@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1793

@attribute molecule_id {CHEMBL1084168,CHEMBL1276262,CHEMBL1276263,CHEMBL1276264,CHEMBL224729,CHEMBL242391,CHEMBL242567,CHEMBL242589,CHEMBL242590,CHEMBL242778,CHEMBL242784,CHEMBL243698,CHEMBL244074,CHEMBL244325,CHEMBL244735,CHEMBL244930,CHEMBL244931,CHEMBL244956,CHEMBL245110,CHEMBL387792,CHEMBL387793,CHEMBL388909,CHEMBL388911,CHEMBL389783,CHEMBL389787,CHEMBL390628,CHEMBL390813,CHEMBL394513,CHEMBL395054,CHEMBL429099,CHEMBL450474,CHEMBL499651,CHEMBL505612,CHEMBL506126,CHEMBL514849,CHEMBL515170,CHEMBL525069,CHEMBL525610,CHEMBL526530,CHEMBL526677,CHEMBL577345}
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute IC3 numeric
@attribute MATS7v numeric
@attribute MATS7p numeric
@attribute GATS7p numeric
@attribute Eig07_AEA.ri. numeric
@attribute SpMAD_EA.dm. numeric
@attribute GATS6i 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.011 numeric
@attribute C.013 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.019 numeric
@attribute C.020 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 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_LL 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_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_LL 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_DL 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 pXC50 numeric

@data
{3 3.88,4 -0.169,5 -0.007,6 0.914,7 1.779,8 0.449,9 1.31,10 1.607,11 7.5,12 0.769,13 0.591,14 74.549,15 6.724,17 3.797,18 3.95,19 3.228,20 3.185,21 4.927,22 3.168,23 4.35,24 4.571,25 3.573,26 3.555,27 5.44,28 3.495,29 4.622,30 4.864,31 3.773,32 3.697,33 5.747,34 3.667,35 4.723,36 4.942,37 3.888,38 3.685,39 6.335,40 3.673,41 4.649,42 4.865,43 3.62,44 3.666,45 5.861,46 3.633,47 4.616,48 4.815,49 3.537,50 3.671,51 5.961,52 3.596,53 4.7,54 4.968,55 3.134,56 3.573,57 5.803,58 3.422,59 4.45,60 4.759,61 2.77,62 3.351,63 5.386,64 3.125,65 0.068,66 0.586,67 9.824,68 3.289,69 14.961,70 5.092,71 0.372,72 0.844,73 18.016,74 5.597,75 28.347,76 8.69,77 0.267,78 0.971,79 23.956,80 6.287,81 47.069,82 10.428,83 1.079,84 0.959,85 28.128,86 6.43,87 193.196,88 10.246,89 0.615,90 0.941,91 25.657,92 5.7,93 96.79,94 9.331,95 0.537,96 0.922,97 24.315,98 6.36,99 109.068,100 9.97,101 0.699,102 0.825,103 27.239,104 6.301,105 129.342,106 10.363,107 0.319,108 0.658,109 20.402,110 5.502,111 61.418,112 9.294,113 67,114 27,115 0.291,116 0.52,117 0.668,118 0.702,119 0.702,120 0.702,121 3.058,122 1.032,123 -2.4,124 -2.43,125 -2.38,126 31,127 2,128 4,131 2,136 1,138 1,148 2,149 1,152 2,153 2,154 2,158 4,160 5,161 6,164 1,165 2,167 2,168 2,170 2,171 1,173 2,183 5,184 9,185 5.495}
