"molecule_id","Eig02_EA.bo.","SM12_AEA.ri.","PW4","Eig01_EA.bo.","SM11_AEA.ri.","SpMax_EA.bo.","Eig03_AEA.ed.","Eig03_EA.ed.","PW3","SM12_AEA.dm.","SpDiam_AEA.ri.","SpDiam_EA.ed.","Eig01_AEA.bo.","SM14_EA.bo.","SM15_EA.bo.","SpMax_AEA.bo.","SpMax2_Bh.v.","ZM2Kup","SM05_EA.bo.","SM07_EA.bo.","SM09_EA.bo.","X3A","SM10_EA.bo.","SM11_EA.bo.","SM12_EA.bo.","SM13_EA.bo.","Eig01_AEA.ri.","SpMax_AEA.ri.","Eig01_EA.ri.","SpDiam_EA.ri.","SpMax_EA.ri.","GGI10","SpDiam_AEA.bo.","Eig01_AEA.ed.","Eig01_EA","Eig01_EA.ed.","SM04_EA.ed.","SM05_EA.ed.","SM06_EA.ed.","SM07_AEA.ed.","SM07_EA.ed.","SM08_AEA.ed.","SM08_EA","SM08_EA.ed.","SM09_AEA.bo.","SM09_AEA.ed.","SM09_EA","SM09_EA.ed.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_EA","SM10_EA.ed.","SM11_AEA.ed.","SM11_EA","SM11_EA.ed.","SM12_AEA.ed.","SM12_EA","SM12_EA.ed.","pXC50"
{1 3.707,2 3.707,3 0.181,4 4.161,5 4.161,6 4.161,7 5.975,8 8.323,9 0.342,10 8.323,11 5.215,12 18.333,13 4.517,14 20.162,15 21.557,16 4.517,17 3.754,18 311.579,19 7.518,20 10.355,21 13.152,22 0.185,23 14.609,24 15.946,25 17.371,26 18.747,27 4.11,28 4.11,29 2.997,30 4.937,31 2.997,32 0.192,33 5.517,34 6.76,35 3.159,36 11.024,37 10.492,38 12.273,39 14.883,40 14.179,41 17.008,42 15.992,43 9.829,44 19.466,45 3.159,46 17.82,47 10.807,48 21.738,49 11.024,50 19.66,51 11.967,52 24.149,53 21.509,54 13.023,55 26.487,56 23.365,57 14.156,58 28.885,59 5.636}
{0 CHEMBL1695,1 3.707,2 3.707,3 0.181,4 4.161,5 4.161,6 4.161,7 5.975,8 8.323,9 0.342,10 8.323,11 5.215,12 18.333,13 4.517,14 20.162,15 21.557,16 4.517,17 3.754,18 311.579,19 7.518,20 10.355,21 13.152,22 0.185,23 14.609,24 15.946,25 17.371,26 18.747,27 4.11,28 4.11,29 2.997,30 4.937,31 2.997,32 0.192,33 5.517,34 6.76,35 3.159,36 11.024,37 10.492,38 12.273,39 14.883,40 14.179,41 17.008,42 15.992,43 9.829,44 19.466,45 3.159,46 17.82,47 10.807,48 21.738,49 11.024,50 19.66,51 11.967,52 24.149,53 21.509,54 13.023,55 26.487,56 23.365,57 14.156,58 28.885,59 7.174}
{0 CHEMBL363892,1 3.046,2 3.046,3 0.167,4 3.817,5 3.817,6 3.817,7 5.055,8 6.087,9 0.311,10 6.087,11 5.075,12 17.488,13 4.342,14 18.853,15 20.113,16 4.342,17 3.579,18 297.294,19 6.875,20 9.512,21 12.145,22 0.201,23 13.662,24 14.791,25 16.238,26 17.448,27 4.052,28 4.052,29 3.014,30 5.014,31 3.014,32 0.037,33 5.265,34 6.596,35 3.072,36 10.387,37 10.056,38 11.741,39 14.366,40 13.756,41 16.416,42 15.547,43 9.381,44 18.873,45 3.072,46 17.356,47 10.315,48 21.085,49 10.387,50 19.179,51 11.47,52 23.474,53 21.013,54 12.498,55 25.757,56 22.857,57 13.622,58 28.119,59 5.484}
{0 CHEMBL366270,1 3.046,2 3.046,3 0.167,4 3.817,5 3.817,6 3.817,7 5.055,8 6.087,9 0.311,10 6.087,11 5.075,12 17.488,13 4.342,14 18.853,15 20.113,16 4.342,17 3.579,18 297.294,19 6.875,20 9.512,21 12.145,22 0.201,23 13.662,24 14.791,25 16.238,26 17.448,27 4.052,28 4.052,29 3.014,30 5.014,31 3.014,32 0.037,33 5.265,34 6.596,35 3.072,36 10.387,37 10.056,38 11.741,39 14.366,40 13.756,41 16.416,42 15.547,43 9.381,44 18.873,45 3.072,46 17.356,47 10.315,48 21.085,49 10.387,50 19.179,51 11.47,52 23.474,53 21.013,54 12.498,55 25.757,56 22.857,57 13.622,58 28.119,59 5.599}
