 18,177 13.917,178 6.028,179 0.876,180 17.532,181 541.471,182 97.435,183 638.905,184 529.7,185 541.471,186 97.435,187 494.386,189 541.471,190 541.471,191 59.575,192 541.471,193 0.523,194 22,195 28.941,196 19.385,197 13.937,198 745.137,199 78.061,200 90.095,201 0.35,202 0.543,203 0.684,204 3.34,205 46.79,206 5.34,207 1.341,208 1.339,209 3.386,210 3.46,211 3.24,212 3.338,213 3.393,214 3.115,215 3.112,216 0.104,217 3.34,218 1.46,219 2.059,220 1.423,221 2.009,222 1.341,223 1.943,224 1.403,225 1.325,226 1.719,227 1.005,228 1.303,229 1.235,230 1.554,231 1.566,232 18.5,233 11.138,234 42.712,235 108.047,236 220,237 270.771,238 493.03,239 652.442,240 20.579,241 13.063,242 12.788,243 13.189,244 4.025,245 7.917,246 0.14,248 4.5,252 1,253 1,254 3,255 1,257 25.378,258 25.763,259 28.126,260 30.442,261 32.793,262 -0.016,263 3.667,264 1.14,265 0.04,266 1.682,267 4.18,269 1.916,270 3.954,271 4.158,272 3.97,273 4.175,274 0.491,275 0.959,276 81,277 36.11,278 1.875,279 6.33,283 0.549,284 5.339,285 0.83,286 21.083,287 23.475,288 0.325,289 6.118,290 6.135,291 5.596,292 5.341,293 15.584,294 15.632,295 23.397,296 3,297 4.979,298 3,299 0.678,300 2,301 1,302 144.519,303 80.854,304 37,306 1.919,307 3,308 1.853,309 0.858,310 1.601,311 0.851,312 1.859,313 2.912,314 0.814,315 3.638,316 5.694,317 6.491,318 3.584,319 35,320 4.754,321 5.572,322 4.317,323 4.268,324 5.614,325 0.858,326 1.601,327 45.704,328 103.302,329 1.761,330 174.11,331 8.79,332 8.79,333 4.407,334 4.407,335 148,336 1.741,338 0.072,339 0.767,340 3.228,341 0.141,342 0.902,343 0.552,344 0.945,346 3.806,347 0.092,348 0.166,349 3.491,350 3.932,351 3.932,353 0.133,354 97.696,355 18.863,356 14.864,357 16.002,358 1.996,359 0.152,360 3.53,361 4.328,362 4.331,363 5.608,364 4.343,365 1.793,366 15.45,367 22.868,368 15.531,369 23.1,370 2.897,371 0.02,372 2.897,373 1.929,374 1.854,375 6.898,376 47.577,377 0.205,378 -6.08,379 -5.92,380 -5.51,381 4.845,382 23.475,383 4.044,384 8.832,385 4.213,386 4.213,387 3.792,388 1.053,389 5.847,390 6.006,391 6.267,392 43.629,393 0.725,394 1.792,395 2,396 15,397 13,398 12,399 0.5,400 2.992,401 1.342,402 0.633,403 0.516,404 0.96,405 4.938,406 0.75,407 0.003,408 -0.197,410 1,411 5,412 2,413 18.011,414 18.011,415 0.278,416 2.992,417 7.455,418 7.434,419 3.724,420 3.476,421 1.618,422 1.566,423 1.853,424 1.143,425 1.615,426 1.653,427 4.414,428 385.186,429 416.489,430 154,431 3.862,432 3.073,433 6.004,434 5.213,435 0.699,436 3.884,437 1.317,438 1.317,439 17.962,440 0.307,441 0.498,442 0.798,443 63.203,444 3.853,446 3.371,447 3.882,448 0.157,449 154.001,450 88.221,451 88.221,452 88.221,453 1,454 1.416,455 270.435,456 340.73,457 0.209,458 0.92,459 6.491,460 2.351,461 1.345,462 64.889,463 -0.033,464 1.737,465 4.198,466 4.053,467 12.954,468 15.613,469 14.581,470 18.94,471 1.82,472 2.853,473 3.355,474 126.374,475 1.54,476 1.471,477 1.305,478 7,479 103.715,480 3.706,481 2.443,482 1.636,483 18.25,484 2,485 1.305,486 1,487 1,488 3,489 2,490 3.149,491 2.882,492 4.55,493 4.955,494 6.183,495 6.85,496 7.902,497 8.685,498 9.656,499 10.495,500 11.427,501 12.293,502 13.205,503 14.085,504 13.032,505 3.289,506 -0.079,507 21.924,508 21.924,509 21.924,510 21.924,511 21.924,512 22.189,513 0.626,514 0.626,515 1.616,516 1.849,517 1.768,518 15.617,519 15.071,520 15.617,521 3.75,522 2.317,523 3.892,524 28.646,525 6.222}
{0 CHEMBL516323,3 1.093,4 1.88,5 1.578,6 -0.104,8 6.567,9 6.567,10 17.218,11 6.163,12 4.046,13 6.203,14 72.035,15 49.931,16 61.534,17 5.198,18 2.414,19 1.414,20 1.414,21 3.136,22 16,23 0.325,24 3.868,26 2.083,27 0.626,28 32.9,30 1.895,31 0.125,33 3,35 6.824,36 4.094,37 4.174,38 4.263,39 4.382,40 4.277,41 4.19,42 4,43 3.955,44 3.987,45 3.81,46 2.051,47 2.054,48 4,49 2,50 35.147,51 4.212,52 5.394,53 5.67,54 47.757,55 0.83,56 8.897,57 10.211,58 11.271,59 12.499,60 13.636,61 14.835,62 16.003,63 17.193,64 18.374,65 1.33,66 1.255,67 0.648,68 0.738,69 4.134,70 1.778,71 4.023,72 1.884,73 1.846,74 1.438,75 1.041,76 0.772,77 1.398,78 3.304,79 0.293,80 5.331,81 5.62,82 4.339,83 4.162,84 5.35,85 5.623,86 5.341,87 4.393,88 4.235,89 4.368,90 4.215,91 18.807,92 1.827,93 46.138,94 23.429,95 47.772,96 23.253,97 47.817,98 1.934,99 15.743,100 21.327,101 2,102 44.247,103 1.383,104 1.374,105 1.014,106 1.616,107 0.878,108 167.369,109 0.485,110 10.719,111 0.246,112 9.349,113 6.467,114 4.24,115 0.058,117 15.031,118 5.744,120 4.382,121 4.523,122 5.003,123 5.225,124 5.396,125 5.664,126 1.008,127 19.83,128 8.218,129 11.531,130 1.542,131 35.127,132 1.897,133 50.66,134 23.688,135 0.341,136 0.52,137 16,139 12,140 11,141 15.003,142 4.999,143 4.135,144 2.995,147 0.5,148 3.341,149 40.733,150 12.515,151 1.083,152 1.388,153 1.101,154 1.385,155 1.325,156 34,158 2.169,161 497.999,162 -0.179,163 -0.194,164 0.035,165 1.3,170 79,171 79,172 19,173 23,175 47,176 16,177 14.25,178 6.028,179 0.871,180 16.595,181 541.471,182 97.435,183 638.905,184 529.7,185 541.471,186 97.435,187 459.073,189 541.471,190 541.471,191 54.935,192 541.471,193 0.531,194 21,195 28.941,196 18.349,197 12.668,198 749.322,199 78.061,200 90.095,201 0.344,202 0.525,203 0.683,204 3.341,205 46.79,206 5.341,207 1.361,208 1.359,209 3.375,210 3.456,211 3.185,212 3.311,213 3.375,214 3.111,215 3.101,216 0.104,217 3.341,218 1.46,219 2.059,220 1.423,221 2.009,222 1.341,223 