@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4334

@attribute molecule_id {CHEMBL12566,CHEMBL129525,CHEMBL12955,CHEMBL13078,CHEMBL13178,CHEMBL13215,CHEMBL13288,CHEMBL13319,CHEMBL13376,CHEMBL13463,CHEMBL154,CHEMBL1907833,CHEMBL1907834,CHEMBL1907835,CHEMBL2092862,CHEMBL2092863,CHEMBL273372,CHEMBL273606,CHEMBL273700,CHEMBL274572,CHEMBL274833,CHEMBL275241,CHEMBL275312,CHEMBL337134,CHEMBL416343,CHEMBL427657,CHEMBL469,CHEMBL521,CHEMBL6}
@attribute GATS7i numeric
@attribute GATS5p numeric
@attribute GATS5v numeric
@attribute MATS5v numeric
@attribute MATS7p numeric
@attribute SdO numeric
@attribute GATS2i numeric
@attribute SpMAD_EA numeric
@attribute GATS8s numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute CATS2D_01_AN 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_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_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_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL 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_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_AN 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 CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 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.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.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.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 pXC50 numeric

@data
{1 1.073,2 0.936,3 0.944,4 0.028,5 -0.087,6 13.784,7 1.016,8 1.514,9 0.571,10 1.426,11 10.742,12 4.274,13 18.269,14 122.031,15 7.273,16 0.6,17 4.144,18 4.252,19 3.702,20 3.72,21 5.198,22 3.693,23 4.704,24 4.864,25 4.08,26 4.132,27 5.735,28 4.091,29 4.965,30 5.16,31 4.172,32 4.314,33 5.945,34 4.241,35 5.047,36 5.249,37 4.156,38 4.355,39 6.054,40 4.256,41 5.109,42 5.338,43 4.102,44 4.311,45 6.127,46 4.211,47 5.053,48 5.282,49 4.079,50 4.299,51 6.028,52 4.197,53 4.995,54 5.202,55 4.075,56 4.336,57 5.925,58 4.224,59 5.067,60 5.298,61 3.984,62 4.302,63 5.966,64 4.162,65 0.032,66 0.775,67 11.885,68 5.473,69 10.796,70 7.008,71 0.296,72 1.332,73 22.974,74 8.942,75 27.911,76 11.75,77 0.435,78 1.683,79 31.238,80 12.014,81 33.598,82 16.013,83 0.231,84 1.783,85 33.595,86 13.958,87 38.9,88 18.81,89 0.396,90 1.845,91 38.004,92 14.184,93 70.178,94 19.041,95 0.495,96 1.779,97 35.759,98 13.294,99 61.84,100 18.08,101 0.253,102 1.719,103 31.799,104 13.342,105 36.129,106 18.176,107 0.157,108 1.786,109 35.109,110 14.705,111 35.079,112 20.25,113 10,114 50,115 0.231,116 0.535,117 0.693,118 0.827,119 0.883,120 0.902,121 3.473,122 0.922,123 -4.28,124 -4.22,125 -3.98,126 45.6,127 1,131 5,133 1,136 11,137 5,140 2,141 1,145 16,148 6,150 1,152 21,154 2,155 5,157 1,159 20,161 1,162 7,166 16,169 11,172 16,174 1,175 7,177 1,179 15,181 1,182 5,185 15,188 7,190 4,191 11,194 5,196 2,197 5,199 1626,200 21.328,201 21.328,202 21.328,203 21.328,204 21.328,205 18.782,206 14.016,207 12.548,208 21.58,209 