@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2291

@attribute molecule_id {CHEMBL1088284,CHEMBL1778639,CHEMBL1917389,CHEMBL1917584,CHEMBL1917592,CHEMBL217053,CHEMBL2204469,CHEMBL258751,CHEMBL260672,CHEMBL260674,CHEMBL409714,CHEMBL410333,CHEMBL411315,CHEMBL563949}
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute BIC2 numeric
@attribute BLI numeric
@attribute DBI numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute GATS1p numeric
@attribute GATS2m numeric
@attribute GATS6m numeric
@attribute GNar numeric
@attribute H.046 numeric
@attribute H.052 numeric
@attribute HNar numeric
@attribute IC4 numeric
@attribute JGI1 numeric
@attribute LOC numeric
@attribute MATS2s numeric
@attribute MATS5e numeric
@attribute MATS5s numeric
@attribute MATS6s numeric
@attribute MCD numeric
@attribute nS..O.2 numeric
@attribute PHI numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_s_1 numeric
@attribute PW5 numeric
@attribute SIC3 numeric
@attribute SM04_EA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SM08_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin8_Bh.p. numeric
@attribute Uindex numeric
@attribute X0A numeric
@attribute X1Av numeric
@attribute X2Av numeric
@attribute X3Av numeric
@attribute X4Av numeric
@attribute S3K numeric
@attribute ATSC1m numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_EA numeric
@attribute D.Dtr06 numeric
@attribute GATS1v numeric
@attribute ATSC1p numeric
@attribute Hypertens.50 numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SsCH3 numeric
@attribute CATS2D_08_AL numeric
@attribute GATS4p numeric
@attribute MATS4p numeric
@attribute S2K numeric
@attribute X0Av numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute CATS2D_03_LL numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute MATS4m numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_v_3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute AMW numeric
@attribute GATS1m numeric
@attribute ATS8m numeric
@attribute MATS1m numeric
@attribute Mp numeric
@attribute P_VSA_LogP_8 numeric
@attribute RBF numeric
@attribute SpMax5_Bh.m. numeric
@attribute IC2 numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMin6_Bh.v. numeric
@attribute TIC2 numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR 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 ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i 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 BIC3 numeric
@attribute BID 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.006 numeric
@attribute C.013 numeric
@attribute C.016 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.031 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.043 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL 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 CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CSI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr09 numeric
@attribute DECC numeric
@attribute DELS 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_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. 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.ed. numeric
@attribute Eig02_EA.ri. 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.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute pXC50 numeric

@data