1.944,224 1.402,225 1.324,226 1.719,227 0.989,228 1.3,229 1.23,230 1.536,231 1.562,232 17.836,233 11.137,234 42.712,235 108.07,236 220,237 270.771,238 493.03,239 652.442,240 20.742,241 13.013,242 12.69,243 13.136,244 4.06,245 8.029,246 0.143,248 4.5,252 1,253 1,254 3,255 1,257 25.378,258 25.817,259 28.171,260 30.479,261 32.823,262 0.028,263 3.679,264 1.14,265 0.06,266 1.683,267 4.181,269 1.919,270 3.981,271 4.18,272 4.004,273 4.186,274 0.487,275 0.723,276 89,277 36.934,278 2,279 6.479,283 0.793,284 5.431,285 0.83,286 21.163,287 23.544,288 0.321,289 6.172,290 6.249,291 5.609,292 5.344,293 15.678,294 16.255,295 24.349,296 3,297 4.98,298 3,299 0.677,300 5,301 1,302 179.832,303 85.039,304 38,305 2,306 1.989,307 3,308 1.871,309 0.868,310 1.593,311 0.864,312 1.857,313 2.932,314 0.827,315 3.664,316 5.72,317 6.526,318 3.584,319 35,320 4.771,321 5.624,322 4.344,323 4.293,324 5.68,325 0.868,326 1.593,327 46.358,328 107.983,329 1.761,330 171.356,331 9.174,332 9.174,333 4.419,334 4.419,335 152,336 1.741,338 0.071,339 0.765,340 3.374,341 0.14,342 1.062,343 0.62,344 0.995,346 3.806,347 0.09,348 0.199,349 3.492,350 3.932,351 3.932,353 0.166,354 97.115,355 18.961,356 14.985,357 16.113,358 1.996,359 0.147,360 3.534,361 4.341,362 4.34,363 5.614,364 4.372,365 1.82,366 15.449,367 22.981,368 15.847,369 23.643,370 3.096,371 0.02,372 3.096,373 1.929,374 1.856,375 7.24,376 52.422,377 0.205,378 -6.08,379 -5.92,380 -5.51,381 4.845,382 23.475,383 4.016,384 8.647,385 4.213,386 4.213,387 3.796,388 1.084,389 5.85,390 6.058,391 6.321,392 45.776,393 0.67,394 1.816,395 3,396 13,397 12,398 12,399 0.5,400 3.108,401 1.342,402 0.524,403 0.516,404 0.966,405 4.938,406 0.75,407 0.003,408 -0.177,410 1,411 5,412 2,413 18.011,414 18.011,415 0.266,416 3.108,417 7.456,418 7.434,419 3.725,420 3.489,421 1.625,422 1.576,423 1.855,424 1.143,425 1.611,426 1.652,427 6.025,428 384.431,429 415.734,430 151,431 3.864,432 3.013,433 6.066,434 5.213,435 0.699,436 3.941,437 1.317,438 1.317,439 19.397,440 0.315,441 0.509,442 0.823,443 58.563,444 3.824,446 3.356,447 3.903,448 0.182,449 156.334,450 92.406,451 92.406,452 92.406,453 1,454 1.445,455 261.416,456 339.975,457 0.209,458 0.909,459 6.56,460 2.351,461 1.345,462 105.67,463 -0.033,464 1.733,465 4.201,466 4.059,467 12.919,468 15.72,469 14.176,470 18.955,471 1.82,472 2.829,473 3.329,474 126.243,475 1.539,476 1.471,477 1.305,478 5,479 103.604,480 3.822,481 2.443,482 1.688,483 18.25,484 2,485 1.305,486 1,487 1,488 4,489 2,490 3.172,491 2.882,492 4.579,493 4.982,494 6.22,495 6.893,496 7.95,497 8.741,498 9.717,499 10.563,500 11.5,501 12.373,502 13.291,503 14.178,504 13.302,505 3.384,506 -0.079,507 21.717,508 21.717,509 21.717,510 21.717,511 21.717,512 21.979,513 0.619,514 0.619,515 1.616,516 1.849,517 1.767,518 15.528,519 14.994,520 15.528,521 3.934,522 2.398,523 3.951,524 37.471,525 7.367}
{0 CHEMBL519874,1 1.056,2 10.939,3 0.997,4 1.995,5 1.213,6 -0.002,7 2.758,8 6.569,9 6.569,10 17.293,11 5.746,12 3.535,13 5.679,14 51.737,15 19.48,16 64.67,17 5.044,18 2.167,19 1.196,20 1.196,21 2.71,22 16,23 0.366,24 3.976,25 17.135,26 2.09,27 0.866,28 40.9,29 3,30 2.037,31 0.654,32 17,33 19,34 13,35 10.165,36 5.715,37 5.851,38 6.205,39 6.423,40 6.696,41 6.97,42 17,43 4.019,44 4.051,45 3.961,46 2.061,47 2.071,48 17,49 4.322,50 35.163,51 3.623,52 4.421,53 4.673,54 20.059,55 1,56 10.412,57 12.055,58 13.185,59 14.702,60 15.941,61 17.392,62 18.692,63 20.109,64 21.442,65 1.46,66 0.819,67 0.556,68 0.712,69 3.732,70 1.902,71 3.635,72 1.069,73 1.974,74 0.688,75 0.625,76 0.874,77 1.155,78 0.958,79 0.341,80 4.547,81 4.728,82 3.857,83 3.817,84 4.686,85 4.908,86 4.523,87 3.503,88 3.458,89 3.398,90 3.369,91 7.479,92 1.166,93 18.17,94 9.599,95 24.46,96 9.378,97 18.967,98 0.909,99 4.624,100 15.274,101 0.961,102 17.429,103 0.67,104 1.518,105 0.308,106 1.181,107 0.218,108 48.054,109 0.449,110 6.401,111 0.153,112 5.813,113 3.737,114 2.386,115 0.023,116 1,117 11,118 7.964,119 0.607,120 3.893,121 4.022,122 4.371,123 4.552,124 4.249,125 4.474,126 0.711,127 7.877,128 3.532,129 4.518,130 1.051,131 15.017,132 0.796,133 15.266,134 6.526,135 0.587,136 0.68,138 3,141 10.404,142 3.81,143 2.041,144 1.501,145 1,146 1,147 1,148 3.991,149 27.533,150 4.956,151 0.707,152 0.821,153 0.771,154 0.825,155 0.829,157 1,158 3.418,159 1,160 1,161 240.215,162 0.307,163 0.156,164 -0.155,165 13.6,166 1,167 3,168 3,169 1,170 44,171 46,173 3,174 1,175 18,176 1,177 8.583,178 2.408,179 0.966,180 5.396,181 200.109,182 50.29,183 250.399,184 200.109,185 200.109,186 50.29,187 200.109,188 49.744,189 200.109,190 200.109,191 22.971,192 200.109,193 0.578,194 4,195 17.773,196 7.894,197 4.152,198 448.104,199 44.567,200 49.9,201 0.626,202 0.725,203 0.824,204 3.991,205 29.512,206 6.991,207 1.492,208 1.489,209 2.916,210 3.009,211 2.779,212 2.874,213 2.97,214 2.703,215 2.713,216 0.143,217 3.991,218 1.197,219 1.904,220 0.971,221 1.905,222 0.907,223 1.861,224 0.949,225 0.878,226 1.189,227 0.252,228 0.934,229 0.821,230 1.096,231 1.13,232 0.043,234 28.719,235 44.461,236 92,237 180.737,238 307.36,239 432.757,240 14.456,241 7.839,242 7.607,243 7.986,244 5.311,245 9.487,246 0.174,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 15,255 3,256 85.286,257 120.616,258 25.967,259 28.283,260 30.56,261 32.87,262 0.043,263 3.885,264 