17.277,210 17.277,211 17.277,212 17.277,213 17.277,214 13.414,215 14.521,216 5.923,217 17.675,218 4.407,219 2.529,220 1.551,221 0.721,222 0.377,223 0.259,224 4.183,227 739,228 3.162,229 61.273,230 313.026,232 117.282,233 121.807,234 1.815,235 25.993,238 1,239 1,240 0.8,241 0.5,242 0.9,243 66,244 333,245 4.805,246 3.702,247 7.149,248 4.382,249 3.397,250 4.755,251 1.216,252 12.444,253 3.355,254 4.518,255 3.228,256 6.654,257 4.054,258 3.06,259 4.451,260 0.8,261 10.657,262 3.036,263 3.887,264 3.113,265 6.025,266 3.599,267 2.656,268 3.357,270 8.369,271 2.512,272 3.667,273 2.849,274 5.618,275 3.475,276 2.472,277 2.996,279 7.452,280 2.468,281 3.559,282 2.536,283 5.493,284 3.156,285 2.186,286 2.749,287 6.922,288 2.116,289 3.369,290 2.274,291 5.368,292 2.969,293 1.993,294 2.635,295 6.275,296 1.945,297 3.118,298 2.014,299 4.748,300 2.87,301 1.903,302 2.427,303 5.298,304 1.83,305 2.98,306 1.838,307 4.443,308 2.618,309 1.618,310 1.998,311 3.953,312 1.618,313 2.845,314 1.654,315 3.998,316 2.349,317 1.355,318 1.981,319 3.266,320 1.347,321 2.825,322 1.618,323 3.766,324 2.338,325 1.321,326 1.95,327 2.96,328 1.34,329 2.738,330 1.4,331 3.623,332 2.235,333 1.225,334 1.821,335 2.779,336 1.235,337 2.35,338 1.266,339 3.574,340 2.159,341 6.244}
{0 CHEMBL129525,1 1.11,2 0.882,3 0.882,4 0.109,5 -0.134,7 0.958,8 1.473,9 1.109,10 1.254,11 9.875,12 3.975,13 15.803,14 101.763,15 6.754,16 0.444,17 3.928,18 4.044,19 3.437,20 3.542,21 4.888,22 3.489,23 4.488,24 4.661,25 3.744,26 3.941,27 5.375,28 3.862,29 4.728,30 4.953,31 3.72,32 4.07,33 5.516,34 3.937,35 4.744,36 4.993,37 3.59,38 4.043,39 5.451,40 3.87,41 4.723,42 4.992,43 3.57,44 3.966,45 5.436,46 3.806,47 4.616,48 4.851,49 3.618,50 3.954,51 5.403,52 3.819,53 4.616,54 4.843,55 3.585,56 3.957,57 5.415,58 3.811,59 4.623,60 4.87,61 3.392,62 3.848,63 5.388,64 3.671,65 0.046,66 0.605,67 10.494,68 4.686,69 6.681,70 6.368,71 0.166,72 1.051,73 19.517,74 7.753,75 15.809,76 10.583,77 0.242,78 1.309,79 25.294,80 10.367,81 21.122,82 14.473,83 0.111,84 1.309,85 25.417,86 11.314,87 16.552,88 15.996,89 0.152,90 1.273,91 25.434,92 10.731,93 19.958,94 15.181,95 0.131,96 1.159,97 22.425,98 9.604,99 18.666,100 13.455,101 0.116,102 1.171,103 22.257,104 9.587,105 18.034,106 13.48,107 0.129,108 1.146,109 22.814,110 9.692,111 20.251,112 13.555,114 36,115 0.214,116 0.501,117 0.659,118 0.753,119 0.81,120 0.832,121 3.229,122 0.975,123 -5.08,124 -4.98,125 -4.66,126 46.8,128 1,131 5,134 2,135 2,136 9,137 3,145 19,148 1,152 26,154 1,155 1,159 24,162 2,166 19,169 4,172 16,175 4,179 15,182 4,185 11,188 5,191 5,194 5,197 1,199 826,200 16.913,201 16.913,202 16.913,203 16.913,204 16.913,205 15.122,206 10.68,207 10.429,208 17.189,209 13.409,210 13.409,211 13.409,212 13.409,213 13.409,214 10.739,215 11.373,216 5.032,217 13.815,218 4.301,219 2.619,220 1.695,221 1.141,222 0.809,223 0.681,224 3.935,226 1,227 524,228 2.449,229 48.621,230 203.82,232 92.243,234 