{0 CHEMBL536101,1 3.707,2 3.707,3 0.181,4 4.161,5 4.161,6 4.161,7 5.975,8 8.323,9 0.339,10 8.323,11 5.205,12 18.333,13 4.517,14 20.162,15 21.557,16 4.517,17 3.754,18 365.784,19 7.518,20 10.355,21 13.152,22 0.186,23 14.609,24 15.946,25 17.371,26 18.747,27 4.1,28 4.1,29 2.964,30 4.903,31 2.964,32 0.182,33 5.517,34 6.759,35 3.159,36 11.024,37 10.495,38 12.273,39 14.884,40 14.182,41 17.008,42 15.994,43 9.833,44 19.466,45 3.159,46 17.821,47 10.807,48 21.738,49 11.024,50 19.66,51 11.969,52 24.149,53 21.509,54 13.023,55 26.487,56 23.365,57 14.156,58 28.885,59 7.387}
{0 CHEMBL538530,1 3.298,2 3.298,3 0.17,4 3.727,5 3.727,6 3.727,7 5.247,8 6.529,9 0.313,10 6.529,11 5.011,12 16.907,13 4.246,14 18.715,15 19.862,16 4.246,17 3.743,18 331.937,19 6.813,20 9.446,21 12.052,22 0.196,23 13.689,24 14.654,25 16.185,26 17.257,27 3.95,28 3.95,29 2.839,30 4.839,31 2.839,32 0.111,33 5.246,34 6.498,35 3.006,36 10.173,37 10.191,38 11.855,39 14.427,40 13.873,41 16.463,42 15.647,43 9.534,44 18.858,45 3.006,46 17.439,47 10.384,48 21.048,49 10.173,50 19.245,51 11.569,52 23.384,53 21.06,54 12.538,55 25.64,56 22.882,57 13.663,58 27.957,59 5.523}
{0 CHEMBL538770,1 3.562,2 3.562,3 0.171,4 4.009,5 4.009,6 4.009,7 5.448,8 7.128,9 0.321,10 7.128,11 5.092,12 17.088,13 4.403,14 19.681,15 20.991,16 4.403,17 3.762,18 371.05,19 7.348,20 10.082,21 12.801,22 0.19,23 14.339,24 15.523,25 16.991,26 18.253,27 4.027,28 4.027,29 3.005,30 5.005,31 3.005,32 0.198,33 5.403,34 6.514,35 3.037,36 10.251,37 10.322,38 11.957,39 14.535,40 14.002,41 16.544,42 15.768,43 9.667,44 18.948,45 3.037,46 17.551,47 10.549,48 21.127,49 10.251,50 19.346,51 11.709,52 23.471,53 21.153,54 12.693,55 25.726,56 22.968,57 13.808,58 28.051,59 6.697}
{0 CHEMBL538782,1 3.665,2 3.665,3 0.178,4 4.133,5 4.133,6 4.133,7 5.975,8 8.276,9 0.331,10 8.276,11 5.204,12 18.3,13 4.502,14 20.072,15 21.435,16 4.502,17 3.78,18 338.416,19 7.432,20 10.246,21 13.04,22 0.19,23 14.574,24 15.834,25 17.306,26 18.631,27 4.145,28 4.145,29 3.144,30 5.144,31 3.144,32 0.116,33 5.502,34 6.755,35 3.145,36 11.012,37 10.503,38 12.26,39 14.88,40 14.186,41 16.995,42 15.994,43 9.822,44 19.457,45 3.145,46 17.818,47 10.763,48 21.726,49 11.012,50 19.655,51 11.939,52 24.137,53 21.502,54 12.974,55 26.473,56 23.357,57 14.113,58 28.87,59 6.943}
{0 CHEMBL539028,1 3.797,2 3.797,3 0.176,4 4.179,5 4.179,6 4.179,7 5.975,8 8.464,9 0.332,10 8.464,11 5.213,12 18.373,13 4.525,14 20.292,15 21.669,16 4.525,17 3.757,18 492.658,19 7.663,20 10.457,21 13.246,22 0.187,23 14.759,24 16.044,25 17.508,26 18.852,27 4.147,28 4.147,29 3.102,30 5.102,31 3.102,32 0.248,33 5.525,34 6.765,35 3.166,36 11.059,37 10.605,38 12.329,39 14.955,40 14.287,41 17.049,42 16.084,43 9.932,44 19.517,45 3.166,46 17.898,47 10.884,48 21.778,49 11.059,50 19.726,51 12.049,52 24.193,53 21.565,54 13.09,55 26.529,56 23.414,57 14.225,58 28.929,59 7.292}
