@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3117 @attribute molecule_id {CHEMBL121973,CHEMBL125148,CHEMBL125434,CHEMBL163319,CHEMBL164858,CHEMBL164903,CHEMBL164952,CHEMBL165437,CHEMBL166190,CHEMBL1771556,CHEMBL184576,CHEMBL185961,CHEMBL185999,CHEMBL186078,CHEMBL186136,CHEMBL186168,CHEMBL186589,CHEMBL187404,CHEMBL187601,CHEMBL187655,CHEMBL188821,CHEMBL188935,CHEMBL188936,CHEMBL189324,CHEMBL189334,CHEMBL189567,CHEMBL189761,CHEMBL189860,CHEMBL1909958,CHEMBL1909959,CHEMBL1909960,CHEMBL1909961,CHEMBL1909962,CHEMBL1909963,CHEMBL1909964,CHEMBL1909965,CHEMBL1909966,CHEMBL1909967,CHEMBL1909968,CHEMBL1909969,CHEMBL1909970,CHEMBL1909971,CHEMBL1909972,CHEMBL1909973,CHEMBL1909974,CHEMBL191595,CHEMBL191818,CHEMBL191873,CHEMBL192063,CHEMBL192091,CHEMBL192105,CHEMBL192379,CHEMBL192631,CHEMBL192874,CHEMBL192972,CHEMBL192986,CHEMBL192987,CHEMBL193088,CHEMBL193153,CHEMBL266946,CHEMBL332621,CHEMBL341537,CHEMBL349948,CHEMBL350410,CHEMBL362961,CHEMBL363060,CHEMBL363612,CHEMBL363853,CHEMBL364022,CHEMBL364023,CHEMBL364145,CHEMBL364174,CHEMBL364314,CHEMBL364361,CHEMBL364425,CHEMBL364654,CHEMBL364692,CHEMBL365193,CHEMBL365345,CHEMBL366224,CHEMBL370040,CHEMBL370057,CHEMBL370289,CHEMBL370702,CHEMBL370712,CHEMBL372223,CHEMBL372448,CHEMBL372473,CHEMBL372647,CHEMBL372667,CHEMBL372679,CHEMBL434153,CHEMBL436108} @attribute ATS8v numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute MPC10 numeric @attribute ATSC7i numeric @attribute Eig04_EA.ri. numeric @attribute ATS7p numeric @attribute ATSC8p numeric @attribute piID numeric @attribute piPC08 numeric @attribute PCD numeric @attribute TPC numeric @attribute Wap numeric @attribute ATS8e numeric @attribute MPC09 numeric @attribute piPC09 numeric @attribute piPC10 numeric @attribute P_VSA_m_2 numeric @attribute Eig07_AEA.dm. numeric @attribute ATSC7p numeric @attribute ATS7e numeric @attribute Eig07_AEA.ri. numeric @attribute piPC07 numeric @attribute Eig03_EA.bo. numeric @attribute SM13_AEA.ri. numeric @attribute ATSC8i numeric @attribute ATS7s numeric @attribute SpMax3_Bh.m. numeric @attribute MATS1i numeric @attribute PCR numeric @attribute piPC05 numeric @attribute SM06_EA.bo. numeric @attribute SM08_EA.bo. numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7v numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_EA.ed. numeric @attribute MATS4s numeric @attribute SM03_AEA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig08_EA.ri. numeric @attribute ATS5m numeric @attribute ATS6p numeric @attribute ATS6v numeric @attribute DELS numeric @attribute Eig05_AEA.dm. numeric @attribute Eig05_EA.ed. numeric @attribute MPC08 numeric @attribute piPC06 numeric @attribute SM14_AEA.dm. numeric @attribute SpMax3_Bh.e. numeric @attribute ATS6m numeric @attribute ATSC7m numeric @attribute SpMax3_Bh.v. numeric @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute pXC50 numeric @data {1 4.143,2 3.986,3 4.278,4 5.204,5 1.848,6 2.443,7 4.344,8 13.155,9 13.386,10 6.978,11 4.643,12 8.743,13 101222,14 5.053,15 5.069,16 7.405,17 7.793,18 216.403,19 2.202,20 13.925,21 5.033,22 3.004,23 6.503,24 3.647,25 3.647,26 1.907,27 5.861,28 3.864,29 -0.131,30 1.531,31 6.066,32 9.599,33 12.043,34 5.271,35 4.034,36 4.207,37 4.71,38 5.146,39 -0.052,40 5.146,41 3.931,42 1.692,43 4.018,44 4.348,45 4.224,46 10.408,47 2.612,48 6.775,49 4.927,50 6.143,51 6.775,52 3.931,53 4.048,54 33.601,55 3.812,56 1.3,57 10.6,58 3.855,59 4.879} {0 CHEMBL125148,1 4.08,2 3.936,3 4.208,4 5.204,5 1.798,6 2.44,7 4.283,8 11.947,9 13.339,10 6.974,11 4.595,12 8.744,13 101374,14 4.95,15 5.043,16 7.387,17 7.805,18 216.403,19 2.201,20 13.52,21 5.012,22 3.004,23 6.508,24 3.65,25 3.65,26 1.731,27 5.804,28 3.864,29 -0.131,30 1.525,31 6.071,32 9.597,33 12.036,34 5.27,35 3.963,36 4.142,37 4.8,38 5.404,39 -0.075,40 5.404,41 3.923,42 1.737,43 3.988,44 4.312,45 4.183,46 10.414,47 2.606,48 6.858,49 4.92,50 6.128,51 6.858,52 3.93,53 3.995,54 33.672,55 3.814,56 1.3,57 10.3,58 3.855,59 6.523} {0 CHEMBL125434,1 4.005,2 3.856,3 4.138,4 5.176,5 1.775,6 2.437,7 4.245,8 11.54,9 13.295,10 6.976,11 4.549,12 8.746,13 101526,14 4.919,15 5.043,16 7.389,17 7.791,18 216.403,19 2.201,20 13.139,21 4.995,22 3.004,23 6.496,24 3.641,25 3.641,26 1.659,27 5.793,28 3.863,29 -0.131,30 1.52,31 6.076,32 9.595,33 12.028,34 5.256,35 3.908,36 4.098,37 4.807,38 5.426,39 -0.09,40 5.426,41 3.921,42 1.743,43 3.958,44 4.286,45 4.158,46 10.399,47 2.6,48 6.899,49 4.92,50 6.131,51 6.899,52 3.93,53 3.97,54 33.264,55 3.814,56 1.3,57 11,58 3.855,59 5.678} {0 CHEMBL163319,1 4.079,2 3.841,3 4.24,4 5.263,5 1.955,6 2.617,7 4.322,8 13.298,9 13.445,10 7.008,11 4.479,12 8.966,13 146440,14 5.025,15 5.153,16 7.343,17 7.705,18 211.118,19 2.247,20 14.91,21 5.142,22 3.074,23 6.602,24 3.614,25 3.614,26 1.748,27 5.806,28 3.84,29 -0.204,30 1.5,31 6.167,32 9.67,33 12.105,34 5.428,35 3.877,36 4.144,37 4.924,38 5.773,39 -0.075,40 5.773,41 4.009,42 1.971,43 4.121,44 4.464,45 4.291,46 11.939,47 2.73,48 7.102,49 5.081,50 6.243,51 7.102,52 3.916,53 4.018,54 38.668,55 3.818,56 1.222,57 20.7,58 7.49,59 5.018} {0 CHEMBL164858,1 3.648,2 3.423,3 3.804,4 4.727,5 1.321,6 2.435,7 3.965,8 8.405,9 11.853,10 6.715,11 4.164,12 7.689,13 27620,14 4.579,15 4.615,16 7.056,17 7.426,18 247.033,19 2.047,20 10.574,21 4.747,22 2.865,23 6.262,24 3.562,25 3.562,26 1.148,27 5.529,28 3.812,29 0.007,30 1.541,31 6.001,32 9.57,33 12.001,34 5.026,35 3.556,36 3.796,37 4.773,38 5.347,39 -0.059,40 5.347,41 3.929,42 1.771,43 3.709,44 4.054,45 3.907,46 11.235,47 2.472,48 6.281,49 4.575,50 5.955,51 6.281,52 3.881,53 3.669,54 26.125,55 3.78,56 1.292,57 16,58 3.838,59 4.638} {0 CHEMBL164903,1 3.894,2 3.668,3 4.058,4 4.86,5 1.481,6 2.578,7 4.121,8 11.459,9 12.289,10 6.808,11 4.265,12 8.025,13 42596,14 4.871,15 4.762,16 7.156,17 7.529,18 221.073,19 2.199,20 11.758,21 4.846,22 3.002,23 6.417,24 3.608,25 3.608,26 1.472,27 5.593,28 3.825,29 -0.281,30 1.531,31 6.066,32 9.638,33 12.081,34 5.099,35 3.697,36 3.955,37 4.905,38 5.698,39 -0.113,40 5.698,41 3.993,42 1.882,43 3.869,44 4.196,45 4.039,46 8.454,47 2.715,48 7.061,49 4.727,50 6.116,51 7.061,52 3.893,53 3.789,54 28.459,55 3.794,56 1.253,57 17.706,58 5.656,59 4.77} {0 CHEMBL164952,1 4.134,2 3.892,3 4.297,4 5.303,5 2.17,6 2.616,7 4.41,8 14.096,9 13.653,10 7.019,11 4.509,12 9.144,13 185342,14 5.11,15 5.198,16 7.354,17 7.717,18 216.187,19 2.245,20 16.566,21 5.256,22 3.072,23 6.607,24 3.614,25 3.614,26 1.886,27 5.909,28 3.839,29 -0.194,30 1.493,31 6.171,32 9.671,33 12.104,34 5.547,35 3.945,36 4.224,37 4.924,38 5.772,39 -0.086,40 5.772,41 4.009,42 1.972,43 4.192,44 4.558,45 4.384,46 12.398,47 2.73,48 7.102,49 5.13,50 6.27,51 7.102,52 3.914,53 4.104,54 43.19,55 3.817,56 1.209,57 21,58 8.402,59 4.824} {0 CHEMBL165437,1 3.768,2 3.568,3 3.914,4 