@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5162

@attribute molecule_id {CHEMBL1210177,CHEMBL1210178,CHEMBL1210179,CHEMBL1210241,CHEMBL1210242,CHEMBL1210243,CHEMBL1210244,CHEMBL1210311,CHEMBL1210312,CHEMBL1210313,CHEMBL1210411,CHEMBL1210412,CHEMBL1289571,CHEMBL1289677,CHEMBL1289678,CHEMBL1289780,CHEMBL1289781,CHEMBL1289890,CHEMBL1289891,CHEMBL1290004,CHEMBL1765703,CHEMBL1765704,CHEMBL1800088,CHEMBL1801267,CHEMBL1801268,CHEMBL1801269,CHEMBL1801270,CHEMBL1801271,CHEMBL1801272,CHEMBL1801317,CHEMBL1801318,CHEMBL1801319,CHEMBL1801320,CHEMBL1801321,CHEMBL1801322,CHEMBL1801323,CHEMBL1801324,CHEMBL1801325,CHEMBL1801326,CHEMBL1801327,CHEMBL1801328,CHEMBL1801329,CHEMBL1801330,CHEMBL1801331,CHEMBL1801332,CHEMBL1801333,CHEMBL1801334,CHEMBL1801335,CHEMBL1801336,CHEMBL1801337,CHEMBL1801338,CHEMBL1801358,CHEMBL1801359,CHEMBL1801360,CHEMBL1801361,CHEMBL1801362,CHEMBL230333,CHEMBL469695,CHEMBL469696}
@attribute SpDiam_AEA.bo. numeric
@attribute MATS3p numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute MATS3e numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.v. numeric
@attribute D.Dtr12 numeric
@attribute BIC1 numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMax4_Bh.e. numeric
@attribute GATS3p numeric
@attribute SpMin4_Bh.p. numeric
@attribute D.Dtr08 numeric
@attribute Cl.089 numeric
@attribute nCL numeric
@attribute NsCl numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_MR_7 numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_03_LL numeric
@attribute MAXDN numeric
@attribute SpMax4_Bh.p. numeric
@attribute SsCl numeric
@attribute SIC1 numeric
@attribute MATS3i numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMin3_Bh.s. numeric
@attribute IC1 numeric
@attribute SM10_EA.ri. numeric
@attribute RCI numeric
@attribute RFD numeric
@attribute MATS3v numeric
@attribute PW3 numeric
@attribute GGI3 numeric
@attribute P_VSA_s_6 numeric
@attribute JGI3 numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_EA.ri. numeric
@attribute SsssCH numeric
@attribute SpMAD_AEA.ed. numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute C.027 numeric
@attribute C.033 numeric
@attribute C.043 numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute pXC50 numeric

@data
{1 5.523,2 -0.087,3 1.711,4 1.88,5 0.021,6 1.635,7 1.94,9 0.441,10 1.93,11 3.73,12 1.127,13 1.922,20 9.476,21 4,22 10,23 1.646,24 3.547,26 0.453,27 -0.061,28 2.003,30 3.949,31 3.953,32 1.262,33 2.865,34 12.728,35 1.071,36 0.071,37 -0.059,38 0.353,39 2.875,40 50.29,41 0.046,42 3.989,43 2.023,44 13.863,45 15.052,46 16.218,47 17.405,48 18.585,49 0.108,50 1.571,51 6.109,52 6.365,53 6.62,54 6.647,58 4.523,59 7.653,60 4.473,61 3.511,62 4.03,63 7.745}