{1 11.422,2 7.251,3 20.592,4 9.794,5 0.674,6 0.836,7 3.391,8 3.648,9 2.397,10 1.36,11 3.929,13 0.371,14 0.882,15 0.732,16 0.949,17 2.063,20 1.92,21 4.798,22 0.2,23 0.887,24 0.082,25 0.058,26 0.025,27 -0.041,28 0.75,30 6.117,32 67.828,34 0.111,35 0.831,36 3.829,37 5.382,38 7.053,39 8.769,40 10.504,41 12.247,42 5.648,43 4.03,44 3.685,45 3.648,46 0.321,47 2.397,48 1.98,49 1.268,50 1.062,51 51.246,52 0.708,53 0.279,54 0.147,55 0.079,56 0.042,57 4.934,58 6.332,59 0.104,60 0.091,61 442.775,62 0.809,63 4.447,65 2.987,66 1.079,68 3,69 0.906,70 0.027,71 9.136,72 0.521,73 0.797,74 0.797,75 17,76 0.816,77 0.816,78 0.004,79 171.397,80 171.397,81 0.855,82 0.855,83 8.866,84 0.618,85 4.183,86 0.006,87 0.706,89 0.115,90 3.393,91 4.061,92 3.157,93 3.181,94 1.256,95 198.982,96 1.649,97 9.688,98 5.403,99 29.197,100 110.958,101 0.686,102 4.007,103 4.094,104 3.702,105 3.628,106 5.321,107 3.632,108 4.481,109 4.597,110 4.078,111 3.998,112 5.897,113 3.992,114 4.775,115 4.94,116 4.142,117 4.127,118 6.088,119 4.106,120 4.81,121 5.004,122 4.152,123 4.135,124 6.045,125 4.109,126 4.835,127 5.005,128 4.262,129 4.21,130 6.169,131 4.189,132 4.913,133 5.093,134 4.259,135 4.261,136 6.178,137 4.23,138 4.95,139 5.14,140 4.256,141 4.217,142 6.344,143 4.18,144 4.874,145 5.05,146 4.108,147 6.404,148 4.088,149 0.149,150 0.847,151 26.72,152 4.543,153 0.335,154 1.376,155 53.018,156 7.761,157 0.662,158 1.81,159 112.909,160 10.087,161 0.616,162 1.783,163 22.904,164 9.873,165 100.559,166 11.338,167 0.693,168 1.767,169 21.1,170 9.475,171 97.442,172 10.96,173 0.597,174 1.972,175 23.427,176 11.02,177 89.871,178 12.389,179 0.925,180 2.146,181 27.51,182 12.328,183 140.725,184 14.193,185 0.965,186 1.976,187 25.414,188 11.707,189 172.909,190 12.347,191 28,192 49,193 0.274,194 0.552,195 0.775,196 3.503,197 -6.71,198 -6.53,199 -6.05,201 51,203 1,204 1,210 12,211 4,212 3,213 1,214 1,215 1,220 1,223 15,224 1,225 1,226 6,228 1,229 18,230 1,232 9,234 1,237 10,238 2,240 13,241 1,242 2,243 12,245 2,246 1,247 17,248 2,250 3,253 2,254 20,255 2,257 3,260 2,261 23,262 3,266 3,267 18,268 4,270 4,272 4,273 8,274 4,275 1816,276 21.378,277 21.378,278 21.378,279 21.378,280 21.378,281 18.255,282 20.249,283 12.616,284 21.675,285 17.296,286 17.296,287 17.296,288 17.296,289 17.296,290 12.737,291 21.018,292 6.039,293 17.856,294 3.966,295 2.289,296 1.554,297 0.946,298 4.197,301 659,304 1.414,305 55.12,307 0.75,308 0.83,309 0.83,310 0.3,312 0.83,313 0.65,314 71.5,315 310,316 4.49,317 6.801,318 4.172,319 3.192,320 4.145,321 11.24,322 3.131,323 4.297,324 3.575,325 6.508,326 3.978,327 2.988,328 3.842,329 10.236,330 2.955,331 3.087,332 5.423,333 3.467,334 2.501,335 3.535,336 0.242,337 7.035,338 2.413,339 3.897,340 2.905,341 5.348,342 3.461,343 2.491,344 3.472,346 6.791,347 2.412,348 3.718,349 2.87,350 5.251,351 3.307,352 2.357,353 3.097,355 6.486,356 2.223,357 3.506,358 2.811,359 4.958,360 3.117,361 2.144,362 2.723,364 5.77,365 2.057,366 3.324,367 2.172,368 4.893,369 2.879,370 1.94,371 2.622,373 5.544,374 1.808,375 3.239,376 2.167,377 4.845,378 2.815,379 1.857,380 2.509,381 5.382,382 1.759,383 3.115,384 2.105,385 4.459,386 2.676,387 1.696,388 2.309,389 4.449,390 1.643,391 2.724,392 1.357,393 3.916,394 2.229,395 1.256,396 1.826,397 3.032,398 1.216,399 2.5,400 1.041,401 3.638,402 2,403 1,404 1.5,405 2.459,406 1,407 2.5,408 1,409 3.47,410 2,411 1,412 1.5,413 2.275,414 1,415 2.5,416 1,417 3.414,418 1.956,419 1,420 1.5,421 2.275,422 0.953,423 1.939,424 1,425 3.414,426 1.604,427 0.645,428 0.803,429 1.757,430 0.612,431 1.378,432 0.753,433 2.832,434 1.039,435 0.073,436 0.089,437 0.186,438 0.069,439 14.824,440 0.463,441 0.856,442 0.027,443 45.25,444 1.414,445 25.5,446 0.797,447 19.75,448 0.617,449 24.117,450 0.754,451 33.176,452 0.677,453 39.331,454 1.229,455 9.414,456 0.294,457 8.469}
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