@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4574

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1173655,CHEMBL119385,CHEMBL1230020,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL14762,CHEMBL1614701,CHEMBL162,CHEMBL1721885,CHEMBL1789941,CHEMBL180022,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL215152,CHEMBL2207198,CHEMBL2207208,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL24828,CHEMBL249697,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL377300,CHEMBL379218,CHEMBL384304,CHEMBL386051,CHEMBL428690,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL464552,CHEMBL475251,CHEMBL477772,CHEMBL483321,CHEMBL491473,CHEMBL494089,CHEMBL509032,CHEMBL513909,CHEMBL514409,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576817,CHEMBL576982,CHEMBL601719,CHEMBL605003,CHEMBL607707,CHEMBL608154,CHEMBL91829,CHEMBL939,CHEMBL941}
@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.007 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_DP 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_DP 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.Dtr04 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 GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute H.054 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.80 numeric
@attribute I.099 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute pXC50 numeric

@data
{1 1.682,2 10.037,3 3.884,4 15.085,5 105.742,6 8.778,7 0.767,8 3.876,9 3.969,10 3.685,11 3.557,12 5.067,13 3.514,14 4.342,15 4.468,16 3.966,17 3.915,18 5.557,19 3.863,20 4.56,21 4.722,22 3.994,23 3.994,24 5.781,25 3.931,26 4.58,27 4.762,28 3.908,29 3.95,30 5.751,31 3.886,32 4.601,33 4.819,34 3.857,35 3.946,36 5.646,37 3.871,38 4.499,39 4.692,40 3.898,41 3.935,42 5.602,43 3.856,44 4.493,45 4.659,46 3.897,47 3.953,48 5.719,49 3.858,50 4.594,51 4.821,52 3.718,53 3.862,54 5.71,55 3.742,56 0.057,57 0.666,58 7.483,59 3.94,60 8.578,61 4.237,62 0.115,63 1.074,64 14.667,65 6.738,66 15.682,67 7.342,68 0.247,69 1.318,70 18.974,71 8.268,72 43.026,73 8.97,74 0.275,75 1.334,76 19.434,77 7.928,78 40.885,79 8.824,80 0.302,81 1.29,82 19.997,83 7.981,84 39.294,85 9.967,86 0.252,87 1.223,88 17.439,89 7.486,90 31.067,91 9.636,92 0.242,93 1.216,94 16.215,95 7.987,96 27.859,97 9.813,98 0.261,99 1.31,100 21.198,101 8.944,102 39.575,103 10.966,104 11,105 42,106 0.287,107 0.569,108 0.703,109 0.795,110 0.81,111 0.81,112 3.341,113 0.988,114 -4.92,115 -4.83,116 -4.53,118 48.8,123 1,137 10,138 3,139 2,140 2,141 1,147 1,153 1,162 10,165 4,167 1,169 2,170 9,174 8,178 5,180 5,184 8,188 4,190 6,194 1,196 1,198 2,201 14,203 1,204 1,210 18,212 1,213 3,216 1,220 12,223 4,229 4,232 4,241 1123,242 18.361,243 18.361,244 18.361,245 18.361,246 18.361,247 15.561,248 4.368,249 10.837,250 18.876,251 14.814,252 14.814,253 14.814,254 14.814,255 14.814,256 10.659,257 2.498,258 5.164,259 15.642,260 3.744,261 2.087,262 1.302,263 