{0 CHEMBL1210178,1 5.488,2 -0.07,3 1.577,4 1.842,5 -0.009,6 1.51,7 1.793,9 0.478,10 1.89,11 3.69,12 1.084,13 1.751,20 9.476,21 10,22 8,23 1.66,24 3.546,26 0.492,27 -0.079,28 1.984,30 3.943,31 3.947,32 1.211,33 2.994,34 11.999,35 1.095,36 0.095,37 -0.031,38 0.349,39 2.347,40 50.29,41 0.048,42 3.981,43 1.926,44 13.039,45 14.165,46 15.245,47 16.363,48 17.463,49 0.249,50 1.534,51 5.974,52 6.241,53 6.488,54 6.448,58 4.488,59 6.734,60 4.175,61 3.201,62 4.03,63 5.802}
{0 CHEMBL1210179,1 5.488,2 -0.034,3 1.645,4 1.842,5 -0.02,6 1.59,7 1.862,9 0.502,10 1.891,11 3.679,12 1.056,13 1.852,20 9.476,21 8,22 8,23 1.675,24 3.509,26 0.516,27 -0.036,28 1.961,30 3.942,31 3.946,32 1.211,33 3.154,34 11.993,35 1.091,36 0.091,37 -0.019,38 0.346,39 2.313,40 61.29,41 0.044,42 3.981,43 1.993,44 13.033,45 14.16,46 15.241,47 16.359,48 17.46,49 0.183,50 1.537,51 5.979,52 6.245,53 6.494,54 6.454,58 4.488,59 6.734,60 4.175,61 3.201,62 4.03,63 6.14}
{0 CHEMBL1210241,1 5.526,2 -0.102,3 1.577,4 1.846,5 -0.039,6 1.512,7 1.793,9 0.471,10 1.894,11 3.724,12 1.128,13 1.756,20 9.476,21 12,22 8,23 1.666,24 3.585,26 0.484,27 -0.085,28 1.976,30 3.945,31 3.949,32 1.211,33 2.976,34 12.547,35 1.095,36 0.095,37 -0.076,38 0.35,39 2.847,40 50.29,41 0.055,42 3.984,43 1.948,44 13.667,45 14.838,46 15.987,47 17.157,48 18.321,49 0.096,50 1.542,51 6.004,52 6.277,53 6.529,54 6.499,58 4.526,59 7.413,60 4.409,61 3.448,62 4.031,63 6.487}
{0 CHEMBL1210242,1 5.526,2 -0.087,3 1.733,4 1.848,5 -0.03,6 1.673,7 1.923,9 0.459,10 1.896,11 3.73,12 1.115,13 1.899,20 9.476,21 12,22 8,23 1.665,24 3.598,26 0.471,27 -0.081,28 1.978,30 3.945,31 3.95,32 1.292,33 2.926,34 12.547,35 1.091,36 0.091,37 -0.058,38 0.347,39 2.813,40 50.29,41 0.051,42 3.985,43 2.018,44 13.665,45 14.837,46 15.986,47 17.156,48 18.32,49 0.095,50 1.544,51 6.009,52 6.281,53 6.538,54 6.505,58 4.526,59 7.413,60 4.409,61 3.448,62 4.031,63 7.509}
{0 CHEMBL1210243,1 5.526,2 -0.067,3 1.668,4 1.847,5 -0.045,6 1.61,7 1.891,9 0.494,10 1.895,11 3.707,12 1.102,13 1.881,20 9.476,21 10,22 8,23 1.681,24 3.523,26 0.507,27 -0.043,28 1.953,30 3.945,31 3.949,32 1.212,33 3.13,34 12.543,35 1.091,36 0.091,37 -0.065,38 0.347,39 2.813,40 61.29,41 0.051,42 3.984,43 1.996,44 13.664,45 14.835,46 15.985,47 17.155,48 18.319,49 0.075,50 1.544,51 6.009,52 6.281,53 6.538,54 6.505,58 4.526,59 7.413,60 4.409,61 3.448,62 4.031,63 6.842}
{0 CHEMBL1210244,1 5.547,2 -0.053,3 1.754,4 1.852,5 -0.01,6 1.695,7 1.943,9 0.448,10 1.899,11 3.748,12 1.082,13 1.917,20 9.476,21 12,22 10,23 1.658,24 3.618,26 0.459,27 -0.067,28 1.987,30 3.947,31 3.951,32 1.334,33 2.877,34 12.634,35 1.091,36 0.091,37 -0.019,38 0.355,39 2.813,40 50.29,41 0.048,42 3.986,43 2.018,44 13.766,45 14.95,46 16.113,47 17.296,48 18.474,49 0.096,50 1.567,51 6.031,52 6.303,53 6.565,54 6.548,58 4.547,59 7.556,60 4.453,61 3.49,62 4.031,63 8.155}
