@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5638

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1173655,CHEMBL119385,CHEMBL1230020,CHEMBL1236107,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL1614701,CHEMBL162,CHEMBL1721885,CHEMBL1789941,CHEMBL180022,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL215152,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL24828,CHEMBL248757,CHEMBL249697,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL377300,CHEMBL379218,CHEMBL384304,CHEMBL386051,CHEMBL428690,CHEMBL445813,CHEMBL450786,CHEMBL464552,CHEMBL475251,CHEMBL477772,CHEMBL491473,CHEMBL494089,CHEMBL509032,CHEMBL513909,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL601719,CHEMBL608154,CHEMBL91829,CHEMBL939,CHEMBL941}
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.013 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.019 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr11 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.081 numeric
@attribute F.083 numeric
@attribute F.084 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute pXC50 numeric

@data
{1 2.895,2 2.942,3 143.581,4 177.355,5 1.682,6 10.037,7 3.884,8 15.085,9 105.742,10 8.778,11 0.767,12 3.876,13 3.969,14 3.685,15 3.557,16 5.067,17 3.514,18 4.342,19 4.468,20 3.966,21 3.915,22 5.557,23 3.863,24 4.56,25 4.722,26 3.994,27 3.994,28 5.781,29 3.931,30 4.58,31 4.762,32 3.908,33 3.95,34 5.751,35 3.886,36 4.601,37 4.819,38 3.857,39 3.946,40 5.646,41 3.871,42 4.499,43 4.692,44 3.898,45 3.935,46 5.602,47 3.856,48 4.493,49 4.659,50 3.897,51 3.953,52 5.719,53 3.858,54 4.594,55 4.821,56 3.718,57 3.862,58 5.71,59 3.742,60 0.057,61 0.666,62 7.483,63 3.94,64 8.578,65 4.237,66 0.115,67 1.074,68 14.667,69 6.738,70 15.682,71 7.342,72 0.247,73 1.318,74 18.974,75 8.268,76 43.026,77 8.97,78 0.275,79 1.334,80 19.434,81 7.928,82 40.885,83 8.824,84 0.302,85 1.29,86 19.997,87 7.981,88 39.294,89 9.967,90 0.252,91 1.223,92 17.439,93 7.486,94 31.067,95 9.636,96 0.242,97 1.216,98 16.215,99 7.987,100 27.859,101 9.813,102 0.261,103 1.31,104 21.198,105 8.944,106 39.575,107 10.966,108 11,109 42,110 0.287,111 0.569,112 0.703,113 0.795,114 0.81,115 0.81,116 3.341,117 0.988,118 -4.92,119 -4.83,120 -4.53,122 48.8,127 1,140 10,141 3,142 2,143 2,144 1,150 1,156 1,165 10,168 4,170 1,172 2,173 9,177 8,181 5,183 5,187 8,191 4,193 6,197 1,199 1,201 2,204 14,206 1,207 1,212 18,214 1,215 3,218 1,221 12,224 4,230 4,233 4,242 1123,243 18.361,244 18.361,245 18.361,246 18.361,247 18.361,248 15.561,249 4.368,250 10.837,251 18.876,252 14.814,253 14.814,254 14.814,255 14.814,256 14.814,257 10.659,258 2.498,259 5.164,260 15.642,261 3.744,262 2.087,263 1.302,264 0.762,265 0.669,266 0.669,267 4.038,269 1,270 1,271 1,272 587,273 2.646,275 74.848,276 265.59,283 1.451,284 27.251,286 1,287 1,288 1,289 1,290 0.6,292 1,293 1,294 0.8,295 58,296 271,297 4.568,298 4.698,299 6.747,300 4.172,301 3.204,302 4.301,303 2.95,304 11.08,305 3.103,306 4.196,307 3.207,308 6.1,309 3.769,310 2.819,311 3.802,313 8.88,314 2.706,315 3.986,316 2.897,317 5.879,318 3.558,319 2.592,320 3.578,322 8.043,323 2.526,324 3.913,325 2.729,326 5.772,327 3.479,328 2.553,329 3.377,331 7.837,332 2.294,333 3.621,334 2.51,335 5.054,336 3.176,337 2.229,338 3.038,340 6.071,341 2.091,342 3.253,343 2.432,344 4.69,345 2.752,346 1.805,347 2.55,349 4.948,350 1.696,351 2.997,352 1.854,353 4.272,354 2.455,355 1.527,356 2.177,358 3.75,359 1.403,360 2.727,361 1.488,362 