@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5174 @attribute molecule_id {CHEMBL1077253,CHEMBL1078797,CHEMBL1078850,CHEMBL1078851,CHEMBL1078973,CHEMBL1078974,CHEMBL1079064,CHEMBL1079081,CHEMBL1079082,CHEMBL1079279,CHEMBL1085195,CHEMBL1088744,CHEMBL1090056,CHEMBL1091089,CHEMBL1095672,CHEMBL1098234,CHEMBL211967,CHEMBL211986,CHEMBL212539,CHEMBL212560,CHEMBL212851,CHEMBL213245,CHEMBL213321,CHEMBL213325,CHEMBL213376,CHEMBL214248,CHEMBL214266,CHEMBL215632,CHEMBL215821,CHEMBL215831,CHEMBL215838,CHEMBL215902,CHEMBL215962,CHEMBL215998,CHEMBL377006,CHEMBL377214,CHEMBL377450,CHEMBL377657,CHEMBL379106,CHEMBL379360,CHEMBL379547,CHEMBL379579,CHEMBL379832,CHEMBL384737,CHEMBL384861,CHEMBL386361,CHEMBL386641,CHEMBL386808,CHEMBL387002,CHEMBL387255,CHEMBL411137,CHEMBL425427,CHEMBL425440,CHEMBL427044,CHEMBL436932,CHEMBL438268,CHEMBL540714} @attribute MATS8i numeric @attribute SaaCH numeric @attribute C. numeric @attribute MATS4p numeric @attribute Eta_betaP_A numeric @attribute SpMax2_Bh.v. numeric @attribute C.025 numeric @attribute ARR numeric @attribute P_VSA_s_4 numeric @attribute JGI9 numeric @attribute GATS3m numeric @attribute ATSC4e numeric @attribute NaaCH numeric @attribute P_VSA_i_2 numeric @attribute SpMin3_Bh.e. numeric @attribute Eta_betaP numeric @attribute nAB numeric @attribute nCar numeric @attribute PCD numeric @attribute piID numeric @attribute SpMin3_Bh.i. numeric @attribute CATS2D_09_LL numeric @attribute P_VSA_MR_5 numeric @attribute MATS8v numeric @attribute Hy numeric @attribute BAC numeric @attribute D.Dtr06 numeric @attribute D.Dtr05 numeric @attribute MATS8m numeric @attribute AAC numeric @attribute IC0 numeric @attribute Eta_beta_A numeric @attribute Eig04_EA.bo. numeric @attribute Eig12_AEA.bo. numeric @attribute SM14_AEA.ri. numeric @attribute P_VSA_e_2 numeric @attribute MATS4i numeric @attribute GATS7p numeric @attribute LOC numeric @attribute ATSC2s numeric @attribute C.024 numeric @attribute MCD numeric @attribute nBM numeric @attribute nCsp2 numeric @attribute P_VSA_MR_6 numeric @attribute Uc numeric @attribute MATS4v numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_03_DL numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_v_3 numeric @attribute piPC05 numeric @attribute IVDE numeric @attribute Mi numeric @attribute MATS7p numeric @attribute MATS7i numeric @attribute SpMin7_Bh.v. numeric @attribute GNar numeric @attribute X0A numeric @attribute MATS8p numeric @attribute GATS3p numeric @attribute CATS2D_08_DL numeric @attribute nHet numeric @attribute Mv numeric @attribute GATS8p numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_LL numeric @attribute GATS8v numeric @attribute HNar numeric @attribute ATSC1e numeric @attribute Eta_FL_A numeric @attribute Mp numeric @attribute SpMin3_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute P_VSA_LogP_2 numeric @attribute SpMAD_EA.bo. numeric @attribute GATS2i numeric @attribute GATS2p numeric @attribute GATS2v numeric @attribute Eta_C_A numeric @attribute piPC04 numeric @attribute GATS1s numeric @attribute Eta_L numeric @attribute P_VSA_MR_2 numeric @attribute SpMin2_Bh.i. numeric @attribute ATSC5s numeric @attribute MATS2s numeric @attribute ATS5s numeric @attribute ATSC3e numeric @attribute NaasC numeric @attribute Ui numeric @attribute GATS7v numeric @attribute Vindex numeric @attribute ATSC4s numeric @attribute SpMax5_Bh.s. numeric @attribute MATS1s numeric @attribute PDI numeric @attribute Eta_L_A numeric @attribute IAC numeric @attribute nR06 numeric @attribute Rperim numeric @attribute TIC0 numeric @attribute TRS numeric @attribute ATSC2e numeric @attribute GATS1i numeric @attribute JGI1 numeric @attribute GGI5 numeric @attribute Chi0_EA.dm. numeric @attribute SM06_EA.bo. numeric @attribute CATS2D_04_PL numeric @attribute Xindex numeric @attribute Yindex numeric @attribute GATS3v numeric @attribute ATSC1m numeric @attribute P_VSA_s_6 numeric @attribute SsOH numeric @attribute Eta_alpha_A numeric @attribute Eta_sh_p numeric @attribute Se numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute MATS2p numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.v. numeric @attribute GATS1e numeric @attribute ATSC3m numeric @attribute SM08_EA.bo. numeric @attribute ATS3e numeric @attribute GATS7i numeric @attribute Eig12_EA.bo. numeric @attribute SM04_EA.bo. numeric @attribute X1A numeric @attribute ATSC1p numeric @attribute D.Dtr09 numeric @attribute Eig13_AEA.bo. numeric @attribute PCR numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute 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 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 ATSC1i numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2v numeric @attribute ATSC3i numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p 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 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 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.012 numeric @attribute C.014 numeric @attribute C.026 numeric @attribute C.027 numeric @attribute C.028 numeric @attribute C.029 numeric @attribute C.033 numeric @attribute C.034 numeric @attribute C.035 numeric @attribute C.040 numeric @attribute C.041 numeric @attribute C.043 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_AA numeric @attribute CATS2D_01_AN numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_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_DN numeric @attribute CATS2D_02_DP numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_02_PP 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_DN numeric @attribute CATS2D_03_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AN numeric @attribute CATS2D_04_AP numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DN numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AN numeric @attribute CATS2D_05_AP numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DN numeric @attribute CATS2D_05_DP numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_NL numeric @attribute CATS2D_05_PL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DN numeric @attribute CATS2D_06_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_NL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_06_PP 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_DN numeric @attribute CATS2D_07_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_NL numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_07_PN numeric @attribute CATS2D_07_PP numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AN numeric @attribute CATS2D_08_AP numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DP numeric @attribute CATS2D_08_NL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AN numeric @attribute CATS2D_09_AP numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_DN numeric @attribute CATS2D_09_DP 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.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 Cl.090 numeric @attribute CMC.50 numeric @attribute CMC.80 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr08 numeric @attribute D.Dtr10 numeric @attribute DECC numeric @attribute DELS numeric @attribute Depressant.50 numeric @attribute Depressant.80 numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 numeric @attribute DLS_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.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 pXC50 numeric @data {1 -0.01,3 28.8,4 0.008,5 0.27,6 3.695,9 29.6,10 0.009,11 1.015,12 2.164,14 101.329,15 1.76,16 16.5,19 0.424,20 8.372,21 1.708,22 6,23 372.024,24 -0.007,25 12.979,26 487,28 244.874,29 0.037,30 1.674,31 1.674,32 0.914,33 3.139,34 3.107,35 3.139,36 101.329,37 -0.046,38 1.088,39 3.321,40 184.501,42 0.082,43 11,44 11,45 38.55,46 3.585,47 0.032,48 9,49 6,50 1,51 11,52 101.329,53 101.329,54 5.182,55 1.579,56 1.157,57 -0.039,58 -0.055,59 1.785,60 1.829,61 0.758,62 -0.004,63 0.993,64 9,65 25,66 0.571,67 1.013,68 9,69 7,70 1,71 1.656,72 0.4,73 0.185,74 0.593,75 1.965,76 3.864,77 311.977,78 1.647,79 1.464,80 1.405,81 1.24,82 1.465,83 4.97,84 0.727,85 17.407,86 558.864,87 1.724,88 608.421,89 