4.796,5 1.384,6 2.502,7 4.036,8 9.883,9 12.083,10 6.763,11 4.219,12 7.864,13 34738,14 4.672,15 4.691,16 7.107,17 7.479,18 182.097,19 2.145,20 11.48,21 4.821,22 2.919,23 6.342,24 3.577,25 3.577,26 1.209,27 5.631,28 3.82,29 -0.076,30 1.536,31 6.034,32 9.592,33 12.025,34 5.086,35 3.628,36 3.876,37 4.859,38 5.567,39 -0.017,40 5.567,41 3.946,42 1.818,43 3.794,44 4.109,45 3.963,46 16.505,47 2.646,48 6.683,49 4.654,50 6.039,51 6.683,52 3.89,53 3.731,54 28.418,55 3.8,56 1.344,57 17.375,58 4.122,59 4} {0 CHEMBL166190,1 4.126,2 3.886,3 4.293,4 5.081,5 2.228,6 2.613,7 4.436,8 14.601,9 13.213,10 7.028,11 4.656,12 8.557,13 85008,14 5.13,15 5.004,16 7.338,17 7.671,18 296.883,19 2.26,20 17.602,21 5.273,22 3.053,23 6.598,24 3.615,25 3.615,26 1.934,27 6.019,28 3.834,29 -0.227,30 1.544,31 6.175,32 9.675,33 12.107,34 5.56,35 3.95,36 4.243,37 4.923,38 5.768,39 -0.021,40 5.768,41 4.009,42 1.937,43 4.262,44 4.609,45 4.43,46 15.226,47 2.733,48 7.102,49 4.977,50 6.262,51 7.102,52 3.902,53 4.143,54 44.103,55 3.807,56 1.221,57 21,58 8.123,59 4.77} {0 CHEMBL1771556,1 4.07,2 3.921,3 4.206,4 5.529,5 2.024,6 2.626,7 4.325,8 12.981,9 13.8,10 7.191,11 4.575,12 9.225,13 183457,14 5.052,15 5.451,16 7.57,17 7.942,18 214.28,19 2.349,20 15.266,21 5.201,22 3.172,23 6.796,24 3.7,25 3.7,26 1.756,27 5.89,28 3.873,29 -0.266,30 1.496,31 6.286,32 9.84,33 12.36,34 5.489,35 3.946,36 4.16,37 4.885,38 5.655,39 -0.041,40 5.655,41 4.026,42 1.906,43 4.225,44 4.472,45 4.316,46 17.009,47 2.812,48 7.839,49 5.333,50 6.441,51 7.839,52 3.933,53 4.089,54 42.055,55 3.822,56 1.374,57 19.225,58 5.767,59 5.074} {0 CHEMBL184576,1 3.644,2 3.407,3 3.797,4 4.828,5 1.122,6 2.236,7 3.726,8 7.992,9 10.052,10 6.155,11 2.232,12 7.82,13 30999,14 4.559,15 4.828,16 6.312,17 6.389,18 114.962,19 1.836,20 7.482,21 4.64,22 2.723,23 5.921,24 3.132,25 3.132,26 1.088,27 5.228,28 3.758,29 -0.325,30 1.285,31 5.559,32 9.136,33 11.555,34 4.947,35 3.361,36 3.564,37 3.806,38 2.578,39 -0.129,40 2.578,41 3.683,42 0.983,43 3.657,44 3.935,45 3.728,46 8.179,47 2.411,48 6.665,49 4.727,50 5.659,51 6.665,52 3.869,53 3.436,54 23.535,55 3.746,56 1.272,57 13.296,58 3.082,59 4} {0 CHEMBL185961,1 3.908,2 3.903,3 4.051,4 5.106,5 1.52,6 2.383,7 4.122,8 10.448,9 12.576,10 6.81,11 4.143,12 8.433,13 69429,14 4.768,15 5.004,16 7.101,17 7.43,18 201.518,19 2.448,20 12.434,21 4.92,22 3.159,23 6.469,24 3.565,25 3.565,26 1.326,27 5.731,28 3.944,29 -0.27,30 1.491,31 6.113,32 9.707,33 12.161,34 5.184,35 3.949,36 3.958,37 4.907,38 5.569,39 -0.163,40 5.569,41 3.95,42 1.697,43 4.067,44 4.29,45 4.115,46 13.074,47 2.885,48 6.968,49 4.92,50 6.173,51 6.968,52 3.916,53 4.023,54 40.149,55 3.837,56 1.436,57 17.543,58 6.676,59 4.317} {0 CHEMBL185999,1 4.145,2 4.139,3 4.272,4 5.451,5 1.842,6 2.574,7 4.377,8 12.936,9 15.707,10 7.509,11 6.433,12 9.274,13 204417,14 4.961,15 5.303,16 7.904,17 8.333,18 287.536,19 2.721,20 15.516,21 5.088,22 3.327,23 7.079,24 3.8,25 3.8,26 1.672,27 5.938,28 3.964,29 -0.199,30 1.694,31 6.531,32 10.065,33 12.55,34 5.33,35 4.161,36 4.219,37 5.05,38 6.108,39 -0.149,40 6.108,41 4.019,42 2.002,43 4.31,44 4.533,45 4.375,46 14.991,47 2.885,48 7.64,49 5.22,50 6.673,51 7.64,52 3.947,53 4.258,54 44.055,55 3.879,56 1.383,57 22,58 9.26,59 5.745} {0 CHEMBL186078,1 4.09,2 3.885,3 4.233,4 5.303,5 1.75,6 2.547,7 4.243,8 12.492,9 13.356,10 7.243,11 4.632,12 8.725,13 100147,14 4.924,15 5.215,16 7.638,17 8.007,18 200.98,19 2.165,20 12.914,21 4.999,22 3.024,23 6.835,24 3.688,25 3.688,26 1.638,27 5.725,28 3.865,29 -0.227,30 1.531,31 6.212,32 9.706,33 12.195,34 5.269,35 3.889,36 4.096,37 4.46,38 4.537,39 0.014,40 4.537,41 3.928,42 1.719,43 4.081,44 4.363,45 4.201,46 10.695,47 2.663,48 7.437,49 5.094,50 6.399,51 7.437,52 3.93,53 3.966,54 33.627,55 3.831,56 1.252,57 16.056,58 5.665,59 5.237} {0 CHEMBL186136,1 4.005,2 3.825,3 4.142,4 5.342,5 1.729,6 2.544,7 4.196,8 11.394,9 13.44,10 7.249,11 4.516,12 8.925,13 130587,14 4.898,15 5.22,16 7.631,17 8.033,18 206.049,19 2.22,20 13.032,21 5.007,22 3.079,23 6.832,24 3.692,25 3.692,26 1.581,27 5.679,28 3.864,29 -0.215,30 1.506,31 6.227,32 9.705,33 12.181,34 5.287,35 3.795,36 4.028,37 4.448,38 4.511,39 -0.011,40 4.511,41 3.926,42 1.759,43 4.081,44 4.379,45 4.203,46 11.09,47 2.715,48 7.583,49 5.13,50 6.4,51 7.583,52 3.929,53 3.93,54 33.853,55 3.831,56 1.236,57 19.053,58 6.578,59 5.056} {0 CHEMBL186168,1 3.92,2 3.742,3 4.063,4 5.106,5 1.705,6 2.414,7 4.198,8 11.12,9 13.62,10 7.14,11 5.25,12 8.37,13 65064,14 4.871,15 5.004,16 7.509,17 7.88,18 255.211,19 2.135,20 12.939,21 4.964,22 3.003,23 6.711,24 3.667,25 3.667,26 1.57,27 5.738,28 3.841,29 -0.246,30 1.627,31 6.248,32 9.769,33 12.223,34 5.224,35 3.825,36 4.039,37 4.734,38 5.183,39 -0.093,40 5.183,41 3.914,42 1.75,43 4.077,44 4.364,45 4.206,46 8.051,47 2.444,48 6.737,49 4.927,50 6.307,51 6.737,52 3.907,53 3.973,54 32.131,55 3.836,56 1.264,57 16.806,58 6.412,59 4.426} {0 CHEMBL186589,1 3.836,2 3.629,3 3.992,4 5.056,5 1.525,6 2.331,7 4.073,8 10.084,9 11.6,10 6.808,11 3.425,12 8.175,13 50120,14 4.822,15 4.949,16 7.144,17 7.492,18 161.773,19 1.859,20 11.236,21 4.894,22 2.77,23 6.399,24 3.59,25 3.59,26 1.41,27 5.574,28 3.788,29 -0.275,30 1.419,31 5.915,32 9.408,33 11.853,34 5.171,35 3.666,36 3.903,37 4.413,38 4.399,40 4.399,41 3.734,42 1.657,43 3.921,44 4.23,45 4.059,46 9.211,47 2.371,48 6.443,49 4.868,50 6.033,51 6.443,52 3.871,53 3.803,54 30.223,55 3.775,56 1.253,57 15.219,58 5.059,59 4.277} {0 CHEMBL187404,1 4.144,2 3.934,3 4.291,4 5.38,5 1.97,6 2.544,7 4.339,8 13.38,9 13.591,10 7.256,11 4.666,12 8.925,13 130587,14 5.018,15 5.257,16 7.651,17 8.029,18 206.049,19 2.162,20 14.649,21 5.13,22 3.023,23 6.848,24 3.688,25 3.688,26 1.785,27 5.836,28 3.862,29 -0.215,30 1.523,31 6.235,32 9.709,33 12.195,34 5.407,35 3.956,36 4.18,37 4.445,38 4.503,39 0.007,40 4.503,41 3.926,42 1.759,43 4.153,44 4.466,45 4.303,46 11.175,47 2.662,48 7.436,49 5.142,50 6.406,51 7.436,52 3.928,53 4.057,54 38.357,55 3.829,56 1.236,57 17.368,58 6.578,59 5.721} {0 CHEMBL187601,1 3.927,2 4.005,3 4.061,4 5.22,5 1.587,6 2.464,7 4.269,8 10.987,9 14.059,10 7.228,11 5.358,12 8.701,13 98280,14 4.779,15 5.13,16 7.619,17 7.999,18 231.309,19 2.623,20 14.089,21 4.977,22 3.169,23 6.808,24 3.727,25 3.727,26 1.316,27 5.887,28 3.961,29 -0.25,30 1.616,31 6.359,32 9.964,33 12.461,34 5.218,35 4.203,36 4.108,37 4.977,38 5.791,39 0.188,40 5.791,41 4.038,42 1.877,43 4.397,44 4.462,45 4.299,46 20.192,47 2.934,48 7.344,49 5.03,50 6.491,51 7.344,52 3.915,53 4.331,54 44.935,55 3.853,56 1.52,57 18.2,58 9.07,59 5.013} {0 CHEMBL187655,1 4.001,2 4.051,3 4.142,4 5.242,5 1.621,6 2.447,7 4.331,8 12.488,9 14.136,10 7.232,11 5.435,12 8.701,13 98280,14 4.9,15 5.153,16 7.634,17 7.999,18 231.309,19 2.623,20 14.144,21 4.998,22 3.17,23 6.805,24 3.749,25 3.749,26 