{0 CHEMBL539284,1 3.799,2 3.799,3 0.176,4 4.174,5 4.174,6 4.174,7 5.975,8 8.464,9 0.332,10 8.464,11 5.223,12 18.364,13 4.521,14 20.325,15 21.695,16 4.521,17 3.786,18 439.991,19 7.735,20 10.535,21 13.316,22 0.187,23 14.822,24 16.1,25 17.556,26 18.893,27 4.157,28 4.157,29 3.148,30 5.148,31 3.148,32 0.264,33 5.442,34 6.761,35 3.162,36 11.037,37 10.604,38 12.326,39 14.949,40 14.287,41 17.04,42 16.084,43 9.931,44 19.506,45 3.162,46 17.898,47 10.882,48 21.763,49 11.037,50 19.725,51 12.046,52 24.177,53 21.563,54 13.086,55 26.509,56 23.411,57 14.22,58 28.908,59 7.102}
{0 CHEMBL539539,1 3.298,2 3.298,3 0.175,4 3.943,5 3.943,6 3.943,7 5.247,8 6.529,9 0.32,10 6.529,11 5.042,12 16.907,13 4.369,14 19.357,15 20.637,16 4.369,17 3.743,18 292.779,19 7.016,20 9.758,21 12.476,22 0.193,23 14.07,24 15.192,25 16.692,26 17.912,27 4.006,28 4.006,29 3.006,30 5.006,31 3.006,32 0.165,33 5.369,34 6.498,35 3.006,36 10.173,37 10.18,38 11.855,39 14.425,40 13.863,41 16.463,42 15.641,43 9.519,44 18.857,45 3.006,46 17.435,47 10.384,48 21.048,49 10.173,50 19.242,51 11.562,52 23.384,53 21.058,54 12.538,55 25.64,56 22.882,57 13.66,58 27.957,59 7}
{0 CHEMBL539546,1 3.638,2 3.638,3 0.176,4 4.096,5 4.096,6 4.096,7 5.733,8 7.707,9 0.33,10 7.707,11 5.164,12 17.823,13 4.467,14 19.947,15 21.309,16 4.467,17 3.769,18 364.384,19 7.437,20 10.228,21 12.993,22 0.188,23 14.484,24 15.757,25 17.199,26 18.529,27 4.076,28 4.076,29 3.018,30 5.018,31 3.018,32 0.193,33 5.467,34 6.662,35 3.106,36 10.703,37 10.413,38 12.128,39 14.725,40 14.096,41 16.803,42 15.888,43 9.754,44 19.239,45 3.106,46 17.695,47 10.687,48 21.475,49 10.703,50 19.516,51 11.848,52 23.859,53 21.346,54 12.871,55 26.165,56 23.186,57 13.996,58 28.534,59 6.583}
{0 CHEMBL539775,1 3.298,2 3.298,3 0.175,4 3.943,5 3.943,6 3.943,7 5.247,8 6.529,9 0.32,10 6.529,11 5.066,12 16.907,13 4.369,14 19.357,15 20.637,16 4.369,17 3.743,18 317.325,19 7.016,20 9.758,21 12.476,22 0.193,23 14.07,24 15.192,25 16.692,26 17.912,27 4.002,28 4.002,29 2.995,30 4.995,31 2.995,32 0.165,33 5.369,34 6.498,35 3.006,36 10.173,37 10.18,38 11.855,39 14.425,40 13.863,41 16.463,42 15.641,43 9.519,44 18.857,45 3.006,46 17.435,47 10.384,48 21.048,49 10.173,50 19.242,51 11.562,52 23.384,53 21.058,54 12.538,55 25.64,56 22.882,57 13.66,58 27.957,59 6.983}
{0 CHEMBL540051,1 3.794,2 3.794,3 0.175,4 4.184,5 4.184,6 4.184,7 5.975,8 8.464,9 0.333,10 8.464,11 5.217,12 18.38,13 4.529,14 20.301,15 21.68,16 4.529,17 3.756,18 492.658,19 7.663,20 10.457,21 13.248,22 0.187,23 14.761,24 16.049,25 17.514,26 18.86,27 4.15,28 4.15,29 3.105,30 5.105,31 3.105,32 0.231,33 5.529,34 6.769,35 3.17,36 11.08,37 10.607,38 12.332,39 14.961,40 14.287,41 17.057,42 16.085,43 9.933,44 19.528,45 3.17,46 17.899,47 10.885,48 21.792,49 11.08,50 19.728,51 12.052,52 24.21,53 21.567,54 13.094,55 26.548,56 23.416,57 14.231,58 28.951,59 6.747}
{0 CHEMBL540052,1 3.799,2 3.799,3 0.176,4 4.174,5 4.174,6 4.174,7 5.975,8 8.464,9 0.332,10 8.464,11 5.182,12 18.364,13 4.521,14 20.283,15 21.658,16 4.521,17 3.757,18 518.318,19 7.663,20 10.457,21 13.244,22 0.187,23 14.756,24 16.04,25 17.502,26 18.844,27 4.136,28 4.136,29 3.076,30 5.076,31 3.076,32 0.264,33 5.521,34 6.761,35 3.162,36 11.037,37 10.604,38 12.326,39 14.949,40 14.287,41 17.04,42 16.084,43 9.931,44 19.506,45 3.162,46 17.898,47 10.882,48 21.763,49 11.037,50 19.725,51 12.046,52 24.177,53 21.563,54 13.086,55 26.509,56 23.411,57 14.22,58 28.908,59 6.987}
