@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5896

@attribute molecule_id {CHEMBL1215449,CHEMBL1215450,CHEMBL1215451,CHEMBL1215518,CHEMBL1215519,CHEMBL1215520,CHEMBL1215521,CHEMBL1215522,CHEMBL1215587,CHEMBL1215588,CHEMBL1215589,CHEMBL1215590,CHEMBL1229308,CHEMBL1230640,CHEMBL1435274,CHEMBL1614745,CHEMBL1615211,CHEMBL1938900,CHEMBL316034,CHEMBL583959,CHEMBL591689,CHEMBL591925,CHEMBL599994,CHEMBL600221,CHEMBL602295,CHEMBL602502,CHEMBL602503,CHEMBL602673}
@attribute ATSC2e numeric
@attribute ATSC3e numeric
@attribute ATSC3s 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 ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p 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.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.016 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 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_AN numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_NN numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD 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_AL 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_AN numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN 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 CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.80 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 pXC50 numeric

@data
{1 0.34,2 0.6,3 110.11,4 1.714,5 5,6 -1.279,7 1.635,8 31.911,9 7.745,11 3.041,12 3.142,13 2.541,14 2.293,15 4.44,16 2.344,17 3.478,18 3.656,19 2.803,20 2.506,21 5.001,22 2.543,23 3.705,24 3.881,25 2.697,26 2.507,27 5.269,28 2.553,29 3.603,30 3.784,31 2.397,32 2.392,33 5.018,34 2.369,35 3.41,36 3.67,37 2.348,38 2.143,39 5.042,40 2.107,41 2.997,42 3.191,43 2.071,44 1.655,45 5.008,46 1.702,47 2.449,48 2.631,49 0.629,50 1.007,51 3.912,52 0.975,53 1.298,54 1.682,55 0.021,56 0.361,57 1.386,58 0.189,59 0.188,60 0.208,61 4.005,62 1.37,63 29.486,64 1.898,65 0.253,66 7.116,67 1.716,68 57.196,69 2.832,70 0.238,71 10.099,72 1.65,73 2.777,74 0.554,75 0.199,76 9.332,77 1.715,78 95.181,79 2.76,80 0.454,81 0.146,82 8.149,83 1.384,84 83.298,85 2.616,86 0.363,87 0.076,88 5.273,89 0.743,90 73.066,91 1.407,92 0.227,93 0.028,94 3.212,95 0.276,96 43.062,97 0.533,98 0.035,99 0.007,100 0.943,101 0.11,102 5.763,103 0.297,104 34,105 11,106 0.397,107 0.695,108 0.876,109 0.876,110 0.876,111 0.825,112 2.432,113 0.908,114 -0.9,115 -1.01,116 -1.11,118 26.3,119 1,120 1,123 1,132 2,135 1,136 1,137 1,139 1,140 1,141 4,143 1,144 1,150 1,151 1,153 2,156 1,157 1,159 1,161 1,162 1,167 1,168 1,169 1,173 1,174 1,175 1,176 1,178 1,203 72,204 5.897,205 5.897,206 5.897,207 5.897,208 5.897,209 5.508,210 6.484,211 3.592,212 5.964,213 4.391,214 4.391,215 4.391,216 4.391,217 4.391,218 3.778,219 4.665,220 1.692,221 4.462,222 2.534,223 1.245,224 0.461,225 0.461,226 0.461,227 0.684,228 2.961,231 85,232 3.317,236 0.8,237 21.615,239 0.83,240 0.83,241 