@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1293194

@attribute molecule_id {CHEMBL1231506,CHEMBL1231507,CHEMBL1232077,CHEMBL129918,CHEMBL179241,CHEMBL203266,CHEMBL2114397,CHEMBL2216768,CHEMBL2216769,CHEMBL2216771,CHEMBL2216774,CHEMBL2216775,CHEMBL2216776,CHEMBL2216777,CHEMBL2216778,CHEMBL2216779,CHEMBL2216780,CHEMBL2216781,CHEMBL2216782,CHEMBL2216785,CHEMBL75880}
@attribute DBI numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eta_B numeric
@attribute Eta_beta numeric
@attribute Eta_FL numeric
@attribute GGI1 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MWC05 numeric
@attribute piID numeric
@attribute piPC02 numeric
@attribute piPC10 numeric
@attribute P_VSA_m_2 numeric
@attribute Qindex numeric
@attribute SM02_EA.bo. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.ri. numeric
@attribute SNar numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.v. numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute Wap numeric
@attribute X3 numeric
@attribute X3sol numeric
@attribute X4 numeric
@attribute X4sol numeric
@attribute X5 numeric
@attribute Xt numeric
@attribute ZM2Kup numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute Eig11_EA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute CATS2D_06_AL numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.ed. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM07_AEA.ri. numeric
@attribute RBF numeric
@attribute pXC50 numeric

@data
{1 5.657,2 3.536,3 1.67,4 2.939,5 0.652,6 1.254,7 1,8 0.485,9 0.881,10 -0.096,11 -0.093,12 0.686,13 0.672,14 19.25,15 2.961,16 6,17 3.367,18 3.497,19 3.434,20 3.091,21 3.045,22 2.996,23 2.944,24 6.987,25 6.136,26 3.611,27 3.045,28 112.382,29 6,30 4.29,31 3.761,32 3.569,33 16.466,34 3.735,35 3.805,36 3.601,37 3.582,38 216.962,39 6.009,40 3031,41 6.242,42 6.242,43 4.993,44 4.993,45 3.066,46 0.246,47 225.373,48 227.702,49 315.14,50 210,51 0.497,52 0.497,53 1,54 1.29,55 0.27,56 0.264,57 2.136,58 0.894,59 2,60 -0.096,61 -0.187,62 -0.096,63 -0.187,64 0.247,65 5.979}
{0 CHEMBL1231507,1 5.657,2 3.565,3 1.67,4 2.939,5 0.652,6 1.268,7 1,8 0.496,9 0.892,10 -0.096,11 -0.094,12 0.689,13 0.672,14 18.75,15 2.645,16 6,17 3.367,18 3.497,19 3.434,20 3.091,21 3.045,22 2.996,23 2.944,24 6.987,25 6.136,26 3.611,27 3.045,28 97.763,29 6,30 4.29,31 3.761,32 3.587,33 16.466,34 3.748,35 3.813,36 3.614,37 3.598,38 226.651,39 6.009,40 3031,41 6.242,42 6.242,43 4.993,44 4.993,45 3.066,46 0.246,47 211.683,48 214.581,49 295.4,50 198,51 0.497,52 0.497,53 2,54 1.29,55 0.27,56 0.268,57 2.136,58 0.894,59 2,60 -0.096,61 -0.187,62 -0.096,63 -0.187,64 0.257,65 5.573}
