@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2007622

@attribute molecule_id {CHEMBL1304847,CHEMBL1314677,CHEMBL1321247,CHEMBL1349727,CHEMBL1354754,CHEMBL1367036,CHEMBL1370838,CHEMBL1394503,CHEMBL1441363,CHEMBL1451931,CHEMBL1457404,CHEMBL1464949,CHEMBL1465227,CHEMBL1468954,CHEMBL1470135,CHEMBL1473428,CHEMBL1473955,CHEMBL1481417,CHEMBL1484618,CHEMBL1485159,CHEMBL1489745,CHEMBL1493528,CHEMBL1497838,CHEMBL1504853,CHEMBL1516786,CHEMBL1520143,CHEMBL1520233,CHEMBL1521296,CHEMBL1521600,CHEMBL1536950,CHEMBL1542809,CHEMBL1542926,CHEMBL1543796,CHEMBL1546588,CHEMBL1556418,CHEMBL1558285,CHEMBL156174,CHEMBL1568393,CHEMBL1578029,CHEMBL1586728,CHEMBL1591913,CHEMBL1603735,CHEMBL1605599,CHEMBL1613638,CHEMBL1701182,CHEMBL1708331,CHEMBL1709883,CHEMBL1717890,CHEMBL1728280,CHEMBL1729124,CHEMBL1729297,CHEMBL1729507,CHEMBL1731722,CHEMBL1732406,CHEMBL1870250,CHEMBL1875561,CHEMBL1881622,CHEMBL1887807,CHEMBL1897229,CHEMBL1969046,CHEMBL1982305,CHEMBL1988648,CHEMBL1996724,CHEMBL1999630,CHEMBL2003651,CHEMBL235504,CHEMBL388342,CHEMBL417727,CHEMBL45152,CHEMBL528199,CHEMBL592115,CHEMBL600175,CHEMBL601757,CHEMBL71466}
@attribute GATS2i 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 Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute pXC50 numeric

@data
{1 1.043,2 1.627,3 11.087,4 1.6,5 2.559,6 85.392,7 8.141,8 0.48,9 3.759,10 3.857,11 3.4,12 3.286,13 4.974,14 3.298,15 4.23,16 4.364,17 3.704,18 3.604,19 5.453,20 3.606,21 4.34,22 4.507,23 3.643,24 3.646,25 5.557,26 3.613,27 4.348,28 4.548,29 3.465,30 3.533,31 5.486,32 3.478,33 4.292,34 4.535,35 3.364,36 3.409,37 5.427,38 3.345,39 4.111,40 4.306,41 3.258,42 3.344,43 5.267,44 3.289,45 4.102,46 4.307,47 3.221,48 3.355,49 5.15,50 3.272,51 4.149,52 4.381,53 3.195,54 3.291,55 5.202,56 3.205,57 0.084,58 0.547,59 6.448,60 3.307,61 7.168,62 3.781,63 0.355,64 0.813,65 12.536,66 5.077,67 23.845,68 5.921,69 0.282,70 0.913,71 14.402,72 5.737,73 30.322,74 7.037,75 0.314,76 0.883,77 16.041,78 5.742,79 31.904,80 7.209,81 0.371,82 0.815,83 17.05,84 5.615,85 41.144,86 7.625,87 0.295,88 0.703,89 12.66,90 4.563,91 35.413,92 5.6,93 0.223,94 0.692,95 12.356,96 4.918,97 21.268,98 6.469,99 0.305,100 0.687,101 14.361,102 5.212,103 24.755,104 7.074,105 5,106 33,107 0.29,108 0.645,109 0.792,110 0.856,111 0.866,112 0.866,113 3.187,114 0.846,115 -3.09,116 -3.09,117 -2.97,119 44.7,120 1,126 1,131 2,133 4.286}