1,242 1,243 1,244 1,245 0.95,246 24.5,247 50,248 3.842,249 4.227,250 5.74,251 3.631,252 2.655,253 3,254 2.341,255 7.432,256 2.579,257 3.523,258 3.592,259 4.644,260 3.178,261 2.17,262 2.686,263 2.271,264 5.111,265 2.16,266 2.507,267 3.133,268 3.572,269 2.232,270 1.211,271 1.414,272 1.203,273 2.674,274 1.221,275 1.485,276 1.342,277 2.414,278 1.324,279 0.311,280 0.335,282 0.639,283 0.311,284 0.493,285 0.614,286 1.671,287 0.099,288 -1,289 -1,290 -0.607,291 -2,292 -0.899,293 0.433,294 0.399,295 4.854}
{0 CHEMBL1215450,1 0.354,2 0.489,3 85.069,4 1.538,5 9.471,6 0.209,7 0.044,8 63.996,9 6.317,11 3.705,12 3.844,13 3.058,14 3.032,15 4.828,16 3.002,17 4.256,18 4.491,19 3.287,20 3.355,21 5.359,22 3.28,23 4.517,24 4.762,25 3.263,26 3.49,27 5.639,28 3.371,29 4.6,30 4.888,31 3.149,32 3.442,33 5.588,34 3.293,35 4.425,36 4.703,37 3.14,38 3.311,39 5.616,40 3.185,41 4.33,42 4.602,43 3.025,44 3.201,45 5.592,46 3.075,47 4.211,48 4.491,49 2.781,50 3.081,51 5.207,52 2.931,53 4.079,54 4.367,55 2.756,56 2.909,57 5.115,58 2.786,59 0.119,60 0.476,61 9.656,62 3.228,63 14.289,64 4.879,65 0.656,66 16.899,67 4.629,68 44.756,69 7.506,70 0.72,71 21.986,72 5.735,73 9.341,74 0.614,75 0.675,76 23.803,77 5.667,78 85.758,79 9.507,80 0.55,81 0.592,82 20.022,83 4.887,84 92.712,85 8.156,86 0.539,87 0.527,88 18.289,89 4.352,90 102.133,91 7.288,92 0.409,93 0.462,94 16.068,95 3.987,96 58.498,97 6.523,98 0.311,99 0.39,100 13.999,101 3.175,102 45.7,103 5.526,104 57,105 19,106 0.289,107 0.506,108 0.757,109 0.841,110 0.841,111 0.841,112 2.903,113 1.086,114 -2.11,115 -2.16,116 -2.14,118 28.2,120 5,122 2,123 2,132 2,135 1,136 1,137 1,138 3,139 1,140 1,141 5,143 1,144 1,146 2,149 3,150 1,151 1,153 2,154 1,156 1,157 4,159 1,160 1,161 1,162 1,166 3,167 1,168 1,169 1,170 1,172 1,173 1,174 1,175 1,176 1,178 2,179 1,180 1,181 2,182 1,185 1,186 1,187 1,189 1,190 1,191 1,193 1,195 2,199 1,203 378,204 10.588,205 10.588,206 10.588,207 10.588,208 10.588,209 10.25,210 12.632,211 6.687,212 10.777,213 7.867,214 7.867,215 7.867,216 7.867,217 7.867,218 7.267,219 10.908,220 3.209,221 8.108,222 3.748,223 2.595,224 1.257,225 0.808,226 0.808,227 0.808,228 3.501,230 1,231 294,232 4.359,236 1.675,237 26.499,239 1,240 0.83,241 1,242 1,243 1,244 1,245 0.98,246 39,247 161,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.664,260 3.198,261 2.235,262 2.693,263 2.271,264 5.189,265 2.179,266 3.234,267 3.186,268 4.657,269 3.152,270 2.185,271 2.234,272 1.203,273 5.162,274 2.059,275 2.709,276 2.576,277 4.033,278 2.657,279 1.674,280 1.701,281 0.8,282 3.694,283 1.638,284 2.452,285 1.679,286 3.508,287 2.278,288 1.275,289 1.391,291 2.809,292 1.268,293 1.775,294 1.342,295 4.77}