{0 CHEMBL540076,1 3.298,2 3.298,3 0.169,4 3.727,5 3.727,6 3.727,7 5.247,8 6.529,9 0.311,10 6.529,11 4.986,12 16.907,13 4.246,14 18.715,15 19.862,16 4.246,17 3.749,18 316.3,19 6.813,20 9.446,21 12.052,22 0.197,23 13.689,24 14.654,25 16.185,26 17.257,27 3.95,28 3.95,29 2.839,30 4.839,31 2.839,32 0.062,33 5.246,34 6.498,35 3.006,36 10.173,37 10.195,38 11.855,39 14.428,40 13.876,41 16.463,42 15.649,43 9.539,44 18.858,45 3.006,46 17.441,47 10.384,48 21.048,49 10.173,50 19.245,51 11.572,52 23.384,53 21.06,54 12.538,55 25.64,56 22.883,57 13.664,58 27.957,59 5.888}
{0 CHEMBL540308,1 3.685,2 3.685,3 0.18,4 4.148,5 4.148,6 4.148,7 5.975,8 8.299,9 0.336,10 8.299,11 5.204,12 18.317,13 4.51,14 20.118,15 21.498,16 4.51,17 3.767,18 365.384,19 7.476,20 10.301,21 13.098,22 0.187,23 14.592,24 15.891,25 17.339,26 18.691,27 4.118,28 4.118,29 3.051,30 5.051,31 3.051,32 0.19,33 5.51,34 6.757,35 3.152,36 11.018,37 10.497,38 12.267,39 14.882,40 14.183,41 17.002,42 15.993,43 9.825,44 19.462,45 3.152,46 17.819,47 10.785,48 21.732,49 11.018,50 19.658,51 11.953,52 24.143,53 21.505,54 12.999,55 26.48,56 23.361,57 14.134,58 28.877,59 7.081}
{0 CHEMBL540309,1 3.638,2 3.638,3 0.176,4 4.096,5 4.096,6 4.096,7 5.733,8 7.707,9 0.33,10 7.707,11 5.164,12 17.823,13 4.467,14 19.947,15 21.309,16 4.467,17 3.769,18 364.384,19 7.437,20 10.228,21 12.993,22 0.188,23 14.484,24 15.757,25 17.199,26 18.529,27 4.076,28 4.076,29 3.018,30 5.018,31 3.018,32 0.193,33 5.467,34 6.662,35 3.106,36 10.703,37 10.413,38 12.128,39 14.725,40 14.096,41 16.803,42 15.888,43 9.754,44 19.239,45 3.106,46 17.695,47 10.687,48 21.475,49 10.703,50 19.516,51 11.848,52 23.859,53 21.346,54 12.871,55 26.165,56 23.186,57 13.996,58 28.534,59 6.106}
{0 CHEMBL540825,1 3.298,2 3.298,3 0.174,4 3.943,5 3.943,6 3.943,7 5.247,8 6.529,9 0.318,10 6.529,11 5.031,12 16.907,13 4.369,14 19.357,15 20.637,16 4.369,17 3.743,18 346.984,19 7.016,20 9.758,21 12.476,22 0.194,23 14.07,24 15.192,25 16.692,26 17.912,27 3.993,28 3.993,29 2.967,30 4.967,31 2.967,32 0.083,33 5.369,34 6.498,35 3.006,36 10.173,37 10.184,38 11.855,39 14.426,40 13.866,41 16.463,42 15.643,43 9.524,44 18.858,45 3.006,46 17.437,47 10.384,48 21.048,49 10.173,50 19.243,51 11.565,52 23.384,53 21.059,54 12.538,55 25.64,56 22.882,57 13.661,58 27.957,59 5.125}
{0 CHEMBL540827,1 3.47,2 3.47,3 0.177,4 4.063,5 4.063,6 4.063,7 5.671,8 7.423,9 0.327,10 7.423,11 5.133,12 17.74,13 4.449,14 19.776,15 21.112,16 4.449,17 3.751,18 345.188,19 7.245,20 10.031,21 12.797,22 0.191,23 14.353,24 15.563,25 17.045,26 18.335,27 4.068,28 4.068,29 3.021,30 5.021,31 3.021,32 0.182,33 5.449,34 6.656,35 3.089,36 10.673,37 10.353,38 12.078,39 14.678,40 14.036,41 16.763,42 15.832,43 9.679,44 19.199,45 3.089,46 17.645,47 10.591,48 21.439,49 10.673,50 19.469,51 11.767,52 23.822,53 21.304,54 12.779,55 26.129,56 23.147,57 13.911,58 28.496,59 7.921}