{0 CHEMBL1314677,1 1.104,2 1.814,3 12.385,4 2.766,5 7.652,6 97.397,7 8.731,8 0.393,9 3.885,10 3.977,11 3.621,12 3.419,13 5.098,14 3.405,15 4.42,16 4.561,17 4,18 3.796,19 5.734,20 3.762,21 4.642,22 4.825,23 4.053,24 3.87,25 5.831,26 3.823,27 4.666,28 4.846,29 3.814,30 3.808,31 5.882,32 3.759,33 4.677,34 4.9,35 3.689,36 3.724,37 5.875,38 3.626,39 4.522,40 4.749,41 3.706,42 3.563,43 5.893,44 3.495,45 4.262,46 4.462,47 3.553,48 3.428,49 5.486,50 3.385,51 4.208,52 4.349,53 3.522,54 3.432,55 5.563,56 3.361,57 0.192,58 0.645,59 7.047,60 4.01,61 10.675,62 4.421,63 0.56,64 1.039,65 15.98,66 6.422,67 56.773,68 7.255,69 0.672,70 1.206,71 26.347,72 8.528,73 52.693,74 9.736,75 0.634,76 1.112,77 21.759,78 8.655,79 89.236,80 10.105,81 0.922,82 1.083,83 28.501,84 9.169,85 110.122,86 11.347,87 0.885,88 0.941,89 24.069,90 7.331,91 111.633,92 9.697,93 0.439,94 0.77,95 16.224,96 5.674,97 57.476,98 6.666,99 0.557,100 0.732,101 18.298,102 6.141,103 68.078,104 5.847,105 18,106 38,107 0.314,108 0.592,109 0.689,110 0.768,111 0.812,112 0.812,113 3.303,114 0.948,115 -3.43,116 -3.41,117 -3.26,119 39.5,125 5,133 4.606}
{0 CHEMBL1321247,1 0.787,2 1.471,3 7.083,4 3.033,5 9.196,6 92.34,7 7.276,8 0.444,9 3.929,10 4.025,11 3.476,12 3.44,13 5.034,14 3.432,15 4.485,16 4.647,17 3.875,18 3.878,19 5.485,20 3.859,21 4.716,22 4.857,23 4.089,24 4.131,25 5.81,26 4.088,27 4.922,28 5.105,29 4.083,30 4.223,31 5.891,32 4.145,33 5.014,34 5.227,35 4.015,36 4.171,37 5.996,38 4.084,39 4.896,40 5.103,41 3.861,42 3.998,43 5.918,44 3.909,45 4.773,46 4.999,47 3.578,48 3.773,49 5.829,50 3.655,51 4.633,52 4.9,53 3.02,54 3.4,55 5.68,56 3.233,57 0.061,58 0.607,59 9.843,60 4.503,61 10.953,62 5.515,63 0.255,64 1.022,65 19.023,66 7.335,67 18.986,68 9.391,69 0.368,70 1.298,71 23.134,72 9.912,73 33.789,74 12.687,75 0.222,76 1.529,77 29.569,78 12.407,79 27.686,80 16.317,81 0.481,82 1.576,83 34.659,84 12.722,85 56.39,86 16.931,87 0.595,88 1.363,89 31.17,90 11.042,91 49.998,92 14.611,93 0.617,94 1.171,95 28.258,96 9.445,97 55.442,98 12.774,99 0.648,100 0.911,101 26.658,102 7.848,103 79.275,104 10.642,105 30,106 41,107 0.256,108 0.575,109 0.773,110 0.822,111 0.845,112 0.876,113 3.232,114 0.898,115 -3.21,116 -3.2,117 -3.07,119 42.2,121 2,124 3,125 1,127 1,133 4.268}
{0 CHEMBL1349727,1 0.983,2 1.269,3 7.885,4 4.601,5 21.167,6 100.527,7 8.459,8 0.621,9 3.788,10 3.861,11 3.471,12 3.517,13 5.03,14 3.491,15 4.253,16 4.345,17 3.836,18 3.9,19 5.49,20 3.864,21 4.54,22 4.679,23 4.006,24 4.025,25 5.826,26 3.994,27 4.576,28 4.696,29 4.063,30 3.971,31 6.103,32 3.976,33 4.554,34 4.647,35 4.083,36 3.966,37 6.225,38 3.984,39 4.56,40 4.662,41 3.968,42 