1.134,265 -0.025,266 1.562,267 4.048,268 81.512,269 1.863,270 3.831,271 3.766,272 3.75,273 3.714,274 0.386,275 0.41,276 19,277 25.222,278 1.438,279 7.588,280 1,281 2.398,282 4.595,283 0.447,284 3.674,285 1,286 21.381,287 23.72,288 0.292,289 5.95,290 5.747,291 4.727,292 4.54,293 7.014,294 5.385,295 7.975,296 2.954,297 4.954,298 2.954,299 0.773,302 50.29,303 27.345,304 38,305 2,306 1.987,307 3.247,308 2,309 1,310 2.136,311 1,312 2.045,313 3,314 0.687,315 3.664,316 5.727,317 6.583,318 3.676,319 38.5,320 4.885,321 5.7,322 4.344,323 4.302,324 5.82,325 1,326 2.136,327 56.002,328 116.275,329 1.745,330 150.401,331 9.314,332 9.314,333 5.417,334 5.417,335 153,336 1.626,337 177.167,338 0.089,339 0.82,340 4.153,341 0.121,342 1.018,343 0.473,344 0.859,345 3,346 3.965,347 0.081,348 0.315,349 3.276,350 3.768,351 3.768,352 2,353 0.138,354 79.65,355 19.198,356 15.106,357 16.211,358 1.809,359 0.076,360 3.417,361 3.798,362 3.762,363 4.764,364 3.685,365 1.103,366 6.315,367 8.704,368 6.242,369 8.85,370 3.958,371 0.06,372 3.958,373 1.682,374 1.415,375 2.192,376 4.804,377 0.283,378 -4.05,379 -4,380 -3.79,381 2.824,382 7.977,383 3.61,384 6.622,385 4.389,386 4.389,387 3.797,388 0.921,389 5.555,390 5.775,391 5.457,392 19.69,393 0.689,394 1.205,396 10,397 4,398 1,399 1,400 2.699,401 1,402 -0.406,403 0.626,404 1.136,405 4.393,406 1,407 0.112,408 0.103,409 4,410 6,411 2,413 72.656,414 72.656,415 0.087,416 2.699,417 7.431,418 7.427,419 3.416,420 3.078,421 1.141,422 1.098,423 1.478,424 0.469,425 1.239,426 1.263,427 3.197,428 209.95,429 212.705,430 104,431 3.971,432 7.603,433 7.063,434 5.276,435 0.581,436 3.872,437 1.053,438 1.053,439 13.123,440 0.208,441 0.33,442 0.557,443 23.241,444 3.456,445 6.581,446 2.843,447 3.835,448 0.127,449 147.807,450 125.05,451 125.05,452 125.05,454 1.534,455 174.176,456 197.95,457 0.19,458 0.917,459 7.141,460 2.535,461 1.514,462 46.937,463 -0.031,464 1.342,465 3.75,466 3.733,467 5.504,468 7.247,469 10.403,470 13.876,471 1.256,472 1.524,473 2.907,474 100.564,475 0.98,476 0.92,477 1.65,478 1,480 3.562,481 1.081,482 1.228,483 16.5,485 1.65,490 2.187,491 1.305,492 2.666,493 2.419,494 3.413,495 3.517,496 4.296,497 4.595,498 5.253,499 5.656,500 6.249,501 6.706,502 7.264,503 7.75,504 7.517,505 3.982,506 -0.064,507 17.466,508 17.466,509 17.466,510 17.466,511 17.466,512 17.701,513 -1.166,514 -1.166,515 1.367,516 1.417,517 1.308,518 12.559,519 11.964,520 12.559,521 4.312,522 3.455,523 4.807,524 106.98,525 6.469}
{0 CHEMBL520034,1 0.886,2 11.396,3 1.189,4 1.995,5 1.213,6 -0.002,7 2.781,8 6.308,9 6.308,10 17.043,11 5.656,12 3.461,13 5.47,14 45.694,15 15.387,16 34.607,17 4.985,18 2.119,19 1.134,20 1.134,21 2.687,22 16,23 0.334,24 3.969,25 17.168,26 2.09,27 0.845,28 40.9,29 3,30 2.037,31 0.654,32 17,33 19,34 13,35 10.088,36 5.726,37 5.879,38 6.199,39 6.421,40 6.706,41 6.951,42 17,43 4.018,44 4.048,45 3.96,46 2.061,47 2.071,48 17,49 4.322,50 34.286,51 3.562,52 4.293,53 4.507,54 18.262,55 1,56 10.343,57 11.991,58 13.084,59 14.602,60 15.809,61 17.257,62 18.53,63 19.94,64 21.251,65 1.461,66 0.835,67 0.556,68 0.712,69 3.732,70 1.902,71 3.584,72 0.977,73 1.974,74 0.688,75 0.625,76 0.874,77 1.113,78 0.958,79 0.336,80 4.539,81 4.723,82 3.835,83 3.792,84 4.643,85 4.867,86 4.463,87 3.457,88 3.415,89 3.347,90 3.305,91 7.395,92 1.15,93 18.195,94 9.522,95 23.536,96 9.006,97 17.905,98 0.851,99 4.463,100 15.249,101 0.961,102 17.181,103 0.661,104 1.519,105 0.303,106 1.187,107 0.218,108 46.314,109 0.448,110 6.4,111 0.153,112 5.802,113 3.648,114 2.306,115 0.022,116 1,117 11.731,118 7.964,119 0.607,120 3.893,121 4.022,122 4.373,123 4.555,124 4.309,125 4.572,126 0.711,127 7.877,128 3.532,129 4.518,130 1.054,131 15.073,132 0.804,133 17.795,134 6.779,135 0.587,136 0.68,138 3,141 10.422,142 3.81,143 2.041,144 1.501,145 1,146 1,147 1,148 3.961,149 27.533,150 4.978,151 0.707,152 0.862,153 0.772,154 0.837,155 0.833,157 1,158 3.418,159 1,160 1,161 240.215,162 0.267,163 0.136,164 -0.164,165 13.6,166 1,167 3,168 3,169 1,170 44,171 46,173 3,174 1,175 18,176 1,177 8.583,178 2.408,179 0.966,180 5.396,181 200.109,182 50.29,183 250.399,184 200.109,185 200.109,186 50.29,187 202.437,188 49.867,189 200.109,190 200.109,191 22.971,192 200.109,193 0.579,194 4,195 17.773,196 7.894,197 4.338,198 448.104,199 44.567,200 49.9,201 0.626,202 0.725,203 0.824,204 3.961,205 29.512,206 6.961,207 1.492,208 1.489,209 2.935,210 3.009,211 2.814,212 2.874,213 2.986,214 2.735,215 2.715,216 0.141,217 3.961,218 1.197,219 1.903,220 0.964,221 1.889,222 0.855,223 1.853,224 0.958,225 0.91,226 1.193,227 0.243,228 0.934,229 0.821,230 1.095,231 1.13,232 0.078,234 28.719,235 44.599,236 94,237 180.737,238 307.36,239 432.757,240 14.456,241 7.839,242 7.607,243 7.986,244 5.292,245 9.455,246 0.166,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 15,255 3,256 85.286,257 120.616,258 25.39,259 27.64,260 29.837,261 32.074,262 0.088,263 3.873,264 1.134,265 -0.024,266 1.498,267 4.027,268 81.512,269 1.876,270 3.765,271 3.721,272 3.681,273 3.657,274 0.387,275 0.432,276 19,277 25.473,278 1.41,279 7.553,280 1,281 2.398,282 4.595,283 0.376,284 3.674,285 1,286 20.943,287 23.225,288 0.294,289 5.877,290 5.676,291 4.675,292 4.447,293 6.717,294 4.856,295 6.78,296 2.951,297 4.951,298 2.951,299 0.773,302 50.29,303 24.895,304 38,305 