{0 CHEMBL541053,1 3.298,2 3.298,3 0.174,4 3.727,5 3.727,6 3.727,7 5.247,8 6.529,9 0.318,10 6.529,11 5.065,12 16.907,13 4.246,14 18.715,15 19.862,16 4.246,17 3.743,18 300.416,19 6.813,20 9.446,21 12.052,22 0.194,23 13.688,24 14.654,25 16.184,26 17.257,27 4.006,28 4.006,29 3.004,30 5.004,31 3.004,32 0.083,33 5.246,34 6.498,35 3.006,36 10.173,37 10.184,38 11.855,39 14.426,40 13.866,41 16.463,42 15.643,43 9.524,44 18.858,45 3.006,46 17.437,47 10.384,48 21.048,49 10.173,50 19.243,51 11.565,52 23.384,53 21.059,54 12.538,55 25.64,56 22.882,57 13.661,58 27.957,59 7.26}
{0 CHEMBL541073,1 3.685,2 3.685,3 0.18,4 4.148,5 4.148,6 4.148,7 5.975,8 8.299,9 0.336,10 8.299,11 5.204,12 18.317,13 4.51,14 20.118,15 21.498,16 4.51,17 3.767,18 365.384,19 7.476,20 10.301,21 13.098,22 0.187,23 14.592,24 15.891,25 17.339,26 18.691,27 4.118,28 4.118,29 3.051,30 5.051,31 3.051,32 0.19,33 5.51,34 6.757,35 3.152,36 11.018,37 10.497,38 12.267,39 14.882,40 14.183,41 17.002,42 15.993,43 9.825,44 19.462,45 3.152,46 17.819,47 10.785,48 21.732,49 11.018,50 19.658,51 11.953,52 24.143,53 21.505,54 12.999,55 26.48,56 23.361,57 14.134,58 28.877,59 7.106}
{0 CHEMBL541093,1 3.448,2 3.448,3 0.174,4 3.727,5 3.727,6 3.727,7 5.247,8 6.529,9 0.318,10 6.529,11 5.065,12 16.907,13 4.246,14 18.902,15 20.066,16 4.246,17 3.754,18 314.416,19 6.975,20 9.647,21 12.272,22 0.194,23 13.868,24 14.877,25 16.372,26 17.473,27 4.006,28 4.006,29 3.004,30 5.004,31 3.004,32 0.083,33 5.211,34 6.498,35 3.006,36 10.173,37 10.184,38 11.855,39 14.426,40 13.866,41 16.463,42 15.643,43 9.524,44 18.858,45 3.006,46 17.437,47 10.384,48 21.048,49 10.173,50 19.243,51 11.565,52 23.384,53 21.059,54 12.538,55 25.64,56 22.882,57 13.661,58 27.957,59 7.319}
{0 CHEMBL541580,1 3.562,2 3.562,3 0.171,4 4.009,5 4.009,6 4.009,7 5.448,8 7.128,9 0.321,10 7.128,11 5.095,12 17.088,13 4.403,14 19.756,15 21.061,16 4.403,17 3.752,18 417.991,19 7.446,20 10.194,21 12.911,22 0.19,23 14.437,24 15.623,25 17.079,26 18.338,27 4.03,28 4.03,29 3.014,30 5.014,31 3.014,32 0.198,33 5.324,34 6.514,35 3.037,36 10.251,37 10.322,38 11.957,39 14.535,40 14.002,41 16.544,42 15.768,43 9.667,44 18.948,45 3.037,46 17.551,47 10.549,48 21.127,49 10.251,50 19.346,51 11.709,52 23.471,53 21.153,54 12.693,55 25.726,56 22.968,57 13.808,58 28.051,59 6.461}
{0 CHEMBL541861,1 3.298,2 3.298,3 0.175,4 3.727,5 3.727,6 3.727,7 5.247,8 6.529,9 0.32,10 6.529,11 4.986,12 16.907,13 4.246,14 18.715,15 19.862,16 4.246,17 3.743,18 300.3,19 6.813,20 9.446,21 12.052,22 0.193,23 13.688,24 14.654,25 16.184,26 17.257,27 3.951,28 3.951,29 2.839,30 4.839,31 2.839,32 0.165,33 5.246,34 6.498,35 3.006,36 10.173,37 10.18,38 11.855,39 14.425,40 13.863,41 16.463,42 15.641,43 9.519,44 18.857,45 3.006,46 17.435,47 10.384,48 21.048,49 10.173,50 19.242,51 11.562,52 23.384,53 21.058,54 12.538,55 25.64,56 22.882,57 13.66,58 27.957,59 5.584}