{0 CHEMBL1215451,1 0.34,2 0.473,3 83.42,4 1.51,5 10.278,6 0.666,7 0.443,8 68.597,9 6.2,11 3.774,12 3.915,13 3.112,14 3.113,15 4.869,16 3.075,17 4.333,18 4.57,19 3.336,20 3.444,21 5.402,22 3.357,23 4.604,24 4.857,25 3.314,26 3.58,27 5.682,28 3.448,29 4.68,30 4.973,31 3.206,32 3.536,33 5.633,34 3.376,35 4.52,36 4.803,37 3.197,38 3.418,39 5.66,40 3.277,41 4.434,42 4.713,43 3.089,44 3.32,45 5.636,46 3.177,47 4.328,48 4.617,49 2.849,50 3.204,51 5.257,52 3.048,53 4.206,54 4.491,55 2.774,56 3.08,57 5.173,58 2.925,59 0.108,60 0.516,61 10.465,62 3.571,63 13.349,64 5.366,65 0.721,66 18.222,67 5.18,68 43.955,69 8.311,70 0.796,71 23.762,72 6.41,73 10.359,74 0.593,75 0.752,76 25.403,77 6.347,78 82.541,79 10.503,80 0.539,81 0.668,82 21.713,83 5.563,84 91.481,85 9.16,86 0.531,87 0.602,88 19.991,89 5.028,90 101.492,91 8.295,92 0.351,93 0.536,94 17.734,95 4.42,96 57.036,97 7.38,98 0.368,99 0.468,100 15.771,101 4.012,102 50.888,103 6.531,104 60,105 20,106 0.278,107 0.484,108 0.733,109 0.829,110 0.847,111 0.847,112 2.955,113 1.11,114 -2.39,115 -2.42,116 -2.38,118 28.6,120 6,122 2,123 2,132 2,135 1,136 1,137 1,138 4,139 1,140 1,141 5,143 1,144 1,146 3,149 3,150 1,151 1,153 2,154 2,156 1,157 4,159 1,160 1,161 1,162 2,166 3,167 1,168 1,169 1,170 1,172 1,173 1,174 1,175 4,176 1,178 2,179 1,180 1,182 1,185 2,186 1,187 1,188 2,189 1,191 1,192 1,193 1,195 1,197 1,199 1,202 1,203 436,204 11.295,205 11.295,206 11.295,207 11.295,208 11.295,209 10.957,210 12.632,211 7.187,212 11.484,213 8.367,214 8.367,215 8.367,216 8.367,217 8.367,218 7.767,219 10.908,220 3.459,221 8.608,222 3.882,223 2.764,224 1.417,225 0.893,226 0.798,227 0.798,228 3.559,230 1,231 340,232 4.472,236 1.753,237 26.922,239 0.83,240 0.83,241 1,242 1,243 1,244 1,245 0.95,246 41,247 185,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.197,261 2.236,262 2.693,263 2.271,264 5.185,265 2.178,266 3.235,267 3.186,268 4.658,269 3.156,270 2.187,271 2.235,272 1.203,273 5.166,274 2.065,275 2.763,276 2.576,277 4.041,278 2.732,279 1.747,280 1.761,281 0.8,282 3.752,283 1.714,284 2.528,285 1.762,286 3.634,287 2.373,288 1.377,289 1.479,291 3.068,292 1.362,293 2.033,294 1.342,295 5.06}
{0 CHEMBL1215518,1 0.328,2 0.457,3 81.67,4 1.485,5 11.053,6 1.122,7 1.258,8 73.198,9 6.098,11 3.838,12 3.981,13 3.162,14 3.189,15 4.908,16 3.143,17 4.405,18 4.643,19 3.383,20 3.526,21 5.443,22 3.428,23 4.684,24 4.944,25 3.362,26 3.663,27 5.723,28 3.519,29 4.754,30 5.05,31 3.26,32 3.623,33 5.676,34 3.452,35 4.607,36 4.895,37 3.252,38 3.515,39 5.702,40 3.361,41 4.528,42 4.812,43 3.149,44 3.426,45 5.679,46 3.27,47 4.432,48 4.726,49 2.925,50 3.322,51 5.319,52 3.152,53 4.323,54 4.617,55 2.843,56 3.203,57 5.226,58 3.042,59 0.099,60 0.557,61 11.266,62 3.914,63 12.44,64 5.852,65 0.785,66 19.534,67 5.731,68 43.083,69 9.113,70 0.873,71 25.496,72 7.086,73 11.369,74 0.573,75 0.83,76 26.988,77 7.027,78 79.506,79 11.494,80 0.528,81 0.744,82 23.377,83 6.24,84 90.147,85 10.158,86 0.522,87 0.678,88 21.664,89 5.704,90 100.663,91 9.295,92 0.339,93 0.611,94 19.388,95 5.096,96 55.407,97 8.383,98 0.308,99 0.541,100 17.424,101 4.445,102 49.518,103 