{0 CHEMBL1210311,1 5.547,2 -0.051,3 1.749,4 1.851,5 -0.059,6 1.691,7 1.939,9 0.471,10 1.899,11 3.753,12 1.081,13 1.918,20 9.476,21 12,22 10,23 2.016,24 3.617,26 0.483,27 -0.046,28 1.919,30 3.947,31 3.951,32 1.319,33 3.025,34 12.644,35 1.091,36 0.091,37 -0.029,38 0.355,39 2.875,40 65.25,41 0.048,42 3.987,43 2.019,44 13.774,45 14.956,46 16.117,47 17.3,48 18.477,49 -0.64,50 1.58,51 6.035,52 6.314,53 6.573,54 6.559,58 4.547,59 7.556,60 4.453,61 3.49,62 4.031,63 7.854}
{0 CHEMBL1210312,1 5.547,2 -0.049,3 1.744,4 1.851,5 -0.093,6 1.688,7 1.936,9 0.48,10 1.899,11 3.757,12 1.08,13 1.918,20 9.476,21 12,22 10,23 3.816,24 3.617,26 0.492,27 -0.034,28 1.851,30 3.947,31 3.951,32 1.296,33 3.085,34 12.721,35 1.091,36 0.091,37 -0.04,38 0.353,39 3.063,40 80.21,41 0.049,42 3.987,43 2.019,44 13.846,45 15.02,46 16.175,47 17.35,48 18.521,49 -0.011,50 1.578,51 6.04,52 6.325,53 6.581,54 6.57,58 4.547,59 7.556,60 4.453,61 3.49,62 4.031,63 7.658}
{0 CHEMBL1210313,1 5.547,2 -0.032,3 1.681,4 1.85,5 -0.027,6 1.621,7 1.908,9 0.482,10 1.897,11 3.722,12 1.067,13 1.897,20 9.476,21 10,22 10,23 1.674,24 3.53,26 0.495,27 -0.029,28 1.961,30 3.946,31 3.95,32 1.215,33 3.08,34 12.631,35 1.091,36 0.091,37 -0.022,38 0.355,39 2.813,40 61.29,41 0.048,42 3.986,43 1.998,44 13.765,45 14.948,46 16.112,47 17.295,48 18.473,49 0.076,50 1.567,51 6.031,52 6.303,53 6.565,54 6.548,58 4.547,59 7.556,60 4.453,61 3.49,62 4.031,63 6.105}
{0 CHEMBL1210411,1 5.575,3 1.69,4 1.854,5 -0.009,6 1.629,7 1.92,9 0.471,10 1.901,11 3.734,12 1.035,13 1.91,20 9.476,21 11,22 12,23 1.667,24 3.536,26 0.482,27 -0.016,28 1.97,30 3.948,31 3.952,32 1.219,33 3.032,34 12.72,35 1.091,36 0.091,37 0.017,38 0.362,39 2.938,40 61.29,41 0.048,42 3.988,43 2,44 13.869,45 15.065,46 16.243,47 17.439,48 18.632,49 0.078,50 1.591,51 6.052,52 6.325,53 6.591,54 6.589,58 4.575,59 7.701,60 4.496,61 3.532,62 4.031,63 6.987}
{0 CHEMBL1210412,1 5.583,2 -0.031,3 1.716,4 1.882,5 -0.008,6 1.653,7 1.955,9 0.454,10 1.926,11 3.769,12 1.055,13 1.951,20 9.476,21 11,22 12,23 1.644,24 3.559,26 0.466,27 -0.042,28 2.002,30 3.954,31 3.957,32 1.25,33 2.939,34 12.751,35 1.071,36 0.071,37 -0.015,38 0.35,39 2.688,40 61.29,41 0.043,42 3.992,43 2.01,44 13.9,45 15.102,46 16.283,47 17.484,48 18.681,49 0.102,50 1.558,51 6.12,52 6.397,53 6.665,54 6.694,58 4.583,59 7.712,60 4.508,61 3.543,62 4.031,63 6.4}