3.989,43 6.028,44 3.972,45 4.563,46 4.706,47 3.762,48 3.952,49 5.88,50 3.878,51 4.472,52 4.69,53 3.307,54 3.767,55 5.504,56 3.607,57 0.008,58 0.383,59 5.397,60 3.253,61 5.792,62 3.82,63 0.016,64 0.632,65 9.308,66 5.378,67 12.35,68 6.314,69 0.068,70 0.916,71 15.753,72 7.82,73 28.199,74 9.392,75 0.254,76 0.944,77 16.98,78 7.847,79 73.81,80 8.378,81 0.416,82 0.897,83 16.078,84 7.304,85 107.297,86 6.984,87 0.266,88 0.907,89 15.834,90 7.424,91 68.939,92 6.966,93 0.25,94 0.952,95 16.954,96 7.97,97 63.05,98 8.466,99 0.182,100 0.951,101 18.056,102 8.255,103 44.077,104 10.473,105 10,106 41,107 0.219,108 0.373,109 0.467,110 0.616,111 0.755,112 0.813,113 3.306,114 0.855,115 -5.56,116 -5.44,117 -5.07,119 57.5,132 2,133 4.859}
{0 CHEMBL1354754,1 0.984,2 1.926,3 13.219,4 1.82,5 3.313,6 113.616,7 9.52,8 0.324,9 4.075,10 4.139,11 3.979,12 3.58,13 5.302,14 3.575,15 4.627,16 4.735,17 4.321,18 3.949,19 6.109,20 3.934,21 4.795,22 4.914,23 4.411,24 4.059,25 6.157,26 4.028,27 4.892,28 5.026,29 4.266,30 4.013,31 6.292,32 4.014,33 4.846,34 4.995,35 4.191,36 3.955,37 6.35,38 3.933,39 4.797,40 4.963,41 4.207,42 3.901,43 6.287,44 3.869,45 4.715,46 4.878,47 4.051,48 3.798,49 6.147,50 3.786,51 4.737,52 4.91,53 3.967,54 3.719,55 6.13,56 3.72,57 0.356,58 0.771,59 9.048,60 5.204,61 38.67,62 4.775,63 1.095,64 1.181,65 19.182,66 8.437,67 122.737,68 7.894,69 1.094,70 1.379,71 33.961,72 11.337,73 114.611,74 10.103,75 1.399,76 1.355,77 32.686,78 10.971,79 197.313,80 10.093,81 1.538,82 1.284,83 29.085,84 10.207,85 191.967,86 10.565,87 1.472,88 1.216,89 27.82,90 9.949,91 178.319,92 11.473,93 1.145,94 1.157,95 29.912,96 9.256,97 159.93,98 9.579,99 1.645,100 1.05,101 27.451,102 8.025,103 185.458,104 7.873,105 54,106 48,107 0.32,108 0.672,109 0.805,110 0.843,111 0.843,112 0.843,113 3.502,114 1.01,115 -1.68,116 -1.75,117 -1.78,119 35.3,124 1,125 5,133 4.397}
{0 CHEMBL1367036,1 1.025,2 1.722,3 7.917,4 2.137,5 4.565,6 85.718,7 8.209,8 0.231,9 3.813,10 3.919,11 3.451,12 3.29,13 5.026,14 3.316,15 4.348,16 4.514,17 3.855,18 3.652,19 5.651,20 3.67,21 4.526,22 4.677,23 3.937,24 3.813,25 5.798,26 3.822,27 4.594,28 4.766,29 3.905,30 3.858,31 5.89,32 3.823,33 4.689,34 4.92,35 3.85,36 3.82,37 5.813,38 3.779,39 4.581,40 4.772,41 3.785,42 3.709,43 5.815,44 3.704,45 4.517,46 4.697,47 3.704,48 3.6,49 5.911,50 3.585,51 4.422,52 4.64,53 3.414,54 3.392,55 5.74,56 3.361,57 0.12,58 0.613,59 6.739,60 3.277,61 10.75,62 3.954,63 0.516,64 0.945,65 14.893,66 5.343,67 43.564,68 7.036,69 0.612,70 1.117,71 