2,306 2.043,307 3.247,308 1.824,309 0.823,310 1.902,311 0.816,312 2.065,313 3.136,314 0.747,315 3.664,316 5.72,317 6.572,318 3.676,319 38.5,320 4.885,321 5.694,322 4.344,323 4.304,324 5.82,325 0.823,326 1.902,327 55.993,328 115.809,329 1.744,330 150.401,331 9.284,332 9.284,333 5.322,334 5.322,335 152,336 1.572,337 183.965,338 0.086,339 0.82,340 4.136,341 0.122,342 0.983,343 0.252,344 1.142,345 3,346 3.964,347 0.081,348 0.315,349 3.27,350 3.741,351 3.741,352 2,353 0.138,354 79.495,355 18.843,356 14.903,357 15.988,358 1.796,359 0.076,360 3.446,361 3.756,362 3.701,363 4.665,364 3.627,365 1.045,366 5.716,367 8.027,368 5.993,369 8.37,370 3.873,371 0.06,372 3.873,373 1.676,374 1.466,375 2.283,376 5.211,377 0.283,378 -4.05,379 -4,380 -3.79,381 2.824,382 7.977,383 3.7,384 6.969,385 4.318,386 4.318,387 3.799,388 0.917,389 5.574,390 5.806,391 5.559,392 21.187,393 0.621,394 1.152,396 10,397 4,398 1,399 1,400 2.683,401 1,402 -0.418,403 0.626,404 1.139,405 4.393,406 1,407 0.112,408 0.093,409 4,410 6,411 2,413 72.656,414 72.656,415 0.087,416 2.683,417 7.431,418 7.427,419 3.424,420 3.078,421 1.128,422 1.075,423 1.528,424 0.469,425 1.239,426 1.283,427 3.18,428 209.95,429 212.705,430 109,431 3.968,432 7.563,433 7.056,434 5.195,435 0.581,436 3.857,437 1,438 1,439 13.344,440 0.197,441 0.317,442 0.52,443 23.241,444 3.543,445 6.581,446 2.883,447 3.838,448 0.098,449 148.14,450 125.05,451 125.05,452 125.05,454 1.528,455 174.176,456 197.95,457 0.193,458 0.924,459 6.949,460 2.5,461 1.5,462 45.397,463 -0.031,464 1.335,465 3.742,466 3.728,467 5.411,468 7.158,469 10.358,470 13.85,471 1.236,472 1.465,473 2.969,474 97.938,475 1.075,476 1.004,477 1.65,478 1,480 3.563,481 1.081,482 1.229,483 16.5,485 1.65,490 2.187,491 1.305,492 2.666,493 2.419,494 3.413,495 3.517,496 4.296,497 4.595,498 5.253,499 5.656,500 6.249,501 6.706,502 7.264,503 7.75,504 7.517,505 3.985,506 -0.064,507 17.413,508 17.413,509 17.413,510 17.413,511 17.413,512 17.649,513 -1.166,514 -1.166,515 1.417,516 1.417,517 1.308,518 12.542,519 11.956,520 12.542,521 4.287,522 3.456,523 4.795,524 106.857,525 5}
{0 CHEMBL520494,3 1.397,4 1.925,5 1.427,6 -0.061,7 0.958,8 6.567,9 6.567,10 17.325,11 6.424,12 4.294,13 6.438,14 97.215,15 59.466,16 85.531,17 5.199,18 2.535,19 1.544,20 1.544,21 3.185,22 24,23 0.267,24 3.936,25 9.615,26 2.084,27 0.647,28 36,29 1,30 1.967,31 0.263,32 6,33 9,34 6,35 7.976,36 4.987,37 4.889,38 5.043,39 5.242,40 5.291,41 5.186,42 10,43 3.979,44 4.012,45 3.875,46 2.054,47 2.056,48 10,49 3.322,50 35.207,51 4.424,52 5.542,53 5.8,54 57.497,55 0.5,56 9.316,57 10.925,58 11.785,59 13.276,60 14.242,61 15.665,62 16.698,63 18.075,64 19.154,65 1.35,66 1.255,67 0.627,68 0.722,69 4.179,70 1.869,71 4.297,72 2.33,73 1.896,74 1.335,75 0.983,76 0.794,77 1.516,78 2.463,79 0.296,80 5.449,81 5.728,82 4.517,83 4.346,84 5.478,85 5.747,86 5.485,87 4.581,88 4.448,89 4.594,90 4.453,91 21.802,92 2.238,93 52.683,94 27.866,95 54.998,96 27.636,97 56.306,98 2.394,99 20.13,100 25.007,101 1.865,102 50.852,103 1.338,104 1.387,105 1.142,106 1.709,107 0.892,108 159.052,109 0.476,110 12.43,111 0.231,112 10.87,113 7.632,114 5.193,115 0.049,117 15.421,118 5.953,119 0.154,120 4.509,121 4.644,122 5.115,123 5.324,124 5.552,125 5.805,126 1.156,127 21.914,128 9.47,129 13.064,130 1.83,131 39.184,132 2.421,133 60.177,134 29.133,135 0.396,136 0.567,137 17,139 20,140 21,141 17.486,142 5.179,143 3.866,144 2.741,147 0.5,148 3.471,149 46.133,150 13.601,151 1.036,152 1.33,153 1.106,154 1.331,155 1.289,156 34,158 2.61,161 576.34,162 -0.158,163 -0.176,164 0.028,165 1.1,170 89,171 90,172 20,173 23,175 51,176 17,177 15.667,178 6.597,179 0.896,180 17.1,181 588.555,182 97.435,183 685.99,184 576.784,185 588.555,186 97.435,187 517.928,189 588.555,190 588.555,191 60.655,192 588.555,193 0.533,194 23,195 32.342,196 20.092,197 13.171,198 840.683,199 87.828,200 100.925,201 0.403,202 0.577,203 0.712,204 3.471,205 54.313,206 6.471,207 1.375,208 1.373,209 3.521,210 3.59,211 3.354,212 3.375,213 3.455,214 3.212,215 3.188,216 0.089,217 3.471,218 1.46,219 2.059,220 1.423,221 2.027,222 1.341,223 2.008,224 1.525,225 1.461,226 1.739,227 1.007,228 1.401,229 1.323,230 1.61,231 1.651,232 18.014,233 11.505,234 49.765,235 101.261,236 286,237 312.15,238 565.65,239 753.405,240 23.836,241 15.108,242 14.777,243 15.231,244 4.697,245 8.655,246 0.155,247 5,248 10.5,249 5,250 1,251 5,252 2,253 2,254 9,255 2,256 47.381,257 75.945,258 25.914,259 28.258,260 30.556,261 32.891,262 0.012,263 3.827,264 1.134,265 0.052,266 1.761,267 4.235,269 1.975,270 4.184,271 4.361,272 4.261,273 4.388,274 0.497,275 0.843,276 61,277 41.156,278 2.188,279 6.806,283 0.837,284 5.568,285 0.5,286 21.283,287 23.652,288 0.313,289 6.298,290 6.436,291 5.745,292 5.503,293 19.04,294 19.872,295 28.787,296 3,297 5,298 3,299 0.7,300 4,301 1,302 168.061,303 78.748,304 47,305 4,306 2.387,307 3.579,308 2.307,309 1.317,310 2.896,311 1.296,312 2.351,313 3.305,314 1.345,315 3.871,316 5.938,317 6.753,318 3.829,319 45,320 5.014,321 5.838,322 4.554,323 4.513,324 5.915,325 1.317,326 2.896,327 60.57,328 134.35,329 1.845,330 232.251,331 11.284,332 11.284,333 6.317,334 6.317,335 189,336 1.82,337 168.213,338 0.082,339 0.781,340 3.445,341 0.135,342 1.453,343 0.744,344 1.329,345 1,346 3.88,347 0.089,348 0.194,349 3.525,350 