0.155,90 7.391,91 2.171,93 3.585,94 1.021,95 0.336,96 352.011,97 7.429,98 -0.091,99 0.873,100 0.285,101 209.249,103 5,104 209.249,105 5,106 1.204,107 1.715,108 0.238,109 2.302,110 46.247,111 9.2,112 5,113 0.545,114 0.881,115 0.999,116 29.018,117 509.728,118 19.221,119 0.447,120 0.263,121 127.116,122 3.68,123 3.915,124 3.734,125 -0.174,126 1.778,127 1.77,128 0.868,129 79.844,130 11.387,131 5.792,132 1.081,133 2.119,134 7.143,135 0.471,136 9.384,138 2.789,139 1.053,140 22.361,141 -4.021,142 16.171,143 216.074,144 6.953,145 4.888,146 5.041,147 4.322,148 4.229,149 6.065,150 4.23,151 5.444,152 5.651,153 4.667,154 4.613,155 6.655,156 4.566,157 6.039,158 4.77,159 4.791,160 6.929,161 4.732,162 5.868,163 6.1,164 4.878,165 4.855,166 7.072,167 4.825,168 5.946,169 6.165,170 5.001,171 4.933,172 4.896,173 6.024,174 6.263,175 4.988,176 5.026,177 7.232,178 4.959,179 6.103,180 6.346,181 5.041,182 5.067,183 7.294,184 5.008,185 6.135,186 6.375,187 5.102,188 5.067,189 7.554,190 5.01,191 1.714,192 69.213,193 14.482,194 2.451,195 53.209,196 15.788,197 25.14,198 2.843,199 19.052,200 307.596,201 31.604,202 2.988,203 86.319,204 19.774,205 32.89,206 3.275,207 3.236,208 94.005,209 22.103,210 36.121,211 2.879,212 3.522,213 100.842,214 25.51,215 453.916,216 40.923,217 2.755,218 3.634,219 109.438,220 26.539,221 447.306,222 43.419,223 3.907,224 3.65,225 114.783,226 26.25,227 704.894,228 43.686,229 80,230 0.236,231 0.465,232 0.679,233 0.811,234 0.874,235 0.885,236 4.129,237 0.987,238 2.04,239 1.78,240 1.39,241 3,242 11,246 4,247 7,257 9,258 2,260 5,261 5,262 5,264 2,265 2,266 1,267 1,268 6,269 4,270 12,271 2,272 1,273 4,274 1,275 1,276 2,277 1,278 10,280 8,281 5,282 1,285 1,286 1,288 14,289 2,291 1,292 1,293 10,294 1,296 1,297 9,298 8,299 2,301 10,302 1,303 11,304 1,306 8,307 1,308 4,309 4,310 8,312 10,313 5,314 8,315 1,316 1,317 8,318 2,321 2,322 14,323 3,324 2,325 3,326 5,327 7,328 2,329 4,330 5,331 2,333 2,335 10,336 2,337 5,338 13,339 4,340 4,341 2,343 3,344 10,346 4,347 12,348 4,349 11,350 1,351 1,352 4,353 5,354 12335,355 39.001,356 39.001,357 39.001,358 39.001,359 39.001,360 36.869,361 23.623,362 39.569,363 29.917,364 29.917,365 29.917,366 29.917,367 29.917,368 26.485,369 42.483,370 11.061,371 30.741,372 5.292,373 3.669,374 2.155,375 1.217,376 0.77,377 0.69,378 4.785,384 2676,385 8.485,388 3.603,389 137.648,392 0.25,393 0.17,394 0.33,395 0.6,396 1,397 0.17,399 0.36,400 140,401 1364,402 4.277,403 3.956,404 6.732,405 4.124,406 3.157,407 3.434,408 2.376,409 10.875,410 3.048,411 4.102,412 3.85,413 6.209,414 3.928,415 2.944,416 3.271,417 2.341,418 9.222,419 2.887,420 4.026,421 3.814,422 6.106,423 3.842,424 2.858,425 3.194,426 2.025,427 8.85,428 2.802,429 3.977,430 3.762,431 6.052,432 3.797,433 2.812,434 1.998,435 8.649,436 2.761,437 3.837,438 3.682,439 5.957,440 3.646,441 4.745} {0 CHEMBL1078797,1 -0.106,2 7.438,3 32.7,4 -0.011,5 0.656,6 3.824,8 0.333,9 60.7,10 0.007,11 0.914,12 1.262,13 6,14 78.141,15 1.607,16 21,17 11,18 10,19 2.476,20 9.555,21 1.592,22 1,23 107.765,24 -0.136,25 4.248,26 98,27 119.053,28 107.221,29 -0.091,30 1.987,31 1.987,32 1.289,33 3.056,34 2.343,35 3.056,36 115.226,37 -0.018,38 1.206,39 2.085,40 136.988,41 5,42 0.344,43 18,44 13,45 70.967,46 4.248,47 0.034,48 3,49 4,50 3,51 6,52 115.226,53 115.226,54 5.664,55 1.714,56 1.139,57 -0.098,58 -0.085,59 1.474,60 1.885,61 0.747,62 -0.207,63 1.056,64 3,65 15,66 0.658,67 1.344,68 1,69 1,70 1.135,71 1.707,72 0.353,73 0.255,74 0.67,75 1.789,76 3.898,77 58.083,78 1.989,79 1.141,80 1.097,81 1.077,82 0.835,83 5.312,84 0.721,85 6.854,86 184.371,87 1.702,88 358.837,89 0.266,90 6.732,91 0.997,92 4,93 3.755,94 1.091,95 0.261,96 204.389,97 6.999,98 -0.126,99 0.929,100 0.214,101 103.336,102 1,103 11,104 103.336,105 11,106 0.773,107 1.216,108 0.242,109 1.34,110 21.897,111 10.035,112 1,113 0.413,114 0.708,115 0.982,116 10.355,117 252.602,118 9.341,119 0.466,120 0.21,121 54.24,122 3.886,123 3.916,124 3.84,125 -0.014,126 1.411,127 1.404,128 0.657,129 30.372,130 12.911,131 4.836,132 1.142,133 1.272,134 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