{0 CHEMBL1289571,1 5.411,2 -0.022,3 1.526,4 1.882,5 0.125,6 1.509,7 1.671,9 0.528,10 1.906,11 3.734,12 0.99,13 1.703,21 6,22 8,23 2.041,24 3.623,26 0.56,27 -0.049,28 2.748,30 3.932,31 3.941,32 1.093,33 3.162,34 11.908,35 1,37 0.022,38 0.341,39 1.625,40 59.797,41 0.039,42 3.994,43 1.947,44 12.929,45 14.05,46 15.112,47 16.218,48 17.299,50 1.518,51 6.311,52 6.604,53 6.895,54 7.173,58 4.411,59 6.618,60 4.083,61 3.096,62 4.025,63 7.5}
{0 CHEMBL1289677,1 5.405,2 -0.018,3 1.732,4 1.893,5 0.087,6 1.699,7 1.85,9 0.517,10 1.92,11 3.739,12 0.982,13 1.841,20 16.786,21 7,22 8,23 1.998,24 3.648,26 0.548,27 -0.038,28 3.021,30 3.934,31 3.938,32 1.092,33 3.123,34 11.8,35 1,37 0.031,38 0.339,39 1.75,40 67.075,41 0.039,42 3.974,43 1.944,44 12.801,45 13.916,46 14.962,47 16.06,48 17.129,50 1.511,51 6.435,52 6.692,53 7.003,54 7.3,58 4.405,59 6.618,60 4.078,61 3.093,62 3.997,63 7.7}
{0 CHEMBL1289678,1 5.411,2 -0.05,3 1.533,4 1.886,5 0.05,6 1.522,7 1.656,9 0.528,10 1.908,11 3.721,12 1.053,13 1.662,19 31.278,21 8,22 10,23 1.855,24 3.653,26 0.56,27 -0.094,28 3.88,30 4.018,31 3.969,32 1.094,33 3.162,34 11.676,35 1,37 0.022,38 0.341,39 1.625,40 50.29,41 0.039,42 4.268,43 1.946,44 12.669,45 13.779,46 14.82,47 15.914,48 16.98,50 1.518,51 6.311,52 6.604,53 6.895,54 7.173,58 4.411,59 6.618,60 4.077,61 3.096,62 4.025,63 6.1}
{0 CHEMBL1289780,1 5.405,2 -0.048,3 1.759,4 1.894,5 0.015,6 1.722,7 1.865,9 0.483,10 1.921,11 3.75,12 1.022,13 1.849,21 14,22 16,23 1.887,24 3.653,26 0.512,27 -0.088,28 3.7,30 3.974,31 3.972,32 1.092,33 2.932,34 11.886,35 1,37 0.005,38 0.339,39 1.75,40 50.29,41 0.039,42 3.983,43 1.944,44 12.896,45 14.017,46 15.071,47 16.175,48 17.25,50 1.511,51 6.435,52 6.692,53 7.003,54 7.3,58 4.405,59 6.618,60 4.08,61 3.093,62 3.997,63 6.6}
{0 CHEMBL1289781,1 5.411,2 -0.059,3 1.556,4 1.886,5 0.082,6 1.527,7 1.72,9 0.532,10 1.913,11 3.748,12 1.028,13 1.747,21 6,22 8,23 1.93,24 3.646,26 0.564,27 -0.063,28 3.427,30 3.956,31 3.962,32 1.094,33 3.2,34 11.817,35 1,37 -0.012,38 0.341,39 1.625,40 50.29,41 0.039,42 4.008,43 1.948,44 12.826,45 13.941,46 14.993,47 16.092,48 17.165,50 1.518,51 6.311,52 6.604,53 6.895,54 7.173,58 4.411,59 6.618,60 4.08,61 3.096,62 4.025,63 5.3}
{0 CHEMBL1289890,1 5.594,2 0.045,3 1.648,4 1.893,5 0.083,6 1.588,7 1.847,9 0.49,10 1.92,11 3.766,12 0.922,13 1.834,21 11,22 8,23 1.71,24 3.652,26 0.517,27 0.039,28 4.191,29 2.118,30 3.989,31 4,32 1.124,33 3.029,34 12.19,35 1.071,36 0.071,37 0.087,38 0.357,39 2.722,40 50.29,41 0.049,42 4.058,43 1.957,44 13.253,45 14.395,46 15.494,47 16.627,48 17.743,50 1.55,51 6.655,52 6.999,53 7.343,54 7.653,58 4.594,59 6.933,60 4.248,61 3.284,62 4.266,63 5.3}