3.932,351 3.932,352 1,353 0.111,354 115.448,355 19.095,356 15.103,357 16.228,358 2.054,359 0.136,360 3.605,361 4.514,362 4.519,363 5.759,364 4.552,365 2.263,366 18.617,367 27.147,368 19.06,369 27.776,370 3.34,371 0.029,372 3.34,373 1.995,374 1.885,375 8.796,376 77.373,377 0.197,378 -6.98,379 -6.78,380 -6.28,381 5.752,382 33.086,383 4.073,384 9.176,385 4.214,386 4.214,387 3.865,388 1.106,389 5.978,390 6.177,391 6.493,392 47.892,393 0.672,394 2.243,395 3,396 14,397 14,398 17,399 0.5,400 3.527,401 1.514,402 0.936,403 0.518,404 0.973,405 4.932,406 0.63,407 0.005,408 -0.17,409 1,410 1,411 5,412 2,413 18.011,414 18.011,415 0.256,416 3.527,417 7.456,418 7.434,419 3.727,420 3.524,421 1.676,422 1.616,423 1.856,424 1.232,425 1.725,426 1.748,427 4.414,428 457.528,429 488.831,430 190,431 3.893,432 4.982,433 6.561,434 5.214,435 0.693,436 4.126,437 1.444,438 1.444,439 19.698,440 0.231,441 0.37,442 0.613,443 61.098,444 3.866,446 3.49,447 4.085,448 0.248,449 188.334,450 136.682,451 136.682,452 136.682,453 1,454 1.449,455 332.412,456 410.317,457 0.202,458 0.921,459 8.636,460 2.737,461 1.722,462 117.712,463 -0.008,464 1.803,465 4.377,466 4.244,467 15.325,468 19.156,469 17.014,470 22.778,471 1.835,472 3.499,473 3.335,474 150.862,475 1.582,476 1.538,477 1.297,478 5,479 122.244,480 3.838,481 2.443,482 1.846,483 21.75,484 2,485 1.297,486 1,487 1,488 4,489 2,490 3.172,491 2.882,492 4.579,493 4.982,494 6.22,495 6.893,496 7.95,497 8.741,498 9.717,499 10.563,500 11.5,501 12.373,502 13.291,503 14.178,504 13.302,505 3.808,506 -0.043,507 26.148,508 26.148,509 26.148,510 26.148,511 26.148,512 26.402,513 1.609,514 1.609,515 1.68,516 1.929,517 1.797,518 18.583,519 18.054,520 18.583,521 4.043,522 3.089,523 4.404,524 76.027,525 4.602}
{0 CHEMBL521038,1 0.885,2 11.364,3 1.009,4 1.994,5 1.213,6 -0.002,7 2.913,8 6.308,9 6.308,10 16.996,11 5.525,12 3.405,13 5.341,14 41.866,15 13.471,16 24.797,17 4.961,18 2.074,19 1.084,20 1.084,21 2.687,22 16,23 0.333,24 3.969,25 17.242,26 2.09,27 0.841,28 40.9,29 3,30 2.037,31 0.654,32 17,33 19,34 13,35 10.026,36 5.703,37 5.887,38 6.225,39 6.418,40 6.7,41 6.994,42 17,43 4.016,44 4.047,45 3.959,46 2.06,47 2.07,48 17,49 4.322,50 34.161,51 3.468,52 4.169,53 4.385,54 17.69,55 1,56 10.336,57 11.982,58 13.068,59 14.583,60 15.782,61 17.227,62 18.491,63 19.897,64 21.199,65 1.46,66 0.834,67 0.556,68 0.712,69 3.695,70 1.902,71 3.47,72 0.907,73 1.973,74 0.807,75 0.807,76 0.852,77 1.071,78 0.958,79 0.336,80 4.539,81 4.723,82 3.835,83 3.792,84 4.643,85 4.867,86 4.46,87 3.35,88 3.32,89 3.261,90 3.255,91 7.395,92 1.15,93 18.195,94 9.522,95 23.477,96 9.004,97 18.411,98 0.765,99 3.648,100 15.249,101 1.131,102 17.006,103 0.654,104 1.517,105 0.315,106 1.181,107 0.218,108 45.954,109 0.448,110 6.399,111 0.153,112 5.798,113 3.67,114 2.28,115 0.022,116 1,117 12.423,118 7.964,119 0.607,120 3.893,121 4.022,122 4.373,123 4.555,124 4.214,125 4.459,126 0.711,127 7.877,128 3.532,129 4.518,130 1.054,131 15.073,132 0.74,133 15.782,134 5.412,135 0.587,136 0.663,138 3,141 10.416,142 3.81,143 2.041,144 1.598,145 1,146 1,147 1,148 3.926,149 27.533,150 4.978,151 0.707,152 0.862,153 0.772,154 0.837,155 0.833,157 1,158 3.418,159 1,160 1,161 240.215,162 0.267,163 0.136,164 -0.164,165 13.6,166 1,167 3,168 3,169 1,170 44,171 46,173 3,174 1,175 18,176 1,177 8.583,178 2.408,179 0.966,180 5.396,181 200.109,182 50.29,183 250.399,184 200.109,185 200.109,186 50.29,187 202.437,188 49.867,189 200.109,190 200.109,191 22.971,192 200.109,193 0.58,194 4,195 17.773,196 7.894,197 4.338,198 448.104,199 44.567,200 49.9,201 0.626,202 0.707,203 0.793,204 3.926,205 29.512,206 6.926,207 1.49,208 1.488,209 2.874,210 3.009,211 2.707,212 2.854,213 2.925,214 2.735,215 2.715,216 0.14,217 3.926,218 1.195,219 1.904,220 0.968,221 1.892,222 0.854,223 1.853,224 0.934,225 0.821,226 1.194,227 0.218,228 0.886,229 0.821,230 1.062,231 1.107,232 0.083,234 28.719,235 44.759,236 100,237 180.737,238 307.36,239 432.757,240 14.456,241 7.839,242 7.607,243 7.986,244 5.281,245 9.453,246 0.163,247 9,248 19,249 9,250 2,251 9,252 3,253 3,254 15,255 3,256 85.286,257 120.616,258 25.313,259 27.55,260 29.736,261 31.96,262 0.092,263 3.874,264 1.134,265 -0.024,266 1.498,267 4.024,268 85.091,269 1.879,270 3.746,271 3.708,272 3.595,273 3.603,274 0.387,275 0.406,276 19,277 25.105,278 1.41,279 7.553,280 1,281 2.398,282 4.595,283 0.407,284 3.674,285 1,286 20.889,287 23.158,288 0.294,289 5.887,290 5.641,291 4.684,292 4.386,293 6.716,294 4.298,295 6.14,296 2.915,297 4.915,298 2.915,299 0.744,302 50.29,303 24.895,304 38,305 1,306 2.043,307 3.247,308 1.828,309 0.828,310 1.911,311 0.82,312 2.065,313 3.139,314 0.748,315 3.664,316 5.72,317 6.569,318 3.676,319 38.5,320 4.885,321 5.694,322 4.344,323 4.304,324 5.82,325 0.828,326 1.911,327 55.957,328 115.721,329 1.748,330 150.401,331 9.345,332 9.345,333 5.166,334 5.166,335 152,336 1.571,337 195.057,338 0.082,339 0.799,340 4.133,341 0.124,342 0.903,343 0.188,344 0.883,345 3,346 3.963,347 0.081,348 0.315,349 3.268,350 3.741,351 3.741,352 2,353 0.138,354 79.495,355 18.796,356 14.868,357 15.948,358 1.796,359 0.076,360 3.445,361 3.747,362 3.663,363 4.621,364 3.549,365 1.018,366 5.681,367 8.065,368 5.783,369 8.31,370 3.873,371 0.06,372 3.873,373 1.673,374 1.466,375 2.283,376 5.211,377 0.283,378 -4.05,379 -4,380 -3.79,381 2.824,382 7.977,383 3.786,384 7.343,385 4.297,386 4.297,387 3.803,388 0.976,389 5.574,390 5.808,391 5.556,392 21.187,393 0.617,394 1.148,396 10,397 4,398 1,399 1,400 2.627,401 1,402 -0.314,403 0.626,404 1.139,405 4.239,406 1,407 0.112,408 0.093,409 4,410 6,411 2,413 72.656,414 72.656,415 0.087,416 2.627,417 7.431,418 7.427,419 3.42,420 3.085,421 1.129,422 1.082,423 1.528,424 0.469,425 1.239,426 1.276,427 3.179,428 204.705,429 204.705,430 115,431 3.966,432 7.563,433 7.056,434 5.172,435 0.581,436 3.857,437 1,438 1,439 13.426,440 0.187,441 0.305,442 0.485,443 23.241,444 3.603,445 6.581,446 2.892,447 3.838,448 0.099,449 148.14,450 125.05,451 125.05,452 125.05,454 1.529,455 169.911,456 190.441,457 0.195,458 0.924,459 6.923,460 2.5,461 1.5,462 49.978,463 -0.031,464 1.328,465 3.742,466 3.728,467 5.411,468 7.158,469 10.314,470 13.85,471 1.232,472 1.43,473 3.113,474 97.938,475 1.081,476 1.006,477 1.65,478 1,480 3.561,481 1.081,482 1.132,483 16.5,485 1.65,490 2.187,491 1.305,492 2.666,493 2.419,494 3.413,495 3.517,496 4.296,497 4.595,498 5.253,499 5.656,500 6.249,501 6.706,502 7.264,503 7.75,504 7.517,505 4.032,506 -0.064,507 17.413,508 17.413,509 17.413,510 17.413,511 17.413,512 17.649,513 -0.886,514 -0.886,515 1.415,516 1.417,517 1.308,518 12.542,519 11.956,520 12.542,521 4.276,522 3.507,523 4.795,524 106.857,525 5}
{0 CHEMBL521157,3 1.19,4 1.881,5 1.57,6 -0.093,8 6.567,9 6.567,10 17.436,11 6.366,12 4.175,13 6.317,14 98.658,15 56.012,16 67.75,17 5.199,18 2.454,19 1.458,20 1.458,21 3.183,22 18,23 0.297,24 3.874,26 2.083,27 0.628,28 33,30 1.888,31 0.114,33 3,35 6.97,36 4.248,37 4.277,38 4.344,39 4.477,40 4.419,41 4.454,42 4,43 3.962,44 3.995,45 3.816,46 2.053,47 2.055,48 4,49 2,50 35.4,51 4.351,52 5.508,53 5.775,54 55.369,55 0.67,56 9.016,57 10.328,58 11.398,59 12.629,60 13.773,61 14.976,62 16.148,63 17.343,64 18.527,65 1.33,66 1.314,67 0.658,68 0.74,69 4.176,70 1.765,71 4.16,72 2.14,73 1.847,74 1.367,75 1.012,76 0.788,77 1.438,78 3.263,79 0.302,80 5.447,81 5.735,82 4.478,83 4.299,84 5.502,85 5.779,86 5.53,87 4.546,88 4.387,89 4.568,90 4.404,91 21.231,92 2.103,93 51.348,94 26.731,95 55.385,96 27.161,97 57.764,98 2.239,99 19.43,100 23.404,101 2.079,102 52.259,103 1.493,104 1.371,105 1.142,106 1.648,107 0.879,108 206.916,109 0.485,110 11.916,111 0.25,112 10.491,113 7.51,114 4.815,115 0.055,117 15.143,118 5.634,120 4.485,121 4.629,122 5.111,123 5.337,124 5.57,125 5.844,126 1.123,127 22.172,128 9.24,129 12.994,130 1.735,131 38.977,132 2.313,133 59.328,134 29.038,135 0.333,136 0.518,137 17,139 17,140 17,141 16.418,142 5.183,143 4.29,144 3.088,147 0.5,148 3.341,149 44.633,150 13.982,151 1.114,152 1.373,153 1.109,154 1.37,155 1.315,156 42,158 2.169,161 568.43,162 -0.16,163 -0.172,164 0.034,165 1.1,170 88,171 88,172 20,173 26,175 53,176 17,177 16.083,178 6.806,179 0.869,180 18.271,181 612.097,182 97.435,183 709.532,184 600.326,185 612.097,186 97.435,187 553.242,189 612.097,190 612.097,191 57.47,192 612.097,193 0.532,194 23,195 31.939,196 20.022,197 13.143,198 831.308,199 86.712,200 100.341,201 0.336,202 0.522,203 0.678,204 3.341,205 52.075,206 5.341,207 1.359,208 1.356,209 3.434,210 3.5,211 3.279,212 3.372,213 3.452,214 3.177,215 3.174,216 0.095,217 3.341,218 1.46,219 2.059,220 1.423,221 2.009,222 1.342,223 1.978,224 1.41,225 1.338,226 1.722,227 1.007,228 1.362,229 1.294,230 1.607,231 1.635,232 18.593,233 11.429,234 47.292,235 125.51,236 253,237 299.548,238 544.93,239 722.658,240 23.026,241 14.462,242 14.064,243 14.585,244 4.22,245 8.135,246 0.154,248 4.5,252 1,253 1,254 3,255 1,257 25.378,258 26.112,259 28.456,260 30.755,261 33.087,262 0.019,263 3.727,264 1.14,265 0.07,266 1.735,267 4.231,269 1.963,270 4.166,271 4.344,272 4.178,273 4.346,274 0.515,275 0.903,276 116,277 40.116,278 2.5,279 6.594,283 0.979,284 5.788,285 0.67,286 21.468,287 23.841,288 0.316,289 6.318,290 6.474,291 5.798,292 5.486,293 18.142,294 18.873,295 27.986,296 3.001,297 4.981,298 3.001,299 0.673,300 3,301 1,302 156.29,303 96.399,304 42,305 2,306 2.352,307 3.305,308 2.223,309 1.23,310 2.452,311 1.212,312 1.93,313 3,314 0.863,315 3.761,316 5.826,317 6.642,318 3.664,319 38,320 4.86,321 5.74,322 4.443,323 4.397,324 5.817,325 1.23,326 2.452,327 50.312,328 120.136,329 1.762,330 190.895,331 10.187,332 10.187,333 5.107,334 5.107,335 169,336 1.786,338 0.076,339 0.782,340 3.432,341 0.137,342 1.302,343 0.668,344 1.153,346 3.813,347 0.091,348 0.211,349 3.497,350 3.933,351 3.933,353 0.181,354 105.807,355 19.258,356 15.203,357 16.329,358 2.01,359 0.15,360 3.549,361 4.501,362 4.492,363 5.749,364 4.501,365 2.141,366 17.851,367 26.725,368 17.909,369 26.604,370 3.203,371 0.019,372 3.203,373 1.99,374 1.885,375 8.54,376 72.923,377 0.196,378 -6.67,379 -6.49,380 -6.01,381 5.44,382 29.594,383 4.023,384 8.79,385 4.214,386 4.214,387 3.85,388 1.044,389 5.924,390 6.143,391 6.438,392 47.275,393 0.693,394 2.165,395 3,396 13,397 16,398 16,399 0.5,400 3.288,401 1.427,402 0.753,403 0.507,404 0.982,405 4.901,406 0.63,407 0.007,408 -0.158,410 1,411 5,412 2,413 18.011,414 18.011,415 0.261,416 3.288,417 7.456,418 7.434,419 3.726,420 3.524,421 1.676,422 1.616,423 1.856,424 1.254,425 1.653,426 1.664,427 8.354,428 448.107,429 479.41,430 167,431 3.87,432 2.995,433 6.163,434 5.214,435 0.702,436 4.075,437 