0.762,264 0.669,265 0.669,266 4.038,268 1,269 1,270 1,271 587,272 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 0.724,456 0.931,457 0.569,458 0.805,459 0.683,460 1.023,461 1.025,462 1.087,463 0.581,464 0.931,465 1.117,466 1.081,467 1.027,468 1.01,469 1.067,470 1.008,471 1.059,472 1.04,473 1.039,474 0.992,475 0.909,476 1.052,477 0.717,478 0.694,479 0.72,480 0.677,481 0.564,482 0.839,483 0.446,484 0.776,485 0.686,486 0.856,487 0.416,488 0.929,489 0.461,490 0.996,491 0.879,492 1.094,493 0.567,494 1.166,495 0.905,496 0.972,497 0.883,498 0.948,499 0.88,500 1.093,501 5,502 0.136,503 3.333,504 1.41,505 1.466,506 1.202,507 0.457,508 0.28,509 0.357,510 0.275,511 8549,512 27336,513 2.12,514 37.2,516 13,518 2,519 1,524 1.706,525 2,526 3.291,527 -0.346,529 1,532 72.336,533 1.682,534 3.339,535 4.125,536 4.665,537 4.758,538 4.758,539 2.75,540 4.236,541 4.72,542 3.463,543 1215.67,544 8.228,545 15393.9,547 1,549 1,550 233.329,551 1.352,552 4.694,553 0.167,554 0.008,555 0.079,556 0.034,557 0.038,558 0.032,559 0.012,560 0.008,561 0.012,562 0.013,563 0.402,564 0.17,565 1,566 0.704,567 132.502,568 0.018,569 -0.04,570 0.116,571 0.009,572 -0.084,573 0.039,574 -0.009,575 -0.086,576 -0.1,577 -0.115,578 0.026,579 -0.044,580 -0.151,581 -0.103,582 -0.141,583 -0.081,584 -0.09,585 -0.096,586 -0.175,587 5}
{0 CHEMBL101253,1 1.496,2 10.4,3 4.705,4 22.138,5 100.976,6 8.671,7 0.821,8 3.803,9 3.913,10 3.514,11 3.464,12 4.975,13 3.437,14 4.262,15 4.398,16 3.86,17 3.837,18 5.382,19 3.788,20 4.511,21 4.697,22 3.901,23 3.938,24 5.564,25 3.861,26 4.515,27 4.732,28 3.756,29 3.84,30 5.52,31 3.754,32 4.451,33 4.676,34 3.759,35 3.782,36 5.493,37 3.723,38 4.382,39 4.579,40 3.717,41 3.806,42 5.456,43 3.734,44 4.37,45 4.573,46 3.668,47 3.781,48 5.403,49 3.675,50 4.285,51 4.512,52 3.486,53 3.609,54 5.255,55 3.465,56 0.036,57 0.569,58 5.871,59 3.065,60 6.797,61 3.852,62 0.051,63 0.892,64 10.545,65 5.141,66 10.565,67 6.527,68 0.15,69 1.134,70 18.583,71 7.031,72 22.023,73 8.915,74 0.152,75 1.147,76 19.99,77 7.228,78 24.391,79 9.299,80 0.206,81 1.11,82 17.499,83 6.324,84 25.7,85 8.142,86 0.186,87 1.026,88 15.521,89 5.816,90 22.825,91 7.282,92 0.139,93 0.952,94 15.408,95 6.574,96 20.483,97 8.757,98 0.115,99 0.837,100 16.149,101 6.477,102 20.375,103 8.711,104 2,105 38,106 0.259,107 0.558,108 0.709,109 0.819,110 0.836,111 0.845,112 3.267,113 0.893,114 -5.43,115 -5.31,116 -4.96,118 50,120 1,137 10,138 3,139 2,140 2,141 1,142 1,158 1,162 11,165 5,167 1,169 3,170 14,174 7,176 1,178 4,180 10,184 10,188 2,190 8,194 8,198 3,201 13,203 1,204 3,208 1,210 13,212 1,213 3,218 2,220 11,223 3,229 8,232 1,234 1,238 8,241 911,242 17.361,243 17.361,244 17.361,245 17.361,246 17.361,247 14.555,248 18.364,249 10.512,250 17.698,251 13.875,252 13.875,253 13.875,254 13.875,255 13.875,256 9.836,257 28.435,258 5.06,259 14.462,260 3.826,261 2.106,262 1.23,263 0.6,264 0.5,265 0.45,266 3.972,267 1,269 1,270 