1.505,27 5.94,28 3.963,29 -0.25,30 1.625,31 6.355,32 9.965,33 12.466,34 5.219,35 4.259,36 4.176,37 4.945,38 5.63,39 0.2,40 5.63,41 4.034,42 1.831,43 4.417,44 4.492,45 4.335,46 20.26,47 2.952,48 7.373,49 5.037,50 6.502,51 7.373,52 3.915,53 4.369,54 42.561,55 3.853,56 1.52,57 17.325,58 9.07,59 5.076} {0 CHEMBL188821,1 3.749,2 3.557,3 3.898,4 5.03,5 1.451,6 2.371,7 3.992,8 9.043,9 11.528,10 6.802,11 3.353,12 8.175,13 50120,14 4.69,15 4.92,16 7.12,17 7.492,18 161.773,19 1.858,20 10.678,21 4.871,22 2.769,23 6.405,24 3.574,25 3.574,26 1.253,27 5.497,28 3.788,29 -0.275,30 1.41,31 5.921,32 9.406,33 11.844,34 5.171,35 3.562,36 3.813,37 4.421,38 4.426,39 -0.019,40 4.426,41 3.757,42 1.682,43 3.888,44 4.191,45 4.011,46 9.19,47 2.366,48 6.349,49 4.86,50 6.015,51 6.349,52 3.871,53 3.734,54 29.588,55 3.775,56 1.253,57 16.063,58 5.059,59 4.424} {0 CHEMBL188935,1 3.761,2 3.561,3 3.913,4 4.949,5 1.312,6 2.334,7 3.947,8 9.304,9 11.364,10 6.788,11 3.4,12 7.965,13 37632,14 4.707,15 4.89,16 7.123,17 7.454,18 156.703,19 1.84,20 9.569,21 4.726,22 2.728,23 6.379,24 3.59,25 3.59,26 1.277,27 5.427,28 3.791,29 -0.293,30 1.427,31 5.882,32 9.405,33 11.853,34 4.993,35 3.575,36 3.791,37 4.428,38 4.428,39 0.015,40 4.428,41 3.739,42 1.615,43 3.828,44 4.097,45 3.927,46 8.754,47 2.374,48 6.445,49 4.804,50 6.023,51 6.445,52 3.872,53 3.685,54 25.547,55 3.776,56 1.273,57 13.9,58 4.147,59 4.075} {0 CHEMBL188936,1 4,2 4,3 4.142,4 5.198,5 1.652,6 2.425,7 4.276,8 12.038,9 13.875,10 7.187,11 5.332,12 8.543,13 80862,14 4.89,15 5.056,16 7.557,17 7.963,18 243.26,19 2.414,20 13.811,21 4.985,22 3.152,23 6.759,24 3.699,25 3.699,26 1.533,27 5.858,28 3.941,29 -0.248,30 1.624,31 6.311,32 9.867,33 12.334,34 5.221,35 4.074,36 4.117,37 4.928,38 5.678,39 -0.133,40 5.678,41 3.965,42 1.827,43 4.184,44 4.407,45 4.254,46 13.168,47 2.882,48 6.831,49 4.984,50 6.406,51 6.831,52 3.911,53 4.169,54 40.001,55 3.844,56 1.423,57 18.132,58 7.741,59 5.143} {0 CHEMBL189324,1 4.553,2 4.535,3 4.714,4 5.999,5 2.735,6 2.573,7 4.789,8 21.325,9 16.898,10 8.138,11 6.898,12 10,13 443791,14 5.369,15 5.924,16 8.594,17 8.866,18 237.225,19 2.722,20 23.012,21 5.48,22 3.282,23 7.697,24 3.964,25 3.964,26 2.329,27 6.279,28 3.942,29 -0.162,30 1.69,31 6.87,32 10.463,33 13.241,34 5.732,35 4.573,36 4.629,37 5.119,38 6.059,39 0.031,40 6.059,41 3.969,42 1.953,43 4.68,44 4.875,45 4.722,46 19.927,47 2.938,48 8.815,49 5.765,50 7.229,51 8.815,52 3.978,53 4.633,54 60.658,55 3.932,56 1.365,57 16.522,58 9.668,59 5.921} {0 CHEMBL189334,1 3.91,2 3.96,3 4.051,4 5.153,5 1.495,6 2.415,7 4.186,8 10.765,9 12.838,10 6.875,11 4.239,12 8.6,13 85071,14 4.78,15 5.106,16 7.219,17 7.491,18 189.567,19 2.623,20 13.153,21 4.934,22 3.181,23 6.53,24 3.646,25 3.646,26 1.301,27 5.823,28 3.967,29 -0.272,30 1.493,31 6.166,32 9.821,33 12.316,34 5.182,35 4.157,36 4.028,37 4.907,38 5.442,39 0.186,40 5.442,41 4.024,42 1.67,43 4.325,44 4.386,45 4.207,46 20.165,47 2.972,48 7.422,49 4.977,50 6.292,51 7.422,52 3.921,53 4.252,54 44.37,55 3.847,56 1.538,57 16.73,58 8.005,59 4} {0 CHEMBL189567,1 3.84,2 3.677,3 3.976,4 5.081,5 1.662,6 2.438,7 4.127,8 9.908,9 13.543,10 7.136,11 5.173,12 8.37,13 65064,14 4.745,15 4.977,16 7.492,17 7.88,18 255.211,19 2.134,20 12.539,21 4.942,22 3.003,23 6.715,24 3.644,25 3.644,26 1.388,27 5.673,28 3.841,29 -0.246,30 1.618,31 6.252,32 9.767,33 12.217,34 5.223,35 3.737,36 3.96,37 4.835,38 5.452,39 -0.115,40 5.452,41 3.923,42 1.798,43 4.049,44 4.329,45 4.165,46 8.024,47 2.438,48 6.664,49 4.92,50 6.293,51 6.664,52 3.907,53 3.915,54 32.107,55 3.835,56 1.264,57 17.667,58 6.412,59 4.824} {0 CHEMBL189761,1 3.926,2 3.951,3 4.061,4 5.176,5 1.614,6 2.446,7 4.21,8 10.689,9 13.798,10 7.183,11 5.255,12 8.543,13 80862,14 4.767,15 5.03,16 7.541,17 7.963,18 243.26,19 2.408,20 13.565,21 4.964,22 3.151,23 6.763,24 3.677,25 3.677,26 1.347,27 5.8,28 3.94,29 -0.248,30 1.615,31 6.315,32 9.866,33 12.329,34 5.22,35 4.006,36 4.045,37 4.947,38 5.779,39 -0.147,40 5.779,41 3.971,42 1.868,43 4.159,44 4.373,45 4.215,46 13.128,47 2.879,48 6.778,49 4.977,50 6.394,51 6.778,52 3.911,53 4.121,54 41.083,55 3.844,56 1.423,57 19,58 7.741,59 5.538} {0 CHEMBL189860,1 4.076,2 3.919,3 4.204,4 5.38,5 1.895,6 2.573,7 4.307,8 12.198,9 15.453,10 7.475,11 6.344,12 9.109,13 166379,14 4.944,15 5.263,16 7.87,17 8.277,18 299.487,19 2.336,20 14.667,21 5.069,22 3.234,23 7.045,24 3.771,25 3.771,26 1.713,27 5.828,28 3.888,29 -0.198,30 1.696,31 6.481,32 9.985,33 12.461,34 5.334,35 3.937,36 4.149,37 5,38 5.871,39 -0.117,40 5.871,41 3.997,42 1.948,43 4.215,44 4.495,45 4.332,46 9.868,47 2.728,48 7.636,49 5.176,50 6.598,51 7.636,52 3.945,53 4.081,54 35.807,55 3.872,56 1.24,57 20.667,58 7.931,59 5.367} {0 CHEMBL1909958,1 4.489,2 4.73,3 4.415,4 6.159,5 4.424,6 2.838,7 4.465,8 16.689,9 15.871,10 8.141,11 6.066,12 9.805,13 319903,14 5.392,15 6.004,16 8.642,17 9.095,18 256.217,19 2.861,20 17.457,21 5.376,22 3.59,23 7.69,24 3.944,25 3.944,26 3.786,27 7.038,28 3.9,29 -0.073,30 1.619,31 6.76,32 10.447,33 13.114,34 5.543,35 4.86,36 4.567,37 5.759,38 7.408,39 0.086,40 7.408,41 4.349,42 2.264,43 4.835,44 4.497,45 4.564,46 140.867,47 3.008,48 9.181,49 5.802,50 7.196,51 9.181,52 3.953,53 4.815,54 37.851,55 3.871,56 1.853,57 20.667,58 7.162,59 5.015} {0 CHEMBL1909959,1 4.284,2 4.414,3 4.262,4 5.994,5 3.126,6 2.688,7 4.279,8 12.877,9 15.787,10 8.077,11 6.182,12 9.605,13 260359,14 5.092,15 5.844,16 8.564,17 9.014,18 252.569,19 2.662,20 13.583,21 5.142,22 3.587,23 7.613,24 3.93,25 3.93,26 2.529,27 6.677,28 3.898,29 -0.09,30 1.644,31 6.718,32 10.34,33 12.992,34 5.322,35 4.539,36 4.331,37 5.34,38 6.927,39 0.05,40 6.927,41 4.114,42 2.157,43 4.597,44 4.351,45 4.396,46 94.105,47 2.876,48 9.031,49 5.666,50 7.133,51 9.031,52 3.952,53 4.603,54 34.241,55 3.869,56 1.795,57 20.375,58 6.179,59 4.623} {0 CHEMBL1909960,1 4.284,2 4.414,3 4.262,4 5.994,5 3.126,6 2.688,7 4.279,8 12.877,9 15.787,10 8.077,11 6.182,12 9.605,13 260359,14 5.092,15 5.844,16 8.564,17 9.014,18 252.569,19 2.662,20 13.583,21 5.142,22 3.587,23 7.613,24 3.93,25 3.93,26 2.529,27 6.677,28 3.898,29 -0.09,30 1.644,31 6.718,32 10.34,33 12.992,34 5.322,35 4.539,36 4.331,37 5.34,38 6.927,39 0.05,40 6.927,41 4.114,42 2.157,43 4.597,44 4.351,45 4.396,46 94.105,47 2.876,48 9.031,49 5.666,50 7.133,51 9.031,52 3.952,53 4.603,54 34.241,55 3.869,56 1.795,57 20.375,58 6.179,59 4.699} {0 CHEMBL1909961,1 4.694,2 5.003,3 4.579,4 6.279,5 5.245,6 2.982,7 4.597,8 20.482,9 15.951,10 8.187,11 5.966,12 9.985,13 388951,14 5.579,15 6.103,16 8.679,17 9.142,18 259.865,19 2.947,20 19.504,21 5.468,22 3.635,23 7.726,24 3.971,25 3.971,26 5.099,27 7.152,28 3.902,29 -0.063,30 1.597,31 6.781,32 10.545,33 13.224,34 5.622,35 5.028,36 4.711,37 6.052,38 8.659,39 0.332,40 8.659,41 4.478,42 2.418,43 4.971,44 4.594,45 4.69,46 