1.385,438 1.385,439 22.031,440 0.328,441 0.527,442 0.871,443 61.098,444 3.807,446 3.377,447 3.996,448 0.244,449 170.334,450 103.766,451 103.766,452 103.766,453 1,454 1.467,455 296.662,456 385.455,457 0.204,458 0.907,459 7.528,460 2.622,461 1.588,462 129.382,463 -0.03,464 1.746,465 4.319,466 4.172,467 14.62,468 17.989,469 15.355,470 20.99,471 1.834,472 3.087,473 3.294,474 139.84,475 1.552,476 1.489,477 1.277,478 5,479 114.44,480 3.852,481 2.443,482 1.688,483 19.75,484 2,485 1.277,486 1,487 1,488 5,489 2,490 3.172,491 2.882,492 4.579,493 4.982,494 6.22,495 6.893,496 7.95,497 8.741,498 9.717,499 10.563,500 11.5,501 12.373,502 13.291,503 14.178,504 13.302,505 3.465,506 -0.071,507 23.794,508 23.794,509 23.794,510 23.794,511 23.794,512 24.045,513 0.958,514 0.958,515 1.67,516 1.928,517 1.777,518 16.976,519 16.449,520 16.976,521 4.065,522 2.477,523 4.06,524 46.296,525 7.796}
{0 CHEMBL521191,1 1.239,2 11.156,3 0.97,4 1.924,5 1.337,6 -0.046,7 1.78,8 6.568,9 6.568,10 16.838,11 5.147,12 2.943,13 4.958,14 29.771,15 11.791,16 20.173,17 5.011,18 1.507,19 0.502,20 0.502,21 2.499,22 9,23 0.54,24 3.9,25 10.041,26 2.059,27 0.814,28 36.4,29 1,30 1.994,31 0.611,32 11,33 12,34 7,35 8.072,36 4.988,37 4.926,38 5.081,39 5.335,40 5.645,41 5.922,42 11,43 3.97,44 4.029,45 3.866,46 2.015,47 2.03,48 11,49 3.7,50 34.914,51 3.085,52 3.919,53 4.195,54 13.683,55 1,56 9.873,57 11.51,58 12.626,59 14.136,60 15.367,61 16.812,62 18.105,63 19.518,64 20.847,65 1.428,66 0.469,67 0.58,68 0.72,69 3.47,70 1.862,71 3.05,72 0.638,73 1.893,74 0.894,75 0.894,76 0.823,77 0.496,78 1.126,79 0.329,80 4.233,81 4.443,82 3.464,83 3.397,84 4.382,85 4.645,86 4.15,87 2.985,88 2.917,89 2.8,90 2.733,91 6.139,92 0.797,93 14.672,94 7.463,95 19.399,96 7.251,97 14.448,98 0.518,99 2.527,100 10.595,101 0.978,102 11.795,103 0.655,104 1.499,105 0.218,106 0.853,108 26.658,109 0.457,110 4.574,111 0.167,112 4.17,113 2.578,114 1.6,115 0.027,117 8,118 7.434,119 0.579,120 3.596,121 3.739,122 4.092,123 4.304,124 3.754,125 4.028,126 0.525,127 6.786,128 2.653,129 3.741,130 0.753,131 12.77,132 0.41,133 10.273,134 4.075,135 0.602,136 0.696,137 2,138 3,141 7.173,142 3.431,143 1.831,144 1.33,145 1,146 1,147 1,148 3.989,149 19.867,150 3.846,151 0.753,152 0.835,153 0.779,154 0.867,155 0.864,156 2,157 1,158 3.213,159 1,160 1,161 166.465,162 0.295,163 0.142,164 -0.211,165 15.2,166 1,167 3,168 3,169 1,170 33,171 34,172 2,173 4,174 1,175 15,176 2,177 6.583,178 1.873,179 0.932,180 3.927,181 176.567,182 25.145,183 201.711,184 176.567,185 176.567,186 25.145,187 176.567,188 49.744,189 176.567,190 176.567,191 14.858,192 176.567,193 0.57,194 3,195 12.558,196 5.629,197 3.077,198 335.389,199 33.254,200 37.777,201 0.637,202 0.736,203 0.806,204 3.989,205 21.29,206 6.989,207 1.473,208 1.468,209 2.844,210 2.877,211 2.543,212 2.698,213 2.78,214 2.41,215 2.464,216 0.21,217 3.989,218 1.249,219 1.813,220 0.934,221 1.871,222 0.839,223 1.703,224 0.886,225 0.804,226 1.055,227 0.061,228 0.629,229 0.539,230 0.925,231 0.928,232 1.443,234 20.456,235 31.029,236 48,237 131.495,238 217.59,239 312.608,240 10.445,241 5.598,242 5.403,243 5.711,244 4.766,245 8.969,246 0.164,247 5,248 11.5,249 5,250 1,251 5,252 2,253 2,254 8,255 2,256 47.381,257 71.635,258 25.611,259 27.956,260 30.261,261 32.596,262 0.093,263 3.798,264 1.145,265 -0.044,266 1.387,267 3.589,268 53.432,269 1.687,270 3.335,271 3.309,272 3.188,273 3.2,274 0.301,275 0.27,276 12,277 14.055,278 0.813,279 7.069,280 1,281 2.398,282 4.595,283 0.231,284 3.082,285 1,286 20.965,287 23.333,288 0.302,289 5.524,290 5.182,291 4.401,292 4.084,293 4.483,294 2.938,295 5.005,296 2.895,297 4.895,298 2.895,299 0.762,302 25.145,303 12.298,304 25,306 1.431,307 1.822,308 0.011,309 -1,310 -2,311 -0.9,312 0.39,313 1.555,314 -1.289,315 3.258,316 5.303,317 6.142,318 3.277,319 25.5,320 4.463,321 5.263,322 3.932,323 3.872,324 5.32,325 -1,326 -2,327 36.794,328 75.447,329 1.569,330 106.026,331 6.115,332 6.115,333 3.181,334 3.181,335 100,336 1.465,337 60.083,338 0.079,339 0.777,340 3.971,341 0.126,342 0.756,343 0.162,344 0.697,345 1,346 3.871,347 0.086,348 0.276,349 2.741,350 3.766,351 3.766,352 1,353 0.16,354 55.356,355 18.749,356 14.632,357 15.745,358 1.729,359 0.083,360 3.105,361 3.376,362 3.266,363 4.339,364 3.148,365 0.698,366 3.549,367 5.984,368 2.786,369 4.98,370 3.442,371 0.081,372 3.442,373 1.417,374 1.308,375 1.891,376 3.577,377 0.302,378 -3.67,379 -3.64,380 -3.47,381 2.443,382 5.968,383 3.141,384 4.926,385 4.388,386 4.388,387 3.615,388 0.948,389 5.168,390 5.352,391 4.857,392 14.374,393 0.505,394 0.779,396 3,399 1,400 1.179,401 -0.5,402 -1.295,403 0.602,404 1.219,405 3.837,406 1,407 0.233,408 0.104,409 2,410 5,411 1,413 54.645,414 54.645,415 0.088,416 1.179,417 7.429,418 5.193,419 3.009,420 2.735,421 0.934,422 0.821,423 1.266,424 0.39,425 1.062,426 1.107,427 3.343,428 136.955,429 136.955,430 52,431 3.926,432 4.836,433 6.579,434 5.233,435 0.516,436 3.419,437 0.452,438 0.452,439 8.669,440 0.294,441 0.454,442 0.818,443 8.193,444 3.026,445 6.581,446 2.687,447 3.451,448 0.025,449 99.872,450 79.032,451 79.032,452 79.032,453 0.5,454 1.517,455 122.591,456 134.2,457 0.197,458 0.954,459 4.536,460 1.739,461 0.583,462 28.607,463 -0.084,464 1.239,465 3.391,466 3.356,467 4.088,468 4.988,469 7.282,470 9.485,471 1.181,472 0.99,473 2.441,474 71.625,475 0.906,476 0.815,477 1.613,478 2,480 2.864,481 0.527,482 0.534,483 11.25,485 1.613,490 1.812,491 1.305,492 2.446,493 2.419,494 3.301,495 3.517,496 4.244,497 4.595,498 5.23,499 5.656,500 6.239,501 6.706,502 7.26,503 7.75,504 4.41,505 3.605,506 -0.143,507 12.035,508 12.035,509 12.035,510 12.035,511 12.035,512 12.238,513 -3.692,514 -3.692,515 1.028,516 1.275,517 1.212,518 8.682,519 8.22,520 8.682,521 3.896,522 2.822,523 4.319,524 69.075,525 5}