1,271 572,272 2.345,276 266.179,280 101.355,283 1.856,284 13.492,286 1,287 0.75,288 1,289 1,290 0.6,292 1,293 1,294 0.76,295 52.333,296 260,297 4.596,298 3.258,299 6.707,300 4.135,301 3.153,302 4.543,303 0.68,304 10.902,305 3.096,306 4.03,307 2.961,308 5.8,309 3.622,310 2.659,311 3.625,312 0.4,313 8.069,314 2.567,315 3.92,316 2.823,317 5.423,318 3.508,319 2.531,320 3.467,322 7.166,323 2.46,324 3.64,325 2.533,326 5.255,327 3.188,328 2.251,329 3.075,331 6.536,332 2.109,333 3.404,334 2.184,335 4.905,336 2.943,337 2.007,338 2.76,340 5.669,341 1.851,342 3.274,343 1.907,344 4.658,345 2.783,346 1.831,347 2.591,349 4.855,350 1.673,351 2.887,352 1.516,353 3.792,354 2.382,355 1.44,356 2.053,358 3.102,359 1.355,360 2.777,361 1.288,362 3.598,363 2.267,364 1.281,365 1.913,367 2.852,368 1.26,369 2.5,370 1.076,371 3.562,372 2,373 1.013,374 1.5,376 2.575,377 1,378 2.5,379 1,380 3.414,381 1.994,382 1,383 1.5,385 2.275,386 0.99,387 2.465,388 1,389 3.247,390 1.984,391 1,392 1.449,393 2.136,394 0.983,395 1.729,396 0.741,397 3.101,398 1.405,399 0.449,400 0.552,401 1.119,402 0.42,403 1.313,404 0.426,405 2.764,406 0.935,407 0.02,408 0.025,409 0.048,410 0.016,411 1.014,412 -0.044,413 2.445,414 0.595,415 -0.34,416 -0.435,417 -0.814,418 -0.291,419 0.889,420 -0.429,421 2.304,422 0.391,423 -0.583,424 -0.833,425 -1.455,426 -0.561,427 12.314,428 0.493,429 0.465,430 0.019,431 38.25,432 1.53,433 22.5,434 0.9,435 15.75,436 0.63,437 15.877,438 0.635,439 24.286,440 0.607,441 25.535,442 1.021,443 7.668,444 0.307,445 4.625,446 0.185,447 0.058,449 0.284,453 0.647,454 1,455 0.571,456 0.8,457 0.649,458 0.771,459 0.742,460 1.154,461 0.711,462 0.975,463 0.732,464 0.954,465 1.087,466 1.111,467 1.012,468 1.045,469 1.037,470 1.035,471 1.127,472 1.198,473 0.96,474 1.059,475 1.031,476 1.042,477 1.034,478 1.003,479 0.653,480 0.784,481 0.874,482 0.81,483 1.183,484 0.863,485 0.903,486 0.846,487 1.108,488 0.925,489 0.58,490 0.996,491 0.789,492 1.07,493 0.729,494 1.098,495 0.655,496 1.086,497 0.906,498 1.158,499 0.779,500 1.175,501 4,502 0.029,503 2.222,504 1.188,505 1.24,506 0.542,507 0.405,508 0.302,509 0.2,510 0.117,511 7458,512 21561,513 2.179,514 37.5,516 10,518 2,519 1,520 2,524 1.681,525 2.113,526 3.346,527 -0.356,532 59.835,533 1.496,534 3.216,535 4.091,536 4.722,537 4.822,538 4.872,539 2.953,540 4.324,541 4.61,542 3.486,543 1045.76,544 7.983,545 12517.9,547 1,550 212.877,551 1.078,552 4.606,553 0.143,554 0.002,555 0.058,556 0.031,557 0.038,558 0.016,559 0.012,560 0.01,561 0.01,562 0.008,563 0.329,564 0.33,565 1,566 0.372,567 120.213,568 0.065,569 0.037,570 0.023,571 0.023,572 0.004,573 0.028,574 0.025,575 -0.141,576 -0.022,577 -0.113,578 -0.008,579 -0.107,580 -0.096,581 -0.099,582 -0.117,583 -0.119,584 -0.114,585 -0.118,586 -0.129,587 5}