189.741,47 3.151,48 9.515,49 5.922,50 7.223,51 9.515,52 3.954,53 5.01,54 34.25,55 3.873,56 1.881,57 21,58 8.145,59 4.762} {0 CHEMBL1909962,1 4.774,2 5.064,3 4.684,4 6.365,5 5.582,6 2.982,7 4.764,8 23.262,9 16.555,10 8.244,11 6.26,12 10.294,13 574575,14 5.692,15 6.18,16 8.73,17 9.197,18 309.109,19 3.151,20 23.976,21 5.654,22 3.718,23 7.767,24 3.971,25 3.971,26 5.358,27 7.226,28 3.906,29 -0.121,30 1.608,31 6.814,32 10.588,33 13.253,34 5.839,35 5.083,36 4.827,37 6.053,38 8.664,39 0.268,40 8.664,41 4.479,42 2.601,43 5.06,44 4.758,45 4.825,46 201.53,47 3.708,48 9.515,49 5.994,50 7.255,51 9.515,52 3.957,53 5.091,54 51.71,55 3.875,56 1.887,57 22.606,58 8.182,59 5.372} {0 CHEMBL1909963,1 4.587,2 4.81,3 4.538,4 6.256,5 4.816,6 2.839,7 4.654,8 19.523,9 16.496,10 8.2,11 6.356,12 10.14,13 489723,14 5.527,15 6.089,16 8.695,17 9.153,18 305.46,19 3.007,20 21.97,21 5.579,22 3.698,23 7.732,24 3.944,25 3.944,26 4.053,27 7.121,28 3.904,29 -0.141,30 1.627,31 6.794,32 10.495,33 13.146,34 5.777,35 4.925,36 4.701,37 5.828,38 7.912,39 0.031,40 7.912,41 4.35,42 2.579,43 4.935,44 4.676,45 4.717,46 151.712,47 3.566,48 9.181,49 5.883,50 7.229,51 9.181,52 3.957,53 4.913,54 54.144,55 3.874,56 1.854,57 22.367,58 7.199,59 5.509} {0 CHEMBL1909964,1 4.402,2 4.521,3 4.404,4 6.107,5 3.557,6 2.693,7 4.502,8 15.858,9 16.435,10 8.14,11 6.464,12 9.971,13 415023,14 5.27,15 5.943,16 8.621,17 9.076,18 301.812,19 2.872,20 18.172,21 5.392,22 3.654,23 7.659,24 3.93,25 3.93,26 2.807,27 6.795,28 3.903,29 -0.175,30 1.648,31 6.753,32 10.393,33 13.028,34 5.606,35 4.627,36 4.498,37 5.812,38 7.865,39 -0.014,40 7.865,41 4.114,42 2.471,43 4.724,44 4.556,45 4.574,46 103.874,47 3.053,48 9.032,49 5.759,50 7.169,51 9.032,52 3.956,53 4.722,54 49.022,55 3.872,56 1.793,57 22.185,58 6.216,59 6.523} {0 CHEMBL1909965,1 4.587,2 4.81,3 4.538,4 6.256,5 4.816,6 2.839,7 4.654,8 19.523,9 16.496,10 8.2,11 6.356,12 10.14,13 489723,14 5.527,15 6.089,16 8.695,17 9.153,18 305.46,19 3.007,20 21.97,21 5.579,22 3.698,23 7.732,24 3.944,25 3.944,26 4.053,27 7.121,28 3.904,29 -0.141,30 1.627,31 6.794,32 10.495,33 13.146,34 5.777,35 4.925,36 4.701,37 5.828,38 7.912,39 0.031,40 7.912,41 4.35,42 2.579,43 4.935,44 4.676,45 4.717,46 151.712,47 3.566,48 9.181,49 5.883,50 7.229,51 9.181,52 3.957,53 4.913,54 54.144,55 3.874,56 1.854,57 22.367,58 7.199,59 5.699} {0 CHEMBL1909966,1 4.675,2 5.12,3 4.546,4 6.392,5 5.315,6 2.845,7 4.585,8 18.686,9 15.877,10 8.222,11 5.953,12 9.924,13 361850,14 5.591,15 6.151,16 8.652,17 9.108,18 271.736,19 3.178,20 19.98,21 5.517,22 3.699,23 7.764,24 4.296,25 4.296,26 4.394,27 7.187,28 3.946,29 -0.059,30 1.6,31 6.828,32 10.594,33 13.292,34 5.679,35 5.052,36 4.713,37 6.081,38 8.773,39 0.207,40 8.773,41 4.352,42 2.288,43 5.155,44 4.639,45 4.742,46 224.823,47 3.566,48 10.415,49 6.028,50 7.255,51 10.415,52 3.975,53 5.023,54 37.539,55 3.882,56 1.888,57 20.794,58 8.989,59 5.357} {0 CHEMBL1909967,1 4.848,2 5.312,3 4.691,4 6.488,5 6.259,6 2.984,7 4.703,8 22.466,9 15.957,10 8.265,11 5.862,12 10.095,13 436862,14 5.747,15 6.236,16 8.689,17 9.154,18 275.384,19 3.188,20 22.104,21 5.598,22 3.729,23 7.797,24 4.31,25 4.31,26 5.706,27 7.286,28 3.95,29 -0.052,30 1.581,31 6.847,32 10.678,33 13.384,34 5.748,35 5.193,36 4.838,37 6.427,38 9.477,39 0.333,40 9.477,41 4.48,42 2.425,43 5.256,44 4.723,45 4.848,46 275.185,47 4.094,48 11.775,49 6.125,50 7.28,51 11.775,52 3.976,53 5.184,54 33.621,55 3.883,56 1.893,57 21.159,58 9.972,59 4.87} {0 CHEMBL1909968,1 4.675,2 5.12,3 4.546,4 6.392,5 5.315,6 2.845,7 4.585,8 18.686,9 15.877,10 8.222,11 5.953,12 9.924,13 361850,14 5.591,15 6.151,16 8.652,17 9.108,18 271.736,19 3.178,20 19.98,21 5.517,22 3.699,23 7.764,24 4.296,25 4.296,26 4.394,27 7.187,28 3.946,29 -0.059,30 1.6,31 6.828,32 10.594,33 13.292,34 5.679,35 5.052,36 4.713,37 6.081,38 8.773,39 0.207,40 8.773,41 4.352,42 2.288,43 5.155,44 4.639,45 4.742,46 224.823,47 3.566,48 10.415,49 6.028,50 7.255,51 10.415,52 3.975,53 5.023,54 37.539,55 3.882,56 1.888,57 20.794,58 8.989,59 5.377} {0 CHEMBL1909969,1 4.683,2 5.16,3 4.564,4 6.392,5 5.305,6 2.845,7 4.587,8 19.277,9 15.877,10 8.222,11 5.953,12 9.924,13 361850,14 5.583,15 6.151,16 8.652,17 9.108,18 277.435,19 3.178,20 19.798,21 5.495,22 3.699,23 7.764,24 4.296,25 4.296,26 4.419,27 7.177,28 3.954,29 -0.062,30 1.6,31 6.828,32 10.594,33 13.292,34 5.65,35 5.072,36 4.712,37 6.081,38 8.773,39 0.21,40 8.773,41 4.352,42 2.282,43 5.193,44 4.645,45 4.74,46 219.308,47 3.566,48 10.415,49 6.028,50 7.255,51 10.415,52 3.975,53 5.045,54 30.23,55 3.882,56 1.935,57 20.794,58 11.396,59 4.848} {0 CHEMBL1909970,1 4.516,2 4.966,3 4.435,4 6.263,5 3.868,6 2.71,7 4.425,8 15.363,9 15.794,10 8.163,11 6.058,12 9.736,13 296846,14 5.342,15 6.014,16 8.575,17 9.027,18 273.787,19 3.021,20 15.896,21 5.29,22 3.669,23 7.692,24 4.265,25 4.265,26 3.42,27 6.871,28 3.951,29 -0.073,30 1.622,31 6.788,32 10.501,33 13.19,34 5.454,35 4.82,36 4.511,37 6.033,38 8.622,39 0.238,40 8.622,41 4.136,42 2.17,43 5.033,44 4.521,45 4.601,46 170.864,47 3.181,48 9.355,49 5.922,50 7.196,51 9.355,52 3.973,53 4.88,54 29.063,55 3.879,56 1.922,57 20.456,58 10.413,59 4.903} {0 CHEMBL1909971,1 4.855,2 5.345,3 4.707,4 6.488,5 6.256,6 2.984,7 4.705,8 23.023,9 15.957,10 8.265,11 5.862,12 10.095,13 436862,14 5.74,15 6.236,16 8.689,17 9.154,18 281.083,19 3.188,20 21.787,21 5.577,22 3.729,23 7.797,24 4.31,25 4.31,26 5.738,27 7.276,28 3.956,29 -0.054,30 1.581,31 6.847,32 10.678,33 13.384,34 5.721,35 5.21,36 4.837,37 6.427,38 9.477,39 0.339,40 9.477,41 4.48,42 2.423,43 5.29,44 4.729,45 4.846,46 269.606,47 4.094,48 11.775,49 6.125,50 7.28,51 11.775,52 3.976,53 5.203,54 25.831,55 3.884,56 1.936,57 21.159,58 12.379,59 4.936} {0 CHEMBL1909972,1 4.603,2 4.983,3 4.537,4 6.351,5 4.262,6 2.714,7 4.618,8 17.901,9 16.44,10 8.221,11 6.358,12 10.082,13 464734,14 5.492,15 6.098,16 8.631,17 9.089,18 317.331,19 3.181,20 20.577,21 5.531,22 3.733,23 7.735,24 4.265,25 4.265,26 3.691,27 6.981,28 3.945,29 -0.13,30 1.631,31 6.822,32 10.547,33 13.22,34 5.734,35 4.864,36 4.652,37 6.034,38 8.629,39 0.183,40 8.629,41 4.136,42 2.471,43 5.075,44 4.69,45 4.75,46 187.434,47 3.708,48 9.356,49 5.994,50 7.229,51 9.356,52 3.977,53 4.948,54 51.44,55 3.881,56 1.873,57 22.238,58 8.042,59 5.211} {0 CHEMBL1909973,1 4.234,2 4.392,3 4.229,4 5.953,5 3.189,6 2.644,7 4.362,8 13.899,9 14.526,10 7.967,11 5.264,12 9.262,13 166698,14 5.143,15 5.808,16 8.444,17 8.873,18 257.536,19 2.766,20 16.081,21 5.298,22 3.597,23 7.478,24 3.778,25 3.778,26 2.463,27 6.745,28 3.862,29 -0.209,30 1.568,31 6.584,32 10.253,33 12.897,34 5.512,35 4.53,36 4.365,37 5.811,38 7.86,39 -0.021,40 7.86,41 4.093,42 2.468,43 4.627,44 4.4,45 4.446,46 102.237,47 3.062,48 8.713,49 5.624,50 7.008,51 8.713,52 3.918,53 4.638,54 45.046,55 3.817,56 1.858,57 