1.635,235 8.935,237 1,238 1,239 1,240 0.8,241 0.5,242 0.9,243 49.5,244 237,245 4.567,246 3.255,247 6.753,248 4.199,249 3.199,250 4.203,251 0.86,252 11.09,253 3.199,254 3.95,255 2.885,256 5.642,257 3.543,258 2.556,259 3.508,260 0.8,261 7.563,262 2.539,263 3.565,264 2.555,265 5.355,266 3.435,267 2.502,268 2.758,270 6.99,271 2.319,272 3.413,273 2.276,274 5.258,275 3.079,276 2.085,277 2.695,279 6.433,280 2.066,281 3.386,282 2.109,283 4.826,284 2.883,285 1.885,286 2.479,287 5.231,288 1.881,289 2.875,290 1.9,291 3.79,292 2.436,293 1.5,294 2.033,295 3.19,296 1.435,297 2.713,298 1.436,299 3.631,300 2.381,301 1.435,302 1.773,303 3.087,304 1.323,305 2.538,306 1.27,307 3.584,308 2.207,309 1.219,310 1.531,311 2.804,312 1.196,313 2.5,314 1.256,315 3.523,316 2,317 1,318 1.5,319 2.49,320 1,321 2.443,322 1.06,323 3.247,324 1.988,325 1,326 1.38,327 2.136,328 0.985,329 2,330 1,331 3.247,332 1.952,333 1,334 1,335 2.136,336 0.946,337 1.722,338 0.629,339 3.058,340 1.477,341 4.699}
{0 CHEMBL12955,1 1.107,2 0.947,3 0.935,4 0.048,5 -0.133,6 13.327,7 1.034,8 1.492,9 0.984,10 1.433,11 11.071,12 3.423,13 11.716,14 112.695,15 6.864,16 0.516,17 4.092,18 4.218,19 3.6,20 3.624,21 5.101,22 3.591,23 4.659,24 4.853,25 3.939,26 4.021,27 5.587,28 3.969,29 4.89,30 5.11,31 4.027,32 4.197,33 5.811,34 4.113,35 4.983,36 5.203,37 3.986,38 4.24,39 5.932,40 4.121,41 5.025,42 5.281,43 3.929,44 4.195,45 5.932,46 4.07,47 4.963,48 5.212,49 3.919,50 4.176,51 5.885,52 4.056,53 4.898,54 5.125,55 3.854,56 4.173,57 5.784,58 4.038,59 4.934,60 5.188,61 3.738,62 4.091,63 5.771,64 3.932,65 0.039,66 0.793,67 12.409,68 5.134,69 7.922,70 7.094,71 0.221,72 1.31,73 23.512,74 8.12,75 19.735,76 11.666,77 0.319,78 1.588,79 30.041,80 10.882,81 28.468,82 15.461,83 0.266,84 1.656,85 32.843,86 12.883,87 38.441,88 18.058,89 0.315,90 1.68,91 35.224,92 12.696,93 48.794,94 18.294,95 0.433,96 1.618,97 33.012,98 11.865,99 50.559,100 17.125,101 0.249,102 1.538,103 30.045,104 11.991,105 34.625,106 16.973,107 0.253,108 1.506,109 31.826,110 12.326,111 35.475,112 17.593,113 11,114 43,115 0.236,116 0.532,117 0.685,118 0.806,119 0.829,120 0.829,121 3.375,122 0.957,123 -3.67,124 -3.64,125 -3.46,126 41.8,127 1,130 1,131 6,136 8,137 3,138 1,140 2,141 1,145 9,148 8,152 11,154 1,155 7,157 1,159 10,161 1,162 7,166 9,169 8,172 10,174 1,175 6,177 1,179 9,181 1,182 3,185 6,187 1,188 4,190 4,191 2,194 4,196 2,199 1282,200 19.336,201 19.336,202 19.336,203 19.336,204 19.336,205 17.354,206 19.231,207 11.452,208 19.79,209 15.217,210 15.217,211 15.217,212 15.217,213 15.217,214 12.123,215 22.074,216 5.339,217 15.823,218 4.349,219 2.556,220 1.623,221 0.891,222 0.755,223 0.755,224 4.073,227 672,228 3.162,229 60.044,230 246.29,232 113.972,234 1.801,235 20.026,237 1,238 1,239 1,240 0.8,241 0.5,242 0.9,243 59.5,244 310,245 4.794,246 3.683,247 7.131,248 4.364,249 3.383,250 4.746,251 0.86,252 12.38,253 3.328,254 4.178,255 3.195,256 6.26,257 3.789,258 