@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4788

@attribute molecule_id {CHEMBL1201794,CHEMBL131861,CHEMBL131915,CHEMBL132700,CHEMBL132701,CHEMBL132705,CHEMBL132820,CHEMBL132869,CHEMBL133135,CHEMBL134046,CHEMBL134100,CHEMBL134411,CHEMBL134569,CHEMBL134581,CHEMBL134761,CHEMBL134861,CHEMBL135017,CHEMBL135113,CHEMBL135212,CHEMBL135230,CHEMBL135231,CHEMBL135330,CHEMBL135476,CHEMBL135535,CHEMBL135541,CHEMBL135816,CHEMBL135995,CHEMBL264881,CHEMBL334500,CHEMBL335191,CHEMBL335644,CHEMBL335859,CHEMBL336282,CHEMBL336641,CHEMBL336984,CHEMBL337170,CHEMBL337302,CHEMBL337741,CHEMBL338732,CHEMBL340053,CHEMBL422985,CHEMBL434823}
@attribute SpMin3_Bh.m. numeric
@attribute IDDE numeric
@attribute SpMin1_Bh.e. numeric
@attribute BIC0 numeric
@attribute SpMin4_Bh.e. numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute SIC0 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 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.013 numeric
@attribute C.016 numeric
@attribute C.019 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.033 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute CATS2D_01_AA 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_DD 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_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_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN 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_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_AN numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN 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_DD 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_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN 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 pXC50 numeric

@data
{1 1.722,2 4.543,3 1.98,4 0.317,5 1.412,6 5.248,7 5.364,8 0.331,9 1.888,10 10.452,11 -0.585,12 0.342,13 105.596,14 8.777,15 0.182,16 4.09,17 4.18,18 3.895,19 3.524,20 5.332,21 3.544,22 4.633,23 4.752,24 4.209,25 3.9,26 6.22,27 3.921,28 4.899,29 5.045,30 4.274,31 4.088,32 6.315,33 4.085,34 5.031,35 5.213,36 4.277,37 4.136,38 6.389,39 4.101,40 5.055,41 5.262,42 4.307,43 4.129,44 6.425,45 4.097,46 5.009,47 5.175,48 4.306,49 4.096,50 6.478,51 4.092,52 5.013,53 5.177,54 4.268,55 4.046,56 6.595,57 4.039,58 4.997,59 5.188,60 4.063,61 3.906,62 6.463,63 3.873,64 0.515,65 0.757,66 12.325,67 4.985,68 74.605,69 4.781,70 1.192,71 1.16,72 20.348,73 7.789,74 159.204,75 8.723,76 1.423,77 1.429,78 27.766,79 9.904,80 200.475,81 11.198,82 1.675,83 1.513,84 34.759,85 11.118,86 233.336,87 13.635,88 1.732,89 1.503,90 39.302,91 11.427,92 240.695,93 14.434,94 1.69,95 1.432,96 34.153,97 10.514,98 244.815,99 11.912,100 1.747,101 1.37,102 34.724,103 10.711,104 276.62,105 12.684,106 1.845,107 1.208,108 35.121,109 9.699,110 267.295,111 11.588,112 108,113 50,114 0.689,115 