{0 CHEMBL1232077,1 2.646,2 2.827,3 -0.353,4 1,5 -1.785,6 -0.859,7 -0.715,8 -2,9 -1,10 -3,11 -2,13 0.391,14 15,15 3.289,16 3,17 2.944,18 2.944,19 3.045,20 2.565,21 1.609,24 6.463,25 6.153,26 3.35,28 74.898,29 7,30 4.025,31 3.219,32 3.134,33 7.167,34 2.942,35 2.965,36 2.735,37 2.715,38 23.543,39 4.86,40 482,41 3.856,42 3.856,43 2.356,44 2.356,45 1.753,46 0.374,47 173.331,48 174.742,49 248.4,50 163,51 -5.275,52 -5.275,54 -0.5,55 -2.251,56 -1.849,60 -2,61 -6.427,62 -2,63 -6.427,64 0.095,65 4}
{0 CHEMBL129918,1 2.646,2 2.95,3 -0.155,4 1,5 -2,6 -0.858,7 -0.714,8 -2,9 -1,10 -3,11 -2,13 0.391,14 16.5,15 3.635,16 3,17 2.944,18 2.944,19 3.045,20 2.565,21 1.609,24 6.463,25 6.259,26 3.418,28 47.134,29 7,30 4.094,31 3.219,32 3.209,33 7.167,34 2.914,35 2.925,36 2.735,37 2.715,38 25.689,39 4.86,40 482,41 3.856,42 3.856,43 2.356,44 2.356,45 1.753,46 0.374,47 199.333,48 199.975,49 285.82,50 186,51 -5.275,52 -5.275,54 -0.5,55 -2.29,56 -1.852,60 -2,61 -6.427,62 -2,63 -6.427,64 0.111,65 4}
{0 CHEMBL179241,1 4.243,2 4.009,3 1.152,4 2.675,5 0.114,6 0.555,7 0.814,8 0.096,9 0.482,10 -0.618,11 -0.445,12 0.165,13 0.535,14 16.5,15 2.208,16 5.5,17 3.714,18 3.932,19 3.97,20 3.638,21 3.434,22 3.258,23 3.135,24 7.299,25 6.366,26 3.611,27 3.434,28 99.58,29 11,30 4.29,31 4.111,32 4.022,33 13.288,34 3.613,35 3.677,36 3.508,37 3.48,38 98.711,39 6.033,40 2366,41 7.194,42 8.025,43 5.81,44 6.755,45 4.059,46 0.274,47 216.016,48 237.581,49 351.18,50 222,51 -0.656,52 -0.656,53 2,54 1,55 -0.51,56 -0.418,57 2,58 0.405,59 2,60 -0.461,61 -0.971,62 -0.461,63 -0.971,64 0.212,65 5.523}
{0 CHEMBL203266,1 2.55,2 2.95,3 1.111,4 2.491,6 0.385,7 0.622,8 -0.244,9 0.302,10 -0.678,11 -0.529,12 -0.137,13 0.29,14 20.25,15 4.481,16 3,17 3.584,18 3.807,19 3.951,20 3.871,21 3.85,22 3.738,23 3.555,24 7.086,25 7.359,26 3.651,27 5.042,28 102.181,29 11,30 4.331,31 3.434,32 3.249,33 13.118,34 3.332,35 3.387,36 3.085,37 3.101,38 25.682,39 6.131,40 2874,41 6.497,42 6.497,43 5.478,44 5.478,45 4.203,46 0.276,47 249.876,48 254.445,49 369.13,50 233,51 -0.996,52 -0.996,54 0.674,55 -0.607,56 -0.497,57 1.555,59 1.521,60 -0.596,61 -1.189,62 -0.596,63 -1.189,64 0.119,65 4}
{0 CHEMBL2114397,1 3.742,2 3.491,3 -0.866,4 1,5 -1.961,13 0.604,14 8.25,15 1.914,16 5,17 2.303,18 2.485,19 1.792,24 6.103,25 4.344,26 2.833,28 63.636,29 5,30 3.497,31 3.611,32 3.39,33 4.97,34 3.167,35 3.217,36 2.831,37 2.87,38 34.972,39 4.205,40 170,41 1.835,42 1.835,43 1.933,44 1.933,45 0.417,46 0.449,47 101.709,48 104.507,49 140.09,50 93,64 0.148,65 4.117}