3.913,363 2.169,364 1.23,365 1.772,367 3.032,368 1.139,369 2.5,370 1.172,371 3.711,372 2,373 1,374 1.5,376 2.575,377 1,378 2.5,379 1,380 3.456,381 2,382 1,383 1.5,385 2.275,386 1,387 2.5,388 1,389 3.414,390 1.984,391 1,392 1.5,393 2.275,394 0.983,395 2.44,396 1,397 3.414,398 1.892,399 0.945,400 1.382,401 2.192,402 0.886,403 2.277,404 0.826,405 3.247,406 1.716,407 0.792,408 1.169,409 2.136,410 0.73,411 1.137,412 0.62,413 2.605,414 0.725,415 -0.188,416 -0.236,417 -0.422,418 -0.166,419 0.965,420 0.301,421 2.512,422 0.504,423 -0.453,424 -0.594,425 -1.096,426 -0.422,427 13.152,428 0.487,429 0.644,430 0.024,431 40.5,432 1.5,433 23.5,434 0.87,435 17,436 0.63,437 17.941,438 0.664,439 27.048,440 0.629,441 29.792,442 1.103,443 8.054,444 0.298,445 5.06,446 0.187,447 0.085,449 0.367,452 1,453 0.545,454 0.959,455 5}
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{0 CHEMBL1336,1 3.276,2 3.319,3 184.065,4 215.284,5 1.965,6 14.281,7 4.176,8 17.437,9 110.459,10 9.685,11 0.529,12 4.003,13 4.1,14 3.755,15 3.517,16 5.316,17 3.555,18 4.496,19 4.622,20 4.2,21 3.853,22 6.254,23 3.888,24 4.687,25 4.837,26 4.212,27 3.955,28 6.089,29 3.972,30 4.729,31 4.888,32 4.278,33 3.87,34 6.302,35 3.909,36 4.633,37 4.809,38 4.034,39 3.794,40 6.141,41 3.811,42 4.604,43 4.799,44 3.841,45 3.776,46 5.894,47 3.752,48 4.507,49 4.685,50 3.977,51 3.684,52 6.22,53 3.67,54 4.383,55 4.577,56 3.681,57 3.61,58 5.663,59 3.582,60 0.311,61 0.902,62 5.104,63 4.001,64 37.643,65 3.787,66 1.055,67 1.686,68 11.815,69 6.648,70 147.525,71 6.555,72 0.943,73 1.452,74 18.483,75 8.178,76 99.294,77 8.02,78 1.323,79 1.452,80 26.239,81 8.848,82 158.001,83 8.205,84 1.117,85 1.415,86 18.246,87 7.271,88 116.513,89 7.605,90 1.027,91 1.273,92 21.288,93 8.134,94 142.434,95 8.546,96 1.184,97 1.129,98 18.324,99 6.854,100 152.715,101 8.195,102 0.73,103 1.053,104 16.236,105 6.388,106 91.483,107 6.945,108 55,109 48,110 0.331,111 0.647,112 0.756,113 0.856,114 0.873,115 0.88,116 3.501,117 0.833,118 -3.51,119 -3.48,120 -3.33,122 43.8,127 1,133 1,140 9,141 1,142 5,143 1,144 1,153 1,154 1,165 4,168 6,170 3,171 1,172 4,173 7,176 1,177 3,179 1,181 5,183 6,186 1,187 4,191 4,193 4,196 1,197 5,199 2,201 6,204 4,207 2,212 4,214 1,215 5,218 1,220 5,221 8,224 2,228 2,230 4,233 4,235 1,237 2,239 2,242 1830,243 20.806,244 20.806,245 20.806,246 20.806,247 20.806,248 18.374,249 27.261,250 12.092,251 21.506,252 16.717,253 16.717,254 16.717,255 16.717,256 16.717,257 12.942,258 35.352,259 5.698,260 17.916,261 3.62,262 1.75,263 1.1,264 0.506,265 0.406,266 0.365,267 4.178,268 1,270 1,271 1,272 952,273 4.416,276 372.995,283 2.451,284 58.279,287 1,288 0.83,289 1,290 0.4,292 1,293 1,294 0.75,295 73.833,296 457,297 4.547,298 4.475,299 7.24,300 4.244,301 3.377,302 4.049,303 3.825,304 12.181,305 2.944,306 4.229,307 3.563,308 6.062,309 3.837,310 2.866,311 3.823,312 1.656,313 8.764,314 2.785,315 4.066,316 3.555,317 5.644,318 3.683,319 2.72,320 3.635,321 1.058,322 7.822,323 2.609,324 3.875,325 3.063,326 5.565,327 3.519,328 2.58,329 3.161,330 0.86,331 7.541,332 2.405,333 3.704,334 2.994,335 5.413,336 3.332,337 2.4,338 3.009,339 0.247,340 7.063,341 2.229,342 3.547,343 2.575,344 5.211,345 3.124,346 2.195,347 2.804,349 6.337,350 2.036,351 3.361,352 2.395,353 4.965,354 2.936,355 2.011,356 2.613,358 5.825,359 1.806,360 3.175,361 2.246,362 4.578,363 2.71,364 1.738,365 2.359,367 4.786,368 1.597,369 2.847,370 1.789,371 4.063,372 2.351,373 1.412,374 1.947,376 3.427,377 1.315,378 