2.793,259 3.777,260 0.8,261 9.195,262 2.775,263 3.778,264 2.843,265 5.625,266 3.449,267 2.524,268 3.209,269 0.4,270 7.201,271 2.335,272 3.606,273 2.817,274 5.531,275 3.361,276 2.405,277 2.989,279 6.975,280 2.29,281 3.484,282 2.284,283 5.33,284 3.133,285 2.164,286 2.67,287 6.798,288 2.09,289 3.337,290 2.074,291 5.236,292 2.928,293 1.959,294 2.496,295 6.282,296 1.889,297 2.832,298 1.944,299 4.143,300 2.438,301 1.51,302 1.988,303 3.21,304 1.4,305 2.694,306 1.809,307 3.804,308 2.349,309 1.354,310 1.694,311 3.098,312 1.347,313 2.538,314 1.4,315 3.627,316 2.196,317 1.178,318 1.534,319 2.942,320 1.189,321 2.5,322 1.149,323 3.56,324 2,325 1,326 1.5,327 2.381,328 1,329 2.26,330 1.146,331 3.414,332 1.967,333 1,334 1.167,335 2.275,336 0.965,337 2,338 1.066,339 3.247,340 1.949,341 5.854}
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{0 CHEMBL13178,1 1.132,2 0.931,3 0.927,4 0.058,5 -0.16,6 13.319,7 0.998,8 1.492,9 0.96,10 1.44,11 11.071,12 3.689,13 13.609,14 111.015,15 7.009,16 0.516,17 4.079,18 4.193,19 3.607,20 3.609,21 5.104,22 3.583,23 4.65,24 4.83,25 3.943,26 3.996,27 5.602,28 3.956,29 4.855,30 5.056,31 4.028,32 4.171,33 5.808,34 4.098,35 4.952,36 5.161,37 3.987,38 4.226,39 5.92,40 4.113,41 5.022,42 5.274,43 3.931,44 4.185,45 5.938,46 4.065,47 4.947,48 5.188,49 3.922,50 4.162,51 5.886,52 4.048,53 4.879,54 5.097,55 3.858,56 4.16,57 5.782,58 4.031,59 4.925,60 5.172,61 3.75,62 4.066,63 5.784,64 3.918,65 0.016,66 0.747,67 11.889,68 5.224,69 7.221,70 6.895,71 0.252,72 1.24,73 23.228,74 8.231,75 21.909,76 11.168,77 0.366,78 1.502,79 28.781,80 10.577,81 29.328,82 14.501,83 0.232,84 1.608,85 31.388,86 12.636,87 36.809,88 17.42,89 0.335,90 1.662,91 35.268,92 12.788,93 51.26,94 18.116,95 0.474,96 1.58,97 32.51,98 11.736,99 52.127,100 16.667,101 0.226,102 1.494,103 29.205,104 11.951,105 34.181,106 16.579,107 0.246,108 1.46,109 31.685,110 12.399,111 37.653,112 17.284,113 11,114 43,115 0.238,116 0.538,117 0.721,118 0.819,119 0.825,120 0.825,121 3.375,122 0.944,123 -3.67,124 -3.64,125 -3.46,126 42.6,127 1,130 1,131 6,136 8,137 3,138 1,140 2,141 1,145 9,148 8,152 11,154 2,155 7,159 10,161 1,162 7,166 9,169 8,172 10,174 2,175 6,179 9,181 1,182 3,185 6,187 1,188 8,191 2,194 6,199 1282,200 19.336,201 19.336,202 19.336,203 19.336,204 19.336,205 17.354,206 17.771,207 11.452,208 19.873,209 15.217,210 15.217,211 15.217,212 15.217,213 15.217,214 12.123,215 18.615,216 5.339,217 15.94,218 4.315,219 2.501,220 1.398,221 0.806,222 0.769,223 0.769,224 4.073,227 672,228 3.162,229 60.044,230 246.29,232 113.972,234 1.801,235 21.826,237 1,238 1,239 1,240 0.8,241 0.5,242 0.9,243 60,244 310,245 4.794,246 3.683,247 7.131,248 4.364,249 3.383,250 4.746,251 0.86,252 12.38,253 3.328,254 4.178,255 3.195,256 6.26,257 3.789,258 2.793,259 3.777,260 0.86,261 9.195,262 2.775,263 3.778,264 2.879,265 5.625,266 3.444,267 2.524,268 3.209,269 0.8,270 7.201,271 2.326,272 3.606,273 2.818,274 5.531,275 