@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5833

@attribute molecule_id {CHEMBL1765145,CHEMBL1765147,CHEMBL1765148,CHEMBL1765149,CHEMBL258540,CHEMBL258541,CHEMBL259192,CHEMBL259786,CHEMBL260601,CHEMBL261432,CHEMBL261473,CHEMBL262598,CHEMBL405827,CHEMBL406087,CHEMBL407221,CHEMBL408745,CHEMBL409012}
@attribute MATS3i numeric
@attribute ATS6s numeric
@attribute X5v 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 ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute pXC50 numeric

@data
{1 -0.331,2 5.295,3 1.204,4 1.873,5 7.667,6 -1.439,7 2.07,8 65.204,9 8.945,10 0.333,11 3.582,12 3.681,13 3.65,14 3.208,15 4.721,16 3.071,17 4.109,18 4.216,19 3.827,20 3.584,21 5.94,22 3.399,23 4.42,24 4.6,25 3.907,26 3.62,27 5.616,28 3.476,29 4.545,30 4.733,31 3.752,32 3.476,33 6.436,34 3.346,35 4.327,36 4.567,37 3.175,38 3.308,39 5.519,40 3.121,41 4.095,42 4.324,43 3.224,44 3.232,45 3.023,46 3.886,47 4.093,48 3.408,49 3.227,50 5.294,51 5}
{0 CHEMBL1765147,1 -0.164,2 5.54,3 1.704,4 1.616,5 11.619,6 1.044,7 1.089,8 82.071,9 6.907,11 3.935,12 4.07,13 3.73,14 3.468,15 4.853,16 3.305,17 4.545,18 4.736,19 3.873,20 3.853,21 6.027,22 3.619,23 4.885,24 5.156,25 3.96,26 3.924,27 5.789,28 3.709,29 4.94,30 5.194,31 3.855,32 3.85,33 6.517,34 3.653,35 4.815,36 5.109,37 3.364,38 3.747,39 5.733,40 3.501,41 4.672,42 4.967,43 3.288,44 3.659,45 3.399,46 4.591,47 4.883,48 3.236,49 3.576,50 5.49,51 5}
{0 CHEMBL1765148,1 -0.154,2 5.587,3 1.829,4 1.592,5 12.409,6 1.5,7 2.249,8 86.672,9 6.781,11 3.99,12 4.127,13 3.757,14 3.521,15 4.893,16 3.36,17 4.603,18 4.798,19 3.901,20 3.908,21 6.049,22 3.674,23 4.946,24 5.221,25 3.985,26 3.983,27 5.825,28 3.764,29 4.998,30 5.256,31 3.884,32 3.914,33 6.535,34 3.711,35 4.88,36 5.177,37 3.41,38 3.818,39 5.772,40 3.569,41 4.747,42 5.045,43 3.338,44 3.736,45 3.474,46 4.672,47 4.967,48 3.288,49 3.659,50 5.54,51 5.511}
{0 CHEMBL1765149,1 -0.145,2 5.631,3 1.954,4 1.57,5 13.174,6 1.956,7 3.826,8 91.273,9 6.668,11 4.042,12 4.181,13 3.784,14 3.572,15 4.932,16 3.411,17 4.658,18 4.857,19 3.928,20 3.96,21 6.07,22 3.727,23 5.003,24 5.282,25 4.011,26 4.039,27 5.861,28 3.817,29 5.052,30 5.315,31 3.911,32 3.974,33 6.553,34 3.767,35 4.941,36 5.241,37 3.454,38 3.884,39 5.809,40 3.632,41 4.817,42 5.118,43 3.385,44 3.807,45 3.544,46 4.747,47 5.045,48 3.338,49 3.736,50 5.587,51 5.497}
{0 CHEMBL258540,1 -0.433,2 5.163,3 0.895,4 1.797,5 6.133,6 -1.831,7 3.351,8 54.336,9 8.162,11 3.522,12 3.64,13 3.546,14 3.068,15 4.583,16 2.896,17 4.098,18 4.253,19 3.711,20 3.45,21 5.886,22 3.223,23 4.416,24 4.624,25 3.804,26 3.501,27 5.568,28 3.325,29 4.587,30 4.825,31 3.662,32 3.376,33 6.421,34 3.219,35 4.254,36 4.498,37 3.024,38 3.188,39 5.44,40 2.971,41 4.082,42 4.342,43 3.102,44 3.146,45 2.864,46 3.931,47 4.143,48 3.03,49 3.019,50 5.394,51 5.457}