2.583,379 1.433,380 4.032,381 2.114,382 1.154,383 1.616,385 3.137,386 1.089,387 2.568,388 1.187,389 3.473,390 2.075,391 1.102,392 1.566,393 2.48,394 1.069,395 2.5,396 1.086,397 3.414,398 2,399 1,400 1.5,401 2.275,402 1,403 1.544,404 1,405 3.068,406 1.223,407 0.316,408 0.37,409 0.808,410 0.276,411 1.471,412 0.86,413 2.898,414 1.174,415 0.188,416 0.223,417 0.331,418 0.183,419 1.444,420 0.704,421 2.828,422 1.024,423 0.136,424 0.167,425 0.249,426 0.108,427 14.671,428 0.458,429 1.021,430 0.032,431 43.5,432 1.359,433 22.5,434 0.703,435 21,436 0.656,437 23.394,438 0.731,439 35.129,440 0.732,441 38.162,442 1.193,443 9.153,444 0.286,445 5.998,446 0.187,447 0.187,448 0.034,449 0.307,451 3,453 0.672,454 1.018,455 5}
{0 CHEMBL1421,1 3.274,2 3.332,3 228.043,4 280.347,5 1.781,6 14.515,7 3.439,8 11.829,9 130.334,10 8.272,11 0.472,12 4.186,13 4.31,14 3.868,15 3.71,16 5.289,17 3.681,18 4.723,19 4.911,20 4.273,21 4.092,22 5.802,23 4.04,24 4.941,25 5.151,26 4.314,27 4.218,28 5.982,29 4.141,30 5.006,31 5.228,32 4.28,33 4.257,34 6.04,35 4.143,36 5.048,37 5.295,38 4.247,39 4.219,40 6.107,41 4.099,42 4.913,43 5.139,44 4.3,45 4.148,46 5.979,47 4.032,48 4.818,49 5.046,50 4.105,51 4.07,52 5.861,53 3.938,54 4.729,55 4.975,56 3.899,57 3.905,58 5.736,59 3.791,60 0.095,61 0.941,62 11.465,63 5.069,64 10.998,65 6.429,66 0.43,67 1.487,68 24.882,69 8.224,70 31.59,71 10.997,72 0.6,73 1.695,74 35.684,75 10.349,76 45.533,77 13.753,78 0.546,79 1.729,80 37.657,81 12.51,82 51.32,83 16.654,84 0.76,85 1.693,86 45.193,87 13.007,88 79.856,89 17.006,90 0.671,91 1.578,92 38.884,93 11.058,94 68.555,95 13.89,96 0.533,97 1.499,98 38.483,99 11.075,100 49.188,101 13.638,102 0.487,103 1.324,104 32.202,105 9.003,106 43.612,107 11.771,108 28,109 50,110 0.289,111 0.627,112 0.771,113 0.863,114 0.863,115 0.863,116 3.531,117 0.988,118 -4.5,119 -4.42,120 -4.17,122 37.3,123 2,128 6,140 4,141 1,142 2,143 1,145 2,147 1,150 1,153 1,157 1,165 4,167 2,168 6,170 3,172 3,173 4,176 1,177 1,179 1,181 5,183 4,186 3,187 4,189 3,191 2,193 5,196 1,197 5,199 1,200 1,204 1,206 2,207 5,209 1,212 5,214 2,215 6,218 2,220 2,221 1,224 1,226 1,228 5,232 3,233 3,235 2,237 2,239 1,242 2001,243 22.195,244 22.195,245 22.195,246 22.195,247 22.195,248 19.929,249 32.957,250 13.115,251 23.048,252 17.742,253 17.742,254 17.742,255 17.742,256 17.742,257 14.303,258 53.106,259 6.184,260 19.239,261 4.101,262 2.018,263 1.131,264 0.568,265 0.568,266 0.568,267 4.224,268 1,271 1,272 1026,273 3.464,275 97.808,276 357.583,283 2.349,284 33.625,287 1,288 0.67,289 1,290 1,291 0.5,292 1,293 1,294 0.88,295 71.833,296 479,297 4.372,298 3.598,299 6.427,300 3.97,301 3.025,302 4.012,303 1.058,304 9.81,305 2.855,306 4.278,307 3.209,308 6.209,309 3.89,310 2.963,311 3.905,312 0.8,313 9.352,314 2.742,315 4.182,316 3.187,317 6.053,318 3.729,319 2.816,320 3.795,321 0.8,322 8.741,323 2.583,324 3.731,325 2.874,326 5.56,327 3.499,328 2.572,329 2.948,330 0.4,331 7.535,332 2.377,333 3.573,334 2.712,335 5.322,336 3.261,337 2.344,338 2.8,340 6.886,341 2.131,342 3.377,343 2.486,344 5.139,345 3.091,346 2.175,347 2.481,349 6.287,350 1.978,351 3.232,352 2.379,353 4.841,354 2.799,355 1.879,356 2.478,358 5.178,359 1.722,360 3.232,361 2.119,362 4.717,363 2.782,364 1.854,365 2.446,367 5.104,368 1.638,369 2.898,370 1.66,371 4.254,372 2.451,373 1.484,374 2.064,376 3.876,377 1.433,378 2.623,379 1.578,380 4.184,381 2.329,382 1.39,383 1.628,385 3.748,386 1.3,387 2.572,388 1.558,389 3.789,390 2.079,391 