{0 CHEMBL1276262,1 4.167,2 2.752,3 5.953,4 -0.086,5 -0.06,6 1.112,7 3.811,8 0.675,9 1.048,10 1.619,11 28.742,12 -2.341,13 5.48,14 336.128,15 6.729,16 0.054,17 5.322,18 5.477,19 4.73,20 4.696,21 6.461,22 4.678,23 5.89,24 6.101,25 5.102,26 5.096,27 7.036,28 5.036,29 6.256,30 6.492,31 5.231,32 5.298,33 7.402,34 5.223,35 6.417,36 6.676,37 5.314,38 5.371,39 7.537,40 5.312,41 6.424,42 6.65,43 5.504,44 5.44,45 7.801,46 5.402,47 6.525,48 6.748,49 5.567,50 5.569,51 7.818,52 5.516,53 6.669,54 6.906,55 5.565,56 5.678,57 7.872,58 5.6,59 6.761,60 7.023,61 5.664,62 5.732,63 7.985,64 5.644,65 0.411,66 2.716,67 46.067,68 15.77,69 76.784,70 23.957,71 1.43,72 3.999,73 84.016,74 26.442,75 245.91,76 41.453,77 2.754,78 4.846,79 125.803,80 33.102,81 425.633,82 53.344,83 3.196,84 5.19,85 150.527,86 34.198,87 536.043,88 57.986,89 4.311,90 5.562,91 151.636,92 36.907,93 795.398,94 60.013,95 4.365,96 6.299,97 166.55,98 43.355,99 717.373,100 68.248,101 4.286,102 6.948,103 191.847,104 48.8,105 790.774,106 78.807,107 5.217,108 7.315,109 211.326,110 54.097,111 952.113,112 88.237,113 1275,114 127,115 0.209,116 0.421,117 0.617,118 0.769,119 0.853,120 0.874,121 4.544,122 1.007,123 3.42,124 3.1,125 2.56,126 30.1,127 11,128 15,129 3,131 1,132 9,133 2,143 1,144 1,148 14,149 1,150 1,152 6,153 6,154 6,156 1,157 1,158 16,159 1,161 5,162 5,163 17,164 1,165 16,167 2,168 11,169 1,170 4,171 1,173 17,174 1,175 11,176 11,177 27,179 2,180 2,182 3,184 22,185 8.62}
{0 CHEMBL1276263,1 4.212,2 2.79,3 6.03,4 -0.08,5 -0.055,6 1.102,7 3.81,8 0.638,9 1.051,10 1.596,11 26.283,12 -0.641,13 0.411,14 335.805,15 6.642,16 0.054,17 5.323,18 5.477,19 4.728,20 4.709,21 6.425,22 4.685,23 5.904,24 6.117,25 5.099,26 5.116,27 7.001,28 5.05,29 6.277,30 6.518,31 5.247,32 5.327,33 7.39,34 5.246,35 6.445,36 6.703,37 5.338,38 5.409,39 7.547,40 5.346,41 6.465,42 6.693,43 5.523,44 5.489,45 7.807,46 5.443,47 6.575,48 6.801,49 5.592,50 5.626,51 7.805,52 5.565,53 6.725,54 6.964,55 5.615,56 5.744,57 7.881,58 5.662,59 6.83,60 7.092,61 5.731,62 5.815,63 8.021,64 5.724,65 0.33,66 2.741,67 46.555,68 16.15,69 62.184,70 24.497,71 1.334,72 4.098,73 85.606,74 27.053,75 214.158,76 42.414,77 2.57,78 5.032,79 128.367,80 34.462,81 382.502,82 55.416,83 3.009,84 5.442,85 154.178,86 35.975,87 490.287,88 60.431,89 4.18,90 5.88,91 157.75,92 39.232,93 773.008,94 63.485,95 4.144,96 6.714,97 174.804,98 46.429,99 658.27,100 72.884,101 4.1,102 7.503,103 202.491,104 52.614,105 720.623,106 84.527,107 5.184,108 8.037,109 225.44,110 59.036,111 925.293,112 95.673,113 988,114 127,115 0.206,116 0.416,117 0.621,118 0.779,119 0.866,120 0.89,121 4.534,122 1.022,123 2.32,124 2.05,125 1.63,126 30.6,127 11,128 16,129 3,131 2,132 9,133 2,143 1,144 1,148 13,149 1,150 1,152 4,153 4,154 4,156 1,157 1,158 17,159 1,161 4,162 3,163 16,164 1,165 16,167 2,168 12,169 1,170 2,171 1,173 16,174 1,175 11,176 11,177 27,179 2,180 2,182 1,184 23,185 5.95}
{0 CHEMBL1276264,1 4.183,2 2.76,3 6.093,4 -0.069,5 -0.045,6 1.077,7 3.809,8 0.689,9 1.059,10 1.622,11 27.421,12 -0.546,13 0.298,14 339.745,15 6.802,16 0.052,17 5.338,18 5.485,19 4.764,20 4.716,21 6.463,22 4.702,23 5.919,24 6.123,25 5.137,26 5.115,27 7.053,28 5.062,29 6.28,30 6.512,31 5.28,32 5.321,33 7.422,34 5.253,35 6.445,36 6.693,37 5.372,38 5.398,39 7.593,40 5.348,41 6.457,42 6.674,43 5.554,44 5.474,45 7.832,46 5.443,47 6.569,48 6.785,49 5.627,50 5.606,51 7.842,52 5.563,53 6.717,54 6.945,55 5.66,56 5.715,57 7.949,58 5.654,59 6.807,60 7.057,61 5.76,62 5.781,63 8.039,64 5.712,65 0.413,66 2.735,67 46.181,68 16.383,69 70.365,70 24.284,71 1.675,72 4.074,73 86.42,74 27.117,75 