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{0 CHEMBL542233,1 3.298,2 3.298,3 0.172,4 3.727,5 3.727,6 3.727,7 5.247,8 6.529,9 0.315,10 6.529,11 4.986,12 16.907,13 4.246,14 18.715,15 19.862,16 4.246,17 3.745,18 308.3,19 6.813,20 9.446,21 12.052,22 0.195,23 13.689,24 14.654,25 16.184,26 17.257,27 3.95,28 3.95,29 2.839,30 4.839,31 2.839,32 0.078,33 5.246,34 6.498,35 3.006,36 10.173,37 10.188,38 11.855,39 14.426,40 13.869,41 16.463,42 15.645,43 9.529,44 18.858,45 3.006,46 17.438,47 10.384,48 21.048,49 10.173,50 19.244,51 11.567,52 23.384,53 21.059,54 12.538,55 25.64,56 22.882,57 13.662,58 27.957,59 6.181}
{0 CHEMBL542241,1 3.298,2 3.298,3 0.17,4 3.943,5 3.943,6 3.943,7 5.247,8 6.529,9 0.313,10 6.529,11 5.042,12 16.907,13 4.369,14 19.357,15 20.637,16 4.369,17 3.747,18 304.779,19 7.016,20 9.758,21 12.476,22 0.196,23 14.071,24 15.192,25 16.693,26 17.912,27 4.006,28 4.006,29 3.006,30 5.006,31 3.006,32 0.111,33 5.369,34 6.498,35 3.006,36 10.173,37 10.191,38 11.855,39 14.427,40 13.873,41 16.463,42 15.647,43 9.534,44 18.858,45 3.006,46 17.439,47 10.384,48 21.048,49 10.173,50 19.245,51 11.569,52 23.384,53 21.06,54 12.538,55 25.64,56 22.882,57 13.663,58 27.957,59 5.867}
{0 CHEMBL542458,1 3.685,2 3.685,3 0.18,4 4.148,5 4.148,6 4.148,7 5.975,8 8.299,9 0.336,10 8.299,11 5.204,12 18.317,13 4.51,14 20.118,15 21.498,16 4.51,17 3.767,18 365.384,19 7.476,20 10.301,21 13.098,22 0.187,23 14.592,24 15.891,25 17.339,26 18.691,27 4.118,28 4.118,29 3.051,30 5.051,31 3.051,32 0.19,33 5.51,34 6.757,35 3.152,36 11.018,37 10.497,38 12.267,39 14.882,40 14.183,41 17.002,42 15.993,43 9.825,44 19.462,45 3.152,46 17.819,47 10.785,48 21.732,49 11.018,50 19.658,51 11.953,52 24.143,53 21.505,54 12.999,55 26.48,56 23.361,57 14.134,58 28.877,59 6.889}
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{0 CHEMBL542610,1 3.298,2 3.298,3 0.175,4 3.727,5 3.727,6 3.727,7 5.247,8 6.528,9 0.323,10 6.528,11 5.051,12 16.907,13 4.246,14 18.715,15 19.862,16 4.246,17 3.743,18 297.325,19 6.813,20 9.446,21 12.052,22 0.192,23 13.688,24 14.654,25 16.184,26 17.257,27 3.979,28 3.979,29 2.924,30 4.924,31 2.924,32 0.132,33 5.246,34 6.498,35 3.007,36 10.173,37 10.177,38 11.855,39 14.424,40 13.86,41 16.463,42 15.639,43 9.514,44 18.857,45 3.007,46 17.434,47 10.384,48 21.048,49 10.173,50 19.241,51 11.56,52 23.384,53 21.058,54 12.538,55 25.64,56 22.881,57 13.659,58 27.958,59 5.852}
{0 CHEMBL542642,1 3.298,2 3.298,3 0.175,4 3.943,5 3.943,6 3.943,7 5.247,8 6.529,9 0.32,10 6.529,11 5.036,12 16.907,13 4.369,14 19.357,15 20.637,16 4.369,17 3.743,18 342.984,19 7.016,20 9.758,21 12.476,22 0.193,23 14.07,24 15.192,25 16.692,26 17.912,27 3.993,28 3.993,29 2.967,30 4.967,31 2.967,32 0.165,33 5.369,34 6.498,35 3.006,36 10.173,37 10.18,38 11.855,39 14.425,40 13.863,41 16.463,42 15.641,43 9.519,44 18.857,45 3.006,46 17.435,47 10.384,48 21.048,49 10.173,50 19.242,51 11.562,52 23.384,53 21.058,54 12.538,55 25.64,56 22.882,57 13.66,58 27.957,59 6.863}