7.387,104 61,105 21,106 0.269,107 0.465,108 0.707,109 0.813,110 0.851,111 0.851,112 3.005,113 1.132,114 -2.66,115 -2.68,116 -2.61,118 28.9,120 7,122 2,123 2,132 2,135 1,136 1,137 1,138 5,139 1,140 1,141 5,143 1,144 1,146 4,149 3,150 1,151 1,153 2,154 3,156 1,157 4,159 1,160 1,161 1,162 3,166 3,167 1,168 1,169 1,170 1,172 2,173 1,174 1,175 4,176 1,178 2,179 1,180 1,182 4,185 2,186 1,187 1,189 1,191 2,192 1,193 1,194 2,195 1,199 1,201 1,202 1,203 512,204 12.002,205 12.002,206 12.002,207 12.002,208 12.002,209 11.665,210 12.632,211 7.687,212 12.192,213 8.867,214 8.867,215 8.867,216 8.867,217 8.867,218 8.267,219 10.908,220 3.709,221 9.108,222 4.007,223 2.926,224 1.589,225 1,226 0.789,227 0.789,228 3.615,230 1,231 388,232 4.583,236 1.85,237 27.292,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 43,247 210,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.197,261 2.236,262 2.693,263 2.271,264 5.184,265 2.178,266 3.236,267 3.186,268 4.659,269 3.158,270 2.188,271 2.236,272 1.203,273 5.167,274 2.068,275 2.811,276 2.576,277 4.046,278 2.789,279 1.801,280 1.81,281 0.8,282 3.795,283 1.774,284 2.575,285 1.818,286 3.72,287 2.45,288 1.459,289 1.539,291 3.248,292 1.438,293 2.218,294 1.383,295 5.222}
{0 CHEMBL1215519,1 0.316,2 0.443,3 79.893,4 1.462,5 11.85,6 1.578,7 2.49,8 77.799,9 6.009,11 3.898,12 4.042,13 3.211,14 3.259,15 4.946,16 3.207,17 4.471,18 4.71,19 3.427,20 3.602,21 5.482,22 3.495,23 4.758,24 5.023,25 3.408,26 3.74,27 5.762,28 3.586,29 4.824,30 5.122,31 3.311,32 3.702,33 5.717,34 3.524,35 4.687,36 4.978,37 3.303,38 3.603,39 5.742,40 3.439,41 4.614,42 4.903,43 3.206,44 3.522,45 5.72,46 3.355,47 4.526,48 4.824,49 2.996,50 3.429,51 5.377,52 3.247,53 4.428,54 4.726,55 2.919,56 3.321,57 5.289,58 3.147,59 0.09,60 0.597,61 12.062,62 4.257,63 11.575,64 6.338,65 0.849,66 20.836,67 6.283,68 42.182,69 9.913,70 0.949,71 27.196,72 7.763,73 12.374,74 0.556,75 0.907,76 28.56,77 7.707,78 76.662,79 12.482,80 0.517,81 0.82,82 25.019,83 6.918,84 88.777,85 11.152,86 0.514,87 0.753,88 23.314,89 6.381,90 99.719,91 10.292,92 0.327,93 0.686,94 21.021,95 5.772,96 53.734,97 9.381,98 0.298,99 0.616,100 19.073,101 5.12,102 48.287,103 8.387,104 64,105 22,106 0.26,107 0.447,108 0.681,109 0.789,110 0.841,111 0.856,112 3.053,113 1.151,114 -2.93,115 -2.93,116 -2.83,118 29.2,120 8,122 2,123 2,132 2,135 1,136 1,137 1,138 6,139 1,140 1,141 5,143 1,144 1,146 5,149 3,150 1,151 1,153 2,154 4,156 1,157 4,159 1,160 1,161 1,162 4,166 3,167 1,168 1,169 1,170 1,172 3,173 1,174 1,175 4,176 1,178 2,179 2,180 1,182 4,185 2,186 1,187 1,189 4,191 2,192 1,193 1,195 1,199 2,201 1,202 1,203 588,204 12.709,205 12.709,206 12.709,207 12.709,208 12.709,209 12.372,210 12.632,211 8.187,212 12.899,213 9.367,214 9.367,215 9.367,216 9.367,217 9.367,218 8.767,219 10.908,220 3.959,221 9.608,222 4.123,223 3.078,224 1.761,225 1.156,226 0.865,227 0.781,228 3.667,229 1,230 1,231 