{0 CHEMBL2216768,1 4.359,2 3.596,3 1.061,4 3,5 -0.118,6 0.657,7 0.5,8 0.375,9 0.256,10 -0.668,11 -0.505,12 -0.012,13 0.713,14 21.75,15 4.259,16 6,17 3.689,18 3.714,19 3.466,20 3.178,21 3.135,22 3.178,23 3.219,24 7.336,25 7.075,26 3.818,27 4.209,28 68.706,29 15,30 4.5,31 4.29,32 3.96,33 14.386,34 3.667,35 3.719,36 3.515,37 3.51,38 64.702,39 6.033,40 2849,41 7.291,42 6.578,43 5.256,44 4.341,45 2.786,46 0.264,47 359.105,48 351.264,49 528.84,50 330,51 -0.481,52 -0.481,53 2,54 0.919,55 -0.219,56 -0.167,57 2.169,58 0.393,59 2,60 -0.625,61 -1.415,62 -0.625,63 -1.415,64 0.225,65 6.602}
{0 CHEMBL2216769,1 7.937,2 3.936,3 3.552,4 5.492,5 2.715,6 3.238,7 3.126,8 2.635,9 3.01,10 2.324,11 1.97,12 2.799,13 2.398,14 63,15 10.837,16 18,17 4.787,18 5.037,19 5.165,20 5.38,21 5.501,22 5.517,23 5.595,24 8.412,25 10.87,26 4.914,27 7.173,28 224.669,29 40,30 5.604,31 5.263,32 5.203,33 42.531,34 3.875,35 3.896,36 3.811,37 3.723,38 416.33,39 8.967,40 158320,41 21.705,42 24.655,43 17.619,44 21.196,45 13.109,46 0.153,47 1036.08,48 1125.75,49 1670.28,50 1048,51 6.075,52 6.075,53 5,54 3.534,55 2.651,56 2.214,57 5.032,58 3.03,59 4.822,60 2.043,61 5.873,62 2.043,63 5.873,64 0.228,65 6.62}
{0 CHEMBL2216771,1 3.536,2 3.034,3 2.171,4 3.179,5 1.019,6 1.461,7 1.553,8 0.654,9 1.222,10 0.413,11 0.304,12 0.382,13 0.541,14 32.75,15 6.698,16 4.5,17 3.807,18 3.989,19 4.127,20 4.111,21 4.078,22 4.127,23 4.06,24 7.33,25 10.197,26 4.201,27 6.335,28 115.678,29 16,30 4.887,31 3.761,32 3.646,33 17.394,34 3.571,35 3.597,36 3.412,37 3.417,38 43.351,39 6.974,40 10647,41 8.5,42 9.31,43 6.496,44 7.321,45 4.964,46 0.24,47 388.955,48 404.771,49 592.08,50 381,51 1.226,52 1.226,53 4,54 2.133,55 0.797,56 0.462,57 2.366,58 0.882,59 2.142,60 0.35,61 0.808,62 0.35,63 0.808,64 0.175,65 5.62}
{0 CHEMBL2216774,1 2.828,2 3.163,3 2.5,4 3.445,5 1.5,6 1.959,7 2.18,8 1,9 1.803,10 1.081,11 0.801,12 1.371,13 0.448,14 35.5,15 6.747,16 3.5,17 3.989,18 4.234,19 4.419,20 4.554,21 4.644,22 4.718,23 4.754,24 7.506,25 10.24,26 4.223,27 6.842,28 159.895,29 19,30 4.909,31 3.761,32 3.601,33 20.86,34 3.828,35 3.877,36 3.706,37 3.705,38 41.61,39 7.452,40 19013,41 9.797,42 10.485,43 8.144,44 8.954,45 6.479,46 0.219,47 392.942,48 409.642,49 599.8,50 387,51 2.136,52 2.136,53 8,54 2.228,55 1.192,56 0.956,57 3.247,58 1.741,59 2.923,60 0.866,61 2.136,62 0.866,63 2.136,64 0.098,65 7.699}
{0 CHEMBL2216775,1 3.082,2 3.165,3 2.5,4 3.547,5 1.5,6 2,7 2.195,8 1,9 1.931,10 1.13,11 0.928,12 1.374,13 0.516,14 37.75,15 7.579,16 4.5,17 4.06,18 4.29,19 4.489,20 4.654,21 4.736,22 4.852,23 4.913,24 7.58,25 10.496,26 4.28,27 7.046,28 175.702,29 20,30 4.966,31 3.892,32 3.764,33 21.959,34 3.847,35 3.886,36 3.718,37 3.723,38 49.044,39 7.655,40 24609,41 10.615,42 10.615,43 8.606,44 8.606,45 6.813,46 0.213,47 460.645,48 456.824,49 664.76,50 429,51 2.275,52 2.275,53 8,54 2.249,55 1.207,56 1,57 3.247,58 1.741,59 2.925,60 0.966,61 2.136,62 0.966,63 2.136,64 0.109,65 7.187}