3.36,276 2.405,277 2.989,279 6.975,280 2.285,281 3.484,282 2.294,283 5.33,284 3.132,285 2.164,286 2.67,287 6.798,288 2.087,289 3.337,290 2.171,291 5.236,292 2.927,293 1.959,294 2.496,295 6.282,296 1.888,297 2.832,298 2.046,299 4.143,300 2.386,301 1.51,302 1.988,303 3.21,304 1.347,305 2.694,306 1.928,307 3.804,308 2.349,309 1.354,310 1.694,311 3.098,312 1.317,313 2.538,314 1.4,315 3.627,316 2.196,317 1.178,318 1.534,319 2.942,320 1.189,321 2.5,322 1.256,323 3.56,324 2,325 1,326 1.5,327 2.381,328 1,329 2.26,330 1.16,331 3.414,332 1.952,333 1,334 1.167,335 2.275,336 0.946,337 2,338 1.066,339 3.247,340 1.938,341 4.523}
{0 CHEMBL13215,1 1.015,2 1.062,3 1.013,4 -0.04,5 -0.04,6 23.967,7 1.028,8 1.527,9 1.162,10 1.612,11 7.913,12 3.986,13 15.889,14 83.486,15 8.414,16 0.64,17 3.724,18 3.811,19 3.377,20 3.321,21 5,22 3.321,23 4.209,24 4.332,25 3.767,26 3.7,27 5.554,28 3.692,29 4.486,30 4.647,31 3.884,32 3.822,33 5.819,34 3.809,35 4.552,36 4.703,37 3.871,38 3.814,39 6.046,40 3.803,41 4.489,42 4.658,43 3.772,44 3.757,45 5.826,46 3.731,47 4.453,48 4.622,49 3.715,50 3.675,51 5.846,52 3.652,53 4.393,54 4.581,55 3.515,56 3.521,57 5.908,58 3.476,59 4.171,60 4.393,61 3.15,62 3.264,63 5.467,64 3.187,65 0.091,66 0.541,67 5.652,68 3.416,69 15.788,70 3.678,71 0.243,72 0.888,73 10.492,74 5.488,75 44.945,76 6.263,77 0.426,78 1.151,79 16.623,80 7.224,81 53.766,82 8.188,83 0.649,84 1.179,85 18.483,86 7.678,87 110.671,88 8.028,89 0.389,90 1.061,91 17.54,92 7.637,93 72.676,94 8.632,95 0.453,96 1.074,97 17.122,98 7.185,99 69.417,100 7.984,101 0.62,102 0.967,103 17.691,104 6.796,105 121.202,106 7.626,107 0.36,108 0.86,109 14.789,110 5.839,111 61.39,112 6.758,113 28,114 36,115 0.287,116 0.617,117 0.751,118 0.866,119 0.905,120 0.905,121 3.19,122 0.854,123 -4.59,124 -4.51,125 -4.24,126 48.6,127 1,132 1,136 8,137 3,138 1,139 1,140 1,141 1,142 1,143 1,144 1,145 9,148 6,149 1,150 1,152 10,153 1,154 1,155 5,157 1,158 1,159 8,161 1,162 5,166 8,167 3,169 7,171 3,172 8,173 2,175 6,176 1,178 2,179 8,180 2,181 1,182 3,183 1,184 2,185 7,186 1,188 1,190 1,191 6,192 2,194 2,196 2,197 2,198 1,199 689,200 15.242,201 15.242,202 15.242,203 15.242,204 15.242,205 13.102,206 10.154,207 8.834,208 15.372,209 12.275,210 12.275,211 12.275,212 12.275,213 12.275,214 8.999,215 11.421,216 4.125,217 12.505,218 3.598,219 1.744,220 0.993,221 0.345,222 0.129,223 0.129,224 3.863,226 1,227 382,228 3.464,229 46.152,230 125.561,232 87.426,234 1.149,235 38.206,236 1,237 1,238 1,239 1,240 0.6,242 0.8,243 51,244 182,245 4.723,246 3.786,247 6.972,248 4.299,249 3.319,250 4.655,251 2.374,252 11.81,253 3.264,254 4.3,255 3.651,256 6.512,257 3.927,258 2.946,259 3.919,260 0.159,261 10.012,262 2.878,263 3.9,264 3.105,265 6.068,266 3.597,267 2.613,268 3.2,270 8.423,271 2.559,272 3.58,273 2.854,274 5.493,275 3.15,276 2.159,277 2.952,279 6.604,280 2.125,281 3.24,282 2.274,283 4.899,284 2.745,285 1.771,286 2.498,287 4.947,288 