440,232 4.69,236 1.965,237 27.599,238 1,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 45,247 237,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.196,261 2.236,262 2.693,263 2.271,264 5.184,265 2.178,266 3.236,267 3.186,268 4.659,269 3.159,270 2.188,271 2.236,272 1.203,273 5.167,274 2.069,275 2.848,276 2.576,277 4.048,278 2.832,279 1.842,280 1.847,281 0.8,282 3.828,283 1.818,284 2.612,285 1.857,286 3.781,287 2.521,288 1.532,289 1.587,291 3.378,292 1.508,293 2.349,294 1.497,295 5.523}
{0 CHEMBL1215520,1 0.325,2 0.454,3 78.372,4 1.441,5 12.619,6 2.034,7 4.138,8 82.4,9 5.931,11 3.955,12 4.101,13 3.257,14 3.324,15 4.983,16 3.267,17 4.534,18 4.774,19 3.47,20 3.672,21 5.52,22 3.558,23 4.827,24 5.097,25 3.452,26 3.811,27 5.8,28 3.649,29 4.888,30 5.19,31 3.36,32 3.776,33 5.756,34 3.59,35 4.76,36 5.056,37 3.352,38 3.684,39 5.78,40 3.511,41 4.693,42 4.986,43 3.26,44 3.61,45 5.759,46 3.433,47 4.613,48 4.914,49 3.062,50 3.524,51 5.432,52 3.334,53 4.523,54 4.824,55 2.991,56 3.428,57 5.349,58 3.243,59 0.098,60 0.637,61 12.852,62 4.599,63 11.475,64 6.823,65 0.912,66 22.13,67 6.834,68 41.646,69 10.711,70 1.025,71 28.869,72 8.44,73 13.374,74 0.558,75 0.984,76 30.123,77 8.388,78 74.33,79 13.467,80 0.527,81 0.896,82 26.642,83 7.596,84 88.202,85 12.143,86 0.523,87 0.829,88 24.943,89 7.059,90 98.878,91 11.284,92 0.332,93 0.762,94 22.635,95 6.449,96 52.197,97 10.374,98 0.304,99 0.691,100 20.702,101 5.796,102 47.114,103 9.383,104 65,105 23,106 0.253,107 0.43,108 0.657,109 0.763,110 0.826,111 0.859,112 3.099,113 1.168,114 -3.18,115 -3.17,116 -3.05,118 29.4,120 9,122 2,123 2,132 2,135 1,136 1,137 1,138 7,139 1,140 1,141 5,143 1,144 1,146 6,149 3,150 1,151 1,153 2,154 5,156 1,157 4,159 1,160 1,161 1,162 5,166 3,167 1,168 1,169 1,170 1,172 4,173 1,174 1,175 4,176 1,178 2,179 3,180 1,182 4,185 2,186 2,187 1,189 4,191 2,192 1,193 1,195 4,199 2,201 1,202 1,203 684,204 13.416,205 13.416,206 13.416,207 13.416,208 13.416,209 13.079,210 12.632,211 8.687,212 13.606,213 9.867,214 9.867,215 9.867,216 9.867,217 9.867,218 9.267,219 10.908,220 4.209,221 10.108,222 4.232,223 3.221,224 1.93,225 1.323,226 0.961,227 0.775,228 3.717,229 1,230 1,231 494,232 4.796,236 2.113,237 27.859,238 1,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 47,247 265,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.196,261 2.236,262 2.693,263 2.271,264 5.184,265 2.178,266 3.236,267 3.186,268 4.659,269 3.159,270 2.188,271 2.236,272 1.203,273 5.167,274 2.07,275 2.876,276 2.576,277 4.05,278 2.865,279 1.872,280 1.876,281 0.8,282 3.854,283 1.852,284 2.647,285 1.885,286 3.825,287 2.585,288 1.597,289 1.632,291 3.475,292 1.573,293 2.441,294 1.584,295 5.26}