0.816,116 0.86,117 0.881,118 0.901,119 3.472,120 0.96,121 -0.61,122 -0.73,123 -0.87,124 32.7,125 2,129 2,130 3,134 2,135 2,136 2,139 1,141 2,142 1,145 2,146 2,147 5,149 3,150 2,152 7,153 1,155 6,157 3,158 4,159 3,160 2,162 4,164 4,165 5,167 3,168 1,170 1,173 1,174 5,176 4,177 2,178 2,179 1,182 1,183 5,185 3,186 2,187 5,188 1,192 5,193 1,194 5,195 3,196 7,199 2,200 4,202 5,203 1,204 6,208 1,209 3,210 1,211 2,212 1,213 3,216 1,217 1738,218 19.394,219 19.394,220 19.394,221 19.394,222 19.394,223 17.808,224 24.146,225 10.799,226 19.729,227 16.207,228 16.207,229 16.207,230 16.207,231 16.207,232 13.521,233 31.639,234 5.129,235 16.835,236 3.813,237 4.699}
{0 CHEMBL131861,1 1.527,2 3.682,3 1.916,4 0.268,5 0.951,6 4.582,7 4.582,8 0.291,9 1.416,10 7.789,11 2.602,12 6.769,13 70.435,14 8.767,15 0.571,16 3.517,17 3.573,18 3.201,19 3.121,20 4.838,21 3.138,22 3.936,23 4.004,24 3.579,25 3.478,26 5.255,27 3.493,28 4.191,29 4.3,30 3.662,31 3.508,32 5.706,33 3.518,34 4.159,35 4.301,36 3.428,37 3.337,38 5.529,39 3.339,40 3.937,41 4.078,42 3.271,43 3.145,44 5.414,45 3.158,46 3.778,47 3.903,48 3.105,49 3.058,50 5.292,51 3.05,52 3.625,53 3.76,54 2.895,55 2.96,56 4.959,57 2.925,58 3.548,59 3.717,60 2.647,61 2.788,62 4.826,63 2.715,64 0.115,65 0.326,66 4.153,67 2.638,68 16.499,69 2.436,70 0.126,71 0.505,72 6.223,73 4.127,74 16.556,75 4.085,76 0.496,77 0.656,78 11.003,79 5.363,80 54.183,81 5.597,82 0.468,83 0.642,84 12.558,85 5.256,86 60.496,87 5.191,88 0.388,89 0.511,90 10.161,91 4.186,92 54.307,93 4.183,94 0.337,95 0.433,96 8.004,97 3.527,98 54.184,99 3.39,100 0.206,101 0.377,102 6.6,103 3.11,104 31.05,105 3.101,106 0.166,107 0.357,108 6.471,109 3.002,110 22.35,111 3.337,112 10,113 30,114 0.564,115 0.703,116 0.818,117 0.867,118 0.867,119 3.011,120 0.815,121 -3,122 -3,123 -2.9,124 51.7,132 1,133 1,134 7,135 2,136 3,140 1,147 9,150 3,154 1,155 9,157 1,158 4,159 1,160 1,161 3,162 6,165 5,167 1,169 2,171 3,174 4,176 1,178 1,180 4,183 3,185 1,187 2,189 5,192 1,196 3,197 5,204 4,206 3,213 3,215 1,217 389,218 12.776,219 12.776,220 12.776,221 12.776,222 12.776,223 10.931,224 8.116,225 7.444,226 12.912,227 10.33,228 10.33,229 10.33,230 10.33,231 10.33,232 7.577,233 8.784,234 3.538,235 10.6,236 3.442,237 5.456}
{0 CHEMBL131915,1 1.527,2 4.096,3 1.932,4 0.272,5 1.119,6 4.938,7 5,8 0.295,9 1.477,10 8.045,11 2.206,12 4.867,13 77.193,14 9.321,15 0.5,16 3.628,17 3.671,18 3.341,19 3.193,20 5.033,21 3.235,22 4.038,23 4.086,24 3.742,25 3.559,26 5.549,27 3.599,28 4.302,29 4.386,30 3.856,31 3.633,32 5.885,33 3.675,34 4.339,35 4.445,36 3.72,37 3.524,38 5.855,39 3.568,40 4.219,41 4.344,42 3.55,43 3.35,44 5.765,45 3.396,46 4.046,47 4.158,48 3.465,49 3.245,50 5.674,51 3.284,52 3.903,53 3.997,54 3.367,55 3.156,56 5.642,57 3.199,58 3.771,59 3.89,60 3.129,61 3.033,62 5.232,63 3.039,64 0.235,65 0.369,66 