1.12,392 1.553,393 2.808,394 1.051,395 2.17,396 1.399,397 3.414,398 1.967,399 1.025,400 1.055,401 2.275,402 0.965,403 2.062,404 1.146,405 3.275,406 1.935,407 1,408 1.003,409 1.824,410 0.926,411 2,412 1.064,413 3.163,414 1.528,415 0.688,416 1,417 1.676,418 0.566,419 1.58,420 0.727,421 2.952,422 1.216,423 0.302,424 0.362,425 0.714,426 0.248,427 16.014,428 0.485,429 0.835,430 0.025,431 41.75,432 1.265,433 19,434 0.576,435 22.75,436 0.689,437 31.371,438 0.951,439 36.186,440 0.613,441 31.424,442 0.952,443 8.116,444 0.246,445 7.807,446 0.237,447 0.149,449 0.331,453 0.871,454 1.516,455 6.328}
{0 CHEMBL1614701,1 3.021,2 3.104,3 181.216,4 205.722,5 2.039,6 9.815,7 3.234,8 10.461,9 102.384,10 10.898,11 0.552,12 3.88,13 3.977,14 3.747,15 3.406,16 5.143,17 3.419,18 4.367,19 4.502,20 4.17,21 3.789,22 5.626,23 3.787,24 4.575,25 4.72,26 4.313,27 3.908,28 5.974,29 3.885,30 4.605,31 4.779,32 4.414,33 3.873,34 5.96,35 3.844,36 4.549,37 4.713,38 4.164,39 3.765,40 6.036,41 3.785,42 4.562,43 4.689,44 4.272,45 3.821,46 6.169,47 3.842,48 4.586,49 4.746,50 4.239,51 3.795,52 5.983,53 3.784,54 4.555,55 4.749,56 4.302,57 3.728,58 5.806,59 3.674,60 0.255,61 0.679,62 3.015,63 3.461,64 19.199,65 3.449,66 0.538,67 1.037,68 9.729,69 5.922,70 42.845,71 5.857,72 0.872,73 1.262,74 23.78,75 7.869,76 71.232,77 7.961,78 0.832,79 1.321,80 33.428,81 8.205,82 63.717,83 8.272,84 0.944,85 1.243,86 17.834,87 7.175,88 108.942,89 7.332,90 1.045,91 1.235,92 16.589,93 7.522,94 112.204,95 6.621,96 0.901,97 1.128,98 16.171,99 7.214,100 90.926,101 6.667,102 0.973,103 1.017,104 26.345,105 8.19,106 84.24,107 7.949,108 42,109 41,110 0.356,111 0.753,112 0.855,113 0.905,114 0.905,115 0.905,116 3.341,117 0.929,118 -4.17,119 -4.11,120 -3.89,121 1,122 40.5,127 1,128 2,140 4,141 1,142 5,144 1,150 1,153 1,155 1,163 1,165 2,167 1,168 2,170 1,172 3,173 4,176 1,177 4,179 1,181 5,183 3,187 2,189 2,190 2,193 3,196 1,199 3,201 1,204 4,206 2,207 2,209 2,211 2,212 3,214 1,215 8,220 4,221 1,224 6,227 1,230 1,233 2,235 1,237 1,242 1213,243 17.922,244 17.922,245 17.922,246 17.922,247 17.922,248 15.746,249 18.997,250 10.554,251 18.585,252 14.227,253 14.227,254 14.227,255 14.227,256 14.227,257 10.912,258 21.153,259 4.957,260 15.422,261 3.353,262 1.078,263 0.494,264 0.208,265 0.208,266 0.208,267 4.016,268 1,270 1,271 1,272 553,273 3.536,275 66.456,276 150.725,279 114.279,283 1.317,284 41.631,287 1,288 0.83,289 1,290 0.6,292 1,293 1,294 0.78,295 60.583,296 265,297 4.714,298 4.038,299 6.907,300 4.258,301 3.294,302 4.67,303 2.095,304 11.539,305 3.175,306 4.256,307 3.489,308 6.343,309 3.807,310 2.878,311 3.9,312 0.776,313 9.524,314 2.692,315 4.109,316 3.223,317 6.047,318 3.688,319 2.728,320 3.664,321 0.4,322 8.648,323 2.558,324 3.719,325 3.179,326 5.738,327 3.307,328 2.364,329 3.105,331 7.429,332 2.202,333 3.45,334 2.777,335 5.009,336 2.959,337 2.101,338 2.765,340 5.856,341 1.734,342 3.112,343 2.668,344 4.883,345 2.729,346 1.796,347 2.263,349 5.049,350 1.627,351 2.878,352 2.206,353 4.334,354 2.483,355 1.573,356 2.019,358 3.971,359 1.404,360 2.801,361 1.846,362 4.163,363 2.342,364 1.4,365 1.925,367 3.664,368 1.305,369 2.618,370 1.772,371 3.809,372 2.312,373 1.377,374 1.615,376 3.006,377 1.223,378 2.337,379 1.579,380 3.551,381 1.86,382 0.949,383 1.257,385 2.282,386 0.858,387 1.797,388 1.217,389 3.364,390 1.578,391 0.664,392 0.724,393 1.493,394 0.587,395 1.72,396 0.92,397 2.826,398 1.391,399 0.471,400 0.561,401 0.903,402 0.405,403 1.279,404 0.715,405 2.764,406 0.838,407 -0.006,408 -0.007,409 -0.014,410 -0.004,411 1.065,412 0.527,413 2.432,414 0.65,415 -0.266,416 -0.313,417 -0.551,418 -0.236,419 0.797,420 0.24,421 2.359,422 0.494,423 -0.44,424 -0.521,425 -0.847,426 -0.264,427 13.433,428 0.498,429 0.754,430 0.028,431 34,432 1.259,433 16,434 0.593,435 18,436 0.667,437 24.068,438 0.891,439 29.167,440 0.694,441 26.718,442 0.99,443 6.889,444 0.255,445 6.029,446 0.223,447 0.261,449 0.365,452 1,453 0.744,454 1.144,455 5}