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{0 CHEMBL542703,1 3.799,2 3.799,3 0.185,4 4.174,5 4.174,6 4.174,7 6.023,8 8.476,9 0.337,10 8.476,11 5.198,12 18.364,13 4.521,14 20.288,15 21.662,16 4.521,17 3.786,18 455.003,19 7.672,20 10.469,21 13.255,22 0.184,23 14.765,24 16.048,25 17.509,26 18.851,27 4.151,28 4.151,29 3.127,30 5.127,31 3.127,32 0.281,33 5.521,34 6.761,35 3.162,36 11.037,37 10.685,38 12.459,39 15.088,40 14.365,41 17.207,42 16.18,43 9.998,44 19.672,45 3.162,46 18.01,47 10.971,48 21.936,49 11.037,50 19.853,51 12.141,52 24.344,53 21.705,54 13.196,55 26.671,56 23.565,57 14.335,58 29.06,59 6.389}
{0 CHEMBL542934,1 3.602,2 3.602,3 0.176,4 4.081,5 4.081,6 4.081,7 5.715,8 7.635,9 0.327,10 7.635,11 5.131,12 17.794,13 4.459,14 19.895,15 21.236,16 4.459,17 3.77,18 380.847,19 7.391,20 10.167,21 12.928,22 0.19,23 14.463,24 15.69,25 17.16,26 18.46,27 4.086,28 4.086,29 3.06,30 5.06,31 3.06,32 0.198,33 5.459,34 6.66,35 3.099,36 10.696,37 10.415,38 12.12,39 14.722,40 14.097,41 16.794,42 15.887,43 9.745,44 19.233,45 3.099,46 17.693,47 10.662,48 21.466,49 10.696,50 19.512,51 11.83,52 23.851,53 21.342,54 12.843,55 26.157,56 23.181,57 13.971,58 28.525,59 7.032}
{0 CHEMBL542960,1 3.47,2 3.47,3 0.176,4 4.063,5 4.063,6 4.063,7 5.671,8 7.423,9 0.325,10 7.423,11 5.148,12 17.74,13 4.449,14 19.776,15 21.112,16 4.449,17 3.76,18 327.416,19 7.245,20 10.031,21 12.797,22 0.192,23 14.353,24 15.563,25 17.045,26 18.335,27 4.089,28 4.089,29 3.088,30 5.088,31 3.088,32 0.099,33 5.449,34 6.656,35 3.089,36 10.673,37 10.356,38 12.078,39 14.678,40 14.039,41 16.763,42 15.834,43 9.684,44 19.199,45 3.089,46 17.646,47 10.591,48 21.439,49 10.673,50 19.47,51 11.769,52 23.822,53 21.305,54 12.779,55 26.129,56 23.147,57 13.912,58 28.496,59 6.627}
{0 CHEMBL542965,1 3.298,2 3.298,3 0.174,4 3.943,5 3.943,6 3.943,7 5.247,8 6.529,9 0.318,10 6.529,11 5.065,12 16.907,13 4.369,14 19.357,15 20.637,16 4.369,17 3.743,18 316.416,19 7.016,20 9.758,21 12.476,22 0.194,23 14.07,24 15.192,25 16.692,26 17.912,27 4.006,28 4.006,29 3.004,30 5.004,31 3.004,32 0.083,33 5.369,34 6.498,35 3.006,36 10.173,37 10.184,38 11.855,39 14.426,40 13.866,41 16.463,42 15.643,43 9.524,44 18.858,45 3.006,46 17.437,47 10.384,48 21.048,49 10.173,50 19.243,51 11.565,52 23.384,53 21.059,54 12.538,55 25.64,56 22.882,57 13.661,58 27.957,59 6.588}
{0 CHEMBL543107,1 3.298,2 3.298,3 0.174,4 3.727,5 3.727,6 3.727,7 5.247,8 6.529,9 0.318,10 6.529,11 5.024,12 16.907,13 4.246,14 18.715,15 19.862,16 4.246,17 3.743,18 323.937,19 6.813,20 9.446,21 12.052,22 0.194,23 13.688,24 14.654,25 16.184,26 17.257,27 3.95,28 3.95,29 2.837,30 4.837,31 2.837,32 0.083,33 5.246,34 6.498,35 3.006,36 10.173,37 10.184,38 11.855,39 14.426,40 13.866,41 16.463,42 15.643,43 9.524,44 18.858,45 3.006,46 17.437,47 10.384,48 21.048,49 10.173,50 19.243,51 11.565,52 23.384,53 21.059,54 12.538,55 25.64,56 22.882,57 13.661,58 27.957,59 7.046}
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{0 CHEMBL558617,1 3.638,2 3.638,3 0.176,4 4.096,5 4.096,6 4.096,7 5.733,8 7.707,9 0.33,10 7.707,11 5.164,12 17.823,13 4.467,14 19.947,15 21.309,16 4.467,17 3.769,18 364.384,19 7.437,20 10.228,21 12.993,22 0.188,23 14.484,24 15.757,25 17.199,26 18.529,27 4.076,28 4.076,29 3.018,30 5.018,31 3.018,32 0.193,33 5.467,34 6.662,35 3.106,36 10.703,37 10.413,38 12.128,39 14.725,40 14.096,41 16.803,42 15.888,43 9.754,44 19.239,45 3.106,46 17.695,47 10.687,48 21.475,49 10.703,50 19.516,51 11.848,52 23.859,53 21.346,54 12.871,55 26.165,56 23.186,57 13.996,58 28.534,59 5.062}