3.963,67 2.917,68 37.493,69 2.272,70 0.343,71 0.564,72 5.541,73 4.501,74 57.437,75 3.96,76 0.679,77 0.727,78 10.308,79 5.833,80 88.79,81 5.393,82 0.737,83 0.749,84 12.486,85 5.992,86 104.674,87 5.045,88 0.726,89 0.662,90 12.749,91 5.32,92 116.844,93 4.599,94 0.689,95 0.553,96 10.312,97 4.448,98 98.812,99 4.084,100 0.543,101 0.478,102 7.976,103 3.808,104 102.319,105 3.259,106 0.311,107 0.433,108 6.423,109 3.539,110 51.886,111 3.373,112 27,113 35,114 0.598,115 0.754,116 0.86,117 0.91,118 0.921,119 3.148,120 0.788,121 -2.7,122 -2.71,123 -2.64,124 50,132 1,133 1,134 6,135 3,136 3,140 1,141 1,145 1,146 1,147 9,148 1,150 4,152 1,154 2,155 9,156 2,157 1,158 6,159 1,160 1,161 5,162 6,163 3,165 8,167 1,169 5,171 3,172 1,174 5,175 1,176 1,178 2,180 4,182 1,183 3,184 1,185 2,187 2,189 5,190 1,191 1,192 2,194 1,196 4,197 5,198 1,200 1,204 5,205 1,206 3,207 1,209 1,211 1,212 1,213 4,214 1,215 1,217 588,218 14.483,219 14.483,220 14.483,221 14.483,222 14.483,223 12.494,224 10.394,225 8.265,226 14.624,227 11.775,228 11.775,229 11.775,230 11.775,231 11.775,232 8.737,233 10.435,234 3.861,235 12.051,236 3.523,237 4.971}
{0 CHEMBL132700,1 1.79,2 4.061,3 1.913,4 0.26,5 1.385,6 4.76,7 4.76,8 0.278,9 1.437,10 10.045,11 2.934,12 8.609,13 81.646,14 8.286,15 0.5,16 3.716,17 3.781,18 3.352,19 3.262,20 4.983,21 3.279,22 4.176,23 4.274,24 3.722,25 3.606,26 5.432,27 3.624,28 4.401,29 4.524,30 3.811,31 3.657,32 5.84,33 3.673,34 4.352,35 4.485,36 3.612,37 3.575,38 5.671,39 3.562,40 4.268,41 4.44,42 3.459,43 3.472,44 5.599,45 3.432,46 4.171,47 4.359,48 3.28,49 3.355,50 5.478,51 3.296,52 3.939,53 4.11,54 3.159,55 3.201,56 5.165,57 3.153,58 3.845,59 3.998,60 3.097,61 3.066,62 5.157,63 3.033,64 0.129,65 0.43,66 6.06,67 3.5,68 15.612,69 3.541,70 0.216,71 0.679,72 10.798,73 5.565,74 20.397,75 5.925,76 0.648,77 0.814,78 16.085,79 6.641,80 62.2,81 7.138,82 0.511,83 0.78,84 15.315,85 6.384,86 55.302,87 6.742,88 0.433,89 0.731,90 14.994,91 6.119,92 54.53,93 7.179,94 0.435,95 0.662,96 14.306,97 5.579,98 61.193,99 6.682,100 0.32,101 0.529,102 10.624,103 4.449,104 36.039,105 5.303,106 0.267,107 0.476,108 9.134,109 3.971,110 25.107,111 4.633,112 19,113 34,114 0.63,115 0.756,116 0.824,117 0.862,118 0.862,119 3.147,120 0.852,121 -2.98,122 -2.98,123 -2.87,124 47.2,125 1,129 1,132 1,133 1,134 6,135 2,136 4,140 1,147 7,150 6,154 1,155 7,157 1,158 6,159 1,160 1,161 3,162 5,165 6,167 1,169 2,171 4,174 5,176 1,178 1,180 6,183 2,185 1,187 2,189 6,191 1,196 3,197 5,199 1,200 1,204 4,206 2,209 2,213 2,217 628,218 14.801,219 14.801,220 14.801,221 14.801,222 14.801,223 12.984,224 13.508,225 8.634,226 15.154,227 11.762,228 11.762,229 11.762,230 11.762,231 11.762,232 8.965,233 14.598,234 4.007,235 12.296,236 3.733,237 5.237}