17.501,72 6.223,73 61.504,74 7.487,75 0.558,76 1.179,77 18.543,78 7.226,79 68.005,80 9.573,81 0.644,82 1.183,83 24.316,84 7.589,85 67.487,86 10.82,87 0.61,88 1.041,89 20.487,90 6.373,91 66.636,92 8.1,93 0.746,94 0.916,95 19.664,96 6.418,97 84.583,98 8.134,99 0.617,100 0.779,101 19.574,102 5.608,103 73.2,104 7.281,105 41,106 38,107 0.305,108 0.652,109 0.772,110 0.827,111 0.835,112 0.862,113 3.23,114 0.856,115 -2.37,116 -2.4,117 -2.36,119 40,120 3,125 2,133 4.265}
{0 CHEMBL1370838,1 0.931,2 1.514,3 7.731,4 2.958,5 8.75,6 96.179,7 8.702,8 0.552,9 3.777,10 3.863,11 3.479,12 3.472,13 5.077,14 3.46,15 4.284,16 4.394,17 3.899,18 3.915,19 5.446,20 3.891,21 4.59,22 4.724,23 4.101,24 4.081,25 5.923,26 4.066,27 4.703,28 4.843,29 4.206,30 4.118,31 6.296,32 4.115,33 4.691,34 4.839,35 4.143,36 4.05,37 6.4,38 4.04,39 4.658,40 4.856,41 3.932,42 3.944,43 6.129,44 3.902,45 4.458,46 4.651,47 3.583,48 3.67,49 5.921,50 3.62,51 4.045,52 4.237,53 3.065,54 3.325,55 5.31,56 3.227,57 0.032,58 0.489,59 4.967,60 3.025,61 12.946,62 3.38,63 0.054,64 0.807,65 9.444,66 5.46,67 32.12,68 6.403,69 0.173,70 1.13,71 14.931,72 7.311,73 61.608,74 8.114,75 0.319,76 1.29,77 17.494,78 8.061,79 113.326,80 8.846,81 0.435,82 1.313,83 17.619,84 7.813,85 147.431,86 8.644,87 0.363,88 1.293,89 20.03,90 8.051,91 94.265,92 9.477,93 0.378,94 1.027,95 17.234,96 6.603,97 109.997,98 6.747,99 0.2,100 0.681,101 10.307,102 4.323,103 54.88,104 4.631,105 30,106 44,107 0.261,108 0.619,109 0.695,110 0.783,111 0.81,112 0.81,113 3.307,114 0.841,115 -3.14,116 -3.13,117 -3.01,119 53.8,120 1,122 1,123 1,133 4.917}
{0 CHEMBL1394503,1 0.785,2 1.479,3 9.88,4 3.327,5 11.071,6 95.356,7 7.668,8 0.444,9 3.878,10 3.972,11 3.469,12 3.429,13 5.044,14 3.42,15 4.392,16 4.545,17 3.824,18 3.783,19 5.564,20 3.769,21 4.57,22 4.702,23 3.933,24 3.94,25 5.792,26 3.91,27 4.705,28 4.873,29 3.853,30 3.955,31 5.833,32 3.898,33 4.692,34 4.89,35 3.844,36 3.926,37 5.804,38 3.866,39 4.641,40 4.824,41 3.774,42 3.807,43 5.893,44 3.762,45 4.491,46 4.673,47 3.534,48 3.667,49 5.687,50 3.593,51 4.417,52 4.643,53 3.224,54 3.508,55 5.425,56 3.377,57 0.031,58 0.567,59 8.238,60 4.202,61 6.333,62 5.017,63 0.333,64 0.914,65 16.381,66 6.597,67 27.65,68 8.166,69 0.351,70 1.05,71 19.127,72 8.327,73 38.985,74 9.912,75 0.506,76 1.152,77 24.125,78 9.507,79 57.968,80 11.399,81 0.304,82 1.161,83 24.068,84 9.601,85 38.154,86 12.172,87 0.471,88 1.081,89 23.222,90 8.532,91 66.331,92 10.417,93 0.477,94 0.948,95 19.726,96 7.229,97 57.97,98 8.893,99 0.239,100 0.871,101 18.919,102 7.271,103 36.138,104 9.56,105 30,106 38,107 0.256,108 0.592,109 0.734,110 0.796,111 0.817,112 0.817,113 3.267,114 0.881,115 -4.28,116 -4.22,117 -3.98,119 45.5,120 1,124 2,125 1,131 1,132 1,133 4.029}