{0 CHEMBL258541,1 -0.268,2 5.091,3 0.98,4 1.906,5 6.125,6 -2.446,7 5.982,8 56.727,9 8.568,11 3.567,12 3.685,13 3.614,14 3.097,15 4.606,16 2.953,17 4.167,18 4.315,19 3.803,20 3.505,21 5.913,22 3.315,23 4.488,24 4.715,25 3.836,26 3.513,27 5.594,28 3.355,29 4.516,30 4.722,31 3.708,32 3.324,33 6.406,34 3.222,35 4.3,36 4.551,37 3.272,38 3.229,39 5.522,40 3.009,41 4.012,42 4.261,43 3.404,44 3.3,45 3.025,46 4.173,47 4.318,48 3.096,49 3.021,50 5.668,51 5.082}
{0 CHEMBL259192,1 -0.224,2 5.328,3 1.204,4 1.728,5 8.471,6 -0.781,7 0.61,8 63.667,9 7.612,11 3.679,12 3.805,13 3.611,14 3.22,15 4.674,16 3.052,17 4.27,18 4.441,19 3.755,20 3.596,21 5.933,22 3.36,23 4.596,24 4.842,25 3.85,26 3.642,27 5.626,28 3.449,29 4.668,30 4.894,31 3.733,32 3.543,33 6.442,34 3.376,35 4.501,36 4.778,37 3.154,38 3.401,39 5.56,40 3.17,41 4.3,42 4.575,43 3.061,44 3.274,45 3.026,46 4.18,47 4.447,48 2.987,49 3.159,50 5.259,51 5.87}
{0 CHEMBL259786,1 -0.233,2 5.151,3 1.455,4 1.866,5 6.824,6 -1.99,7 3.959,8 61.328,9 8.235,11 3.645,12 3.767,13 3.645,14 3.174,15 4.657,16 3.03,17 4.251,18 4.408,19 3.832,20 3.582,21 5.938,22 3.389,23 4.599,24 4.833,25 3.91,26 3.645,27 5.657,28 3.489,29 4.662,30 4.885,31 3.758,32 3.481,33 6.445,34 3.354,35 4.442,36 4.716,37 3.322,38 3.342,39 5.587,40 3.113,41 4.124,42 4.377,43 3.448,44 3.399,45 3.126,46 4.292,47 4.459,48 3.316,49 3.272,50 5.704,51 4.999}
{0 CHEMBL260601,1 -0.189,2 5.438,3 1.454,4 1.668,5 10.053,6 0.131,7 0.017,8 72.869,9 7.211,11 3.815,12 3.947,13 3.672,14 3.351,15 4.767,16 3.186,17 4.417,18 4.599,19 3.816,20 3.733,21 5.981,22 3.498,23 4.751,24 5.011,25 3.906,26 3.793,27 5.711,28 3.587,29 4.813,30 5.055,31 3.796,32 3.708,33 6.48,34 3.524,35 4.67,36 4.957,37 3.264,38 3.589,39 5.65,40 3.349,41 4.503,42 4.79,43 3.181,44 3.485,45 3.23,46 4.406,47 4.688,48 3.123,49 3.385,50 5.384,51 6.582}
{0 CHEMBL261432,1 -0.239,2 5.337,3 1.878,4 1.775,5 6.824,6 -1.164,7 1.355,8 61.605,9 7.978,11 3.657,12 3.773,13 3.633,14 3.229,15 4.635,16 3.074,17 4.275,18 4.424,19 3.826,20 3.658,21 5.936,22 3.447,23 4.658,24 4.897,25 3.907,26 3.731,27 5.669,28 3.548,29 4.721,30 4.955,31 3.742,32 3.587,33 6.454,34 3.412,35 4.478,36 4.755,37 3.289,38 3.443,39 5.506,40 3.193,41 4.23,42 4.466,43 3.467,44 3.451,45 3.185,46 4.34,47 4.524,48 3.317,49 3.294,50 5.717,51 4.111}
{0 CHEMBL261473,1 -0.205,2 5.384,3 1.329,4 1.697,5 9.278,6 -0.325,7 0.106,8 68.268,9 7.397,11 3.749,12 3.878,13 3.642,14 3.288,15 4.722,16 3.121,17 4.346,18 4.523,19 3.786,20 3.667,21 5.957,22 3.432,23 4.676,24 4.93,25 3.878,26 3.72,27 5.669,28 3.521,29 4.743,30 4.978,31 3.765,32 3.629,33 6.461,34 3.453,35 4.589,36 4.871,37 3.211,38 3.499,39 5.606,40 3.264,41 4.406,42 4.688,43 3.123,44 3.385,45 3.133,46 4.3,47 4.575,48 3.061,49 3.274,50 5.328,51 5.772}