{0 CHEMBL1215521,1 0.334,2 0.464,3 76.913,4 1.422,5 13.409,6 2.49,7 6.202,8 87.001,9 5.861,11 4.009,12 4.156,13 3.301,14 3.386,15 5.018,16 3.323,17 4.593,18 4.834,19 3.511,20 3.738,21 5.556,22 3.616,23 4.892,24 5.166,25 3.495,26 3.877,27 5.836,28 3.708,29 4.949,30 5.253,31 3.406,32 3.845,33 5.794,34 3.652,35 4.829,36 5.127,37 3.399,38 3.759,39 5.817,40 3.579,41 4.767,42 5.063,43 3.311,44 3.69,45 5.797,46 3.505,47 4.692,48 4.996,49 3.124,50 3.612,51 5.484,52 3.414,53 4.609,54 4.914,55 3.057,56 3.524,57 5.406,58 3.33,59 0.105,60 0.677,61 13.638,62 4.942,63 11.542,64 7.309,65 0.976,66 23.416,67 7.387,68 41.162,69 11.508,70 1.101,71 30.52,72 9.117,73 14.369,74 0.561,75 1.061,76 31.676,77 9.068,78 72.219,79 14.45,80 0.536,81 0.972,82 28.251,83 8.275,84 87.775,85 13.131,86 0.532,87 0.905,88 26.557,89 7.737,90 98.023,91 12.273,92 0.338,93 0.838,94 24.235,95 7.126,96 50.699,97 11.365,98 0.31,99 0.767,100 22.315,101 6.473,102 45.93,103 10.376,104 68,105 24,106 0.246,107 0.415,108 0.633,109 0.737,110 0.805,111 0.85,112 3.142,113 1.184,114 -3.43,115 -3.41,116 -3.26,118 29.6,120 10,122 2,123 2,132 2,135 1,136 1,137 1,138 8,139 1,140 1,141 5,143 1,144 1,146 7,149 3,150 1,151 1,153 2,154 6,156 1,157 4,159 1,160 1,161 1,162 6,166 3,167 1,168 1,169 1,170 1,172 5,173 1,174 1,175 4,176 1,178 2,179 4,180 1,182 4,185 2,186 3,187 1,189 4,191 2,192 2,193 1,195 4,199 2,201 1,202 1,203 780,204 14.123,205 14.123,206 14.123,207 14.123,208 14.123,209 13.786,210 12.632,211 9.187,212 14.313,213 10.367,214 10.367,215 10.367,216 10.367,217 10.367,218 9.767,219 10.908,220 4.459,221 10.608,222 4.333,223 3.356,224 2.093,225 1.491,226 1.102,227 0.843,228 3.764,229 1,230 1,231 552,232 4.899,236 2.227,237 28.082,238 1,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 49,247 295,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.196,261 2.236,262 2.693,263 2.271,264 5.184,265 2.178,266 3.236,267 3.186,268 4.659,269 3.16,270 2.188,271 2.236,272 1.203,273 5.167,274 2.071,275 2.898,276 2.576,277 4.051,278 2.889,279 1.895,280 1.898,281 0.8,282 3.875,283 1.878,284 2.682,285 1.906,286 3.858,287 2.642,288 1.653,289 1.674,291 3.549,292 1.63,293 2.505,294 1.652,295 4.959}
{0 CHEMBL1215522,1 0.343,2 0.474,3 75.469,4 1.404,5 14.174,6 2.947,7 8.682,8 91.602,9 5.799,11 4.06,12 4.208,13 3.343,14 3.444,15 5.053,16 3.377,17 4.649,18 4.89,19 3.55,20 3.799,21 5.591,22 3.672,23 4.952,24 5.231,25 3.535,26 3.94,27 5.871,28 3.763,29 5.006,30 5.312,31 3.45,32 3.909,33 5.831,34 3.711,35 4.894,36 5.194,37 3.443,38 3.829,39 5.853,40 3.642,41 4.835,42 5.134,43 3.36,44 3.765,45 5.834,46 3.573,47 4.765,48 5.072,49 3.182,50 3.692,51 5.534,52 3.488,53 4.689,54 4.996,55 3.119,56 3.611,57 5.459,58 3.41,59 0.112,60 0.716,61 14.42,62 5.284,63 11.573,64 7.793,65 1.039,66 24.695,67 7.939,68 40.642,69 12.303,70 1.178,71 32.153,72 9.795,73 15.362,74 0.564,75 1.138,76 33.223,77 9.749,78 70.229,79 15.431,80 0.545,81 1.048,82 29.847,83 8.954,84 87.289,85 14.116,86 0.54,87 0.981,88 28.158,89 8.415,90 97.135,91 13.26,92 0.343,93 0.913,94 25.823,95 7.804,96 49.224,97 12.353,98 0.316,99 0.842,100 23.915,101 