{0 CHEMBL162,1 3.397,2 3.461,3 227.775,4 301.51,5 1.512,6 8.057,7 3.82,8 14.59,9 131.874,10 7.649,11 0.571,12 4.263,13 4.37,14 3.882,15 3.832,16 5.286,17 3.826,18 4.873,19 5.021,20 4.374,21 4.318,22 5.859,23 4.309,24 5.178,25 5.337,26 4.61,27 4.573,28 6.149,29 4.556,30 5.369,31 5.531,32 4.757,33 4.756,34 6.333,35 4.727,36 5.532,37 5.717,38 4.778,39 4.847,40 6.495,41 4.794,42 5.585,43 5.797,44 4.686,45 4.848,46 6.518,47 4.761,48 5.533,49 5.767,50 4.425,51 4.709,52 6.463,53 4.58,54 5.314,55 5.575,56 3.935,57 4.389,58 6.201,59 4.21,60 0.027,61 0.917,62 12.149,63 5.573,64 11.265,65 6.965,66 0.37,67 1.627,68 25.463,69 9.887,70 30.97,71 12.55,72 0.571,73 2.159,74 35.68,75 13.607,76 40.408,77 17.155,78 0.443,79 2.615,80 42.815,81 17.103,82 43.837,83 21.674,84 0.654,85 3.038,86 52.426,87 19.901,88 53.811,89 25.674,90 0.548,91 3.117,92 57.473,93 22.265,94 66.036,95 29.664,96 0.67,97 2.864,98 56.948,99 21.781,100 84.94,101 29.533,102 0.536,103 2.232,104 47.876,105 17.849,106 74.079,107 24.601,108 21,109 68,110 0.238,111 0.589,112 0.78,113 0.837,114 0.857,115 0.878,116 3.592,117 0.875,118 -3.69,119 -3.66,120 -3.48,122 45.9,123 1,124 1,127 2,128 1,129 2,130 1,132 1,140 8,141 6,150 4,153 1,165 13,167 2,168 11,170 1,172 3,173 14,176 3,177 12,179 1,181 2,183 13,187 16,189 3,191 3,193 17,196 2,197 15,199 2,201 2,204 19,206 1,207 13,211 10,212 18,214 1,215 8,218 1,220 10,221 12,224 4,226 1,228 2,230 10,232 1,233 1,235 1,236 1,239 4,242 1554,243 24.479,244 24.479,245 24.479,246 24.479,247 24.479,248 21.802,249 28.268,250 13.618,251 25.037,252 20.655,253 20.655,254 20.655,255 20.655,256 20.655,257 16.241,258 43.083,259 6.255,260 21.485,261 4.419,262 2.197,263 0.988,264 0.627,265 0.496,266 0.365,267 4.332,271 1,272 655,273 3.606,275 83.28,276 145.816,277 35.366,279 304.128,280 103.607,281 57.287,282 460.14,283 0.986,284 31.918,287 1,288 0.67,289 1,290 0.8,291 0.5,292 1,293 1,294 0.85,295 75,296 282,297 5.131,298 4.031,299 8.018,300 4.73,301 3.785,302 5.285,303 1.157,304 15.502,305 3.602,306 4.747,307 3.722,308 7.443,309 4.418,310 3.454,311 4.71,312 1.081,313 13.599,314 3.307,315 4.507,316 3.378,317 6.984,318 4.144,319 3.178,320 3.952,321 0.86,322 11.874,323 3.072,324 4.188,325 3.256,326 6.655,327 3.852,328 2.872,329 3.612,330 0.473,331 10.548,332 2.807,333 3.861,334 2.75,335 6.172,336 3.462,337 2.505,338 3.412,339 0.4,340 8.784,341 2.39,342 3.691,343 2.678,344 6.05,345 3.365,346 2.389,347 3.043,348 0.297,349 8.42,350 2.333,351 3.521,352 2.532,353 5.844,354 3.181,355 2.236,356 2.862,358 7.654,359 2.107,360 3.408,361 2.327,362 5.654,363 3.06,364 2.07,365 2.62,367 7.069,368 2.039,369 3.126,370 2.011,371 5.264,372 2.736,373 1.766,374 2.23,376 5.664,377 1.703,378 2.932,379 1.901,380 4.97,381 2.54,382 1.589,383 2.097,385 4.926,386 1.508,387 2.867,388 1.705,389 4.719,390 2.428,391 1.435,392 1.997,393 4.264,394 1.418,395 2.855,396 1.494,397 4.14,398 2.38,399 1.381,400 1.957,401 3.045,402 1.378,403 2.662,404 1.399,405 4.027,406 2.198,407 1.228,408 1.722,409 2.917,410 1.19,411 2.371,412 1.286,413 3.853,414 2.063,415 1.138,416 1.342,417 2.822,418 1.044,419 2.126,420 1.149,421 3.658,422 1.879,423 0.939,424 1.064,425 2.394,426 0.876,427 16.6,428 0.474,429 1.022,430 0.029,431 44.25,432 1.264,433 19.5,434 0.557,435 24.75,436 0.707,437 38.341,438 1.095,439 36.2,440 0.593,441 38.554,442 1.102,443 8.525,444 0.244,445 8.555,446 0.244,447 0.11,448 0.03,449 0.47,453 0.835,454 1.254,455 5.509}