19,58 4.698,59 5.87} {0 CHEMBL1909974,1 4.449,2 4.714,3 4.386,4 6.125,5 4.466,6 2.806,7 4.535,8 17.402,9 14.589,10 8.038,11 5.146,12 9.442,13 198246,14 5.43,15 5.974,16 8.531,17 8.966,18 261.184,19 3.009,20 19.874,21 5.501,22 3.658,23 7.566,24 3.811,25 3.811,26 3.596,27 7.086,28 3.862,29 -0.168,30 1.545,31 6.633,32 10.37,33 13.031,34 5.698,35 4.854,36 4.595,37 5.827,38 7.906,39 0.027,40 7.906,41 4.327,42 2.519,43 4.858,44 4.54,45 4.606,46 149.742,47 3.566,48 8.929,49 5.765,50 7.079,51 8.929,52 3.918,53 4.844,54 49.692,55 3.817,56 1.915,57 19.111,58 5.681,59 4.824} {0 CHEMBL191595,1 4.644,2 4.424,3 4.791,4 6.014,5 3.114,6 2.659,7 4.892,8 22.333,9 18.458,10 8.232,11 8.251,12 10.207,13 589369,14 5.475,15 5.914,16 8.712,17 9.038,18 347.684,19 2.482,20 24.712,21 5.57,22 3.303,23 7.759,24 3.964,25 3.964,26 2.843,27 6.392,28 3.927,29 -0.145,30 1.808,31 6.974,32 10.557,33 13.298,34 5.817,35 4.531,36 4.746,37 5.335,38 6.65,39 -0.079,40 6.65,41 4.1,42 2.091,43 4.639,44 4.962,45 4.821,46 13.641,47 2.88,48 9.171,49 5.753,50 7.259,51 9.171,52 3.977,53 4.601,54 57.849,55 3.931,56 1.215,57 19.12,58 10.605,59 6.398} {0 CHEMBL191818,1 4.216,2 4.178,3 4.343,4 5.572,5 1.755,6 2.526,7 4.418,8 12.291,9 16.188,10 7.93,11 7.001,12 9.188,13 170107,14 4.921,15 5.521,16 8.398,17 8.633,18 278.21,19 2.546,20 15.079,21 5.051,22 3.195,23 7.492,24 3.964,25 3.964,26 1.569,27 5.985,28 3.941,29 0.06,30 1.762,31 6.764,32 10.418,33 13.199,34 5.283,35 4.239,36 4.281,37 5.028,38 6.022,39 -0.015,40 6.022,41 3.929,42 1.946,43 4.38,44 4.5,45 4.357,46 20.974,47 2.791,48 7.477,49 5.352,50 7.071,51 7.477,52 3.974,53 4.346,54 42.016,55 3.929,56 1.434,57 13.684,58 6.928,59 4.686} {0 CHEMBL191873,1 4.587,2 4.372,3 4.728,4 5.964,5 2.789,6 2.55,7 4.815,8 19.823,9 18.424,10 8.196,11 8.293,12 10.131,13 545199,14 5.379,15 5.875,16 8.685,17 9.001,18 360.664,19 2.47,20 21.697,21 5.458,22 3.302,23 7.706,24 3.964,25 3.964,26 2.584,27 6.315,28 3.925,29 -0.041,30 1.819,31 6.935,32 10.523,33 13.259,34 5.695,35 4.493,36 4.683,37 5.243,38 6.484,39 -0.015,40 6.484,41 3.967,42 2.068,43 4.527,44 4.847,45 4.721,46 14.63,47 2.721,48 7.988,49 5.7,50 7.205,51 7.988,52 3.976,53 4.534,54 50.661,55 3.929,56 1.222,57 19,58 10.193,59 5.886} {0 CHEMBL192063,1 4.655,2 4.75,3 4.804,4 6.12,5 2.747,6 2.67,7 4.906,8 22.174,9 18.575,10 8.313,11 8.132,12 10.443,13 768161,14 5.436,15 6.009,16 8.801,17 9.148,18 323.782,19 2.878,20 23.877,21 5.518,22 3.397,23 7.834,24 3.925,25 3.925,26 2.522,27 6.451,28 3.987,29 -0.148,30 1.779,31 7.052,32 10.647,33 13.38,34 5.735,35 4.785,36 4.758,37 5.334,38 6.744,39 -0.114,40 6.744,41 4.144,42 2.151,43 4.811,44 4.981,45 4.838,46 24.909,47 2.939,48 9.072,49 5.844,50 7.373,51 9.072,52 3.978,53 4.818,54 64.538,55 3.932,56 1.423,57 22.222,58 13.262,59 4.943} {0 CHEMBL192091,1 4.603,2 4.584,3 4.756,4 6.066,5 2.806,6 2.662,7 4.866,8 21.823,9 18.363,10 8.29,11 8.057,12 10.306,13 652131,14 5.424,15 5.969,16 8.774,17 9.109,18 335.733,19 2.761,20 23.586,21 5.506,22 3.377,23 7.817,24 3.924,25 3.924,26 2.563,27 6.39,28 3.94,29 -0.147,30 1.782,31 7.022,32 10.603,33 13.343,34 5.737,35 4.671,36 4.717,37 5.321,38 6.649,39 -0.071,40 6.649,41 4.11,42 2.105,43 4.755,44 4.957,45 4.812,46 19.24,47 2.932,48 9.071,49 5.808,50 7.336,51 9.071,52 3.978,53 4.721,54 58.906,55 3.932,56 1.342,57 20.962,58 11.933,59 4.943} {0 CHEMBL192105,1 4.129,2 3.92,3 4.286,4 5.595,5 2.062,6 2.548,7 4.437,8 14.826,9 16.042,10 7.936,11 6.771,12 9.272,13 186769,14 5.081,15 5.517,16 8.383,17 8.654,18 264.201,19 2.443,20 17.29,21 5.183,22 3.237,23 7.507,24 3.924,25 3.924,26 1.882,27 5.941,28 3.924,29 -0.206,30 1.73,31 6.755,32 10.391,33 13.173,34 5.448,35 3.984,36 4.258,37 4.95,38 5.411,39 0.003,40 5.411,41 3.95,42 1.877,43 4.298,44 4.591,45 4.419,46 10.854,47 2.764,48 8.332,49 5.398,50 7.059,51 8.332,52 3.975,53 4.128,54 39.929,55 3.928,56 1.245,57 16.65,58 7.417,59 4.401} {0 CHEMBL192379,1 4.861,2 4.648,3 5.009,4 6.176,5 3.806,6 2.744,7 5.065,8 28.035,9 18.591,10 8.367,11 8.192,12 10.4,13 718003,14 5.74,15 6.068,16 8.847,17 9.194,18 405.109,19 2.616,20 28.795,21 5.756,22 3.416,23 7.896,24 3.965,25 3.965,26 3.746,27 6.614,28 3.93,29 -0.049,30 1.788,31 7.071,32 10.7,33 13.488,34 6.001,35 4.727,36 4.925,37 5.616,38 7.413,39 -0.156,40 7.413,41 4.162,42 2.346,43 4.781,44 5.101,45 4.963,46 20.953,47 2.979,48 9.298,49 5.905,50 7.403,51 9.298,52 3.98,53 4.764,54 69.96,55 3.935,56 1.267,57 19.222,58 10.084,59 4.246} {0 CHEMBL192631,1 4.002,2 3.994,3 4.138,4 5.557,5 1.508,6 2.526,7 4.276,8 10.827,9 16.031,10 7.915,11 6.843,12 9.188,13 170107,14 4.785,15 5.476,16 8.38,17 8.636,18 278.21,19 2.608,20 13.417,21 4.917,22 3.199,23 7.477,24 3.924,25 3.924,26 1.38,27 5.861,28 3.94,29 0.06,30 1.745,31 6.759,32 10.416,33 13.194,34 5.144,35 4.092,36 4.128,37 5.021,38 6,39 -0.031,40 6,41 3.929,42 1.946,43 4.323,44 4.416,45 4.264,46 20.75,47 2.795,48 7.579,49 5.323,50 7.068,51 7.579,52 3.974,53 4.253,54 37.404,55 3.929,56 1.434,57 15.368,58 6.928,59 4.199} {0 CHEMBL192874,1 4.445,2 4.223,3 4.592,4 5.943,5 2.538,6 2.55,7 4.722,8 18.201,9 18.265,10 8.185,11 8.134,12 10.131,13 545199,14 5.295,15 5.849,16 8.674,17 8.999,18 360.664,19 2.526,20 20.061,21 5.371,22 3.361,23 7.695,24 3.924,25 3.924,26 2.411,27 6.227,28 3.925,29 -0.041,30 1.803,31 6.931,32 10.521,33 13.254,34 5.605,35 4.381,36 4.583,37 5.226,38 6.431,39 -0.038,40 6.431,41 3.967,42 2.068,43 4.478,44 4.788,45 4.657,46 14.479,47 2.74,48 8.033,49 5.68,50 7.202,51 8.033,52 3.976,53 4.458,54 46.183,55 3.929,56 1.222,57 20.75,58 10.193,59 4.75} {0 CHEMBL192972,1 4.695,2 4.756,3 4.856,4 6.057,5 3.011,6 2.683,7 4.97,8 24.407,9 18.575,10 8.236,11 8.112,12 10.463,13 838486,14 5.511,15 5.969,16 8.711,17 9.018,18 328.851,19 2.878,20 26.209,21 5.602,22 3.361,23 7.755,24 3.701,25 3.701,26 2.708,27 6.511,28 3.987,29 -0.142,30 1.775,31 7.026,32 10.634,33 13.358,34 5.827,35 4.816,36 4.816,37 5.411,38 6.946,39 -0.106,40 6.946,41 4.147,42 2.211,43 4.831,44 5.028,45 4.885,46 25.9,47 2.919,48 7.646,49 5.82,50 7.316,51 7.646,52 3.955,53 4.855,54 71.268,55 3.897,56 1.408,57 23.929,58 14.175,59 5.244} {0 CHEMBL192986,1 4.568,2 4.502,3 4.718,4 6.043,5 2.806,6 2.666,7 4.849,8 21.276,9 18.518,10 8.245,11 8.167,12 10.35,13 699855,14 5.411,15 5.932,16 8.731,17 9.075,18 335.733,19 2.823,20 23.635,21 5.505,22 3.394,23 7.765,24 3.924,25 3.924,26 2.621,27 6.376,28 3.977,29 -0.147,30 1.789,31 7.001,32 10.601,33 13.334,34 5.737,35 4.567,36 4.695,37 5.315,38 6.669,39 -0.142,40 6.669,41 4.136,42 2.137,43 4.66,44 4.935,45 4.791,46 18.763,47 2.918,48 9.069,49 5.771,50 7.296,51 9.069,52 3.977,53 4.646,54 60.573,55 3.931,56 1.342,57 22.154,58 11.933,59 5.699} {0 CHEMBL192987,1 4.194,2 3.935,3 4.371,4 5.485,5 2.301,6 2.626,7 4.537,8 16.71,9 16.044,10 