245.986,76 41.936,77 2.959,78 4.985,79 128.879,80 34.356,81 413.443,82 54.405,83 3.74,84 5.363,85 155.468,86 35.789,87 562.892,88 59.094,89 4.648,90 5.776,91 156.442,92 38.699,93 814.008,94 61.75,95 4.632,96 6.562,97 173.851,98 45.207,99 708.242,100 70.236,101 5.248,102 7.274,103 202.445,104 50.892,105 844.629,106 80.902,107 5.836,108 7.748,109 222.176,110 56.781,111 977.068,112 91.045,113 1047,114 131,115 0.209,116 0.428,117 0.635,118 0.785,119 0.861,120 0.874,121 4.565,122 1.003,123 2.32,124 2.05,125 1.62,126 30.8,127 11,128 15,129 3,131 3,132 9,133 2,143 1,144 1,148 14,149 1,150 1,152 4,153 4,154 4,156 1,157 1,158 17,159 1,160 2,161 7,162 3,163 15,164 1,165 12,167 2,168 13,169 1,170 2,171 1,173 17,174 1,175 13,176 11,177 21,179 2,180 3,182 1,183 2,184 22,185 9.699}
{0 CHEMBL224729,1 4.309,2 3.15,3 5.517,4 -0.128,5 -0.095,6 1.104,7 3.309,8 0.175,9 1.079,10 1.434,11 14.023,12 6.215,13 38.626,14 175.375,15 7.01,16 0.46,17 4.524,18 4.652,19 4.056,20 4.081,21 5.521,22 4.047,23 5.101,24 5.279,25 4.424,26 4.51,27 6.036,28 4.447,29 5.431,30 5.656,31 4.575,32 4.724,33 6.316,34 4.639,35 5.524,36 5.758,37 4.592,38 4.77,39 6.435,40 4.673,41 5.581,42 5.817,43 4.669,44 4.819,45 6.526,46 4.735,47 5.595,48 5.808,49 4.706,50 4.885,51 6.55,52 4.796,53 5.68,54 5.9,55 4.691,56 4.952,57 6.6,58 4.838,59 5.746,60 5.993,61 4.602,62 4.958,63 6.596,64 4.81,65 0.089,66 1.256,67 18.566,68 7.826,69 11.781,70 10.742,71 0.375,72 2.102,73 35.272,74 13.575,75 30.578,76 19.049,77 0.497,78 2.807,79 51.133,80 18.055,81 51.798,82 26.201,83 0.497,84 3.034,85 56.506,86 19.834,87 57.929,88 28.821,89 0.676,90 3.161,91 60.704,92 20.49,93 80.951,94 29.619,95 0.569,96 3.22,97 60.17,98 21.952,99 73.955,100 30.956,101 0.677,102 3.431,103 65.751,104 24.901,105 85.252,106 34.926,107 0.679,108 3.508,109 71.553,110 28.009,111 89.71,112 39.46,113 5,114 70,115 0.214,116 0.549,117 0.747,118 0.824,119 0.836,120 0.836,121 3.811,122 0.956,123 -5.98,124 -5.83,125 -5.43,126 42.9,127 1,128 7,129 1,131 3,132 1,139 11,140 4,141 3,142 1,144 1,147 1,149 1,151 1,155 1,158 19,160 3,161 11,163 1,165 4,168 23,172 2,173 14,177 2,180 22,184 23,185 8.17}
{0 CHEMBL242391,3 5.134,4 -0.055,5 -0.011,6 1.018,7 2.899,8 0.247,9 0.988,10 1.448,11 10.143,12 5.846,13 34.18,14 139.782,15 7.179,16 0.462,17 4.265,18 4.4,19 3.805,20 3.827,21 5.348,22 3.796,23 4.792,24 4.964,25 4.167,26 4.24,27 5.839,28 4.176,29 5.14,30 5.368,31 4.312,32 4.425,33 6.109,34 4.347,35 5.193,36 5.429,37 4.371,38 4.439,39 6.199,40 4.373,41 5.214,42 5.419,43 4.479,44 4.526,45 6.31,46 4.481,47 5.329,48 5.534,49 4.487,50 4.636,51 6.396,52 4.557,53 5.406,54 5.637,55 4.402,56 4.67,57 6.371,58 4.555,59 5.369,60 5.609,61 4.305,62 4.632,63 6.366,64 4.491,65 0.087,66 0.994,67 13.816,68 5.682,69 12.653,70 7.844,71 0.295,72 1.605,73 24.701,74 10.07,75 30.89,76 14.118,77 0.353,78 2.13,79 37.644,80 13.104,81 47.521,82 19.169,83 0.351,84 2.193,85 40.47,86 13.699,87 51.067,88 19.911,89 0.401,90 2.331,91 40.221,92 12.992,93 61.942,94 18.623,95 0.55,96 2.536,97 45.208,98 16.157,99 73.547,100 22.519,101 0.492,102 2.613,103 50.016,104 18.676,105 74.706,106 26.187,107 0.489,108 2.497,109 48.078,110 19.115,111 92.473,112 27.051,113 12,114 54,115 0.228,116 0.548,117 0.672,118 0.81,119 0.867,120 0.867,121 3.59,122 0.934,123 -5.71,124 -5.58,125 -5.2,126 43.1,128 5,129 1,131 1,139 13,140 2,141 3,147 1,149 2,152 1,153 1,154 1,155 1,158 18,160 3,161 7,164 3,165 2,167 2,168 20,172 2,173 11,177 1,180 12,184 23,185 5.55}