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{0 CHEMBL91829,1 3.493,2 3.561,3 227.108,4 285.549,5 1.502,6 9.743,7 3.479,8 12.106,9 135.851,10 7.438,11 0.5,12 4.257,13 4.372,14 3.84,15 3.811,16 5.311,17 3.796,18 4.831,19 5.002,20 4.238,21 4.25,22 5.851,23 4.221,24 5.087,25 5.269,26 4.344,27 4.446,28 6.081,29 4.384,30 5.26,31 5.47,32 4.46,33 4.561,34 6.273,35 4.488,36 5.371,37 5.576,38 4.55,39 4.626,40 6.383,41 4.562,42 5.455,43 5.667,44 4.625,45 4.699,46 6.486,47 4.634,48 5.519,49 5.746,50 4.566,51 4.705,52 6.531,53 4.625,54 5.405,55 5.634,56 4.318,57 4.565,58 6.422,59 4.453,60 0.01,61 0.931,62 12.794,63 5.704,64 8.109,65 7.426,66 0.33,67 1.576,68 25.693,69 9.495,70 27.812,71 12.684,72 0.384,73 1.917,74 34.175,75 13.551,76 35.095,77 17.839,78 0.389,79 2.258,80 41.743,81 16.368,82 66.1,83 22.422,84 0.571,85 2.511,86 47.271,87 17.453,88 57.707,89 23.328,90 0.503,91 2.715,92 51.617,93 19.102,94 69.583,95 25.88,96 0.628,97 2.852,98 56.723,99 19.81,100 93.764,101 26.839,102 0.758,103 2.485,104 51.171,105 18.086,106 105.793,107 24.444,108 19,109 59,110 0.237,111 0.569,112 0.715,113 0.784,114 0.804,115 0.824,116 3.59,117 0.903,118 -3.48,119 -3.46,120 -3.31,122 44.4,124 1,127 2,128 4,129 1,136 2,140 8,141 4,149 2,150 2,153 2,165 13,168 10,170 2,172 2,173 14,176 2,177 11,181 2,183 13,186 2,187 8,191 2,193 13,196 3,197 10,199 2,201 2,204 12,206 3,207 14,211 4,212 10,214 1,215 16,220 3,221 10,223 1,224 14,226 1,230 8,232 1,233 6,239 7,242 1438,243 23.93,244 23.93,245 23.93,246 23.93,247 23.93,248 21.264,249 21.829,250 13.939,251 24.38,252 19.802,253 19.802,254 19.802,255 19.802,256 19.802,257 15.494,258 21.51,259 6.631,260 20.498,261 4.476,262 2.372,263 1.445,264 1.008,265 0.881,266 0.754,267 4.308,271 1,272 765,273 3.24,275 112.181,276 97.343,279 139.797,283 0.993,284 32.204,287 1,288 0.67,289 1,290 0.8,291 0.5,292 1,293 1,294 0.85,295 75,296 341,297 4.825,298 3.839,299 7.187,300 4.422,301 3.429,302 4.714,303 1.2,304 12.66,305 3.405,306 4.638,307 3.32,308 6.82,309 4.167,310 3.194,311 4.601,312 0.86,313 11.317,314 3.111,315 4.357,316 3.219,317 6.535,318 3.918,319 2.943,320 3.942,321 0.8,322 10.243,323 2.866,324 3.609,325 3.152,326 5.878,327 3.505,328 2.574,329 2.917,330 0.8,331 7.843,332 2.39,333 3.581,334 2.943,335 5.489,336 3.252,337 2.266,338 2.806,340 7.262,341 2.234,342 3.433,343 2.483,344 5.399,345 3.058,346 2.106,347 2.723,349 6.615,350 2.004,351 3.384,352 2.375,353 5.217,354 2.97,355 1.996,356 2.63,358 5.936,359 1.928,360 3.325,361 2.249,362 4.956,363 2.907,364 1.939,365 2.54,367 5.465,368 1.876,369 3.149,370 2.037,371 4.751,372 2.783,373 1.857,374 2.307,376 4.662,377 1.704,378 2.937,379 1.923,380 4.436,381 2.678,382 1.648,383 1.952,385 4.576,386 1.685,387 2.843,388 1.502,389 4.379,390 2.327,391 1.331,392 1.913,393 3.638,394 1.323,395 2.705,396 1.451,397 3.808,398 2.28,399 1.309,400 1.789,401 2.941,402 1.266,403 2.628,404 1.236,405 3.628,406 2.158,407 1.176,408 1.649,409 2.814,410 1.152,411 2.452,412 1.206,413 3.594,414 2.088,415 1.112,416 1.427,417 2.709,418 1.079,419 2.206,420 1.005,421 3.574,422 1.812,423 0.846,424 1.071,425 2.137,426 0.812,427 16.6,428 0.474,429 0.922,430 0.026,431 44.25,432 1.264,433 20.5,434 0.586,435 23.75,436 0.679,437 34.267,438 0.979,439 36.8,440 0.584,441 39.403,442 1.126,443 8.837,444 0.252,445 8.171,446 0.233,447 0.1,449 0.404,453 0.746,454 1.368,455 5}