{0 CHEMBL132701,1 1.913,2 4.324,3 1.906,4 0.252,5 1.419,6 4.973,7 4.973,8 0.266,9 1.443,10 10.84,11 3.51,12 12.318,13 92.336,14 7.962,15 0.444,16 3.881,17 3.955,18 3.474,19 3.397,20 5.138,21 3.409,22 4.358,23 4.474,24 3.86,25 3.763,26 5.578,27 3.771,28 4.624,29 4.757,30 3.97,31 3.843,32 6.027,33 3.845,34 4.697,35 4.888,36 3.791,37 3.751,38 5.948,39 3.729,40 4.429,41 4.585,42 3.702,43 3.648,44 5.79,45 3.629,46 4.418,47 4.567,48 3.623,49 3.638,50 5.847,51 3.6,52 4.4,53 4.601,54 3.473,55 3.555,56 5.593,57 3.487,58 4.272,59 4.444,60 3.394,61 3.359,62 5.66,63 3.326,64 0.159,65 0.528,66 8.052,67 4.308,68 21.37,69 4.58,70 0.246,71 0.838,72 14.303,73 6.916,74 28.861,75 7.859,76 0.676,77 1.029,78 20.734,79 8.458,80 69.651,81 9.738,82 0.899,83 1.053,84 26.298,85 8.725,86 95.638,87 10.449,88 0.562,89 0.847,90 17.812,91 7.034,92 72.311,93 8.334,94 0.574,95 0.841,96 17.323,97 6.973,98 87.535,99 8.14,100 0.466,101 0.828,102 18.332,103 7.029,104 57.425,105 8.938,106 0.56,107 0.697,108 16.115,109 5.782,110 75.184,111 6.924,112 40,113 39,114 0.619,115 0.766,116 0.833,117 0.868,118 0.868,119 3.267,120 0.868,121 -2.67,122 -2.69,123 -2.62,124 44.2,125 2,127 1,129 1,132 1,133 1,134 5,135 2,136 5,140 1,147 7,150 6,154 3,155 6,157 1,158 7,159 1,160 1,161 5,162 4,165 5,167 2,169 3,171 4,174 4,176 2,178 1,180 8,183 2,185 2,187 4,189 7,191 1,196 5,197 6,199 1,200 1,203 1,204 4,206 4,209 2,212 1,213 2,217 881,218 16.292,219 16.292,220 16.292,221 16.292,222 16.292,223 14.422,224 15.664,225 9.331,226 16.581,227 13.257,228 13.257,229 13.257,230 13.257,231 13.257,232 10.376,233 16.924,234 4.429,235 13.797,236 3.983,237 6.237}
{0 CHEMBL132705,1 1.867,2 4.168,3 1.906,4 0.258,5 1.406,6 4.884,7 4.884,8 0.274,9 1.458,10 10.125,11 3.044,12 9.267,13 87.758,14 8.208,15 0.462,16 3.82,17 3.887,18 3.437,19 3.336,20 5.105,21 3.357,22 4.283,23 4.386,24 3.837,25 3.691,26 5.557,27 3.716,28 4.548,29 4.664,30 3.931,31 3.765,32 5.994,33 3.79,34 4.546,35 4.701,36 3.78,37 3.711,38 5.879,39 3.7,40 4.429,41 4.584,42 3.659,43 3.628,44 5.796,45 3.6,46 4.411,47 4.594,48 3.562,49 3.536,50 5.834,51 3.501,52 4.226,53 4.393,54 3.344,55 3.379,56 5.512,57 3.342,58 4.07,59 4.232,60 3.327,61 3.23,62 5.488,63 3.21,64 0.178,65 0.488,66 7.079,67 3.953,68 21.923,69 4.004,70 0.257,71 0.768,72 12.398,73 6.29,74 27.131,75 6.861,76 0.799,77 0.93,78 18.91,79 7.522,80 72.974,81 7.939,82 0.733,83 0.936,84 20.143,85 7.713,86 82.028,87 8.76,88 0.598,89 0.848,90 17.278,91 7.042,92 70.822,93 8.205,94 0.645,95 0.818,96 18.468,97 6.843,98 92.211,99 8.263,100 0.546,101 0.676,102 15.035,103 5.597,104 72.892,105 6.367,106 0.424,107 0.585,108 12.156,109 4.884,110 48.719,111 5.897,112 39,113 38,114 0.625,115 0.754,116 0.827,117 0.865,118 0.865,119 3.229,120 0.849,121 -2.44,122 -2.47,123 -2.42,124 45,125 2,130 1,132 1,133 1,134 5,135 2,136 5,140 1,147 5,150 7,154 3,155 6,157 1,158 5,159 1,160 1,161 5,162 4,165 5,167 2,169 3,171 6,174 4,176 2,178 1,180 5,183 2,185 2,187 5,189 6,191 1,196 3,197 5,199 1,200 1,203 1,204 4,206 2,209 3,212 1,213 2,217 760,218 15.585,219 15.585,220 15.585,221 15.585,222 15.585,223 13.715,224 16.743,225 8.872,226 15.912,227 12.774,228 12.774,229 12.774,230 12.774,231 12.774,232 9.903,233 19.25,234 4.203,235 13.364,236 3.864,237 6}