7.15,102 44.727,103 11.365,104 69,105 25,106 0.24,107 0.401,108 0.612,109 0.713,110 0.782,111 0.837,112 3.184,113 1.199,114 -3.67,115 -3.64,116 -3.47,118 29.8,120 11,122 2,123 2,132 2,135 1,136 1,137 1,138 9,139 1,140 1,141 5,143 1,144 1,146 8,149 3,150 1,151 1,153 2,154 7,156 1,157 4,159 1,160 1,161 1,162 7,166 3,167 1,168 1,169 1,170 1,172 6,173 1,174 1,175 4,176 1,178 2,179 5,180 1,182 4,185 2,186 4,187 1,189 4,191 2,192 3,193 1,195 4,199 2,201 2,202 1,203 898,204 14.83,205 14.83,206 14.83,207 14.83,208 14.83,209 14.493,210 12.632,211 9.687,212 15.02,213 10.867,214 10.867,215 10.867,216 10.867,217 10.867,218 10.267,219 10.908,220 4.709,221 11.108,222 4.429,223 3.483,224 2.249,225 1.657,226 1.254,227 0.93,228 3.81,230 1,231 612,232 5,236 2.355,237 28.275,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 51,247 326,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 4.662,260 3.196,261 2.236,262 2.693,263 2.271,264 5.184,265 2.178,266 3.236,267 3.186,268 4.659,269 3.16,270 2.188,271 2.236,272 1.203,273 5.167,274 2.071,275 2.915,276 2.576,277 4.051,278 2.908,279 1.913,280 1.915,281 0.8,282 3.892,283 1.898,284 2.718,285 1.921,286 3.883,287 2.691,288 1.7,289 1.714,291 3.608,292 1.68,293 2.55,294 1.706,295 4.658}
{0 CHEMBL1215587,1 0.316,2 0.443,3 79.947,4 1.462,5 11.85,6 1.443,7 2.082,8 77.953,9 6.009,11 3.898,12 4.042,13 3.211,14 3.259,15 4.946,16 3.207,17 4.471,18 4.71,19 3.427,20 3.602,21 5.482,22 3.495,23 4.758,24 5.023,25 3.408,26 3.74,27 5.762,28 3.586,29 4.824,30 5.124,31 3.302,32 3.695,33 5.707,34 3.523,35 4.689,36 4.981,37 3.319,38 3.598,39 5.783,40 3.43,41 4.618,42 4.914,43 3.202,44 3.527,45 5.648,46 3.353,47 4.544,48 4.836,49 3.007,50 3.435,51 5.427,52 3.259,53 4.438,54 4.739,55 2.92,56 3.327,57 5.294,58 3.15,59 0.09,60 0.597,61 12.062,62 4.257,63 11.575,64 6.338,65 0.849,66 20.836,67 6.283,68 42.182,69 9.913,70 0.949,71 27.196,72 7.763,73 12.374,74 0.469,75 0.905,76 28.505,77 7.494,78 73.844,79 12.324,80 0.613,81 0.819,82 25.227,83 6.9,84 100.056,85 11.132,86 0.492,87 0.761,88 23.245,89 6.42,90 85.365,91 10.404,92 0.362,93 0.69,94 21.54,95 5.782,96 59.108,97 9.403,98 0.301,99 0.62,100 19.246,101 5.159,102 48.74,103 8.462,104 64,105 22,106 0.26,107 0.447,108 0.674,109 0.766,110 0.818,111 0.841,112 3.053,113 1.151,114 -2.93,115 -2.93,116 -2.83,118 29.2,120 8,122 2,123 2,132 2,135 1,136 1,137 1,138 6,139 1,140 1,141 5,143 1,144 1,146 4,147 1,149 5,151 1,153 3,154 3,157 3,158 2,160 2,162 3,165 2,166 3,168 2,170 1,171 1,172 3,175 3,176 1,177 1,178 1,179 2,180 1,182 4,185 2,186 2,187 1,189 2,191 2,192 2,193 1,194 1,195 2,199 1,201 2,202 1,203 588,204 12.709,205 12.709,206 12.709,207 12.709,208 12.709,209 12.372,210 12.895,211 8.187,212 12.899,213 9.367,214 9.367,215 9.367,216 9.367,217 9.367,218 8.767,219 10.964,220 3.959,221 9.611,222 4.123,223 3.078,224 1.803,225 1.281,226 0.99,227 0.865,228 3.667,229 