{0 CHEMBL1289891,1 5.605,2 0.035,3 1.689,4 1.887,5 0.073,6 1.644,7 1.853,9 0.499,10 1.913,11 3.762,12 0.93,13 1.848,21 6,22 8,23 1.72,24 3.65,26 0.528,27 0.055,28 4.158,29 2.087,30 3.993,31 4.005,32 1.107,33 3.051,34 12.2,35 1.074,36 0.074,37 0.072,38 0.358,39 2.472,40 50.29,41 0.048,42 4.067,43 1.96,44 13.267,45 14.411,46 15.514,47 16.649,48 17.768,50 1.556,51 6.691,52 7.061,53 7.39,54 7.73,58 4.605,59 6.944,60 4.262,61 3.301,62 4.271,63 5.3}
{0 CHEMBL1290004,1 5.644,2 -0.038,3 1.52,4 1.885,5 0.072,6 1.496,7 1.673,9 0.516,10 1.912,11 3.757,12 1.011,13 1.695,14 96.2,21 6,22 8,23 1.73,24 3.648,26 0.548,27 -0.08,28 4.039,29 2.028,30 3.999,31 4.013,32 1.101,33 3.126,34 12.233,35 1.077,36 0.077,37 0.023,38 0.358,39 2.417,40 50.29,41 0.049,42 4.083,43 1.943,44 13.31,45 14.46,46 15.572,47 16.714,48 17.843,50 1.569,51 6.774,52 7.126,53 7.488,54 7.839,58 4.644,59 6.996,60 4.305,61 3.349,62 4.296,63 8}
{0 CHEMBL1765703,1 5.863,2 -0.091,3 1.73,4 1.875,5 -0.054,6 1.669,7 1.926,9 0.523,10 1.903,11 3.799,12 1.073,13 1.905,21 8,22 12,23 2.268,24 3.62,26 0.553,27 -0.056,28 2.229,30 3.978,31 3.981,32 1.131,33 3.225,34 12.974,35 1.074,36 0.074,37 -0.05,38 0.351,39 2.924,40 76.25,41 0.05,42 4.019,43 1.942,44 14.206,45 15.479,46 16.741,47 18.018,48 19.292,49 -0.375,50 1.565,51 6.419,52 6.705,53 6.915,54 7.019,58 4.863,59 8.278,60 4.734,61 3.776,62 4.14,63 8.23}
{0 CHEMBL1765704,1 5.863,2 -0.091,3 1.73,4 1.875,5 -0.054,6 1.669,7 1.926,9 0.523,10 1.903,11 3.799,12 1.073,13 1.905,21 8,22 12,23 2.268,24 3.62,26 0.553,27 -0.056,28 2.229,30 3.978,31 3.981,32 1.131,33 3.225,34 12.974,35 1.074,36 0.074,37 -0.05,38 0.351,39 2.924,40 76.25,41 0.05,42 4.019,43 1.942,44 14.206,45 15.479,46 16.741,47 18.018,48 19.292,49 -0.375,50 1.565,51 6.419,52 6.705,53 6.915,54 7.019,58 4.863,59 8.278,60 4.734,61 3.776,62 4.14,63 6}
{0 CHEMBL1800088,1 5.989,2 0.067,3 1.488,4 1.811,5 -0.084,6 1.437,7 1.674,8 105.441,9 0.567,10 1.837,11 3.654,12 0.913,13 1.691,14 69.013,20 16.786,21 20,22 15,23 1.868,24 3.512,26 0.602,27 0.02,28 4.355,29 2.292,30 4.07,31 4.079,32 1.037,33 3.341,34 13.182,35 1.167,36 0.167,37 0.046,38 0.358,39 2.701,40 42.746,41 0.057,42 4.128,43 1.919,44 14.458,45 15.763,46 17.06,47 18.366,48 19.67,49 0.565,50 1.582,51 7.001,52 7.387,53 7.687,54 7.947,55 1,56 1,57 1,58 4.989,59 8.318,60 4.787,61 3.816,62 4.513,63 6.18}
{0 CHEMBL1801267,1 5.845,2 -0.054,3 1.506,4 1.847,5 -0.078,6 1.458,7 1.67,8 105.441,9 0.475,10 1.873,11 3.654,12 0.942,13 1.678,14 69.013,20 16.786,21 22,22 22,23 1.537,24 3.517,26 0.514,27 -0.046,28 7.249,29 2.341,30 4.079,31 4.085,32 1.042,33 2.788,34 13.181,35 1.167,36 0.167,37 -0.04,38 0.358,39 2.701,40 16.786,41 0.057,42 6.88,43 1.909,44 14.456,45 15.762,46 17.058,47 18.365,48 19.669,50 1.582,51 7.13,52 7.565,53 7.921,54 8.22,55 1,56 1,57 1,58 4.991,59 8.318,60 4.787,61 3.816,62 4.516,63 6.604}