7.823,11 6.737,12 9.307,13 208870,14 5.187,15 5.451,16 8.242,17 8.429,18 269.27,19 2.469,20 19.24,21 5.298,22 3.217,23 7.396,24 3.666,25 3.666,26 2.053,27 6.04,28 3.886,29 -0.196,30 1.724,31 6.72,32 10.374,33 13.146,34 5.569,35 4.052,36 4.352,37 5.14,38 6.264,39 -0.031,40 6.264,41 4.03,42 2.088,43 4.33,44 4.66,45 4.49,46 11.799,47 2.768,48 7.437,49 5.361,50 6.981,51 7.437,52 3.953,53 4.2,54 44.971,55 3.895,56 1.232,57 18.333,58 8.329,59 4.991} {0 CHEMBL193088,1 4.644,2 4.591,3 4.81,4 5.999,5 3.067,6 2.678,7 4.932,8 23.955,9 18.363,10 8.212,11 8.036,12 10.328,13 713536,14 5.501,15 5.927,16 8.68,17 8.973,18 340.802,19 2.765,20 25.78,21 5.59,22 3.335,23 7.737,24 3.672,25 3.672,26 2.748,27 6.455,28 3.902,29 -0.141,30 1.778,31 6.996,32 10.589,33 13.319,34 5.829,35 4.706,36 4.778,37 5.402,38 6.883,39 -0.073,40 6.883,41 4.115,42 2.191,43 4.776,44 5.005,45 4.86,46 20.243,47 2.914,48 7.635,49 5.784,50 7.277,51 7.635,52 3.955,53 4.762,54 65.053,55 3.897,56 1.329,57 22.667,58 12.846,59 5.456} {0 CHEMBL193153,1 4.406,2 4.34,3 4.56,4 5.714,5 2.25,6 2.548,7 4.635,8 18.294,9 16.391,10 8.02,11 6.965,12 9.426,13 222851,14 5.218,15 5.642,16 8.479,17 8.737,18 252.25,19 2.69,20 19.733,21 5.304,22 3.266,23 7.607,24 3.964,25 3.964,26 1.986,27 6.162,28 3.942,29 -0.208,30 1.739,31 6.825,32 10.45,33 13.233,34 5.55,35 4.461,36 4.478,37 5.056,38 6.037,39 0.018,40 6.037,41 3.95,42 1.949,43 4.556,44 4.722,45 4.563,46 16.61,47 2.89,48 8.333,49 5.493,50 7.159,51 8.333,52 3.975,53 4.483,54 51.452,55 3.93,56 1.391,57 15.095,58 8.746,59 5.018} {0 CHEMBL266946,1 4.163,2 4.11,3 4.294,4 5.517,5 1.669,6 2.567,7 4.346,8 11.96,9 16.062,10 7.695,11 6.79,12 9.272,13 199307,14 4.873,15 5.375,16 8.089,17 8.489,18 254.259,19 2.623,20 14.185,21 5.009,22 3.255,23 7.25,24 3.962,25 3.962,26 1.48,27 5.908,28 3.981,29 -0.082,30 1.732,31 6.604,32 10.144,33 12.688,34 5.234,35 4.186,36 4.202,37 5.076,38 6.177,39 0.212,40 6.177,41 4.021,42 1.945,43 4.449,44 4.5,45 4.356,46 21.512,47 2.76,48 7.481,49 5.273,50 6.827,51 7.481,52 3.958,53 4.391,54 42.715,55 3.915,56 1.406,57 17.905,58 10.113,59 5.585} {0 CHEMBL332621,1 4.61,2 4.598,3 4.742,4 5.82,5 2.75,6 2.795,7 4.795,8 21.244,9 14.956,10 7.67,11 5.486,12 9.47,13 222048,14 5.484,15 5.624,16 8.082,17 8.529,18 336.461,19 2.884,20 21.852,21 5.472,22 3.422,23 7.214,24 3.805,25 3.805,26 2.844,27 6.359,28 3.998,29 -0.262,30 1.579,31 6.696,32 10.248,33 12.728,34 5.692,35 4.621,36 4.652,37 5.266,38 6.574,39 -0.124,40 6.574,41 4.209,42 2.174,43 4.621,44 4.86,45 4.718,46 20.576,47 2.893,48 7.464,49 5.497,50 6.845,51 7.464,52 3.975,53 4.65,54 61.755,55 3.875,56 1.44,57 18.444,58 10.697,59 5.854} {0 CHEMBL341537,1 4.073,2 3.91,3 4.213,4 5.176,5 1.825,6 2.441,7 4.309,8 12.747,9 13.343,10 6.981,11 4.598,12 8.744,13 101374,14 5.025,15 5.069,16 7.407,17 7.778,18 216.403,19 2.202,20 13.544,21 5.016,22 3.004,23 6.491,24 3.643,25 3.643,26 1.836,27 5.851,28 3.863,29 -0.131,30 1.526,31 6.071,32 9.597,33 12.036,34 5.257,35 3.983,36 4.166,37 4.713,38 5.155,39 -0.067,40 5.155,41 3.928,42 1.696,43 3.988,44 4.322,45 4.2,46 10.396,47 2.606,48 6.826,49 4.927,50 6.147,51 6.826,52 3.93,53 4.025,54 33.194,55 3.812,56 1.3,57 10.3,58 3.855,59 4.606} {0 CHEMBL349948,1 3.706,2 3.41,3 3.881,4 4.727,5 1.373,6 2.461,7 4.017,8 9.477,9 11.853,10 6.715,11 4.164,12 7.689,13 27620,14 4.605,15 4.615,16 7.056,17 7.426,18 199.747,19 2.079,20 11.496,21 4.788,22 2.874,23 6.262,24 3.562,25 3.562,26 1.158,27 5.494,28 3.816,29 -0.129,30 1.541,31 6.001,32 9.57,33 12.001,34 5.071,35 3.542,36 3.835,37 4.773,38 5.347,39 -0.103,40 5.347,41 3.929,42 1.786,43 3.707,44 4.089,45 3.932,46 7.921,47 2.524,48 6.281,49 4.575,50 5.955,51 6.281,52 3.888,53 3.663,54 26.945,55 3.799,56 1.177,57 16,58 6.304,59 4} {0 CHEMBL350410,1 4.02,2 3.787,3 4.179,4 5.176,5 1.737,6 2.619,7 4.225,8 12.467,9 13.213,10 6.992,11 4.442,12 8.77,13 113104,14 4.932,15 5.106,16 7.325,17 7.674,18 206.049,19 2.25,20 13.21,21 5.013,22 3.076,23 6.585,24 3.615,25 3.615,26 1.607,27 5.691,28 3.843,29 -0.215,30 1.507,31 6.141,32 9.667,33 12.105,34 5.293,35 3.804,36 4.058,37 4.925,38 5.776,39 -0.073,40 5.776,41 4.011,42 1.969,43 4.046,44 4.36,45 4.188,46 11.479,47 2.731,48 7.103,49 5.03,50 6.235,51 7.103,52 3.918,53 3.923,54 34.062,55 3.82,56 1.236,57 19.368,58 6.578,59 4.699} {0 CHEMBL362961,1 4.003,2 3.751,3 4.165,4 5.342,5 1.814,6 2.615,7 4.324,8 12.4,9 15.82,10 7.711,11 6.767,12 9.054,13 155950,14 4.907,15 5.323,16 8.152,17 8.3,18 295.23,19 2.208,20 14.817,21 5.045,22 3.057,23 7.28,24 3.665,25 3.665,26 1.608,27 5.861,28 3.885,29 0.049,30 1.747,31 6.653,32 10.339,33 13.109,34 5.309,35 3.927,36 4.165,37 5.049,38 6.021,39 -0.038,40 6.021,41 4.021,42 1.976,43 4.105,44 4.423,45 4.267,46 15.183,47 2.641,48 7.178,49 5.198,50 6.875,51 7.178,52 3.952,53 4.015,54 34.834,55 3.894,56 1.258,57 16.842,58 6.512,59 4.097} {0 CHEMBL363060,1 4.027,2 4.019,3 4.146,4 5.485,5 1.414,6 2.567,7 4.204,8 10.525,9 15.905,10 7.691,11 6.633,12 9.272,13 199307,14 4.734,15 5.342,16 8.076,17 8.485,18 254.259,19 2.623,20 12.481,21 4.869,22 3.29,23 7.239,24 3.926,25 3.926,26 1.317,27 5.763,28 3.977,29 -0.082,30 1.715,31 6.598,32 10.142,33 12.68,34 5.089,35 4.06,36 4.054,37 5.048,38 6.099,39 0.195,40 6.099,41 4.021,42 1.945,43 4.396,44 4.416,45 4.262,46 21.354,47 2.778,48 7.616,49 5.263,50 6.823,51 7.616,52 3.958,53 4.302,54 38.274,55 3.915,56 1.406,57 19.619,58 10.113,59 5.469} {0 CHEMBL363612,1 4.233,2 4.186,3 4.399,4 5.673,5 2.004,6 2.548,7 4.522,8 16.601,9 16.233,10 8.007,11 6.808,12 9.426,13 222851,14 5.118,15 5.602,16 8.462,17 8.73,18 252.25,19 2.726,20 18.106,21 5.201,22 3.314,23 7.594,24 3.924,25 3.924,26 1.781,27 6.06,28 3.94,29 -0.208,30 1.722,31 6.82,32 10.448,33 13.228,34 5.445,35 4.346,36 4.353,37 5.043,38 6.007,39 0.003,40 6.007,41 3.95,42 1.949,43 4.508,44 4.655,45 4.488,46 16.419,47 2.889,48 8.37,49 5.468,50 7.156,51 8.37,52 3.976,53 4.402,54 46.938,55 3.93,56 1.391,57 16.81,58 8.746,59 4.686} {0 CHEMBL363853,1 4.543,2 4.221,3 4.738,4 5.911,5 3.359,6 2.633,7 4.901,8 24.142,9 16.892,10 7.964,11 6.663,12 10.229,13 645196,14 5.571,15 5.844,16 8.395,17 8.614,18 264.384,19 2.525,20 26.933,21 5.665,22 3.266,23 7.514,24 3.667,25 3.667,26 3.001,27 6.375,28 3.886,29 -0.14,30 1.651,31 6.787,32 10.39,33 13.154,34 5.933,35 4.42,36 4.719,37 5.215,38 6.427,39 -0.026,40 6.427,41 4.035,42 2.126,43 4.58,44 4.97,45 4.812,46 15.679,47 2.816,48 7.507,49 5.707,50 7.079,51 7.507,52 3.954,53 4.551,54 64.998,55 3.895,56 1.197,57 21.32,58 11.076,59 6.222} {0 CHEMBL364022,1 4.493,2 4.233,3 4.656,4 5.866,5 2.807,6 2.623,7 4.798,8 20.291,9 18.265,10 8.097,11 8.11,12 10.155,13 597144,14 5.382,15 5.802,16 8.57,17 8.846,18 365.733,19 2.546,20 22.209,21 5.467,22 3.325,23 7.604,24 3.666,25 3.666,26 2.603,27 6.303,28 