{0 CHEMBL2216776,1 3.937,2 3.616,3 2.611,4 3.587,5 1.643,6 2.087,7 2.216,8 0.94,9 1.757,10 1.086,11 0.76,12 1.264,13 0.843,14 37.75,15 7.714,16 6.5,17 4.094,18 4.357,19 4.543,20 4.796,21 4.905,22 5.011,23 5.13,24 7.668,25 11.24,26 4.431,27 7.904,28 170.741,29 23,30 5.118,31 4.29,32 4.029,33 21.266,34 3.866,35 3.881,36 3.852,37 3.819,38 61.783,39 7.625,40 21502,41 10.485,42 10.158,43 8.661,44 8.707,45 6.806,46 0.217,47 504.893,48 506.685,49 760.5,50 476,51 2.538,52 2.538,53 6,54 2.569,55 1.598,56 1.075,57 3,58 1.653,59 2.903,60 0.794,61 2.009,62 0.794,63 2.009,64 0.104,65 7.585}
{0 CHEMBL2216777,1 4.416,2 3.635,3 2.816,4 4.319,5 1.843,6 2.222,7 2.5,8 1.271,9 2.127,10 1.5,11 1.123,12 1.725,13 1.074,14 47.25,15 9.282,16 9,17 4.29,18 4.564,19 4.828,20 5.017,21 5.094,22 5.215,23 5.263,24 7.871,25 11.484,26 4.58,27 7.465,28 174.374,29 26,30 5.268,31 4.511,32 4.388,33 24.561,34 3.906,35 3.931,36 3.846,37 3.842,38 98.027,39 8.176,40 44633,41 12.668,42 13.979,43 10.614,44 12.023,45 8.985,46 0.202,47 543.84,48 588.915,49 859.48,50 550,51 3.223,52 3.223,53 7,54 2.667,55 1.722,56 1.215,57 3.414,58 2.039,59 3.4,60 1.133,61 2.974,62 1.133,63 2.974,64 0.109,65 6.796}
{0 CHEMBL2216778,1 4.359,2 3.803,3 2.809,4 4.301,5 1.855,6 2.211,7 2.645,8 1.333,9 2.144,10 1.684,11 1.139,12 1.71,13 1.163,14 48.75,15 9.861,16 9.5,17 4.317,18 4.595,19 4.898,20 5.13,21 5.263,22 5.38,23 5.416,24 7.907,25 11.207,26 4.59,27 7.567,28 166.253,29 27,30 5.278,31 4.575,32 4.366,33 24.274,34 3.877,35 3.896,36 3.798,37 3.8,38 115.494,39 8.1,40 37606,41 12.957,42 14.197,43 10.601,44 11.889,45 9.165,46 0.203,47 632.4,48 673.391,49 989.54,50 630,51 3.212,52 3.212,53 7,54 2.668,55 1.723,56 1.194,57 3.55,58 2.099,59 3.476,60 1.148,61 2.942,62 1.148,63 2.942,64 0.107,65 7.796}
{0 CHEMBL2216779,1 4.301,2 3.586,3 2.707,4 4.099,5 1.726,6 2.153,7 2.5,8 1.196,9 2,10 1.5,11 1,12 1.526,13 1.057,14 46.5,15 9.222,16 8.5,17 4.277,18 4.533,19 4.771,20 4.963,21 5.063,22 5.159,23 5.231,24 7.853,25 11.382,26 4.559,27 7.522,28 160.795,29 26,30 5.247,31 4.511,32 4.343,33 23.175,34 3.899,35 3.917,36 3.836,37 3.834,38 91.955,39 8.051,40 37330,41 12.489,42 14.063,43 10.129,44 11.769,45 8.228,46 0.208,47 556.703,48 609.549,49 893.98,50 570,51 2.875,52 2.875,53 7,54 2.664,55 1.673,56 1.144,57 3.414,58 1.798,59 3.266,60 1,61 2.655,62 1,63 2.655,64 0.109,65 7.678}