{0 CHEMBL1801268,1 5.857,2 -0.05,3 1.507,4 1.863,5 -0.071,6 1.459,7 1.671,8 114.88,9 0.524,10 1.886,11 3.654,12 0.939,13 1.679,14 75.208,20 16.786,21 22,22 22,23 1.698,24 3.517,26 0.571,27 -0.045,28 7.286,29 2.259,30 4.082,31 4.088,32 1.042,33 3.117,34 13.225,35 1.167,36 0.167,37 -0.031,38 0.366,39 2.889,40 47.845,41 0.056,42 6.88,43 1.909,44 14.493,45 15.793,46 17.085,47 18.388,48 19.689,50 1.606,51 7.221,52 7.639,53 8.009,54 8.334,55 1,56 1,57 1,58 4.993,59 8.319,60 4.789,61 3.817,62 4.517,63 6.433}
{0 CHEMBL1801269,1 5.845,2 -0.07,3 1.496,4 1.815,5 -0.101,6 1.447,7 1.665,8 105.441,9 0.515,10 1.84,11 3.653,12 0.958,13 1.675,14 69.013,20 33.571,21 19,22 18,23 1.577,24 3.516,26 0.558,27 -0.059,28 7.029,29 2.313,30 4.076,31 4.082,32 1.018,33 3.011,34 13.178,35 1.167,36 0.167,37 -0.06,38 0.358,39 2.701,40 33.571,41 0.057,42 6.88,43 1.907,44 14.455,45 15.76,46 17.057,47 18.364,48 19.669,50 1.582,51 7.13,52 7.565,53 7.921,54 8.22,55 3,56 1,57 1,58 4.991,59 8.318,60 4.787,61 3.816,62 4.516,63 6.455}
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{0 CHEMBL1801358,1 5.993,2 0.05,3 1.49,4 1.815,5 -0.113,6 1.44,7 1.671,8 117.06,9 0.586,10 1.834,11 3.678,12 0.919,13 1.682,14 77.231,15 1,16 1,17 1,18 39.149,19 39.149,20 55.934,21 19,22 16,23 1.567,24 3.518,25 6.227,26 0.619,27 0.027,28 6.292,29 2.343,30 4.072,31 4.081,32 1.041,33 3.511,34 13.193,35 1.167,36 0.167,37 0.029,38 0.358,39 2.764,40 77.934,41 0.054,42 4.144,43 1.917,44 14.469,45 15.773,46 17.069,47 18.375,48 19.68,49 0.58,50 1.591,51 7.121,52 7.52,53 7.852,54 8.102,55 1,56 1,57 1,58 4.993,59 8.319,60 4.79,61 3.818,62 4.526,63 7.086}
{0 CHEMBL1801359,1 6.018,2 0.054,3 1.49,4 1.814,5 -0.092,6 1.44,7 1.671,8 115.57,9 0.586,10 1.835,11 3.671,12 0.915,13 1.683,14 75.284,15 1,16 1,17 1,18 39.149,19 39.149,20 55.934,21 18,22 14,23 1.611,24 3.516,25 6.233,26 0.619,27 0.026,28 6.21,29 2.332,30 4.072,31 4.082,32 1.041,33 3.511,34 13.239,35 1.167,36 0.167,37 0.048,38 0.362,39 3.014,40 77.934,41 0.058,42 4.146,43 1.916,44 14.52,45 15.828,46 17.13,47 18.441,48 19.75,49 0.565,50 1.603,51 7.108,52 7.509,53 7.825,54 8.084,55 1,56 1,57 1,58 5.018,59 8.349,60 4.809,61 3.838,62 4.565,63 7.337}
{0 CHEMBL1801360,1 5.977,2 0.101,3 1.651,4 1.814,5 -0.149,6 1.588,7 1.853,8 144.91,9 0.577,10 1.834,11 3.68,12 0.86,13 1.813,14 96.094,15 1,16 1,17 1,18 39.149,19 39.149,20 55.934,21 20,22 18,23 1.803,24 3.527,25 6.237,26 0.606,27 0.153,28 5.658,29 2.213,30 4.069,31 4.079,32 1.128,33 3.579,34 13.258,35 1.174,36 0.174,37 0.071,38 0.372,39 4.049,40 92.079,41 0.069,42 4.143,43 1.887,44 14.518,45 15.808,46 17.093,47 18.389,48 19.685,49 0.59,50 1.646,51 7.121,52 7.521,53 7.865,54 8.125,55 1,56 1,57 1,58 4.99,59 8.314,60 4.784,61 3.813,62 4.525,63 7.301}