{0 CHEMBL521467,3 1.033,4 1.881,5 1.57,6 -0.093,8 6.567,9 6.567,10 17.434,11 6.374,12 4.171,13 6.309,14 99.504,15 57.239,16 63.745,17 5.199,18 2.673,19 1.671,20 1.671,21 3.184,22 17,23 0.297,24 3.872,26 2.083,27 0.824,28 33,30 1.873,31 0.114,33 3,35 6.97,36 4.263,37 4.248,38 4.344,39 4.477,40 4.419,41 4.454,42 4,43 3.961,44 3.994,45 3.815,46 2.053,47 2.055,48 4,49 2,50 35.361,51 4.367,52 5.546,53 5.828,54 56.137,55 0.67,56 9.119,57 10.407,58 11.477,59 12.695,60 13.836,61 15.032,62 16.201,63 17.391,64 18.573,65 1.363,66 1.256,67 0.664,68 0.744,69 4.176,70 1.736,71 4.151,72 2.187,73 1.847,74 1.49,75 1.134,76 0.769,77 1.669,78 3.232,79 0.29,80 5.442,81 5.725,82 4.462,83 4.288,84 5.49,85 5.77,86 5.496,87 4.563,88 4.393,89 4.568,90 4.404,91 21.116,92 2.081,93 51.57,94 26.14,95 54.58,96 26.672,97 56.315,98 2.293,99 19.43,100 22.741,101 1.995,102 53.006,103 1.514,104 1.394,105 1.142,106 1.715,107 0.879,108 209.729,109 0.48,110 11.785,111 0.25,112 10.765,113 7.075,114 4.758,115 0.055,117 15.143,118 5.634,120 4.485,121 4.629,122 5.111,123 5.338,124 5.57,125 5.844,126 1.123,127 22.172,128 9.24,129 12.994,130 1.731,131 39.015,132 2.313,133 59.328,134 29.038,135 0.33,136 0.542,137 16,139 17,140 17,141 16.426,142 5.183,143 4.309,144 2.93,147 0.5,148 3.341,149 44.633,150 13.794,151 1.114,152 1.397,153 1.066,154 1.37,155 1.294,156 40,158 2.151,161 568.43,162 -0.188,163 -0.176,164 0.008,165 1.1,170 88,171 88,172 19,173 26,175 53,176 16,177 16.5,178 6.688,179 0.869,180 17.409,181 612.097,182 97.435,183 709.532,184 612.097,185 612.097,186 97.435,187 553.242,189 612.097,190 612.097,191 59.64,192 612.097,193 0.543,194 22,195 31.939,196 19.078,197 13.698,198 831.308,199 86.712,200 100.341,201 0.333,202 0.546,203 0.691,204 3.341,205 52.075,206 5.341,207 1.388,208 1.387,209 3.488,210 3.545,211 3.339,212 3.381,213 3.459,214 3.217,215 3.194,216 0.095,217 3.341,218 1.46,219 2.059,220 1.423,221 2.009,222 1.341,223 1.965,224 1.44,225 1.381,226 1.722,227 1.007,228 1.405,229 1.329,230 1.614,231 1.655,232 17.8,233 11.42,234 47.292,235 125.527,236 253,237 299.548,238 544.93,239 722.658,240 23.242,241 14.357,242 13.892,243 14.477,244 4.22,245 8.221,246 0.148,248 4.5,252 1,253 1,254 3,255 1,257 19.087,258 26.076,259 28.419,260 30.717,261 33.049,262 -0.018,263 3.727,264 1.14,265 0.024,266 1.716,267 4.232,269 1.956,270 4.156,271 4.328,272 4.19,273 4.35,274 0.503,275 0.909,276 124,277 41.301,278 2.5,279 6.735,283 0.941,284 5.874,285 0.67,286 21.435,287 23.807,288 0.325,289 6.302,290 6.461,291 5.754,292 5.498,293 17.833,294 19.455,295 28.966,296 3.001,297 4.98,298 3.001,299 0.686,300 3,301 1,302 156.29,303 102.689,304 43,305 2,306 2.335,307 3.344,308 2.234,309 1.249,310 2.499,311 1.223,312 1.871,313 3.207,314 0.863,315 3.784,316 5.832,317 6.655,318 3.664,319 38,320 4.875,321 5.765,322 4.466,323 4.423,324 5.849,325 1.249,326 2.499,327 51.759,328 124.189,329 1.762,330 189.252,331 9.79,332 9.79,333 5.207,334 5.207,335 170,336 1.766,338 0.077,339 0.764,340 3.548,341 0.136,342 1.542,343 0.652,344 0.944,346 3.812,347 0.091,348 0.241,349 3.497,350 3.933,351 3.933,353 0.211,354 104.538,355 19.229,356 15.202,357 16.328,358 1.999,359 0.144,360 3.55,361 4.483,362 4.489,363 5.757,364 4.523,365 2.108,366 17.768,367 26.335,368 18.349,369 27.21,370 3.22,371 0.019,372 3.22,373 1.972,374 1.885,375 8.13,376 66.102,377 0.196,378 -6.67,379 -6.49,380 -6.01,381 5.44,382 29.594,383 4.023,384 8.788,385 4.214,386 4.214,387 3.843,388 1.044,389 5.946,390 6.183,391 6.44,392 48.236,393 0.7,394 2.121,395 3,396 14,397 16,398 16,399 0.5,400 3.772,401 1.343,402 0.756,403 0.507,404 0.999,405 4.786,406 0.63,407 0.007,408 -0.14,410 1,411 5,412 2,413 18.011,414 18.011,415 0.25,416 3.772,417 7.438,418 7.431,419 3.726,420 3.523,421 1.676,422 1.616,423 1.856,424 1.238,425 1.694,426 1.704,427 9.632,428 437.353,429 468.656,430 167,431 3.87,432 3,433 6.236,434 5.214,435 0.702,436 4.065,437 1.441,438 1.441,439 23.444,440 0.329,441 0.527,442 0.871,443 58.563,444 3.804,446 3.385,447 4.019,448 0.277,449 173.332,450 103.766,451 103.766,452 103.766,453 1,454 1.47,455 310.602,456 392.897,457 0.2,458 0.978,459 7.468,460 2.62,461 1.59,462 128.477,463 -0.03,464 1.742,465 4.313,466 4.171,467 14.49,468 17.49,469 14.901,470 20.934,471 1.833,472 3.155,473 3.294,474 139.831,475 1.55,476 1.485,477 1.277,478 6,479 114.44,480 3.864,481 2.443,482 1.688,483 19.75,484 2,485 1.277,486 1,487 1,488 5,489 2,490 3.32,491 3.08,492 4.72,493 5.109,494 6.32,495 6.972,496 8.014,497 8.79,498 9.756,499 10.593,500 11.524,501 12.392,502 13.307,503 14.19,504 15.261,505 3.533,506 -0.071,507 23.209,508 23.209,509 23.209,510 23.209,511 23.209,512 23.414,513 1.402,514 1.402,515 1.665,516 1.928,517 1.774,518 16.794,519 16.278,520 16.794,521 4.073,522 2.659,523 4.043,524 44.126,525 6.337}