1,230 1,231 440,232 4.69,236 1.965,237 27.574,238 1,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 45,247 237,248 3.907,249 4.239,250 5.874,251 3.7,252 2.718,253 3.077,254 2.341,255 7.941,256 2.659,257 3.518,258 3.599,259 4.662,260 3.19,261 2.236,262 2.674,263 2.271,264 5.184,265 2.164,266 3.236,267 3.178,268 4.659,269 3.159,270 2.188,271 2.236,272 1.203,273 5.167,274 2.07,275 2.877,276 2.576,277 4.048,278 2.837,279 1.842,280 1.874,281 0.8,282 3.828,283 1.826,284 2.634,285 1.865,286 3.781,287 2.53,288 1.532,289 1.612,291 3.378,292 1.52,293 2.277,294 1.515,295 5.092}
{0 CHEMBL1215588,1 0.335,2 0.496,3 75.703,4 1.404,5 14.043,6 2.907,7 8.448,8 91.672,9 5.799,11 4.06,12 4.208,13 3.343,14 3.444,15 5.051,16 3.377,17 4.649,18 4.89,19 3.555,20 3.794,21 5.592,22 3.667,23 4.955,24 5.238,25 3.563,26 3.929,27 5.872,28 3.763,29 4.993,30 5.289,31 3.494,32 3.918,33 5.841,34 3.734,35 4.938,36 5.241,37 3.484,38 3.872,39 5.887,40 3.686,41 4.879,42 5.176,43 3.377,44 3.817,45 5.868,46 3.616,47 4.831,48 5.151,49 3.185,50 3.724,51 5.569,52 3.507,53 4.689,54 4.996,55 3.119,56 3.611,57 5.459,58 3.41,59 0.112,60 0.716,61 14.42,62 5.284,63 11.475,64 7.793,65 1.039,66 24.715,67 7.855,68 40.73,69 12.255,70 1.179,71 32.338,72 9.494,73 15.105,74 0.564,75 1.161,76 33.215,77 9.595,78 68.837,79 15.278,80 0.576,81 1.102,82 31.25,83 9.237,84 88.883,85 14.662,86 0.542,87 1.034,88 29.395,89 8.917,90 98.582,91 14.014,92 0.367,93 0.944,94 27.254,95 8.159,96 52.395,97 13.003,98 0.316,99 0.842,100 23.915,101 7.15,102 44.727,103 11.365,104 69,105 25,106 0.24,107 0.412,108 0.669,109 0.806,110 0.865,111 0.889,112 3.184,113 1.209,114 -3.67,115 -3.64,116 -3.47,118 29.8,119 1,120 10,122 1,123 3,132 2,135 1,136 1,137 1,138 8,139 1,140 1,141 6,143 1,144 1,146 6,149 4,150 1,151 1,153 2,154 4,156 1,157 5,159 1,160 1,161 1,162 5,166 3,167 1,168 1,169 1,170 1,172 5,173 1,174 1,175 4,176 1,178 2,179 5,180 1,182 4,185 2,186 4,187 1,189 4,191 2,192 4,193 1,195 1,199 2,201 4,202 1,203 871,204 14.993,205 14.993,206 14.993,207 14.993,208 14.993,209 14.656,210 14.213,211 9.78,212 15.184,213 10.816,214 10.816,215 10.816,216 10.816,217 10.816,218 10.215,219 12.676,220 4.667,221 11.063,222 4.429,223 3.417,224 1.913,225 1.114,226 0.763,227 0.623,228 3.809,230 1,231 606,232 5,236 2.219,237 29.007,239 0.83,240 0.83,241 1,242 1,243 0.83,244 0.5,245 0.86,246 51,247 323,248 3.904,249 4.24,250 5.874,251 3.698,252 2.718,253 3.07,254 2.341,255 7.941,256 2.655,257 3.531,258 3.593,259 5.034,260 3.304,261 2.38,262 2.693,263 2.271,264 6.089,265 2.201,266 3.38,267 3.186,268 4.662,269 3.196,270 2.188,271 2.38,272 1.203,273 5.167,274 2.178,275 2.863,276 2.707,277 4.049,278 2.853,279 1.858,280 1.863,281 0.8,282 3.843,283 1.847,284 2.632,285 1.866,286 3.813,287 2.569,288 1.576,289 1.614,291 3.434,292 1.561,293 2.464,294 1.56,295 5.495}
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