{0 CHEMBL1801361,1 5.961,2 0.162,3 1.557,4 1.814,5 -0.117,6 1.496,7 1.747,8 135.853,9 0.59,10 1.834,11 3.672,12 0.807,13 1.734,14 89.393,15 1,16 1,17 1,18 39.149,19 39.149,20 55.934,21 17,22 14,23 1.846,24 3.515,25 6.204,26 0.62,27 0.176,28 5.492,29 2.18,30 4.068,31 4.078,32 1.045,33 3.599,34 13.239,35 1.222,36 0.222,37 0.162,38 0.373,39 3.576,40 92.079,41 0.064,42 4.144,43 1.915,44 14.515,45 15.818,46 17.116,47 18.423,48 19.73,50 1.646,51 7.096,52 7.495,53 7.814,54 8.071,55 1,56 1,57 1,58 5.015,59 8.344,60 4.803,61 3.833,62 4.564,63 7.367}
{0 CHEMBL1801362,1 5.845,2 -0.04,3 1.498,4 1.841,5 0.046,6 1.448,7 1.667,8 105.441,9 0.507,10 1.867,11 3.635,12 0.929,13 1.677,14 69.013,20 33.571,21 17,22 17,23 1.6,24 3.486,26 0.549,27 0.047,28 6.693,29 2.279,30 4.057,31 4.066,32 0.95,33 2.961,34 13.157,35 1.167,36 0.167,37 -0.036,38 0.358,39 2.701,40 33.571,41 0.057,42 6.88,43 1.895,44 14.432,45 15.737,46 17.032,47 18.337,48 19.641,50 1.582,51 7.13,52 7.565,53 7.921,54 8.22,55 2,56 1,57 1,58 4.991,59 8.318,60 4.785,61 3.816,62 4.516,63 5.836}
{0 CHEMBL230333,1 5.16,2 -0.005,3 1.8,4 1.897,5 0.005,6 1.75,7 1.999,9 0.431,10 1.927,11 3.863,12 1.021,13 2.006,19 32.22,21 2,22 10,23 3.351,24 3.682,26 0.438,27 0.084,28 0.938,30 3.957,31 3.961,32 1.323,33 3.622,34 13.139,35 1,37 -0.022,38 0.313,39 10.25,40 1171.83,41 0.046,42 4.03,43 2.018,44 14.114,45 15.173,46 16.183,47 17.231,48 18.259,49 -31.982,50 1.524,51 6.349,52 6.586,53 6.596,54 6.626,58 4.162,59 6.399,60 3.998,61 3.019,62 3.477,63 9.12}
{0 CHEMBL469695,1 5.863,2 -0.091,3 1.73,4 1.875,5 -0.054,6 1.669,7 1.926,9 0.523,10 1.903,11 3.799,12 1.073,13 1.905,21 8,22 12,23 2.268,24 3.62,26 0.553,27 -0.056,28 2.229,30 3.978,31 3.981,32 1.131,33 3.225,34 12.974,35 1.074,36 0.074,37 -0.05,38 0.351,39 2.924,40 76.25,41 0.05,42 4.019,43 1.942,44 14.206,45 15.479,46 16.741,47 18.018,48 19.292,49 -0.375,50 1.565,51 6.419,52 6.705,53 6.915,54 7.019,58 4.863,59 8.278,60 4.734,61 3.776,62 4.14,63 7.745}
{0 CHEMBL469696,1 5.863,2 -0.092,3 1.731,4 1.88,5 -0.016,6 1.669,7 1.926,9 0.493,10 1.91,11 3.798,12 1.075,13 1.905,21 8,22 13,23 2.224,24 3.62,26 0.521,27 -0.07,28 2.846,30 3.978,31 3.981,32 1.134,33 3.039,34 12.966,35 1.074,36 0.074,37 -0.043,38 0.35,39 2.861,40 61.29,41 0.051,42 4.018,43 1.942,44 14.2,45 15.475,46 16.738,47 18.015,48 19.29,49 -0.323,50 1.55,51 6.408,52 6.68,53 6.902,54 7.007,58 4.863,59 8.278,60 4.734,61 3.776,62 4.14,63 8.699}