1.71,289 3.019,290 1.758,291 4.474,292 2.542,293 1.541,294 2.23,295 4.094,296 1.538,297 2.859,298 1.661,299 3.865,300 2.38,301 1.414,302 2.011,303 3.029,304 1.351,305 2.688,306 1.396,307 3.62,308 2.202,309 1.212,310 1.766,311 2.806,312 1.196,313 2.529,314 1.315,315 3.59,316 2.052,317 1.048,318 1.495,319 2.614,320 1.046,321 2.218,322 1.105,323 3.406,324 1.715,325 0.694,326 0.985,327 1.684,328 0.7,329 1.766,330 0.707,331 3.017,332 1.369,333 0.373,334 0.494,335 0.883,336 0.368,337 1.092,338 0.393,339 2.44,340 0.656,341 6.523}
{0 CHEMBL13288,1 1.093,2 0.841,3 0.888,4 0.077,5 -0.131,6 13.642,7 0.96,8 1.519,9 0.557,10 1.5,11 10.552,12 4.567,13 20.86,14 119.836,15 7.633,16 0.606,17 4.072,18 4.177,19 3.722,20 3.702,21 5.08,22 3.648,23 4.641,24 4.805,25 4.092,26 4.119,27 5.585,28 4.047,29 4.863,30 5.061,31 4.15,32 4.26,33 5.789,34 4.161,35 4.943,36 5.142,37 4.147,38 4.294,39 5.914,40 4.169,41 4.986,42 5.223,43 4.044,44 4.223,45 5.934,46 4.1,47 4.932,48 5.154,49 4.119,50 4.243,51 5.883,52 4.124,53 4.889,54 5.086,55 4.045,56 4.285,57 5.783,58 4.134,59 4.932,60 5.162,61 3.882,62 4.211,63 5.75,64 4.032,65 0.023,66 0.725,67 11.15,68 5.247,69 6.057,70 6.611,71 0.197,72 1.285,73 23.207,74 9.027,75 16.841,76 11.192,77 0.338,78 1.578,79 29.875,80 11.541,81 24.377,82 14.77,83 0.225,84 1.653,85 33.303,86 13.583,87 30.25,88 17.439,89 0.307,90 1.696,91 35.417,92 13.495,93 49.017,94 17.536,95 0.391,96 1.65,97 33.524,98 12.438,99 46.522,100 16.061,101 0.244,102 1.588,103 32.958,104 13.462,105 31.973,106 16.928,107 0.156,108 1.623,109 34.988,110 14.254,111 25.772,112 18.433,113 5,114 47,115 0.246,116 0.553,117 0.709,118 0.815,119 0.846,120 0.852,121 3.409,122 1.001,123 -4.32,124 -4.26,125 -4.02,126 45.3,127 1,131 6,136 8,137 4,139 1,140 3,141 1,145 10,148 6,152 15,154 2,155 4,159 13,161 1,162 6,166 10,169 9,172 10,174 1,175 6,179 10,181 1,182 4,185 10,188 6,191 8,194 4,197 4,199 1361,200 20.173,201 20.173,202 20.173,203 20.173,204 20.173,205 17.757,206 13.458,207 11.942,208 20.705,209 16.294,210 16.294,211 16.294,212 16.294,213 16.294,214 12.598,215 13.964,216 5.648,217 17.111,218 4.228,219 2.361,220 1.41,221 0.769,222 0.58,223 0.543,224 4.121,227 686,228 3.082,229 112.209,230 228.868,232 214.456,234 1.743,235 19.779,238 1,239 1,240 0.8,241 0.5,242 0.9,243 61,244 306,245 4.808,246 3.704,247 7.15,248 4.382,249 3.4,250 4.758,251 0.86,252 12.447,253 3.348,254 4.544,255 3.231,256 6.669,257 4.051,258 3.085,259 4.492,260 0.8,261 10.711,262 2.98,263 3.862,264 2.892,265 6.023,266 3.476,267 2.539,268 3.315,270 8.351,271 2.415,272 3.606,273 2.85,274 5.614,275 3.4,276 2.434,277 2.991,279 7.087,280 2.301,281 3.48,282 2.294,283 5.349,284 3.131,285 2.164,286 2.675,287 6.8,288 2.084,289 3.313,290 2.167,291 5.312,292 2.864,293 1.887,294 2.496,295 6.109,296 1.836,297 3.046,298 1.992,299 4.426,300 2.471,301 1.546,302 2.319,303 3.918,304 1.415,305 2.844,306 1.753,307 3.99,308 2.389,309 1.51,310 1.994,311 3.21,312 1.347,313 2.824,314 1.545,315 3.802,316 2.349,317 1.355,318 1.937,319 3.19,320 1.336,321 2.549,322 1.4,323 3.63,324 2.329,325 1.316,326 1.554,327 2.954,328 1.309,329 2.507,330 1.256,331 3.593,332 2,333 1.041,334 1.486,335 2.587,336 0.989,337 2.268,338 1.16,339 3.529,340 1.952,341 7.745}