{0 CHEMBL132820,1 1.877,2 4.607,3 1.905,4 0.261,5 1.42,6 5.287,7 5.287,8 0.277,9 1.503,10 12.296,11 2.343,12 5.492,13 94.13,14 8.659,15 0.414,16 3.903,17 3.959,18 3.549,19 3.395,20 5.249,21 3.436,22 4.356,23 4.439,24 3.929,25 3.752,26 5.763,27 3.786,28 4.638,29 4.758,30 4.012,31 3.823,32 6.101,33 3.856,34 4.635,35 4.773,36 3.861,37 3.744,38 6.012,39 3.756,40 4.524,41 4.677,42 3.771,43 3.649,44 5.974,45 3.646,46 4.417,47 4.567,48 3.679,49 3.601,50 5.877,51 3.594,52 4.34,53 4.493,54 3.608,55 3.544,56 5.692,57 3.533,58 4.313,59 4.45,60 3.593,61 3.408,62 5.831,63 3.432,64 0.3,65 0.526,66 6.874,67 4.192,68 44.207,69 3.847,70 0.495,71 0.822,72 11.678,73 6.635,74 70.269,75 6.717,76 1.031,77 1.009,78 19.883,79 8.151,80 126.514,81 8.401,82 1.067,83 0.988,84 21.159,85 8.02,86 133.053,87 8.297,88 1.031,89 0.891,90 19.63,91 7.337,92 129.379,93 8.264,94 0.801,95 0.819,96 16.921,97 6.746,98 118.261,99 7.473,100 0.636,101 0.771,102 15.166,103 6.38,104 86.087,105 7.185,106 0.739,107 0.715,108 14.892,109 5.817,110 101.689,111 6.227,112 42,113 41,114 0.643,115 0.804,116 0.883,117 0.919,118 0.919,119 3.339,120 0.831,121 -1.9,122 -1.96,123 -1.96,124 44.2,126 2,129 1,132 1,133 1,134 5,135 2,136 5,140 1,141 1,145 1,146 1,147 6,148 1,150 7,152 1,154 4,155 5,156 1,157 1,158 7,159 1,160 1,161 6,162 4,165 5,166 1,167 2,169 3,171 4,173 1,174 4,176 3,178 1,180 6,183 2,185 2,187 4,189 6,190 2,191 1,192 2,196 6,197 5,198 1,199 1,200 2,203 1,204 5,205 1,206 3,207 1,209 3,211 1,212 2,213 3,216 1,217 1167,218 17.706,219 17.706,220 17.706,221 17.706,222 17.706,223 15.63,224 18.806,225 10.317,226 18.018,227 14.257,228 14.257,229 14.257,230 14.257,231 14.257,232 11.055,233 20.124,234 4.906,235 14.819,236 3.924,237 5.959}
{0 CHEMBL132869,1 1.504,2 4.022,3 1.91,4 0.298,5 0.942,6 4.582,7 4.582,8 0.325,9 1.578,10 8.55,11 2.807,12 7.88,13 70.651,14 9.388,15 0.545,16 3.532,17 3.583,18 3.26,19 3.118,20 4.914,21 3.154,22 3.956,23 4.017,24 3.659,25 3.474,26 5.382,27 3.516,28 4.221,29 4.32,30 3.742,31 3.503,32 5.834,33 3.547,34 4.182,35 4.317,36 3.483,37 3.333,38 5.623,39 3.359,40 3.947,41 4.084,42 3.326,43 3.143,44 5.47,45 3.175,46 3.801,47 3.918,48 3.175,49 3.054,50 5.374,51 3.072,52 3.656,53 3.778,54 3.071,55 2.956,56 5.166,57 2.959,58 3.596,59 3.743,60 2.95,61 2.778,62 5.277,63 2.782,64 0.195,65 0.398,66 3.373,67 2.674,68 29.159,69 2.183,70 0.262,71 0.63,72 4.942,73 4.19,74 35.772,75 3.67,76 0.697,77 0.813,78 9.967,79 5.451,80 86.569,81 4.899,82 0.692,83 0.735,84 11.92,85 5.31,86 