{0 CHEMBL2216780,1 4.183,2 3.583,3 2.737,4 3.741,5 1.757,6 2.015,7 2.5,8 1,9 2,10 1.474,11 1,12 0.89,13 1.019,14 43.5,15 8.685,16 8.5,17 4.043,18 4.205,19 4.419,20 4.466,21 4.443,22 4.511,23 4.543,24 7.615,25 10.554,26 4.472,27 7.039,28 164.706,29 21,30 5.159,31 4.369,32 4.153,33 20.285,34 3.864,35 3.884,36 3.808,37 3.804,38 90.759,39 7.307,40 15225,41 10.686,42 12.691,43 8.012,44 9.456,45 6.372,46 0.222,47 504.385,48 566.909,49 821.37,50 529,51 2.427,52 2.427,53 5,54 2.531,55 1.5,56 1.007,57 3.213,58 1.292,59 2.73,60 1,61 2.275,62 1,63 2.275,64 0.13,65 6.721}
{0 CHEMBL2216781,1 4.69,2 3.719,3 1.815,4 3.414,5 0.779,6 1.392,7 1.082,8 0.538,9 0.876,10 -0.12,11 -0.106,12 0.339,13 1.011,14 26.75,15 4.599,16 9.5,17 3.85,18 4.078,19 4.317,20 4.394,21 4.205,22 4.143,23 4.111,24 7.498,25 7.848,26 4.103,27 5.623,28 107.527,29 18,30 4.787,31 4.511,32 4.321,33 17.159,34 3.757,35 3.792,36 3.658,37 3.602,38 100.847,39 6.693,40 5896,41 8.504,42 9.616,43 6.803,44 7.957,45 5.551,46 0.241,47 317.46,48 358.794,49 514.04,50 332,51 1.033,52 1.033,53 2,54 1.461,55 0.427,56 0.405,57 2.906,58 1,59 2.661,60 -0.109,61 -0.207,62 -0.109,63 -0.207,64 0.148,65 6}
{0 CHEMBL2216782,1 4.69,2 3.767,3 1.815,4 3.414,5 0.779,6 0.902,7 1,8 0.392,9 0.856,10 -0.145,11 -0.132,12 0.672,13 1.011,14 26.75,15 4.581,16 9.5,17 3.85,18 4.143,19 4.263,20 4.234,21 4.29,22 4.143,23 4.174,24 7.503,25 7.848,26 4.103,27 5.678,28 107.527,29 18,30 4.787,31 4.511,32 4.321,33 17.159,34 3.753,35 3.788,36 3.657,37 3.6,38 101.524,39 6.693,40 5896,41 8.254,42 9.366,43 7.424,44 8.565,45 5.027,46 0.241,47 317.46,48 359.268,49 514.92,50 332,51 -0.159,52 -0.159,53 2,54 1.082,55 -0.07,56 -0.063,57 2.906,58 1,59 2.596,60 -0.134,61 -0.313,62 -0.134,63 -0.313,64 0.148,65 6}
{0 CHEMBL2216785,1 5.568,2 3.536,3 2.281,4 3.282,5 1.273,6 1.956,7 1.604,8 0.816,9 1.489,10 0.567,11 0.509,12 0.79,13 0.808,14 29.75,15 5.772,16 7.5,17 3.689,18 3.871,19 3.912,20 3.714,21 3.714,22 3.714,23 3.689,24 7.291,25 7.86,26 3.998,27 4.888,28 154.751,29 11,30 4.682,31 4.007,32 3.809,33 20.049,34 3.73,35 3.795,36 3.602,37 3.582,38 143.119,39 6.693,40 7803,41 8.108,42 8.108,43 6.725,44 6.725,45 4.545,46 0.223,47 354.283,48 352.496,49 498.5,50 328,51 2.146,52 2.146,53 3,54 2.122,55 1.083,56 0.947,57 2.73,58 1,59 2.643,60 0.543,61 0.957,62 0.543,63 0.957,64 0.23,65 5.77}
{0 CHEMBL75880,1 2.345,2 2.594,3 1.733,4 3.247,5 0.733,6 0.718,7 0.295,8 -0.705,9 0.295,10 -0.705,11 -0.705,13 0.239,14 11.5,15 0.419,16 2,17 3.611,18 3.85,19 4.078,20 4.078,21 4.111,22 4.043,23 3.807,24 7.111,25 6.293,26 3.367,27 3.807,28 55.6,29 13,30 4.043,31 3.219,32 3.195,33 15.485,34 3.787,35 3.849,36 3.67,37 3.658,38 28.208,39 6.293,40 3498,41 6.841,42 6.841,43 5.702,44 5.702,45 4.78,46 0.254,47 125.408,48 128.576,49 188.22,50 124,51 -0.667,52 -0.667,54 0.73,55 -0.27,56 -0.267,57 1.555,59 1.555,60 -0.705,61 -1.547,62 -0.705,63 -1.547,64 0.07,65 4}