3.886,29 -0.04,30 1.799,31 6.902,32 10.505,33 13.228,34 5.71,35 4.428,36 4.651,37 5.286,38 6.685,39 -0.055,40 6.685,41 4.03,42 2.19,43 4.505,44 4.845,45 4.714,46 15.463,47 2.746,48 7.43,49 5.652,50 7.135,51 7.43,52 3.954,53 4.51,54 51.856,55 3.895,56 1.215,57 22.44,58 11.105,59 5.638} {0 CHEMBL364023,1 4.555,2 4.294,3 4.724,4 5.911,5 3.124,6 2.676,7 4.876,8 22.626,9 18.3,10 8.137,11 8.07,12 10.23,13 645270,14 5.478,15 5.844,16 8.601,17 8.885,18 352.753,19 2.577,20 25.156,21 5.578,22 3.327,23 7.662,24 3.672,25 3.672,26 2.845,27 6.381,28 3.888,29 -0.139,30 1.789,31 6.942,32 10.54,33 13.269,34 5.831,35 4.468,36 4.716,37 5.394,38 6.868,39 -0.114,40 6.868,41 4.107,42 2.191,43 4.619,44 4.961,45 4.814,46 14.484,47 2.854,48 7.629,49 5.707,50 7.192,51 7.629,52 3.955,53 4.578,54 58.81,55 3.896,56 1.207,57 22.577,58 11.517,59 5.854} {0 CHEMBL364145,1 4.207,2 4.019,3 4.344,4 5.416,5 2.141,6 2.573,7 4.436,8 14.054,9 15.609,10 7.48,11 6.5,12 9.109,13 166379,14 5.058,15 5.298,16 7.886,17 8.274,18 299.487,19 2.301,20 16.284,21 5.185,22 3.19,23 7.058,24 3.769,25 3.769,26 1.901,27 5.965,28 3.888,29 -0.198,30 1.714,31 6.487,32 9.987,33 12.471,34 5.449,35 4.078,36 4.284,37 5.023,38 5.917,39 -0.093,40 5.917,41 3.997,42 1.948,43 4.279,44 4.573,45 4.42,46 9.954,47 2.68,48 7.504,49 5.187,50 6.602,51 7.504,52 3.944,53 4.191,54 40.263,55 3.871,56 1.24,57 18.952,58 7.931,59 6.398} {0 CHEMBL364174,1 3.82,2 3.614,3 3.965,4 5.004,5 1.565,6 2.366,7 4.03,8 9.595,9 12.321,10 6.74,11 4.069,12 8.252,13 55311,14 4.747,15 4.949,16 7.022,17 7.285,18 213.47,19 2.14,20 11.174,21 4.897,22 3.003,23 6.404,24 3.463,25 3.463,26 1.364,27 5.594,28 3.832,29 -0.268,30 1.493,31 6.035,32 9.59,33 12.027,34 5.187,35 3.663,36 3.866,37 3.957,38 3.358,39 -0.164,40 3.358,41 3.891,42 1.475,43 3.945,44 4.242,45 4.059,46 8.011,47 2.476,48 6.91,49 4.86,50 6.046,51 6.91,52 3.912,53 3.793,54 30.805,55 3.827,56 1.27,57 16.212,58 5.347,59 4} {0 CHEMBL364314,1 4.406,2 4.41,3 4.577,4 5.969,5 2.489,6 2.573,7 4.693,8 19.614,9 16.74,10 8.127,11 6.74,12 10,13 443791,14 5.285,15 5.894,16 8.579,17 8.859,18 237.225,19 2.747,20 21.387,21 5.395,22 3.344,23 7.685,24 3.924,25 3.924,26 2.126,27 6.188,28 3.94,29 -0.162,30 1.674,31 6.865,32 10.461,33 13.236,34 5.646,35 4.47,36 4.523,37 5.099,38 6.019,39 0.018,40 6.019,41 3.969,42 1.953,43 4.638,44 4.818,45 4.658,46 19.687,47 2.923,48 8.841,49 5.746,50 7.226,51 8.841,52 3.978,53 4.564,54 56.158,55 3.931,56 1.365,57 18.261,58 9.668,59 4.703} {0 CHEMBL364361,1 4.267,2 4.221,3 4.404,4 5.485,5 2.088,6 2.574,7 4.498,8 14.681,9 15.864,10 7.514,11 6.59,12 9.274,13 204417,14 5.074,15 5.338,16 7.92,17 8.33,18 287.536,19 2.672,20 17.146,21 5.202,22 3.296,23 7.092,24 3.799,25 3.799,26 1.858,27 6.061,28 3.966,29 -0.199,30 1.711,31 6.538,32 10.067,33 12.559,34 5.446,35 4.276,36 4.346,37 5.072,38 6.166,39 -0.132,40 6.166,41 4.019,42 2.002,43 4.368,44 4.608,45 4.459,46 15.1,47 2.886,48 7.51,49 5.231,50 6.677,51 7.51,52 3.947,53 4.351,54 48.472,55 3.878,56 1.383,57 20.273,58 9.26,59 5.824} {0 CHEMBL364425,1 4.725,2 4.69,3 4.871,4 6.094,5 3.056,6 2.662,7 4.947,8 23.34,9 18.522,10 8.3,11 8.216,12 10.306,13 652131,14 5.498,15 5.996,16 8.786,17 9.114,18 335.733,19 2.744,20 25.238,21 5.582,22 3.312,23 7.827,24 3.964,25 3.964,26 2.74,27 6.465,28 3.942,29 -0.147,30 1.797,31 7.026,32 10.605,33 13.347,34 5.816,35 4.756,36 4.805,37 5.35,38 6.708,39 -0.056,40 6.708,41 4.11,42 2.105,43 4.793,44 5.007,45 4.867,46 19.476,47 2.962,48 9.201,49 5.826,50 7.338,51 9.201,52 3.978,53 4.78,54 63.442,55 3.932,56 1.342,57 19.192,58 11.933,59 5.509} {0 CHEMBL364654,1 3.942,2 3.77,3 4.074,4 5.263,5 1.509,6 2.547,7 4.085,8 10.53,9 13.207,10 7.236,11 4.483,12 8.725,13 100147,14 4.793,15 5.176,16 7.617,17 8.011,18 200.98,19 2.223,20 11.299,21 4.857,22 3.082,23 6.819,24 3.692,25 3.692,26 1.437,27 5.548,28 3.867,29 -0.227,30 1.514,31 6.203,32 9.703,33 12.181,34 5.129,35 3.716,36 3.93,37 4.462,38 4.543,39 -0.008,40 4.543,41 3.928,42 1.719,43 4.003,44 4.266,45 4.09,46 10.618,47 2.716,48 7.584,49 5.081,50 6.394,51 7.584,52 3.932,53 3.827,54 29.138,55 3.833,56 1.252,57 17.722,58 5.665,59 4.955} {0 CHEMBL364692,1 4.772,2 4.84,3 4.915,4 6.146,5 2.998,6 2.67,7 4.984,8 23.493,9 18.734,10 8.323,11 8.292,12 10.443,13 768161,14 5.509,15 6.035,16 8.814,17 9.153,18 323.782,19 2.878,20 25.569,21 5.594,22 3.351,23 7.844,24 3.964,25 3.964,26 2.695,27 6.521,28 3.987,29 -0.148,30 1.794,31 7.056,32 10.649,33 13.384,34 5.814,35 4.861,36 4.843,37 5.363,38 6.803,39 -0.101,40 6.803,41 4.144,42 2.151,43 4.847,44 5.029,45 4.892,46 25.186,47 2.973,48 9.206,49 5.861,50 7.375,51 9.206,52 3.978,53 4.872,54 69.234,55 3.932,56 1.423,57 20.444,58 13.262,59 5.244} {0 CHEMBL365193,1 3.728,2 3.485,3 3.886,4 4.949,5 1.324,6 2.231,7 3.881,8 8.753,9 10.29,10 6.193,11 2.246,12 8.044,13 41999,14 4.691,15 4.89,16 6.36,17 6.496,18 120.031,19 1.855,20 9.026,21 4.822,22 2.765,23 5.952,24 3.131,25 3.131,26 1.213,27 5.404,28 3.755,29 -0.303,30 1.279,31 5.604,32 9.141,33 11.555,34 5.133,35 3.473,36 3.702,37 3.809,38 2.835,39 -0.139,40 2.835,41 3.677,42 1.166,43 3.765,44 4.09,45 3.887,46 8.585,47 2.407,48 6.662,49 4.796,50 5.673,51 6.662,52 3.869,53 3.585,54 27.944,55 3.746,56 1.25,57 14.621,58 3.994,59 4.009} {0 CHEMBL365345,1 4.267,2 4.056,3 4.411,4 5.572,5 2.128,6 2.536,7 4.5,8 15.058,9 16.133,10 7.931,11 6.986,12 9.147,13 161119,14 5.089,15 5.513,16 8.386,17 8.629,18 295.23,19 2.375,20 17.248,21 5.2,22 3.225,23 7.497,24 3.964,25 3.964,26 1.929,27 6.03,28 3.924,29 0.049,30 1.764,31 6.761,32 10.443,33 13.243,34 5.457,35 4.129,36 4.349,37 5.18,38 6.175,39 -0.124,40 6.175,41 3.936,42 1.991,43 4.251,44 4.582,45 4.423,46 16.283,47 2.614,48 7.845,49 5.361,50 7.068,51 7.845,52 3.975,53 4.175,54 40.416,55 3.929,56 1.258,57 13.632,58 6.572,59 4.924} {0 CHEMBL366224,1 4.497,2 4.21,3 4.68,4 5.984,5 3.125,6 2.568,7 4.832,8 22.284,9 16.891,10 8.064,11 6.685,12 10.206,13 589295,14 5.499,15 5.889,16 8.518,17 8.804,18 259.315,19 2.497,20 25.012,21 5.587,22 3.297,23 7.613,24 3.924,25 3.924,26 2.836,27 6.305,28 3.925,29 -0.146,30 1.655,31 6.819,32 10.407,33 13.182,34 5.85,35 4.374,36 4.655,37 5.088,38 5.845,39 0.02,40 5.845,41 3.965,42 1.931,43 4.555,44 4.919,45 4.761,46 14.864,47 2.822,48 8.789,49 5.733,50 7.15,51 8.789,52 3.976,53 4.5,54 60.037,55 3.929,56 1.207,57 19.625,58 10.164,59 5.658} {0 CHEMBL370040,1 3.923,2 3.734,3 4.059,4 5.468,5 1.565,6 2.525,7 4.198,8 10.351,9 15.819,10 7.837,11 6.805,12 9.014,13 138737,14 4.764,15 5.398,16 8.305,17 8.551,18 290.161,19 2.19,20 12.799,21 4.894,22 3.06,23 7.403,24 3.924,25 3.924,26 1.424,27 5.742,28 3.922,29 0.056,30 1.755,31 6.69,32 10.358,33 13.137,34 5.148,35 3.849,36 4.05,37 4.648,38 4.828,39 -0.031,40 4.828,41 3.926,42 1.829,43 4.064,44 