{0 CHEMBL262598,1 -0.232,2 5.364,3 1.035,4 1.797,5 6.067,6 -1.772,7 3.141,8 54.282,9 8.162,11 3.522,12 3.64,13 3.546,14 3.068,15 4.582,16 2.896,17 4.098,18 4.252,19 3.714,20 3.443,21 5.887,22 3.216,23 4.421,24 4.637,25 3.818,26 3.499,27 5.567,28 3.337,29 4.559,30 4.766,31 3.674,32 3.431,33 6.422,34 3.271,35 4.395,36 4.677,37 3.194,38 3.321,39 5.461,40 3.052,41 4.082,42 4.314,43 3.25,44 3.23,45 2.977,46 4.18,47 4.365,48 2.666,49 2.873,50 5.68,51 5.703}
{0 CHEMBL405827,1 -0.304,2 5.582,3 1.178,4 1.797,5 5.333,6 -2.091,7 4.372,8 54.396,9 8.162,11 3.522,12 3.64,13 3.546,14 3.068,15 4.595,16 2.896,17 4.099,18 4.252,19 3.758,20 3.46,21 5.9,22 3.251,23 4.433,24 4.621,25 3.816,26 3.559,27 5.623,28 3.392,29 4.683,30 4.938,31 3.666,32 3.476,33 6.436,34 3.281,35 4.327,36 4.593,37 3.335,38 3.35,39 5.421,40 3.071,41 4.082,42 4.285,43 3.379,44 3.307,45 3.079,46 4.38,47 4.547,48 2.087,49 2.702,50 5.905,51 4.223}
{0 CHEMBL406087,1 -0.275,2 5.182,3 0.976,4 1.797,5 6.867,6 -1.694,7 2.868,8 54.465,9 8.162,11 3.522,12 3.64,13 3.546,14 3.068,15 4.571,16 2.896,17 4.098,18 4.252,19 3.69,20 3.438,21 5.883,22 3.201,23 4.412,24 4.639,25 3.79,26 3.465,27 5.534,28 3.289,29 4.498,30 4.702,31 3.665,32 3.346,33 6.403,34 3.202,35 4.297,36 4.56,37 3.023,38 3.178,39 5.457,40 2.962,41 4.037,42 4.283,43 2.917,44 3.049,45 2.804,46 3.931,47 4.176,48 2.842,49 2.914,50 5.127,51 5.048}
{0 CHEMBL407221,1 -0.237,2 5.394,3 1.044,4 1.833,5 5.286,6 -2.296,7 5.272,8 49.758,9 8.522,11 3.433,12 3.546,13 3.511,14 2.982,15 4.526,16 2.807,17 4,18 4.143,19 3.681,20 3.354,21 5.865,22 3.127,23 4.315,24 4.518,25 3.765,26 3.396,27 5.517,28 3.236,29 4.46,30 4.663,31 3.627,32 3.298,33 6.389,34 3.146,35 4.21,36 4.466,37 3.134,38 3.166,39 5.379,40 2.913,41 3.931,42 4.143,43 3.03,44 3.019,45 2.802,46 4.045,47 4.235,48 1.746,49 2.385,50 5.517,51 6.119}
{0 CHEMBL408745,1 -0.31,2 5.127,3 0.88,4 1.833,5 6.071,6 -2.15,7 4.622,8 49.864,9 8.522,11 3.433,12 3.546,13 3.511,14 2.982,15 4.515,16 2.807,17 4,18 4.143,19 3.656,20 3.348,21 5.857,22 3.111,23 4.305,24 4.519,25 3.759,26 3.362,27 5.486,28 3.198,29 4.401,30 4.59,31 3.625,32 3.239,33 6.38,34 3.111,35 4.17,36 4.414,37 2.956,38 3.071,39 5.394,40 2.856,41 3.931,42 4.176,43 2.842,44 2.914,45 2.667,46 3.753,47 3.978,48 2.489,49 2.612,50 5.164,51 4.958}
{0 CHEMBL409012,1 -0.247,2 5.259,3 1.064,4 1.762,5 7.688,6 -1.237,7 1.531,8 59.066,9 7.863,11 3.604,12 3.726,13 3.579,14 3.147,15 4.623,16 2.977,17 4.188,18 4.351,19 3.723,20 3.52,21 5.908,22 3.284,23 4.508,24 4.746,25 3.82,26 3.557,27 5.581,28 3.372,29 4.587,30 4.802,31 3.699,32 3.45,33 6.422,34 3.293,35 4.404,36 4.674,37 3.094,38 3.291,39 5.514,40 3.067,41 4.18,42 4.447,43 2.987,44 3.159,45 2.916,46 4.037,47 4.283,48 2.917,49 3.049,50 5.182,51 4.775}