{0 CHEMBL939,1 3.167,2 3.241,3 205.859,4 262.591,5 1.765,6 12.935,7 4.203,8 17.668,9 117.539,10 8.126,11 0.5,12 4.125,13 4.233,14 3.763,15 3.608,16 5.232,17 3.614,18 4.683,19 4.851,20 4.108,21 3.975,22 5.763,23 3.967,24 4.893,25 5.085,26 4.228,27 4.114,28 6.01,29 4.075,30 4.91,31 5.131,32 4.063,33 4.094,34 5.891,35 4.01,36 4.924,37 5.162,38 3.998,39 4.066,40 5.867,41 3.975,42 4.855,43 5.07,44 4.024,45 4.022,46 5.847,47 3.955,48 4.822,49 5.037,50 4.035,51 4,52 5.867,53 3.93,54 4.743,55 4.957,56 4.007,57 3.938,58 5.802,59 3.875,60 0.111,61 0.856,62 10.201,63 4.964,64 8.62,65 6.061,66 0.52,67 1.327,68 22.65,69 8.032,70 32.965,71 9.846,72 0.832,73 1.556,74 32.057,75 10.206,76 61.553,77 12.9,78 0.668,79 1.527,80 32.189,81 10.914,82 50.112,83 14.647,84 0.769,85 1.436,86 34.793,87 11.224,88 55.907,89 15.459,90 0.703,91 1.383,92 30.31,93 10.185,94 51.652,95 13.425,96 0.773,97 1.377,98 29.541,99 9.526,100 53.011,101 12.641,102 0.507,103 1.332,104 28.621,105 8.847,106 41.222,107 11.646,108 11,109 46,110 0.291,111 0.618,112 0.788,113 0.862,114 0.862,115 0.862,116 3.472,117 0.926,118 -4.14,119 -4.08,120 -3.86,122 40,124 1,127 1,128 6,140 5,141 1,142 5,144 1,145 1,146 1,165 2,167 1,168 7,170 1,172 3,173 3,176 2,177 5,181 2,183 3,186 2,187 4,189 1,191 2,193 4,196 2,197 3,199 1,204 5,206 1,207 4,209 1,212 4,214 2,215 7,220 1,221 2,224 4,230 1,232 2,233 3,235 1,239 2,242 1793,243 21.3,244 21.3,245 21.3,246 21.3,247 21.3,248 19.212,249 28.856,250 12.772,251 22.231,252 16.748,253 16.748,254 16.748,255 16.748,256 16.748,257 13.558,258 41.089,259 6.022,260 18.21,261 4.016,262 2.038,263 1.007,264 0.559,265 0.559,266 0.559,267 4.172,268 1,270 1,271 1,272 866,273 3.24,276 375.27,280 143.891,283 2.067,284 34.732,287 1,288 1,289 1,290 1,291 0.5,292 1,293 1,294 0.93,295 68.833,296 401,297 4.575,298 3.319,299 6.586,300 4.099,301 3.135,302 4.513,303 0.86,304 10.534,305 3.023,306 4.218,307 3.281,308 6.054,309 3.76,310 2.835,311 3.872,312 0.86,313 8.734,314 2.605,315 3.99,316 2.944,317 5.946,318 3.569,319 2.645,320 3.493,321 0.86,322 8.294,323 2.43,324 3.569,325 2.884,326 5.361,327 3.436,328 2.52,329 2.926,330 0.8,331 6.965,332 2.305,333 3.52,334 2.475,335 5.34,336 3.155,337 2.228,338 2.674,339 0.4,340 6.774,341 2.032,342 3.334,343 2.316,344 5.011,345 2.867,346 1.925,347 2.521,349 5.763,350 1.803,351 2.999,352 2.162,353 4.505,354 2.589,355 1.675,356 2.22,358 4.444,359 1.524,360 2.82,361 2.123,362 4.042,363 2.481,364 1.561,365 1.949,367 3.523,368 1.433,369 2.767,370 1.897,371 3.948,372 2.319,373 1.414,374 1.819,376 3.451,377 1.23,378 2.581,379 1.618,380 3.696,381 2.29,382 1.414,383 1.587,385 3.144,386 1.217,387 2.312,388 1.367,389 3.448,390 2.091,391 1.174,392 1.3,393 2.612,394 1.067,395 2,396 1.256,397 3.247,398 1.952,399 1,400 1,401 2.136,402 0.946,403 1.822,404 0.969,405 3.201,406 1.535,407 0.632,408 0.729,409 1.449,410 0.565,411 1.555,412 0.825,413 2.898,414 1.27,415 0.391,416 0.416,417 0.737,418 0.34,419 1.471,420 0.734,421 2.812,422 1.162,423 0.282,424 0.34,425 0.598,426 0.236,427 14.6,428 0.471,429 0.623,430 0.02,431 38.75,432 1.25,433 17.5,434 0.565,435 21.25,436 0.685,437 26.928,438 0.869,439 34.6,440 0.629,441 29.763,442 0.96,443 7.851,444 0.253,445 7.285,446 0.235,447 0.103,449 0.301,452 1,453 0.775,454 1.345,455 5}