4.335,45 4.178,46 14.238,47 2.617,48 7.577,49 5.242,50 6.962,51 7.577,52 3.973,53 3.927,54 29.535,55 3.927,56 1.272,57 15.167,58 5.599,59 4.091} {0 CHEMBL370057,1 4.152,2 3.966,3 4.28,4 5.485,5 1.811,6 2.525,7 4.351,8 12.082,9 15.976,10 7.853,11 6.962,12 9.014,13 138737,14 4.902,15 5.438,16 8.321,17 8.548,18 290.161,19 2.15,20 14.422,21 5.031,22 3.02,23 7.419,24 3.963,25 3.963,26 1.619,27 5.88,28 3.922,29 0.056,30 1.772,31 6.695,32 10.36,33 13.143,34 5.286,35 4.033,36 4.215,37 4.653,38 4.831,39 -0.012,40 4.831,41 3.926,42 1.829,43 4.137,44 4.426,45 4.279,46 14.38,47 2.55,48 7.473,49 5.273,50 6.965,51 7.473,52 3.973,53 4.053,54 34.011,55 3.927,56 1.272,57 13.5,58 5.599,59 5.921} {0 CHEMBL370289,1 4.456,2 4.419,3 4.641,4 5.894,5 2.728,6 2.634,7 4.771,8 21.633,9 16.741,10 8.034,11 6.716,12 10.025,13 489036,14 5.372,15 5.849,16 8.465,17 8.681,18 242.294,19 2.754,20 23.425,21 5.489,22 3.309,23 7.594,24 3.667,25 3.667,26 2.299,27 6.267,28 3.902,29 -0.155,30 1.67,31 6.835,32 10.445,33 13.21,34 5.747,35 4.512,36 4.596,37 5.229,38 6.502,39 -0.001,40 6.502,41 4.036,42 2.141,43 4.662,44 4.874,45 4.715,46 20.565,47 2.908,48 7.528,49 5.72,50 7.16,51 7.528,52 3.955,53 4.611,54 61.856,55 3.897,56 1.348,57 19.958,58 10.58,59 6} {0 CHEMBL370702,1 4.791,2 4.696,3 4.946,4 6.213,5 3.505,6 2.749,7 5.029,8 27.09,9 18.637,10 8.377,11 8.107,12 10.53,13 839577,14 5.691,15 6.08,16 8.862,17 9.233,18 393.157,19 2.877,20 27.887,21 5.703,22 3.456,23 7.901,24 3.925,25 3.925,26 3.5,27 6.603,28 3.98,29 -0.048,30 1.77,31 7.096,32 10.739,33 13.517,34 5.934,35 4.757,36 4.883,37 5.612,38 7.457,39 -0.185,40 7.457,41 4.187,42 2.367,43 4.8,44 5.078,45 4.937,46 26.322,47 2.94,48 9.082,49 5.916,50 7.436,51 9.082,52 3.98,53 4.802,54 72.281,55 3.934,56 1.386,57 22.25,58 11.413,59 4.336} {0 CHEMBL370712,1 4.319,2 4.117,3 4.465,4 5.638,5 2.306,6 2.548,7 4.559,8 16.735,9 16.2,10 7.951,11 6.928,12 9.272,13 186769,14 5.184,15 5.553,16 8.398,17 8.661,18 264.201,19 2.375,20 18.905,21 5.287,22 3.171,23 7.52,24 3.964,25 3.964,26 2.092,27 6.055,28 3.924,29 -0.206,30 1.747,31 6.76,32 10.393,33 13.178,34 5.552,35 4.146,36 4.394,37 4.963,38 5.434,39 0.025,40 5.434,41 3.95,42 1.877,43 4.356,44 4.662,45 4.5,46 10.956,47 2.741,48 8.291,49 5.425,50 7.062,51 8.291,52 3.974,53 4.233,54 44.403,55 3.928,56 1.245,57 14.95,58 7.417,59 5.357} {0 CHEMBL372223,1 4.611,2 4.51,3 4.774,4 5.974,5 3.068,6 2.681,7 4.917,8 23.359,9 18.518,10 8.163,11 8.146,12 10.372,13 764292,14 5.488,15 5.889,16 8.634,17 8.934,18 340.802,19 2.819,20 25.821,21 5.59,22 3.361,23 7.681,24 3.698,25 3.698,26 2.805,27 6.442,28 3.975,29 -0.141,30 1.785,31 6.974,32 10.587,33 13.31,34 5.829,35 4.606,36 4.757,37 5.403,38 6.925,39 -0.14,40 6.925,41 4.139,42 2.21,43 4.683,44 4.985,45 4.84,46 19.745,47 2.906,48 7.641,49 5.746,50 7.234,51 7.641,52 3.955,53 4.69,54 66.514,55 3.896,56 1.329,57 23.852,58 12.846,59 5.319} {0 CHEMBL372448,1 4.695,2 4.617,3 4.838,4 6.071,5 3.056,6 2.666,7 4.932,8 22.793,9 18.677,10 8.256,11 8.327,12 10.35,13 699855,14 5.486,15 5.956,16 8.742,17 9.081,18 335.733,19 2.819,20 25.286,21 5.582,22 3.351,23 7.776,24 3.964,25 3.964,26 2.798,27 6.452,28 3.978,29 -0.147,30 1.804,31 7.005,32 10.603,33 13.338,34 5.815,35 4.661,36 4.785,37 5.347,38 6.743,39 -0.127,40 6.743,41 4.136,42 2.137,43 4.701,44 4.986,45 4.847,46 18.933,47 2.937,48 9.177,49 5.79,50 7.298,51 9.177,52 3.977,53 4.71,54 65.109,55 3.931,56 1.342,57 20.385,58 11.933,59 5.678} {0 CHEMBL372473,1 4.292,2 4.197,3 4.475,4 5.572,5 2.245,6 2.626,7 4.614,8 18.596,9 16.234,10 7.902,11 6.776,12 9.459,13 248536,14 5.221,15 5.541,16 8.332,17 8.524,18 257.319,19 2.737,20 20.171,21 5.314,22 3.29,23 7.494,24 3.667,25 3.667,26 1.954,27 6.148,28 3.902,29 -0.198,30 1.716,31 6.787,32 10.431,33 13.202,34 5.567,35 4.394,36 4.439,37 5.176,38 6.416,39 -0.01,40 6.416,41 4.03,42 2.118,43 4.534,44 4.72,45 4.554,46 17.387,47 2.887,48 7.462,49 5.434,50 7.085,51 7.462,52 3.954,53 4.458,54 52.714,55 3.896,56 1.372,57 18.5,58 9.658,59 5.046} {0 CHEMBL372647,1 4.826,2 4.702,3 4.991,4 6.146,5 3.752,6 2.75,7 5.086,8 29.064,9 18.638,10 8.305,11 8.088,12 10.55,13 916046,14 5.75,15 6.043,16 8.776,17 9.107,18 398.226,19 2.876,20 29.988,21 5.772,22 3.441,23 7.828,24 3.723,25 3.723,26 3.671,27 6.655,28 3.978,29 -0.048,30 1.767,31 7.071,32 10.726,33 13.498,34 6.011,35 4.789,36 4.934,37 5.624,38 7.471,39 -0.178,40 7.471,41 4.187,42 2.374,43 4.819,44 5.121,45 4.98,46 27.289,47 2.917,48 7.704,49 5.894,50 7.382,51 7.704,52 3.957,53 4.84,54 78.24,55 3.899,56 1.371,57 23.966,58 12.325,59 4.24} {0 CHEMBL372667,1 4.632,2 4.361,3 4.804,4 6.014,5 3.369,6 2.568,7 4.916,8 24.306,9 17.049,10 8.076,11 6.843,12 10.206,13 589295,14 5.568,15 5.914,16 8.531,17 8.811,18 259.315,19 2.424,20 26.628,21 5.658,22 3.225,23 7.626,24 3.964,25 3.964,26 3.053,27 6.386,28 3.925,29 -0.146,30 1.67,31 6.824,32 10.409,33 13.187,34 5.921,35 4.486,36 4.748,37 5.106,38 5.884,39 0.034,40 5.884,41 3.965,42 1.931,43 4.601,44 4.971,45 4.819,46 15.011,47 2.814,48 8.76,49 5.753,50 7.153,51 8.76,52 3.976,53 4.573,54 64.529,55 3.929,56 1.207,57 17.875,58 10.164,59 6.301} {0 CHEMBL372679,1 4.746,2 4.52,3 4.903,4 6.155,5 3.562,6 2.744,7 4.993,8 26.179,9 18.432,10 8.355,11 8.032,12 10.4,13 718003,14 5.682,15 6.043,16 8.835,17 9.192,18 405.109,19 2.665,20 27.179,21 5.692,22 3.446,23 7.886,24 3.925,25 3.925,26 3.538,27 6.552,28 3.929,29 -0.049,30 1.772,31 7.068,32 10.699,33 13.484,34 5.936,35 4.64,36 4.847,37 5.606,38 7.401,39 -0.168,40 7.401,41 4.162,42 2.346,43 4.743,44 5.056,45 4.913,46 20.692,47 2.936,48 9.082,49 5.883,50 7.401,51 9.082,52 3.98,53 4.703,54 65.489,55 3.934,56 1.267,57 21,58 10.084,59 4.017} {0 CHEMBL434153,1 3.667,2 3.484,3 3.811,4 4.92,5 1.24,6 2.374,7 3.854,8 8.237,9 11.294,10 6.782,11 3.329,12 7.965,13 37632,14 4.558,15 4.86,16 7.098,17 7.454,18 156.703,19 1.84,20 9.032,21 4.698,22 2.728,23 6.385,24 3.574,25 3.574,26 1.118,27 5.338,28 3.791,29 -0.293,30 1.418,31 5.888,32 9.403,33 11.844,34 4.993,35 3.46,36 3.69,37 4.436,38 4.457,39 -0.008,40 4.457,41 3.762,42 1.637,43 3.793,44 4.052,45 3.872,46 8.736,47 2.369,48 6.352,49 4.796,50 6.005,51 6.352,52 3.872,53 3.607,54 25.054,55 3.776,56 1.273,57 14.733,58 4.147,59 4.62} {0 CHEMBL436108,1 4.51,2 4.284,3 4.664,4 5.984,5 2.865,6 2.659,7 4.806,8 20.626,9 18.299,10 8.221,11 8.092,12 10.207,13 589369,14 5.399,15 5.889,16 8.701,17 9.033,18 347.684,19 2.551,20 23.086,21 5.492,22 3.366,23 7.748,24 3.924,25 3.924,26 2.661,27 6.311,28 3.926,29 -0.145,30 1.793,31 6.97,32 10.555,33 13.294,34 5.739,35 4.423,36 4.652,37 5.302,38 6.573,39 -0.1,40 6.573,41 4.1,42 2.091,43 4.595,44 4.91,45 4.763,46 13.499,47 2.869,48 9.068,49 5.733,50 7.256,51 9.068,52 3.977,53 4.529,54 53.377,55 3.93,56 1.215,57 20.88,58 10.605,59 5.523}