98.163,87 4.661,88 0.516,89 0.542,90 9.654,91 4.2,92 72.585,93 4.03,94 0.47,95 0.506,96 7.419,97 3.567,98 77.116,99 3.017,100 0.393,101 0.455,102 6.062,103 3.148,104 55.254,105 2.9,106 0.365,107 0.465,108 6.07,109 3.055,110 62.569,111 3.066,112 17,113 32,114 0.62,115 0.748,116 0.836,117 0.867,118 0.867,119 3.058,120 0.792,121 -3.4,122 -3.38,123 -3.23,124 51.7,132 1,133 1,134 6,135 2,136 4,140 1,147 7,150 3,154 1,155 7,157 1,158 4,159 1,160 1,161 3,162 5,165 5,167 1,169 2,171 2,174 4,176 1,178 1,180 4,183 2,185 1,187 2,189 5,196 3,197 4,204 4,206 2,213 2,217 462,218 13.223,219 13.223,220 13.223,221 13.223,222 13.223,223 11.354,224 9.744,225 7.53,226 13.422,227 10.796,228 10.796,229 10.796,230 10.796,231 10.796,232 7.982,233 9.447,234 3.574,235 11.192,236 3.28,237 4.222}
{0 CHEMBL133135,1 1.914,2 4.404,3 1.906,4 0.252,5 1.423,6 5.176,7 5.176,8 0.266,9 1.443,10 11.44,11 3.647,12 13.298,13 92.465,14 7.962,15 0.444,16 3.881,17 3.955,18 3.474,19 3.397,20 5.131,21 3.409,22 4.358,23 4.473,24 3.842,25 3.754,26 5.575,27 3.759,28 4.621,29 4.77,30 3.956,31 3.82,32 6.002,33 3.825,34 4.613,35 4.773,36 3.798,37 3.738,38 5.918,39 3.723,40 4.5,41 4.679,42 3.682,43 3.638,44 5.814,45 3.614,46 4.382,47 4.534,48 3.612,49 3.595,50 5.817,51 3.567,52 4.333,53 4.506,54 3.465,55 3.546,56 5.547,57 3.486,58 4.297,59 4.483,60 3.432,61 3.405,62 5.645,63 3.36,64 0.159,65 0.528,66 8.052,67 4.308,68 22.178,69 4.58,70 0.242,71 0.837,72 14.244,73 6.913,74 27.039,75 7.857,76 0.72,77 1.016,78 21.654,79 8.377,80 76.827,81 9.821,82 0.749,83 0.988,84 22.345,85 8.129,86 81.135,87 9.404,88 0.67,89 0.889,90 20.481,91 7.394,92 80.391,93 8.922,94 0.579,95 0.804,96 17.017,97 6.659,98 89.675,99 7.766,100 0.44,101 0.781,102 16.262,103 6.566,104 55.545,105 8.005,106 0.494,107 0.731,108 16.381,109 6.142,110 62.66,111 7.707,112 30,113 38,114 0.619,115 0.785,116 0.868,117 0.904,118 0.904,119 3.267,120 0.884,121 -2.67,122 -2.69,123 -2.62,124 44.2,125 1,126 2,129 1,132 1,133 1,134 5,135 2,136 5,140 1,147 7,150 6,154 3,155 6,157 1,158 6,159 1,160 1,161 5,162 4,165 6,167 2,169 3,171 4,174 4,176 2,178 1,180 6,183 2,185 2,187 4,189 8,191 1,196 4,197 6,199 1,200 1,203 1,204 5,206 4,209 2,212 1,213 2,215 1,217 900,218 16.715,219 16.715,220 16.715,221 16.715,222 16.715,223 14.845,224 15.664,225 9.852,226 17.021,227 13.24,228 13.24,229 13.24,230 13.24,231 13.24,232 10.358,233 16.924,234 4.631,235 13.796,236 3.983,237 6.347}