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{0 CHEMBL273700,1 0.948,2 0.969,3 0.972,4 0.026,5 -0.018,6 13.392,7 1.075,8 1.467,9 1.154,10 1.376,11 14.281,12 5.244,13 27.498,14 129.726,15 6.585,16 0.457,17 4.257,18 4.38,19 3.726,20 3.783,21 5.224,22 3.74,23 4.846,24 5.039,25 4.042,26 4.175,27 5.73,28 4.107,29 5.085,30 5.316,31 4.121,32 4.344,33 5.945,34 4.241,35 5.165,36 5.401,37 4.079,38 4.395,39 6.044,40 4.258,41 5.212,42 5.475,43 4.009,44 4.376,45 6.05,46 4.224,47 5.174,48 5.435,49 3.955,50 4.341,51 6.008,52 4.18,53 5.118,54 5.387,55 3.853,56 4.275,57 5.889,58 4.105,59 5.056,60 5.322,61 3.77,62 4.172,63 5.834,64 4.001,65 0.047,66 0.904,67 15.471,68 6.598,69 8.086,70 9.021,71 0.277,72 1.498,73 29.237,74 10.544,75 23.158,76 14.892,77 0.392,78 1.835,79 37.287,80 13.627,81 34.611,82 19.508,83 0.331,84 1.945,85 39.984,86 15.606,87 42.503,88 22.163,89 0.362,90 1.961,91 42.306,92 16.133,93 50.615,94 23.026,95 0.434,96 1.903,97 40.705,98 15.525,99 52.935,100 22.306,101 0.329,102 1.792,103 38.379,104 14.858,105 39.207,106 21.278,107 0.34,108 1.639,109 36.256,110 13.835,111 40.543,112 19.738,113 11,114 47,115 0.219,116 0.503,117 0.712,118 0.813,119 0.833,120 0.842,121 3.502,122 1.008,123 -4.49,124 -4.42,125 -4.16,126 40.9,127 1,128 4,130 1,131 6,136 8,137 3,138 1,140 2,141 1,145 12,148 10,152 13,154 1,155 9,159 11,161 1,162 9,166 13,169 7,172 16,174 1,175 6,179 17,181 1,182 3,185 16,187 1,188 4,191 10,194 7,197 6,199 2050,200 22.165,201 22.165,202 22.165,203 22.165,204 22.165,205 20.182,206 19.815,207 13.439,208 22.7,209 17.217,210 17.217,211 17.217,212 17.217,213 17.217,214 14.123,215 19.133,216 6.312,217 17.942,218 4.668,219 2.882,220 1.568,221 0.932,222 0.811,223 0.75,224 4.2,227 985,228 3.742,229 75.788,230 312.055,232 142.531,234 2.254,235 22.466,238 0.83,239 0.83,240 1,241 1,242 0.95,243 68,244 457,245 4.793,246 3.683,247 7.131,248 4.364,249 3.383,250 4.746,251 0.86,252 12.379,253 3.328,254 4.178,255 3.19,256 6.26,257 3.787,258 2.791,259 3.777,260 0.86,261 9.193,262 2.774,263 3.777,264 2.885,265 5.618,266 3.439,267 2.522,268 3.209,269 0.8,270 7.127,271 2.311,272 3.579,273 2.819,274 5.53,275 3.37,276 2.414,277 2.986,279 6.965,280 2.302,281 3.522,282 2.296,283 5.34,284 3.16,285 2.189,286 2.665,287 6.899,288 2.121,289 3.348,290 2.176,291 5.237,292 2.95,293 1.976,294 2.522,295 6.287,296 1.917,297 2.832,298 2.089,299 4.144,300 2.739,301 1.757,302 1.988,303 3.631,304 1.724,305 2.789,306 1.95,307 3.906,308 2.392,309 1.493,310 1.797,311 3.151,312 1.348,313 2.694,314 1.71,315 3.721,316 2.349,317 1.354,318 1.69,319 3.098,320 1.338,321 2.517,322 1.4,323 3.62,324 2.196,325 1.179,326 1.513,327 2.941,328 1.189,329 2.5,330 1.256,331 3.532,332 2.1,333 1.14,334 1.5,335 2.54,336 1.082,337 2.292,338 1.244,339 3.414,340 2,341 6.301}