{0 CHEMBL242567,1 4.29,2 3.138,3 5.409,4 -0.071,5 -0.006,6 1.005,7 3.165,8 0.176,9 1.061,10 1.405,11 13.425,12 6.648,13 44.189,14 160.891,15 7.01,16 0.511,17 4.416,18 4.549,19 3.946,20 3.985,21 5.434,22 3.946,23 4.97,24 5.154,25 4.3,26 4.399,27 5.923,28 4.33,29 5.285,30 5.518,31 4.408,32 4.564,33 6.193,34 4.472,35 5.342,36 5.583,37 4.442,38 4.579,39 6.283,40 4.492,41 5.362,42 5.585,43 4.545,44 4.652,45 6.356,46 4.583,47 5.432,48 5.639,49 4.577,50 4.753,51 6.436,52 4.669,53 5.528,54 5.756,55 4.514,56 4.805,57 6.468,58 4.686,59 5.507,60 5.745,61 4.397,62 4.787,63 6.367,64 4.636,65 0.091,66 1.144,67 16.59,68 6.901,69 11.722,70 9.619,71 0.315,72 1.89,73 30.587,74 11.851,75 25.911,76 16.972,77 0.399,78 2.444,79 44.098,80 15.599,81 45.974,82 22.893,83 0.446,84 2.532,85 47.438,86 16.311,87 56.573,88 23.76,89 0.471,90 2.633,91 47.888,92 16.189,93 62.283,94 23.371,95 0.451,96 2.794,97 50.605,98 18.399,99 66.318,100 25.915,101 0.61,102 2.965,103 56.746,104 21.212,105 81.144,106 29.873,107 0.405,108 2.868,109 55.064,110 22.479,111 62.242,112 31.725,113 5,114 62,115 0.214,116 0.545,117 0.729,118 0.824,119 0.854,120 0.854,121 3.718,122 0.955,123 -6.19,124 -6.03,125 -5.6,126 43.4,127 1,128 6,129 1,131 2,139 12,140 3,141 3,142 1,144 1,147 1,149 1,151 1,155 1,158 19,160 3,161 8,163 1,165 4,168 21,172 2,173 12,177 2,180 14,184 23,185 8.42}
{0 CHEMBL242589,3 5.07,4 -0.048,5 -0.01,6 1.024,7 3.019,8 0.289,9 1.052,10 1.468,11 11.667,12 4.813,13 23.161,14 140.655,15 7.189,16 0.45,17 4.292,18 4.421,19 3.832,20 3.856,21 5.363,22 3.824,23 4.834,24 5.006,25 4.189,26 4.266,27 5.857,28 4.203,29 5.177,30 5.402,31 4.35,32 4.445,33 6.199,34 4.369,35 5.211,36 5.441,37 4.376,38 4.453,39 6.244,40 4.391,41 5.232,42 5.435,43 4.481,44 4.54,45 6.334,46 4.489,47 5.33,48 5.531,49 4.446,50 4.632,51 6.383,52 4.549,53 5.398,54 5.635,55 4.348,56 4.653,57 6.325,58 4.523,59 5.329,60 5.571,61 4.259,62 4.592,63 6.234,64 4.454,65 0.073,66 0.998,67 14.135,68 6.05,69 10.754,70 8.207,71 0.28,72 1.627,73 25.918,74 10.402,75 26.455,76 14.588,77 0.44,78 2.159,79 39.415,80 13.978,81 64.631,82 20.048,83 0.387,84 2.208,85 41.307,86 13.741,87 59.197,88 19.708,89 0.408,90 2.307,91 41.076,92 14.118,93 66.904,94 19.725,95 0.471,96 2.497,97 45.273,98 16.179,99 75.194,100 22.341,101 0.535,102 2.544,103 49.799,104 19.325,105 75.131,106 27.168,107 0.384,108 2.362,109 46.364,110 18.775,111 61.484,112 26.253,113 13,114 55,115 0.23,116 0.53,117 0.663,118 0.795,119 0.849,120 0.849,121 3.616,122 0.943,123 -5.09,124 -4.99,125 -4.67,126 43.3,128 5,129 1,131 2,139 13,140 2,141 3,147 1,148 1,149 1,152 1,153 1,154 1,155 1,158 18,160 3,161 7,163 1,165 2,168 19,172 2,173 12,174 1,175 1,176 1,177 2,179 1,180 13,184 24,185 6.17}
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