{0 CHEMBL134046,1 1.556,2 4.222,3 1.941,4 0.261,5 1.207,6 4.851,7 4.851,8 0.281,9 1.406,10 7.85,11 3.088,12 9.535,13 75.476,14 8.384,15 0.545,16 3.599,17 3.665,18 3.248,19 3.196,20 4.885,21 3.202,22 4.04,23 4.134,24 3.636,25 3.561,26 5.302,27 3.566,28 4.276,29 4.383,30 3.744,31 3.631,32 5.758,33 3.63,34 4.323,35 4.476,36 3.516,37 3.525,38 5.625,39 3.491,40 4.176,41 4.365,42 3.371,43 3.33,44 5.51,45 3.303,46 3.974,47 4.115,48 3.257,49 3.215,50 5.422,51 3.206,52 3.851,53 3.992,54 3.033,55 3.15,56 5.157,57 3.102,58 3.705,59 3.86,60 2.876,61 3.01,62 4.968,63 2.938,64 0.098,65 0.368,66 5.14,67 3.017,68 13.937,69 3.042,70 0.113,71 0.585,72 8.573,73 4.847,74 16.004,75 5.281,76 0.464,77 0.726,78 12.421,79 5.967,80 50.563,81 6.484,82 0.437,83 0.769,84 15.093,85 6.367,86 53.872,87 6.905,88 0.391,89 0.671,90 14.528,91 5.638,92 58.303,93 6.655,94 0.384,95 0.531,96 10.893,97 4.347,98 53,99 4.475,100 0.257,101 0.476,102 9.065,103 3.93,104 45.042,105 4.036,106 0.124,107 0.422,108 7.298,109 3.557,110 15.994,111 4.117,112 17,113 32,114 0.634,115 0.763,116 0.865,117 0.9,118 0.9,119 3.059,120 0.835,121 -3.25,122 -3.24,123 -3.11,124 50,125 1,132 1,133 1,134 6,135 3,136 3,140 1,147 10,150 3,154 1,155 11,157 1,158 4,159 1,160 1,161 3,162 9,165 5,167 1,169 2,171 4,174 5,176 1,178 1,180 4,183 4,185 1,187 2,189 6,192 1,196 3,197 6,204 5,206 4,213 4,215 1,217 450,218 13.276,219 13.276,220 13.276,221 13.276,222 13.276,223 11.378,224 10.541,225 7.586,226 13.412,227 10.791,228 10.791,229 10.791,230 10.791,231 10.791,232 7.964,233 10.255,234 3.569,235 11.061,236 3.594,237 5.398}
{0 CHEMBL134100,1 1.527,2 4.222,3 1.908,4 0.274,5 0.951,6 4.907,7 4.907,8 0.297,9 1.459,10 7.85,11 2.334,12 5.449,13 72.129,14 9.008,15 0.545,16 3.564,17 3.613,18 3.255,19 3.132,20 4.934,21 3.165,22 3.969,23 4.026,24 3.648,25 3.494,26 5.343,27 3.528,28 4.241,29 4.332,30 3.76,31 3.538,32 5.821,33 3.576,34 4.243,35 4.368,36 3.523,37 3.39,38 5.67,39 3.411,40 4.044,41 4.187,42 3.386,43 3.201,44 5.555,45 3.225,46 3.873,47 3.983,48 3.283,49 3.098,50 5.543,51 3.129,52 3.724,53 3.847,54 3.038,55 3.015,56 5.122,57 3.008,58 3.644,59 3.774,60 2.92,61 2.846,62 5.187,63 2.832,64 0.186,65 0.347,66 4.201,67 2.767,68 27.64,69 2.308,70 0.204,71 0.531,72 5.825,73 4.281,74 27.352,75 3.955,76 0.603,77 0.683,78 10.735,79 5.503,80 69.579,81 5.277,82 0.639,83 0.683,84 12.978,85 5.511,86 86.707,87 4.94,88 0.568,89 0.563,90 11.489,91 4.608,92 77.544,93 4.707,94 0.497,95 0.466,96 8.647,97 3.751,98 80.29,99 3.459,100 0.301,101 0.412,102 7.041,103 3.354,104 48.997,105 3.107,106 0.309,107 0.379,108 6.466,109 3.109,110 47.096,111 3.143,112 17,113 32,114 0.58,115 0.728,116 0.855,117 0.922,118 0.922,119 3.059,120 0.798,121 -2.48,122 -2.51,123 -2.46,124 50,132 1,133 1,134 6,135 2,136 4,140 1,147 7,150 3,154 3,155 6,157 1,158 4,159 1,160 1,161 6,162 5,165 4,167 1,169 3,171 3,174 3,176 2,178 1,180 3,183 3,185 2,187 3,189 4,192 1,196 3,197 4,203 1,204 4,206 3,212 1,213 3,215 1,217 450,218 13.276,219 13.276,220 13.276,221 13.276,222 13.276,223 11.378,224 10.273,225 7.586,226 13.445,227 10.791,228 10.791,229 10.791,230 10.791,231 10.791,232 7.964,233 9.947,234 3.569,235 11.132,236 3.448,237 6.097}
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