{0 CHEMBL558816,1 3.696,2 3.696,3 0.19,4 4.147,5 4.147,6 4.147,7 5.975,8 8.464,9 0.34,10 8.464,11 5.227,12 18.542,13 4.516,14 20.178,15 21.54,16 4.516,17 3.794,18 365.325,19 7.546,20 10.375,21 13.168,22 0.186,23 14.691,24 15.954,25 17.417,26 18.743,27 4.162,28 4.162,29 3.157,30 5.157,31 3.157,32 0.198,33 5.437,34 6.788,35 3.164,36 11.178,37 10.585,38 12.374,39 14.993,40 14.248,41 17.131,42 16.061,43 9.878,44 19.598,45 3.164,46 17.891,47 10.827,48 21.884,49 11.178,50 19.732,51 12.006,52 24.304,53 21.583,54 13.048,55 26.655,56 23.442,57 14.19,58 29.063,59 7.328}
{0 CHEMBL76768,1 1.993,2 1.993,3 0.139,4 3.431,5 3.431,6 3.431,7 3.286,8 2.234,9 0.303,10 2.234,11 4.765,12 13.599,13 4.089,14 17.271,15 18.484,16 4.089,17 3.075,18 113.793,19 5.943,20 8.52,21 11.039,22 0.216,23 12.375,24 13.531,25 14.817,26 16.011,27 3.729,28 3.729,29 2.712,30 4.65,31 2.712,33 5.005,34 5.912,35 2.732,36 8.139,37 8.713,38 10.275,39 12.713,40 12.531,41 14.591,42 14.276,43 8.168,44 16.829,45 2.732,46 16.032,47 8.983,48 18.834,49 8.139,50 17.795,51 10.114,52 20.99,53 19.564,54 11.023,55 23.048,56 21.335,57 12.092,58 25.17,59 5.619}
{0 CHEMBL77484,1 1.882,2 1.882,3 0.139,4 3.035,5 3.035,6 3.035,7 3.286,8 2.234,9 0.303,10 2.234,11 4.765,12 13.599,13 3.888,14 15.549,15 16.652,16 3.888,17 3.116,18 99.793,19 5.398,20 7.708,21 9.965,22 0.216,23 11.136,24 12.201,25 13.337,26 14.428,27 3.729,28 3.729,29 2.712,30 4.65,31 2.712,33 4.888,34 5.912,35 2.732,36 8.139,37 8.713,38 10.275,39 12.713,40 12.531,41 14.591,42 14.276,43 8.168,44 16.829,45 2.732,46 16.032,47 8.983,48 18.834,49 8.139,50 17.795,51 10.114,52 20.99,53 19.564,54 11.023,55 23.048,56 21.335,57 12.092,58 25.17,59 5.575}
{0 CHEMBL77575,1 1.882,2 1.882,3 0.139,4 3.035,5 3.035,6 3.035,7 3.286,8 2.234,9 0.303,10 2.234,11 4.765,12 13.599,13 3.888,14 15.549,15 16.652,16 3.888,17 3.116,18 99.793,19 5.398,20 7.708,21 9.965,22 0.216,23 11.136,24 12.201,25 13.337,26 14.428,27 3.729,28 3.729,29 2.712,30 4.65,31 2.712,33 4.888,34 5.912,35 2.732,36 8.139,37 8.713,38 10.275,39 12.713,40 12.531,41 14.591,42 14.276,43 8.168,44 16.829,45 2.732,46 16.032,47 8.983,48 18.834,49 8.139,50 17.795,51 10.114,52 20.99,53 19.564,54 11.023,55 23.048,56 21.335,57 12.092,58 25.17,59 5.631}
{0 CHEMBL96,1 1.414,2 1.414,3 0.085,4 2.709,5 2.709,6 2.709,7 2,8 0.271,9 0.209,10 0.271,11 4.02,12 9.213,13 3.549,14 13.961,15 14.945,16 3.549,17 3.023,18 73.089,19 4.796,20 6.889,21 8.928,22 0.284,23 9.999,24 10.943,25 11.975,26 12.947,27 3.233,28 3.233,29 2.213,30 3.983,31 2.213,33 4.303,34 4.655,35 2.228,36 5.17,37 6.948,38 7.879,39 10.075,40 10.84,41 11.306,42 12.355,43 6.581,44 13.276,45 2.228,46 13.878,47 7.086,48 14.671,49 5.17,50 15.405,51 8.118,52 16.511,53 16.935,54 8.733,55 18.002,56 18.468,57 9.681,58 19.766,59 5.635}