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{0 CHEMBL1421,1 1.781,2 14.515,3 3.439,4 11.829,5 130.334,6 8.272,7 0.472,8 4.186,9 4.31,10 3.868,11 3.71,12 5.289,13 3.681,14 4.723,15 4.911,16 4.273,17 4.092,18 5.802,19 4.04,20 4.941,21 5.151,22 4.314,23 4.218,24 5.982,25 4.141,26 5.006,27 5.228,28 4.28,29 4.257,30 6.04,31 4.143,32 5.048,33 5.295,34 4.247,35 4.219,36 6.107,37 4.099,38 4.913,39 5.139,40 4.3,41 4.148,42 5.979,43 4.032,44 4.818,45 5.046,46 4.105,47 4.07,48 5.861,49 3.938,50 4.729,51 4.975,52 3.899,53 3.905,54 5.736,55 3.791,56 0.095,57 0.941,58 11.465,59 5.069,60 10.998,61 6.429,62 0.43,63 1.487,64 24.882,65 8.224,66 31.59,67 10.997,68 0.6,69 1.695,70 35.684,71 10.349,72 45.533,73 13.753,74 0.546,75 1.729,76 37.657,77 12.51,78 51.32,79 16.654,80 0.76,81 1.693,82 45.193,83 13.007,84 79.856,85 17.006,86 0.671,87 1.578,88 38.884,89 11.058,90 68.555,91 13.89,92 0.533,93 1.499,94 38.483,95 11.075,96 49.188,97 13.638,98 0.487,99 1.324,100 32.202,101 9.003,102 43.612,103 11.771,104 28,105 50,106 0.289,107 0.627,108 0.771,109 0.863,110 0.863,111 0.863,112 3.531,113 0.988,114 -4.5,115 -4.42,116 -4.17,118 37.3,119 2,124 6,137 4,138 1,139 2,140 1,142 2,144 1,147 1,150 1,154 1,162 4,164 2,165 6,167 3,169 3,170 4,173 1,174 1,176 1,178 5,180 4,183 3,184 4,186 3,188 2,190 5,193 1,194 5,196 1,197 1,201 1,203 2,204 5,206 1,210 5,212 2,213 6,216 2,218 2,220 1,223 1,225 1,227 5,231 3,232 3,234 2,236 2,238 1,241 2001,242 22.195,243 22.195,244 22.195,245 22.195,246 22.195,247 19.929,248 32.957,249 13.115,250 23.048,251 17.742,252 17.742,253 17.742,254 17.742,255 17.742,256 14.303,257 53.106,258 6.184,259 19.239,260 4.101,261 2.018,262 1.131,263 0.568,264 0.568,265 0.568,266 4.224,267 1,270 1,271 1026,272 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 0.673,456 0.997,457 0.729,458 0.939,459 0.846,460 1.116,461 0.718,462 0.852,463 0.638,464 0.832,465 1.049,466 1.094,467 0.974,468 0.982,469 0.885,470 0.963,471 0.792,472 1.051,473 0.939,474 1.061,475 0.784,476 1.089,477 1.031,478 0.858,479 0.993,480 0.89,481 0.99,482 0.89,483 1.204,484 0.956,485 0.805,486 0.815,487 1.435,488 0.852,489 0.825,490 1.14,491 1.308,492 1.304,493 0.675,494 1.059,495 0.943,496 1.085,497 1.039,498 1.08,499 0.788,500 0.962,501 7.5,502 0.133,503 3.556,504 2.222,505 1.899,506 1.181,507 0.688,508 0.518,509 0.28,510 0.313,511 16711,512 48685,513 2.061,514 44.1,515 3,516 16,518 1,519 3,520 3,524 1.749,525 1.922,526 3.77,527 0.922,532 105.106,533 1.781,534 3.865,535 4.752,536 5.315,537 5.315,538 5.315,539 3.242,540 4.62,541 5.014,542 3.973,543 2097.49,544 8.765,545 32631.5,550 347.076,551 1.434,552 4.971,553 0.208,554 0.004,555 0.071,556 0.044,557 0.04,558 0.026,559 0.016,560 0.013,561 0.008,562 0.01,563 0.443,564 0.17,565 0.88,566 0.871,567 178.143,568 -0.103,569 -0.284,570 0.036,571 -0.029,572 -0.079,573 -0.005,574 0.046,575 0.031,576 0.118,577 0.1,578 0.062,579 0.096,580 -0.089,581 -0.01,582 -0.037,583 -0.021,584 -0.048,585 -0.022,586 0.071,587 5}
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