{0 CHEMBL1441363,1 1.1,2 1.731,3 11.321,4 4.127,5 17.029,6 104.847,7 9.01,8 0.567,9 3.897,10 3.977,11 3.654,12 3.512,13 5.176,14 3.489,15 4.368,16 4.466,17 4.021,18 3.872,19 5.774,20 3.826,21 4.592,22 4.745,23 4.074,24 3.912,25 5.856,26 3.861,27 4.628,28 4.803,29 3.915,30 3.852,31 5.894,32 3.827,33 4.616,34 4.784,35 3.947,36 3.891,37 5.984,38 3.846,39 4.662,40 4.819,41 3.988,42 3.876,43 6.172,44 3.833,45 4.606,46 4.81,47 3.707,48 3.726,49 5.807,50 3.661,51 4.398,52 4.593,53 3.596,54 3.561,55 5.658,56 3.489,57 0.179,58 0.592,59 6.295,60 4.01,61 10.883,62 4.19,63 0.439,64 0.93,65 12.368,66 6.689,67 56.503,68 6.965,69 0.537,70 1.154,71 23.003,72 8.977,73 58.949,74 9.446,75 0.552,76 1.142,77 20.14,78 8.286,79 79.749,80 9.074,81 0.65,82 1.141,83 21.68,84 8.719,85 81.774,86 9.737,87 0.805,88 1.141,89 21.257,90 8.95,91 120.718,92 10.063,93 0.607,94 1.08,95 23.7,96 8.888,97 80.073,98 9.95,99 0.586,100 0.876,101 20.373,102 7.47,103 73.899,104 7.97,105 18,106 40,107 0.295,108 0.555,109 0.649,110 0.746,111 0.767,112 0.767,113 3.374,114 0.917,115 -4.38,116 -4.31,117 -4.07,119 45.5,125 1,127 1,133 4.484}
{0 CHEMBL1451931,1 1.077,2 1.42,3 8.1,4 3.039,5 9.234,6 79.505,7 7.979,8 0.545,9 3.598,10 3.688,11 3.224,12 3.254,13 4.81,14 3.231,15 4.052,16 4.175,17 3.554,18 3.613,19 5.243,20 3.574,21 4.303,22 4.464,23 3.643,24 3.694,25 5.603,26 3.642,27 4.304,28 4.504,29 3.474,30 3.553,31 5.521,32 3.488,33 4.158,34 4.363,35 3.298,36 3.41,37 5.362,38 3.34,39 4.03,40 4.22,41 3.124,42 3.349,43 5.142,44 3.259,45 3.993,46 4.199,47 3.103,48 3.327,49 5.091,50 3.23,51 3.884,52 4.077,53 2.977,54 3.191,55 5.067,56 3.093,57 0.023,58 0.393,59 5.538,60 2.926,61 8.083,62 3.454,63 0.028,64 0.645,65 9.392,66 4.646,67 10.249,68 5.679,69 0.168,70 0.828,71 13.93,72 6.159,73 41.166,74 7.682,75 0.186,76 0.856,77 15.459,78 6.091,79 38.36,80 7.621,81 0.199,82 0.739,83 13.612,84 5.222,85 37.889,86 6.497,87 0.146,88 0.611,89 11.719,90 4.914,91 32.166,92 5.938,93 0.102,94 0.583,95 11.513,96 5.029,97 25.583,98 6.43,99 0.069,100 0.518,101 9.942,102 4.438,103 18.555,104 5.584,105 5,106 30,107 0.26,108 0.559,109 0.668,110 0.793,111 0.857,112 0.868,113 3.058,114 0.871,115 -4.23,116 -4.17,117 -3.94,119 51.5,125 1,131 1,133 4.198}
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