{0 CHEMBL941,1 3.412,2 3.467,3 239.113,4 318.954,5 1.468,6 16.73,7 4.221,8 17.813,9 146.651,10 7.26,11 0.585,12 4.309,13 4.443,14 3.863,15 3.85,16 5.388,17 3.826,18 4.838,19 5.033,20 4.197,21 4.233,22 5.866,23 4.187,24 5.077,25 5.286,26 4.239,27 4.395,28 6.061,29 4.31,30 5.205,31 5.466,32 4.145,33 4.367,34 6.139,35 4.247,36 5.13,37 5.402,38 4.135,39 4.291,40 6.073,41 4.196,42 4.967,43 5.186,44 4.111,45 4.268,46 6.004,47 4.179,48 5.016,49 5.264,50 4.026,51 4.248,52 5.971,53 4.136,54 4.9,55 5.125,56 3.986,57 4.166,58 5.937,59 4.067,60 0.042,61 1.057,62 14.153,63 5.707,64 10.591,65 7.967,66 0.335,67 1.689,68 26.501,69 9.172,70 28.678,71 13.227,72 0.267,73 2.03,74 34.233,75 12.408,76 36.8,77 17.809,78 0.379,79 2.115,80 41.833,81 14.546,82 57.714,83 21.321,84 0.4,85 1.949,86 39.659,87 12.896,88 56.06,89 19.119,90 0.404,91 1.798,92 31.238,93 11.142,94 47.554,95 15.945,96 0.357,97 1.761,98 34.142,99 12.405,100 47.321,101 17.862,102 0.328,103 1.59,104 29.721,105 10.944,106 50.027,107 15.574,108 10,109 56,110 0.229,111 0.549,112 0.732,113 0.824,114 0.859,115 0.859,116 3.642,117 0.911,118 -4.14,119 -4.08,120 -3.86,122 42.6,123 1,127 1,128 5,140 10,141 4,142 2,143 3,144 1,148 1,153 1,165 11,167 1,168 7,170 3,172 5,173 12,176 1,177 6,181 5,183 7,186 1,187 13,190 1,191 6,193 3,197 9,201 3,204 5,206 1,207 6,209 4,211 2,212 11,214 1,215 3,218 1,220 2,221 13,223 2,224 5,228 4,230 11,233 8,237 2,239 6,242 2915,243 25.256,244 25.256,245 25.256,246 25.256,247 25.256,248 22.252,249 30.255,250 15.065,251 25.762,252 20.276,253 20.276,254 20.276,255 20.276,256 20.276,257 15.83,258 48.345,259 7.248,260 21.073,261 4.619,262 2.571,263 1.397,264 0.809,265 0.581,266 0.581,267 4.35,271 1,272 1361,273 3.317,276 678.363,283 2.71,284 24.81,287 1,288 0.83,289 1,290 0.8,291 0.5,292 1,293 1,294 0.88,295 78.5,296 619,297 4.315,298 3.573,299 6.185,300 3.93,301 2.959,302 3.96,303 1.058,304 9.244,305 2.89,306 4.24,307 3.072,308 6.115,309 3.858,310 2.876,311 3.87,312 0.916,313 8.969,314 2.818,315 4.165,316 3.043,317 6.033,318 3.787,319 2.798,320 3.759,321 0.8,322 8.628,323 2.765,324 3.82,325 2.87,326 5.588,327 3.604,328 2.658,329 3.263,330 0.4,331 7.698,332 2.52,333 3.74,334 2.687,335 5.313,336 3.344,337 2.392,338 3.117,339 0.172,340 6.87,341 2.27,342 3.544,343 2.462,344 5.204,345 3.267,346 2.32,347 2.784,349 6.483,350 2.183,351 3.434,352 2.335,353 5.127,354 3.087,355 2.123,356 2.551,358 6.246,359 2.046,360 3.203,361 2.27,362 4.806,363 2.861,364 1.928,365 2.486,367 5.438,368 1.786,369 3.033,370 1.869,371 4.413,372 2.731,373 1.773,374 2.052,376 4.415,377 1.697,378 2.857,379 1.829,380 4.15,381 2.412,382 1.441,383 2,385 3.703,386 1.398,387 2.744,388 1.543,389 4.047,390 2.282,391 1.265,392 1.806,393 3.364,394 1.276,395 2.709,396 1.262,397 3.541,398 2.207,399 1.238,400 1.75,401 2.792,402 1.197,403 2.5,404 1.146,405 3.429,406 2,407 1,408 1.5,409 2.387,410 1,411 2.5,412 1,413 3.414,414 1.967,415 1,416 1.5,417 2.275,418 0.965,419 2.5,420 1,421 3.414,422 1.961,423 1,424 1.5,425 2.275,426 0.958,427 17.633,428 0.477,429 0.814,430 0.022,431 51.25,432 1.385,433 26.5,434 0.716,435 24.75,436 0.669,437 29.967,438 0.81,439 38.767,440 0.57,441 41.044,442 1.109,443 10.312,444 0.279,445 7.718,446 0.209,447 0.076,449 0.301,453 0.848,454 1.433,455 5}