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{0 CHEMBL521,1 0.962,2 1.13,3 1.113,4 -0.146,5 -0.019,6 10.762,7 1.05,8 1.461,9 1.66,10 1.252,11 7.067,12 3.582,13 12.831,14 60.732,15 6.252,16 0.4,17 3.524,18 3.648,19 2.902,20 3.071,21 4.591,22 3.001,23 4.055,24 4.252,25 3.213,26 3.441,27 5.135,28 3.333,29 4.333,30 4.553,31 3.23,32 3.589,33 5.322,34 3.446,35 4.458,36 4.735,37 3.102,38 3.524,39 5.43,40 3.352,41 4.236,42 4.496,43 2.882,44 3.317,45 5.254,46 3.142,47 4.038,48 4.338,49 2.431,50 3.011,51 4.879,52 2.791,53 3.609,54 3.913,55 2.211,56 2.662,57 4.289,58 2.464,59 3.467,60 3.698,61 2.234,62 2.561,63 4.468,64 2.43,65 0.035,66 0.409,67 7.678,68 3.527,69 7.296,70 4.7,71 0.162,72 0.652,73 13.109,74 5.695,75 35.357,76 7.85,77 0.116,78 0.819,79 17.332,80 7.124,81 25.94,82 9.886,83 0.196,84 0.844,85 19.688,86 7.338,87 44.979,88 10.402,89 0.14,90 0.683,91 15.756,92 5.93,93 34.743,94 8.372,95 0.133,96 0.531,97 12.767,98 4.652,99 26.62,100 6.705,101 0.052,102 0.356,103 8.094,104 3.141,105 9.569,106 4.557,107 0.094,108 0.302,109 7.378,110 2.575,111 21.19,112 3.553,113 34,114 20,115 0.24,116 0.556,117 0.686,118 0.757,119 0.781,120 0.781,121 2.792,122 1.064,123 -4.46,124 -4.39,125 -4.14,126 39.4,127 3,128 1,129 2,136 4,137 2,142 1,143 1,144 1,145 12,146 1,148 1,150 1,151 1,152 15,153 2,155 2,158 2,159 13,160 2,162 2,165 2,166 10,167 2,169 2,171 2,172 7,173 1,175 1,178 1,179 4,180 1,182 1,184 1,185 3,186 1,188 1,190 1,191 2,192 2,194 2,196 2,199 193,200 9.414,201 9.414,202 9.414,203 9.414,204 9.414,205 8.532,206 10.013,207 5.571,208 9.419,209 7.358,210 7.358,211 7.358,212 7.358,213 7.358,214 6.022,215 9.117,216 2.619,217 7.363,218 3.793,219 2.147,220 1.471,221 1.099,222 0.978,223 0.978,224 3.404,227 203,228 3.317,230 52.419,234 1.404,235 14.013,238 1,239 1,240 1,241 1,242 1,243 32,244 106,245 4.193,246 3.788,247 6.284,248 3.922,249 2.921,250 3.718,251 2.397,252 9.194,253 2.918,254 3.809,255 2.867,256 5.439,257 3.546,258 2.546,259 3.097,260 0.242,261 7.221,262 2.544,263 3.321,264 2.606,265 4.854,266 3.042,267 2.04,268 2.498,270 5.18,271 2.036,272 2.967,273 1.923,274 4.391,275 2.735,276 1.732,277 2,279 4.406,280 1.727,281 2.5,282 1.247,283 3.414,284 2,285 1,286 1.5,287 2.275,288 1,289 2.011,290 1,291 3.212,292 1.727,293 0.72,294 0.852,295 1.61,296 0.714,297 1.131,298 0.437,299 2.473,300 0.919,301 -0.082,302 -0.094,303 -0.199,304 -0.082,305 0.5,306 0.138,307 2,308 0.165,309 -0.835,310 -0.978,311 -2,312 -0.835,313 0.45,314 -0.716,315 1.875,317 -1,318 -1,319 -2,320 -0.961,321 0.395,322 -0.97,323 1.352,325 -1,326 -1.271,327 -2.043,328 -1,330 -1,331 1.231,333 -1,334 -1.5,335 -3,336 -1,337 -0.335,338 -1,339 1,340 -0.41,341 4.886}
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